smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Br)cc1Br	ZINC000070135761	1066464396	/nfs/dbraw/zinc/46/43/96/1066464396.db2.gz	TUPIQIDMVVWHST-UHFFFAOYSA-N	-1	3	500.006	4.784	20	0		KJADHM
CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nc4cc(Cl)ccc4c(=O)n3CCCOC)nc(=O)c2c1C	ZINC000514375335	1066426058	/nfs/dbraw/zinc/42/60/58/1066426058.db2.gz	ONQPVVQGVABHMV-CYBMUJFWSA-N	-1	3	549.074	4.723	20	0		KJADHM
CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nc4cc(Cl)ccc4c(=O)n3CCCOC)nc(=O)c2c1C	ZINC000514375337	1066426099	/nfs/dbraw/zinc/42/60/99/1066426099.db2.gz	ONQPVVQGVABHMV-ZDUSSCGKSA-N	-1	3	549.074	4.723	20	0		KJADHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(OCC(=O)N4CCCCC4)c(OCC)c3)c2)cc1	ZINC000514380751	1066425576	/nfs/dbraw/zinc/42/55/76/1066425576.db2.gz	PCITVAZMYDZVGJ-UHFFFAOYSA-N	-1	3	611.717	4.937	20	0		KJADHM
Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CSc3nnc(NC[C@@H]4CCCO4)s3)nc(=O)c12	ZINC000514390083	1067171327	/nfs/dbraw/zinc/17/13/27/1067171327.db2.gz	XFPNVTNSDRBYID-HNNXBMFYSA-N	-1	3	542.712	4.897	20	0		KJADHM
Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CSc3nnc(NC[C@H]4CCCO4)s3)nc(=O)c12	ZINC000514390084	1067171357	/nfs/dbraw/zinc/17/13/57/1067171357.db2.gz	XFPNVTNSDRBYID-OAHLLOKOSA-N	-1	3	542.712	4.897	20	0		KJADHM
CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nnc(N4CCCCC4)n3Cc3ccco3)nc(=O)c2c1C	ZINC000514392938	1066455467	/nfs/dbraw/zinc/45/54/67/1066455467.db2.gz	IEESWMAEKIFMJW-HNNXBMFYSA-N	-1	3	528.660	4.546	20	0		KJADHM
CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nnc(N4CCCCC4)n3Cc3ccco3)nc(=O)c2c1C	ZINC000514392939	1066455535	/nfs/dbraw/zinc/45/55/35/1066455535.db2.gz	IEESWMAEKIFMJW-OAHLLOKOSA-N	-1	3	528.660	4.546	20	0		KJADHM
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1	ZINC000916506015	1066482867	/nfs/dbraw/zinc/48/28/67/1066482867.db2.gz	SKQKPPYEPBXUTC-UHFFFAOYSA-N	-1	3	500.005	4.721	20	0		KJADHM