smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/N=C2/S/C(=C/c3ccc([O-])c(Cl)c3)C(=O)N2C)cc1	ZINC000005905026	206198939	/nfs/dbraw/zinc/19/89/39/206198939.db2.gz	MAORBJNTYAZFIF-WOLOTKMDSA-N	-1	1	374.849	4.288	10	30		FIEEMM
O=S(=O)([N-]c1ccc(F)cc1)c1ccc(/N=C/c2ccccc2)cc1	ZINC000006222652	204240427	/nfs/dbraw/zinc/24/04/27/204240427.db2.gz	YEQMJNOHNCMNTI-KGENOOAVSA-N	-1	1	354.406	4.377	10	30		FIEEMM
Cc1ccc(NC(=CC(=O)c2ccccc2)C(=O)[O-])cc1Br	ZINC000033296909	263395534	/nfs/dbraw/zinc/39/55/34/263395534.db2.gz	GFGAGWFQMWVVMU-GDNBJRDFSA-N	-1	1	360.207	4.021	10	30		FIEEMM
C=CCn1c(COc2c(C)cc(Br)cc2C)n[n-]c1=S	ZINC000064871899	221155017	/nfs/dbraw/zinc/15/50/17/221155017.db2.gz	XWRBCIDVNPPBLG-UHFFFAOYSA-N	-1	1	354.273	4.085	10	30		FIEEMM
C=CCn1c(=S)[n-]nc1COc1ccc(Cl)cc1Br	ZINC000064872298	221154609	/nfs/dbraw/zinc/15/46/09/221154609.db2.gz	SQTWUNXNAGLLPJ-UHFFFAOYSA-N	-1	1	360.664	4.122	10	30		FIEEMM
CCCCOc1ccccc1NC(=CC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000034798434	520911114	/nfs/dbraw/zinc/91/11/14/520911114.db2.gz	MOMAVBDWZFQOLR-JXAWBTAJSA-N	-1	1	353.418	4.437	10	30		FIEEMM
Cc1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)o1	ZINC000100143189	222237298	/nfs/dbraw/zinc/23/72/98/222237298.db2.gz	VYLBHPPMKGVVKD-UDWIEESQSA-N	-1	1	358.394	4.279	10	30		FIEEMM
CCOc1cc(/C=N/[O-])cc(Cl)c1OC(=O)c1cccc(Cl)c1	ZINC000253566488	520644773	/nfs/dbraw/zinc/64/47/73/520644773.db2.gz	JAADAFUMOWDXKJ-DJKKODMXSA-N	-1	1	354.189	4.419	10	30		FIEEMM