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-])C[C@@H](NC(=O)CNC(=O)CCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1	ZINC000013472623	562988027	/nfs/dbraw/zinc/98/80/27/562988027.db2.gz	LXRNNOYGXXYOIM-MRXNPFEDSA-N	0	2	429.433	1.630	1	5		IDBFLN
Cn1cc([N+](=O)[O-])c(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CC[NH+](C)CC4)cc32)c1	ZINC000027097636	563039581	/nfs/dbraw/zinc/03/95/81/563039581.db2.gz	BDSGNJWAPPQMPB-UHFFFAOYSA-N	0	2	429.408	1.827	1	5		IDBFLN
O=C([O-])C[C@H](NC(=O)CNC(=O)CCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1	ZINC000013472624	562988079	/nfs/dbraw/zinc/98/80/79/562988079.db2.gz	LXRNNOYGXXYOIM-INIZCTEOSA-N	0	2	429.433	1.630	1	5		IDBFLN
Cc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O	ZINC000049053160	563137061	/nfs/dbraw/zinc/13/70/61/563137061.db2.gz	VRYIXVCGSCBMRB-NHYWBVRUSA-N	0	2	448.863	1.593	1	5		IDBFLN
Cn1cc([N+](=O)[O-])cc1-n1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21	ZINC000027097961	563039567	/nfs/dbraw/zinc/03/95/67/563039567.db2.gz	QTXXPKPVGQLMPS-UHFFFAOYSA-N	0	2	429.408	1.827	1	5		IDBFLN