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]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)cc2)C1	ZINC000032081704	526316995	/nfs/dbraw/zinc/31/69/95/526316995.db2.gz	FXCNWCIJTSOZKP-JTQLQIEISA-N	-2	1	423.378	1.972	50	5		HDBAML
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)cc2)C1	ZINC000032081705	527658167	/nfs/dbraw/zinc/65/81/67/527658167.db2.gz	FXCNWCIJTSOZKP-SNVBAGLBSA-N	-2	1	423.378	1.972	50	5		HDBAML
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000032081041	526317125	/nfs/dbraw/zinc/31/71/25/526317125.db2.gz	WJJOXQMUUKXWLL-NSHDSACASA-N	-2	1	405.388	1.833	50	5		HDBAML
O=C([O-])COc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000016361685	569032228	/nfs/dbraw/zinc/03/22/28/569032228.db2.gz	OAXNZKDPBZMNPR-RJRFIUFISA-N	-3	1	412.152	1.780	50	5		HDBAML
O=C(c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)N1CCOCC1	ZINC000012560802	568858053	/nfs/dbraw/zinc/85/80/53/568858053.db2.gz	XTSYYRIPXFJJDL-UHFFFAOYSA-N	-2	1	407.404	1.574	50	5		HDBAML
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000032081043	527658093	/nfs/dbraw/zinc/65/80/93/527658093.db2.gz	WJJOXQMUUKXWLL-LLVKDONJSA-N	-2	1	405.388	1.833	50	5		HDBAML