smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2[nH+]c3c([N+](=O)[O-])ccc(NCC[NH+](C)C)c3c(NCC[NH+](C)C)c2c1	ZINC000031852780	556527028	/nfs/dbraw/zinc/52/70/28/556527028.db2.gz	ZCZLOODDVPCOIS-UHFFFAOYSA-N	3	2	426.521	2.674	40	5		IFBBLP
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1-n1ccnc1	ZINC000006444513	568906928	/nfs/dbraw/zinc/90/69/28/568906928.db2.gz	GPXTURFRMUFCHP-UHFFFAOYSA-N	2	2	440.397	2.707	40	5		IFBBLP
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1-n1cc[nH+]c1	ZINC000006444513	568906929	/nfs/dbraw/zinc/90/69/29/568906929.db2.gz	GPXTURFRMUFCHP-UHFFFAOYSA-N	2	2	440.397	2.707	40	5		IFBBLP