smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)S/C1=C/c1cc(Br)c([O-])c(Br)c1	ZINC000001084655	206350795	/nfs/dbraw/zinc/35/07/95/206350795.db2.gz	NFDKYEDDYDKYIA-XVNBXDOJSA-N	-2	1	395.097	3.406	50	10		GGCAML
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000001187062	206365582	/nfs/dbraw/zinc/36/55/82/206365582.db2.gz	UFXIJBPWWMCOEZ-WUXMJOGZSA-N	-2	1	377.183	3.365	50	10		GGCAML
O=C([O-])c1ccc(Cn2cc(/C=C3/SC(=S)[N-]C3=O)c3ccccc32)o1	ZINC000004738607	570953275	/nfs/dbraw/zinc/95/32/75/570953275.db2.gz	ULVXROFTXRJOPQ-VIZOYTHASA-N	-2	1	384.438	3.470	50	10		GGCAML
Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])cc2C)cc1	ZINC000004735783	204070894	/nfs/dbraw/zinc/07/08/94/204070894.db2.gz	WZSVCCYTGFQDHD-UHFFFAOYSA-N	-2	1	376.463	3.079	50	10		GGCAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)c1	ZINC000006269491	204173163	/nfs/dbraw/zinc/17/31/63/204173163.db2.gz	ZKNMJBZSLDLYAV-UHFFFAOYSA-N	-2	1	376.463	3.079	50	10		GGCAML
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc([O-])c(Cl)c1	ZINC000001174920	136196266	/nfs/dbraw/zinc/19/62/66/136196266.db2.gz	AVLKBAWCWSHDLM-WUXMJOGZSA-N	-2	1	387.735	3.461	50	10		GGCAML
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000001173915	564184981	/nfs/dbraw/zinc/18/49/81/564184981.db2.gz	KVGVUMWPHGIOFR-KPKJPENVSA-N	-2	1	377.183	3.365	50	10		GGCAML
Cc1cc([O-])c(Sc2nc[nH]n2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000004735772	564206135	/nfs/dbraw/zinc/20/61/35/564206135.db2.gz	ZERINNQYDAONIS-UHFFFAOYSA-N	-2	1	396.881	3.424	50	10		GGCAML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)c(C)c1	ZINC000013116653	221262044	/nfs/dbraw/zinc/26/20/44/221262044.db2.gz	UJLQVWZVDZIKMB-UHFFFAOYSA-N	-2	1	390.490	3.388	50	10		GGCAML
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000004725033	136196612	/nfs/dbraw/zinc/19/66/12/136196612.db2.gz	NAOHXCJCZOBATI-JXMROGBWSA-N	-2	1	377.183	3.365	50	10		GGCAML