*** Number of conditions per collection *** (duplicate compounds are counted multiple times)

All screened conditions

Collection	N
RIKEN NPDepo	9850
GSK-KI	384
NCI-MECH-DIV	909
NCI-NP	117
NCI-ONC	113
NCI-STRUCT-DIV	1772
NIHCC	816
POSCON-CLINICAL-2013	5
All	13966


Final dataset conditions

Collection	N
RIKEN NPDepo	8418
GSK-KI	326
NCI-MECH-DIV	824
NCI-NP	86
NCI-ONC	97
NCI-STRUCT-DIV	1487
NIHCC	740
POSCON-CLINICAL-2013	5
All	11983


High confidence conditions

Collection	N
RIKEN NPDepo	848
GSK-KI	105
NCI-MECH-DIV	144
NCI-NP	22
NCI-ONC	23
NCI-STRUCT-DIV	242
NIHCC	133
POSCON-CLINICAL-2013	5
All	1522


*** Number of uniquely named compounds per collection *** (duplicate compounds are counted once)

All screened unique compounds

Collection	N
RIKEN NPDepo	9844
GSK-KI	326
NCI-MECH-DIV	821
NCI-NP	117
NCI-ONC	101
NCI-STRUCT-DIV	1599
NIHCC	720
POSCON-CLINICAL-2013	5
All	13431


Final dataset unique compounds

Collection	N
RIKEN NPDepo	8414
GSK-KI	299
NCI-MECH-DIV	778
NCI-NP	86
NCI-ONC	95
NCI-STRUCT-DIV	1403
NIHCC	686
POSCON-CLINICAL-2013	5
All	11687


High confidence unique compounds

Collection	N
RIKEN NPDepo	848
GSK-KI	105
NCI-MECH-DIV	144
NCI-NP	22
NCI-ONC	23
NCI-STRUCT-DIV	237
NIHCC	129
POSCON-CLINICAL-2013	5
All	1504