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-])c1ccc(NC(=O)OCCc2cn(-c3cc4nc(C(=O)[O-])c(=O)[nH]c4cc3[N+](=O)[O-])c[nH+]2)cc1	ZINC000013553649	561718449	/nfs/dbraw/zinc/71/84/49/561718449.db2.gz	WYZAKGQCAHNSQY-UHFFFAOYSA-N	-1	2	508.403	2.617	1	5		KFBFLM
Cc1ccc(C(=O)N[C@@H](CCCCNC(=O)c2cccc(OCC(=O)[O-])c2)C(=O)NC[C@H](C(N)=O)C2CCCCC2)c([N+](=O)[O-])c1O	ZINC000049599936	562665005	/nfs/dbraw/zinc/66/50/05/562665005.db2.gz	VRPCCDPCIXEGBI-DQEYMECFSA-N	-1	2	655.705	2.569	1	5		KFBFLM
Cc1ccc(C(=O)N[C@@H](CCCCNC(=O)c2cccc(OCC(=O)[O-])c2)C(=O)NC[C@@H](C(N)=O)C2CCCCC2)c([N+](=O)[O-])c1O	ZINC000049599938	562665003	/nfs/dbraw/zinc/66/50/03/562665003.db2.gz	VRPCCDPCIXEGBI-RPBOFIJWSA-N	-1	2	655.705	2.569	1	5		KFBFLM
Cc1ccc(C(=O)N[C@@H](CCCCNC(=O)c2cccc(OCC(=O)[O-])c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O	ZINC000049780078	562681338	/nfs/dbraw/zinc/68/13/38/562681338.db2.gz	YRUXCIVASPUJCF-DQEYMECFSA-N	-1	2	684.102	2.637	1	5		KFBFLM
Cc1ccc(C(=O)N[C@@H](CSCCCNC(=O)c2cccc(OCC(=O)[O-])c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O	ZINC000049793326	562684734	/nfs/dbraw/zinc/68/47/34/562684734.db2.gz	CXZWCCBAJGLAKG-DQEYMECFSA-N	-1	2	716.169	2.590	1	5		KFBFLM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc(-c3ccc4c(c3)OCO4)n2)cc1	ZINC000082158208	562741100	/nfs/dbraw/zinc/74/11/00/562741100.db2.gz	BODCJRPYCJEFNJ-UHFFFAOYSA-N	-1	2	601.535	2.685	1	5		KFBFLM
O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])CC3)c(F)cc2c1=O	ZINC000653687676	562906577	/nfs/dbraw/zinc/90/65/77/562906577.db2.gz	XSDDRFBWIFPBGF-UHFFFAOYSA-N	-1	2	541.448	2.658	1	5		KFBFLM