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-])c1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000004501602	181115643	/nfs/dbraw/zinc/11/56/43/181115643.db2.gz	WTVSECVMOHYKGX-ZZXKWVIFSA-N	-1	2	303.230	0.840	50	5		DCBALM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1	ZINC000046902118	415260988	/nfs/dbraw/zinc/26/09/88/415260988.db2.gz	MSXASHMDLNURIZ-WCBMZHEXSA-N	-1	2	314.319	0.790	50	5		DCBALM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC000046902116	415261294	/nfs/dbraw/zinc/26/12/94/415261294.db2.gz	MSXASHMDLNURIZ-PSASIEDQSA-N	-1	2	314.319	0.790	50	5		DCBALM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])c(O)c2)[nH]1	ZINC000141857693	395958248	/nfs/dbraw/zinc/95/82/48/395958248.db2.gz	IWZFVUKTQXNPNL-HNQUOIGGSA-N	-1	2	320.217	0.756	50	5		DCBALM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1	ZINC000046902112	415261324	/nfs/dbraw/zinc/26/13/24/415261324.db2.gz	MSXASHMDLNURIZ-SCZZXKLOSA-N	-1	2	314.319	0.790	50	5		DCBALM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1	ZINC000046902114	415261122	/nfs/dbraw/zinc/26/11/22/415261122.db2.gz	MSXASHMDLNURIZ-WPRPVWTQSA-N	-1	2	314.319	0.790	50	5		DCBALM