smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(N2CCn3cc(C(=O)[O-])nc3C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000029123517	563094274	/nfs/dbraw/zinc/09/42/74/563094274.db2.gz	SASXXWQNEOJSMD-UHFFFAOYSA-N	-2	0	487.400	2.005	1	5		JEBFRL
CC(C)(C)n1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(N3CCn4cc(C(=O)[O-])nc4C3)cc21	ZINC000040872459	563151419	/nfs/dbraw/zinc/15/14/19/563151419.db2.gz	SAQISICPZYKVIZ-UHFFFAOYSA-N	-2	0	455.427	2.278	1	5		JEBFRL
O=C([O-])c1cccc(NC(=O)OCc2cn(-c3cc4nc(C(=O)[O-])c(=O)[nH]c4cc3[N+](=O)[O-])cn2)c1	ZINC000003922794	562929845	/nfs/dbraw/zinc/92/98/45/562929845.db2.gz	IYLDOSSVVGFBGI-UHFFFAOYSA-N	-2	0	494.376	2.162	1	5		JEBFRL
O=C([O-])c1ccc(NC(=O)OCc2cn(-c3cc4nc(C(=O)[O-])c(=O)[nH]c4cc3[N+](=O)[O-])cn2)cc1	ZINC000003922791	562929887	/nfs/dbraw/zinc/92/98/87/562929887.db2.gz	OFUSRUGBBIJORN-UHFFFAOYSA-N	-2	0	494.376	2.162	1	5		JEBFRL
O=C([O-])c1cn2c(n1)CN(c1nc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3-c1ccc(F)cc1)CC2	ZINC000028868380	563083878	/nfs/dbraw/zinc/08/38/78/563083878.db2.gz	ZWMDVNRPKAWUMH-UHFFFAOYSA-N	-2	0	494.395	2.046	1	5		JEBFRL
Nc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)cc3c2c(=O)[nH]1	ZINC000002014081	562924585	/nfs/dbraw/zinc/92/45/85/562924585.db2.gz	GGYBAFVBOIILIZ-IBGZPJMESA-N	-2	0	489.488	2.318	1	5		JEBFRL