smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Nc2nc(-c3cc(O)c([O-])c(O)c3)nc3ccccc32)c(C)c1	ZINC000058592414	212011893	/nfs/dbraw/zinc/01/18/93/212011893.db2.gz	MDJTWXQTWAMHBY-UHFFFAOYSA-N	-1	3	373.412	4.774	1	10		FJCFHM
CC(=O)N1N=C(c2c([O-])ccc3ccccc32)C[C@H]1c1ccc(Cl)cc1	ZINC000005838537	204226713	/nfs/dbraw/zinc/22/67/13/204226713.db2.gz	QPODRDQMOHSPOG-IBGZPJMESA-N	-1	3	364.832	4.896	1	10		FJCFHM
CC(=O)N1N=C(c2c([O-])ccc3ccccc32)C[C@@H]1c1ccc(Cl)cc1	ZINC000005855424	207118380	/nfs/dbraw/zinc/11/83/80/207118380.db2.gz	QPODRDQMOHSPOG-LJQANCHMSA-N	-1	3	364.832	4.896	1	10		FJCFHM
O=C([O-])CCOc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000026941004	220525726	/nfs/dbraw/zinc/52/57/26/220525726.db2.gz	MACGUSJOINIBOU-UHFFFAOYSA-N	-1	3	358.397	4.985	1	10		FJCFHM
[O-]c1cc(O)ccc1[C@H]1CC(c2c3ccccc3cc3ccccc32)=NN1	ZINC000071329256	518203551	/nfs/dbraw/zinc/20/35/51/518203551.db2.gz	KPECJCADQDRWRA-HXUWFJFHSA-N	-1	3	354.409	4.843	1	10		FJCFHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NN=C3C=CC(=O)C=C3)cc2)cc1	ZINC000102604644	209237113	/nfs/dbraw/zinc/23/71/13/209237113.db2.gz	HYRBPEPJMDRFKR-MRCUWXFGSA-N	-1	3	367.430	4.917	1	10		FJCFHM
[O-]c1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccco2)C1	ZINC000040866109	208272015	/nfs/dbraw/zinc/27/20/15/208272015.db2.gz	SLPNKONWQMCAOD-QGZVFWFLSA-N	-1	3	363.442	4.533	1	10		FJCFHM
[O-]c1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccccc2)C1	ZINC000040867263	208273022	/nfs/dbraw/zinc/27/30/22/208273022.db2.gz	CPUSZGGMULHGKM-HXUWFJFHSA-N	-1	3	373.481	4.940	1	10		FJCFHM
N[P@@](=O)([O-])Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000053260363	221044700	/nfs/dbraw/zinc/04/47/00/221044700.db2.gz	JYPSIKJKPGPJCC-UHFFFAOYSA-N	-1	3	364.345	4.603	1	10		FJCFHM
O=C(Oc1ccccc1)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccccc1	ZINC000096937653	209164826	/nfs/dbraw/zinc/16/48/26/209164826.db2.gz	UJKGEFXFFCFHGA-HXUWFJFHSA-N	-1	3	358.397	4.742	1	10		FJCFHM