smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(-c2cccc([N+](=O)[O-])c2)c(Cl)c(=O)[nH]1	ZINC000013907133	170607502	/nfs/dbraw/zinc/60/75/02/170607502.db2.gz	JDGIGSRWNIWEDC-UHFFFAOYSA-N	0	1	266.644	1.581	1	5		CDBFMN
Nc1nc2[nH]cnc2c(Sc2ccc([N+](=O)[O-])cn2)n1	ZINC000005544340	170111367	/nfs/dbraw/zinc/11/13/67/170111367.db2.gz	WYJFAXJZRYHOEC-UHFFFAOYSA-N	0	1	289.280	1.390	1	5		CDBFMN
COc1c(=O)cc(O)c2c(O)c3cccc(O)c3n(C)c1-2	ZINC000014725164	571722051	/nfs/dbraw/zinc/72/20/51/571722051.db2.gz	QEGXAAUCDUFHPJ-UHFFFAOYSA-N	0	1	287.271	1.817	1	5	endogenous,in-man	CDBFMN
CN1CCN(c2cc(=O)n3ccc4ccccc4c3n2)CC1	ZINC000013608165	536417753	/nfs/dbraw/zinc/41/77/53/536417753.db2.gz	RSXPGWJTZOEXDV-UHFFFAOYSA-N	0	1	294.358	1.600	1	5		CDBFMN
C[N+](C)(C)c1cccc(C([O-])(O)C(F)(F)F)c1	ZINC000003873189	717097884	/nfs/dbraw/zinc/09/78/84/717097884.db2.gz	KGVDBJQLTHWAJF-UHFFFAOYSA-N	0	1	250.240	1.583	1	5	in-vivo	CDBFMN
O=C(CCN1CC[N+]2(CCCC2)CC1)c1ccc([O-])cc1	ZINC000029326167	717118292	/nfs/dbraw/zinc/11/82/92/717118292.db2.gz	XNDXFEMEIXDLMC-UHFFFAOYSA-O	0	1	289.399	1.891	1	5		CDBFMN
CCCOc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O	ZINC000013681999	276267517	/nfs/dbraw/zinc/26/75/17/276267517.db2.gz	GUPXOWXEFMIHHE-UHFFFAOYSA-N	0	1	274.298	1.755	1	5	in-vivo	CDBFMN
Cc1n[nH]c2c1N=C(c1ccc([N+](=O)[O-])cc1)CNC2=O	ZINC000027742774	171531403	/nfs/dbraw/zinc/53/14/03/171531403.db2.gz	IYMPEMCWUPNFIP-UHFFFAOYSA-N	0	1	285.263	1.491	1	5		CDBFMN