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-])[C@H](O)c1ccc([O-])cc1[N+](=O)[O-]	ZINC000238719745	345117291	/nfs/dbraw/zinc/11/72/91/345117291.db2.gz	ZXXNNVXBAVANQU-SSDOTTSWSA-N	-2	1	213.145	0.418	10	5		BCBEML
Nc1cc(CC(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000575718627	387427327	/nfs/dbraw/zinc/42/73/27/387427327.db2.gz	HFBBTHIIFPMEAY-UHFFFAOYSA-N	-2	1	212.161	0.510	10	5		BCBEML
Nc1ccc(CC(=O)[O-])c([N+](=O)[O-])c1[O-]	ZINC000575718659	387426179	/nfs/dbraw/zinc/42/61/79/387426179.db2.gz	HTRKKZIXEUOXBU-UHFFFAOYSA-N	-2	1	212.161	0.510	10	5		BCBEML
CC(=O)Nc1cc(C(=O)[O-])c([N+](=O)[O-])cc1[O-]	ZINC000071973793	191004846	/nfs/dbraw/zinc/00/48/46/191004846.db2.gz	VNAWWKVOORSVEJ-UHFFFAOYSA-N	-2	1	240.171	0.957	10	5		BCBEML
Nc1cc([N+](=O)[O-])c([O-])cc1CC(=O)[O-]	ZINC000575718402	387424913	/nfs/dbraw/zinc/42/49/13/387424913.db2.gz	ABFUFCAFZFSSFZ-UHFFFAOYSA-N	-2	1	212.161	0.510	10	5		BCBEML
Nc1c(CC(=O)[O-])ccc([N+](=O)[O-])c1[O-]	ZINC000575718615	387426910	/nfs/dbraw/zinc/42/69/10/387426910.db2.gz	GRPAKDWEYYQMSW-UHFFFAOYSA-N	-2	1	212.161	0.510	10	5		BCBEML
Nc1cc([N+](=O)[O-])c(CC(=O)[O-])cc1[O-]	ZINC000575718217	387424317	/nfs/dbraw/zinc/42/43/17/387424317.db2.gz	BBTABSSBQBBBRV-UHFFFAOYSA-N	-2	1	212.161	0.510	10	5		BCBEML
Nc1c([O-])ccc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000575718948	387428352	/nfs/dbraw/zinc/42/83/52/387428352.db2.gz	MMMWCWISWNJTBG-UHFFFAOYSA-N	-2	1	212.161	0.510	10	5		BCBEML
Nc1ccc([O-])c([N+](=O)[O-])c1CC(=O)[O-]	ZINC000575719669	387439707	/nfs/dbraw/zinc/43/97/07/387439707.db2.gz	YNSQJDSDULDKBL-UHFFFAOYSA-N	-2	1	212.161	0.510	10	5		BCBEML
Nc1cc([N+](=O)[O-])cc(CC(=O)[O-])c1[O-]	ZINC000575718608	387427533	/nfs/dbraw/zinc/42/75/33/387427533.db2.gz	GURCDVZBXQJGGO-UHFFFAOYSA-N	-2	1	212.161	0.510	10	5		BCBEML
O=C([O-])[C@@H](O)c1ccc([O-])cc1[N+](=O)[O-]	ZINC000238683312	345108895	/nfs/dbraw/zinc/10/88/95/345108895.db2.gz	ZXXNNVXBAVANQU-ZETCQYMHSA-N	-2	1	213.145	0.418	10	5		BCBEML