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-])CNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000821533561	587126643	/nfs/dbraw/zinc/12/66/43/587126643.db2.gz	TVZYUHVVWDEFFY-UHFFFAOYSA-N	-2	0	240.171	0.115	20	5		BCBDRL
O=C([O-])CNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000001585566	587694853	/nfs/dbraw/zinc/69/48/53/587694853.db2.gz	ZKNYKRHOSGFPCY-UHFFFAOYSA-N	-2	0	240.171	0.115	20	5		BCBDRL
O=C([O-])COC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000738616964	596984199	/nfs/dbraw/zinc/98/41/99/596984199.db2.gz	QDSVDQYDVOPHMZ-UHFFFAOYSA-N	-2	0	214.133	0.164	20	5		BCBDRL
O=C([O-])CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000821533492	587126753	/nfs/dbraw/zinc/12/67/53/587126753.db2.gz	QHCHDTYBKAUCJT-UHFFFAOYSA-N	-2	0	240.171	0.115	20	5		BCBDRL
O=C(Nc1nc[nH]n1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000431894178	384461401	/nfs/dbraw/zinc/46/14/01/384461401.db2.gz	NLBYVLWLZVGTGT-UHFFFAOYSA-N	-2	0	249.186	0.671	20	5		BCBDRL
O=C([O-])NCCOC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000739978701	602217061	/nfs/dbraw/zinc/21/70/61/602217061.db2.gz	YQMKHPSMIGIRCG-UHFFFAOYSA-N	-2	0	243.175	0.347	20	5		BCBDRL