smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)c2c(=O)c([N+](=O)[O-])c(Cl)[n-]c2n(C)c1=O	ZINC000108805786	186230902	/nfs/dbraw/zinc/23/09/02/186230902.db2.gz	OPQNQYAFOJIRGE-UHFFFAOYSA-N	-1	1	286.631	-0.101	50	5		CBBAMM
Cn1c(=O)c2c([O-])c([N+](=O)[O-])c(Cl)nc2n(C)c1=O	ZINC000108805786	186230903	/nfs/dbraw/zinc/23/09/03/186230903.db2.gz	OPQNQYAFOJIRGE-UHFFFAOYSA-N	-1	1	286.631	-0.101	50	5		CBBAMM
COC(=O)c1nc2nc(C)c([N+](=O)[O-])c(=O)n2[n-]1	ZINC000100847329	292036235	/nfs/dbraw/zinc/03/62/35/292036235.db2.gz	VXOOPAFDKUPVLR-UHFFFAOYSA-N	-1	1	253.174	-0.579	50	5		CBBAMM
COC(=O)c1nc2nc(C)c([N+](=O)[O-])c(=O)n2[n-]1	ZINC000002339996	292036275	/nfs/dbraw/zinc/03/62/75/292036275.db2.gz	VAEBOORLDQHDIO-UHFFFAOYSA-N	-1	1	253.174	-0.167	50	5		CBBAMM
CN1CCN(N=c2nc(N)c([N+](=O)[O-])c[n-]2)CC1	ZINC000070644117	372766119	/nfs/dbraw/zinc/76/61/19/372766119.db2.gz	OULKCWSFLLVJSQ-UHFFFAOYSA-N	-1	1	253.266	-0.459	50	5		CBBAMM