smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc3[nH]c4cc[nH+]cc4c3c2)cc1	ZINC000040896526	205084522	/nfs/dbraw/zinc/08/45/22/205084522.db2.gz	ZIQKYGCWSWBPCQ-UHFFFAOYSA-N	1	2	369.358	3.392	1	5		FGBFLO
O=[N+]([O-])c1ccc(OC2[C@H](n3ccnc3)CCC[C@H]2n2cc[nH+]c2)cc1	ZINC000040860923	205083540	/nfs/dbraw/zinc/08/35/40/205083540.db2.gz	FLKJUSKODJAUSZ-IAGOWNOFSA-N	1	2	353.382	3.402	1	5		FGBFLO
Cc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2ccccc23)cc1	ZINC000169322066	206249885	/nfs/dbraw/zinc/24/98/85/206249885.db2.gz	GLQCYLJKKKTHBO-YOUFYPILSA-N	1	2	363.417	3.050	1	5		FGBFLO
Cc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2ccccc23)cc1	ZINC000169322066	206249891	/nfs/dbraw/zinc/24/98/91/206249891.db2.gz	GLQCYLJKKKTHBO-YOUFYPILSA-N	1	2	363.417	3.050	1	5		FGBFLO
Nc1ccc2cc3ccc(I)cc3[nH+]c2c1CO	ZINC000049053390	211883945	/nfs/dbraw/zinc/88/39/45/211883945.db2.gz	UMSUPYRGYJMVRX-UHFFFAOYSA-N	1	2	350.159	3.067	1	5		FGBFLO
COc1ccc2c(c1)oc(=O)c1c2CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000013764649	211058917	/nfs/dbraw/zinc/05/89/17/211058917.db2.gz	HHRUJJWXMZRWIG-UHFFFAOYSA-N	1	2	366.373	3.268	1	5		FGBFLO
COc1ccc2c(c1)oc(=O)c1c2CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000013764649	211058919	/nfs/dbraw/zinc/05/89/19/211058919.db2.gz	HHRUJJWXMZRWIG-UHFFFAOYSA-N	1	2	366.373	3.268	1	5		FGBFLO
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3coc(-c4ccco4)n3)CC2)cc1	ZINC000072101773	136141884	/nfs/dbraw/zinc/14/18/84/136141884.db2.gz	MCGRIMLTXTYVCD-UHFFFAOYSA-N	1	2	354.366	3.165	1	5		FGBFLO