smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@@H]1C([O-])=C(C(=O)NC[NH2+][C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000085537124	562753199	/nfs/dbraw/zinc/75/31/99/562753199.db2.gz	ZVVMCQBZCQRRME-YABKDXSZSA-N	-1	2	805.863	0.337	10	30	in-man	KCEELM
C[NH+](C)[C@@H]1C([O-])=C(C(=O)NC[NH2+][C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@H]12	ZINC000085537127	562753195	/nfs/dbraw/zinc/75/31/95/562753195.db2.gz	ZVVMCQBZCQRRME-QWZBWJELSA-N	-1	2	805.863	0.337	10	30	in-man	KCEELM
C[NH+](C)[C@@H]1C([O-])=C(C(=O)NC[NH2+][C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000085537129	562753205	/nfs/dbraw/zinc/75/32/05/562753205.db2.gz	ZVVMCQBZCQRRME-XXABONLWSA-N	-1	2	805.863	0.337	10	30	in-man	KCEELM
C[NH+](C)[C@@H]1C([O-])=C(C(=O)NC[NH2+][C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@H]12	ZINC000085537131	562753188	/nfs/dbraw/zinc/75/31/88/562753188.db2.gz	ZVVMCQBZCQRRME-ZJNCMQLFSA-N	-1	2	805.863	0.337	10	30	in-man	KCEELM