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(Nc1nn[nH]n1)c1cc(Cl)cc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000029313244	202184559	/nfs/dbraw/zinc/18/45/59/202184559.db2.gz	CQHWPYMRGJFYQL-UHFFFAOYSA-N	0	1	345.706	2.076	1	5		EEBFMN
CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(C)[nH]nc2C[C@@]1(C)O	ZINC000013145042	277100155	/nfs/dbraw/zinc/10/01/55/277100155.db2.gz	KLUFAIXBSGETEP-WCXIOVBPSA-N	0	1	329.356	2.485	1	5		EEBFMN
CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(C)[nH]nc2C[C@@]1(C)O	ZINC000013145039	278231979	/nfs/dbraw/zinc/23/19/79/278231979.db2.gz	KLUFAIXBSGETEP-YYIAUSFCSA-N	0	1	329.356	2.485	1	5		EEBFMN
CC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(C)[nH]nc2C[C@@]1(C)O	ZINC000013154186	462887317	/nfs/dbraw/zinc/88/73/17/462887317.db2.gz	WLADKGWPKZATAW-LTIDMASMSA-N	0	1	329.356	2.485	1	5		EEBFMN
O=c1c(=O)c(Nc2cc([N+](=O)[O-])ccc2O)c1Nc1ccccc1	ZINC000101046005	219115638	/nfs/dbraw/zinc/11/56/38/219115638.db2.gz	SBZQHVHYXXHHNH-LGMDPLHJSA-N	0	1	325.280	2.218	1	5		EEBFMN
CN1CCN(c2ccc([N+](=O)[O-])c(NCCn3cccc3)c2)CC1	ZINC000028955598	135742319	/nfs/dbraw/zinc/74/23/19/135742319.db2.gz	HNCIKWSCVIYUBH-UHFFFAOYSA-N	0	1	329.404	2.260	1	5		EEBFMN
CN(C)Cc1ccc(CSCCNc2nnccc2[N+](=O)[O-])o1	ZINC000003814006	210076629	/nfs/dbraw/zinc/07/66/29/210076629.db2.gz	YSANROTYHBNTDV-UHFFFAOYSA-N	0	1	337.405	2.385	1	5		EEBFMN
CC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(C)[nH]nc2C[C@@]1(C)O	ZINC000013145040	278237597	/nfs/dbraw/zinc/23/75/97/278237597.db2.gz	KLUFAIXBSGETEP-LTIDMASMSA-N	0	1	329.356	2.485	1	5		EEBFMN
Cc1ccc(NCC[NH2+]CCO)c2c(=O)c3ccc([O-])cc3sc12	ZINC000100823399	219108043	/nfs/dbraw/zinc/10/80/43/219108043.db2.gz	XRHWHEXWJCCYSX-UHFFFAOYSA-N	0	1	344.436	2.423	1	5		EEBFMN
CC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(C)[nH]nc2C[C@@]1(C)O	ZINC000013154185	278232362	/nfs/dbraw/zinc/23/23/62/278232362.db2.gz	WLADKGWPKZATAW-YYIAUSFCSA-N	0	1	329.356	2.485	1	5		EEBFMN
CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(C)[nH]nc2C[C@@]1(C)O	ZINC000013154187	278237889	/nfs/dbraw/zinc/23/78/89/278237889.db2.gz	WLADKGWPKZATAW-WCXIOVBPSA-N	0	1	329.356	2.485	1	5		EEBFMN