smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nn1C(C)(C)C	ZINC000103201572	838376961	/nfs/dbraw/zinc/37/69/61/838376961.db2.gz	OGQNNCLFNCRFGG-UHFFFAOYSA-N	0	2	397.439	3.707	10	5		GHBELN
O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2cccc3ncccc32)c1	ZINC000102319918	872898494	/nfs/dbraw/zinc/89/84/94/872898494.db2.gz	YPJFKGWQHJRPAW-UHFFFAOYSA-N	0	2	395.343	3.545	10	5		GHBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccncc2)ccc1C	ZINC000101850632	838017921	/nfs/dbraw/zinc/01/79/21/838017921.db2.gz	PYRTYVWBHTZQJO-UHFFFAOYSA-N	0	2	399.428	3.775	10	5		GHBELN