smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1n[n-]c2c([N+](=O)[O-])c(=O)[nH]c(=O)n12	ZINC000001644014	180448026	/nfs/dbraw/zinc/44/80/26/180448026.db2.gz	FHSRELNBVHPXCP-UHFFFAOYSA-N	-1	0	211.137	-0.248	1	5		BBBFRM
C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CC(=O)[O-]	ZINC000012495490	571694718	/nfs/dbraw/zinc/69/47/18/571694718.db2.gz	ZGNBLKBZJBJFDG-ZETCQYMHSA-O	-1	0	248.255	-0.446	1	5	endogenous,in-man	BBBFRM
N=c1c([O-])nnc2c(=O)[nH]c3ccccc3n12	ZINC000103150550	181209398	/nfs/dbraw/zinc/20/93/98/181209398.db2.gz	YKLVDAITEHEFGE-UHFFFAOYSA-N	-1	0	229.199	-0.244	1	5		BBBFRM
Cc1ncc([N+](=O)[O-])n1CCS(=O)(=O)[O-]	ZINC000145033112	180176303	/nfs/dbraw/zinc/17/63/03/180176303.db2.gz	FGROSHHKAWKUEG-UHFFFAOYSA-N	-1	0	235.221	-0.012	1	5		BBBFRM
Cn1c([N+](=O)[O-])cnc1[S@@](=O)CCC(=O)[O-]	ZINC000169347008	180625834	/nfs/dbraw/zinc/62/58/34/180625834.db2.gz	IISBUHZMEOCZIZ-INIZCTEOSA-N	-1	0	247.232	-0.089	1	5		BBBFRM
O=C([O-])C1=c2cc([N+](=O)[O-])ccc2=NC1	ZINC000306122496	388378741	/nfs/dbraw/zinc/37/87/41/388378741.db2.gz	VLIWMWPZYWFWQF-UHFFFAOYSA-N	-1	0	206.157	-0.537	2	5		BBBFRM