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[NH2+][C@H](Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1)CN1CCN(CC(=O)[O-])CC[N@@H+](CC(=O)[O-])CC1	ZINC000029054666	561994671	/nfs/dbraw/zinc/99/46/71/561994671.db2.gz	GGDXBVUWIMSMKH-HXUWFJFHSA-N	-1	1	614.616	0.549	1	5		KCBFMM
O=C([O-])C[NH2+][C@@H](Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1)CN1CCN(CC(=O)[O-])CC[N@@H+](CC(=O)[O-])CC1	ZINC000029054671	561994762	/nfs/dbraw/zinc/99/47/62/561994762.db2.gz	GGDXBVUWIMSMKH-FQEVSTJZSA-N	-1	1	614.616	0.549	1	5		KCBFMM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc(COC(=O)Nc3nc4nc[nH]c4c(OCc4ccccc4)n3)cc2[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O	ZINC000044305615	562653494	/nfs/dbraw/zinc/65/34/94/562653494.db2.gz	JAPHHQSDPVWFGW-PYJXJXBRSA-N	-1	1	612.508	0.860	1	5		KCBFMM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc(COC(=O)Nc3nc4nc[nH]c4c(OCc4ccccc4)n3)cc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000044305619	562653525	/nfs/dbraw/zinc/65/35/25/562653525.db2.gz	JAPHHQSDPVWFGW-AIBQHXCESA-N	-1	1	612.508	0.860	1	5		KCBFMM
O=C([O-])[C@H]1O[C@@H](Oc2ccc(COC(=O)Nc3nc4nc[nH]c4c(OCc4ccccc4)n3)cc2[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O	ZINC000044305622	562653498	/nfs/dbraw/zinc/65/34/98/562653498.db2.gz	JAPHHQSDPVWFGW-WDDJOWQOSA-N	-1	1	612.508	0.860	1	5		KCBFMM
O=C([O-])[C@H]1O[C@@H](Oc2ccc(COC(=O)Nc3nc4nc[nH]c4c(OCc4ccccc4)n3)cc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000044305625	562653512	/nfs/dbraw/zinc/65/35/12/562653512.db2.gz	JAPHHQSDPVWFGW-JZBNULMRSA-N	-1	1	612.508	0.860	1	5		KCBFMM