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(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000030683188	1072594027	/nfs/dbraw/zinc/59/40/27/1072594027.db2.gz	NZXFKEYEVKXMMK-UHFFFAOYSA-N	-1	3	439.226	-0.049	20	5		IBBDHM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)CC1	ZINC000604430915	1072319916	/nfs/dbraw/zinc/31/99/16/1072319916.db2.gz	MRBRZXCOBZSVCR-UHFFFAOYSA-N	-1	3	448.465	-0.447	20	5		IBBDHM
O=C(Nc1ccc([N+](=O)[O-])c(I)c1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000815625206	1074029130	/nfs/dbraw/zinc/02/91/30/1074029130.db2.gz	XAWIPWXQHKVXBF-UHFFFAOYSA-N	-1	3	433.118	-0.279	20	5		IBBDHM
O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)CC2	ZINC001172902907	1074129126	/nfs/dbraw/zinc/12/91/26/1074129126.db2.gz	CPNVYWPQLXDKCR-HJHUUBBFSA-N	-1	3	448.450	-0.941	20	5		IBBDHM
O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)CC2	ZINC001172902922	1074129167	/nfs/dbraw/zinc/12/91/67/1074129167.db2.gz	CPNVYWPQLXDKCR-IIYRAJEGSA-N	-1	3	448.450	-0.941	20	5		IBBDHM
O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)CC2	ZINC001172902924	1074129205	/nfs/dbraw/zinc/12/92/05/1074129205.db2.gz	CPNVYWPQLXDKCR-LNGSIKLUSA-N	-1	3	448.450	-0.941	20	5		IBBDHM
O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)CC2	ZINC001172902928	1074129153	/nfs/dbraw/zinc/12/91/53/1074129153.db2.gz	CPNVYWPQLXDKCR-XLMMCZFXSA-N	-1	3	448.450	-0.941	20	5		IBBDHM
Cc1cc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(F)cc1[N+](=O)[O-]	ZINC001462971680	1074520190	/nfs/dbraw/zinc/52/01/90/1074520190.db2.gz	QBUGPORHVUAMQS-GXTWGEPZSA-N	-1	3	437.471	-0.182	20	5		IBBDHM
Cc1cc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(F)cc1[N+](=O)[O-]	ZINC001462971684	1074520242	/nfs/dbraw/zinc/52/02/42/1074520242.db2.gz	QBUGPORHVUAMQS-JSGCOSHPSA-N	-1	3	437.471	-0.182	20	5		IBBDHM
Cc1cc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(F)cc1[N+](=O)[O-]	ZINC001462971687	1074520178	/nfs/dbraw/zinc/52/01/78/1074520178.db2.gz	QBUGPORHVUAMQS-OCCSQVGLSA-N	-1	3	437.471	-0.182	20	5		IBBDHM
Cc1cc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(F)cc1[N+](=O)[O-]	ZINC001462971691	1074520386	/nfs/dbraw/zinc/52/03/86/1074520386.db2.gz	QBUGPORHVUAMQS-TZMCWYRMSA-N	-1	3	437.471	-0.182	20	5		IBBDHM