smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H]1NC(C2=C([O-])c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000013865042	563013606	/nfs/dbraw/zinc/01/36/06/563013606.db2.gz	IKQRYDBQZGXJIW-KEYYUXOJSA-N	-3	1	436.807	2.519	1	30		IFEFML
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000026375843	563031055	/nfs/dbraw/zinc/03/10/55/563031055.db2.gz	HXEMIYGPQJHYER-LLVKDONJSA-N	-2	1	441.849	2.826	1	30		IFEFML
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C([O-])=NS(=O)(=O)c1ccc(Cl)cc1	ZINC000026375843	563031057	/nfs/dbraw/zinc/03/10/57/563031057.db2.gz	HXEMIYGPQJHYER-LLVKDONJSA-N	-2	1	441.849	2.826	1	30		IFEFML
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000027556334	563043836	/nfs/dbraw/zinc/04/38/36/563043836.db2.gz	VVTVVQMXNDCAPC-LLVKDONJSA-N	-2	1	441.849	2.826	1	30		IFEFML
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C([O-])=NS(=O)(=O)c1ccc(Cl)cc1	ZINC000027556334	563043838	/nfs/dbraw/zinc/04/38/38/563043838.db2.gz	VVTVVQMXNDCAPC-LLVKDONJSA-N	-2	1	441.849	2.826	1	30		IFEFML
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000013863181	563013282	/nfs/dbraw/zinc/01/32/82/563013282.db2.gz	HXEMIYGPQJHYER-NSHDSACASA-N	-2	1	441.849	2.826	1	30		IFEFML
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C([O-])=NS(=O)(=O)c1ccc(Cl)cc1	ZINC000013863181	563013283	/nfs/dbraw/zinc/01/32/83/563013283.db2.gz	HXEMIYGPQJHYER-NSHDSACASA-N	-2	1	441.849	2.826	1	30		IFEFML
N#Cc1c(N)nc(-c2ccccc2[O-])cc1-c1cccc(NC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC000013488166	562989532	/nfs/dbraw/zinc/98/95/32/562989532.db2.gz	XZRDWCFAUFRMAF-HXUWFJFHSA-N	-2	1	432.436	2.739	1	30		IFEFML
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000027556336	563043793	/nfs/dbraw/zinc/04/37/93/563043793.db2.gz	VVTVVQMXNDCAPC-NSHDSACASA-N	-2	1	441.849	2.826	1	30		IFEFML
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C([O-])=NS(=O)(=O)c1ccc(Cl)cc1	ZINC000027556336	563043794	/nfs/dbraw/zinc/04/37/94/563043794.db2.gz	VVTVVQMXNDCAPC-NSHDSACASA-N	-2	1	441.849	2.826	1	30		IFEFML
O=C([O-])[C@H]1NC(C2=C([O-])c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000008666081	562960429	/nfs/dbraw/zinc/96/04/29/562960429.db2.gz	IKQRYDBQZGXJIW-VBQJREDUSA-N	-3	1	436.807	2.519	1	30		IFEFML
N#Cc1c(N)nc(-c2ccccc2[O-])cc1-c1cccc(NC(=O)[C@@H](O)CCC(=O)[O-])c1	ZINC000013488165	562989574	/nfs/dbraw/zinc/98/95/74/562989574.db2.gz	XZRDWCFAUFRMAF-FQEVSTJZSA-N	-2	1	432.436	2.739	1	30		IFEFML