smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(C(c2ccc(Br)cc2)c2c(O)nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000013765347	553488964	/nfs/dbraw/zinc/48/89/64/553488964.db2.gz	FVJUWVLINFGROX-UHFFFAOYSA-N	-1	2	507.391	2.365	50	0		KEAALM
COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4sc(C(=O)[O-])c(C)c4c(=O)[nH]3)cc2)nc(OC)n1	ZINC000059735445	554427301	/nfs/dbraw/zinc/42/73/01/554427301.db2.gz	YYWYJGQNPIQWDE-UHFFFAOYSA-N	-1	2	592.637	2.330	50	0		KEAALM
COc1ccc([C@H](c2c([O-])[nH]c(=O)n(-c3ccccc3)c2=O)c2c(=O)[nH]c(=O)n(-c3ccccc3)c2O)cc1CN1CCOCC1	ZINC000102543559	1066215842	/nfs/dbraw/zinc/21/58/42/1066215842.db2.gz	MWRJIXWHGFVYAG-UHFFFAOYSA-N	-1	2	625.638	2.210	50	0		KEAALM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)NCCCC(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])c1ccccc1	ZINC000150457778	571505031	/nfs/dbraw/zinc/50/50/31/571505031.db2.gz	YJARLRDMSCVERT-JADSYQMUSA-N	-1	2	794.283	2.492	50	0		KEAALM
Cc1c(C)[n+]([O-])c([C@H](c2ccc(OCC(=O)[O-])cc2)c2c(O)n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263588777	572126548	/nfs/dbraw/zinc/12/65/48/572126548.db2.gz	YFZIIFSOCWNMBR-JOCHJYFZSA-N	-1	2	520.542	2.049	50	0		KEAALM
Cc1c(C)[n+]([O-])c([C@@H](c2ccc(OCC(=O)[O-])cc2)c2c(O)n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263588778	572126657	/nfs/dbraw/zinc/12/66/57/572126657.db2.gz	YFZIIFSOCWNMBR-QFIPXVFZSA-N	-1	2	520.542	2.049	50	0		KEAALM