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-])C1=CC(=CC=[N+]2c3cc(O)c(O)cc3C[C@H]2C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000030726399	571742208	/nfs/dbraw/zinc/74/22/08/571742208.db2.gz	XHJKHSXHWJCBLX-AAEUAGOBSA-O	-2	0	389.340	0.163	10	30	endogenous,world	GCEERL
O=C([O-])[C@H](c1ccc(O)cc1)N1C[C@H](NC(=O)/C(=N/[O-])c2ccc(O)cc2)C1=O	ZINC000014614223	560223141	/nfs/dbraw/zinc/22/31/41/560223141.db2.gz	NMMOYDKOFASOBV-GCMUKRPSSA-N	-2	0	399.359	0.429	10	30	in-vitro	GCEERL
O=C([O-])[C@H](c1ccc(O)cc1)N1C[C@H](NC(=O)/C(=N\[O-])c2ccc(O)cc2)C1=O	ZINC000100395897	526317083	/nfs/dbraw/zinc/31/70/83/526317083.db2.gz	NMMOYDKOFASOBV-AHQJNRKOSA-N	-2	0	399.359	0.429	10	30	in-vitro	GCEERL
O=C([O-])[C@@H](c1ccc(O)cc1)N1C[C@H](NC(=O)/C(=N\[O-])c2ccc(O)cc2)C1=O	ZINC000013519451	560218390	/nfs/dbraw/zinc/21/83/90/560218390.db2.gz	NMMOYDKOFASOBV-HKHZIIAMSA-N	-2	0	399.359	0.429	10	30	in-vitro	GCEERL