smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(Cn2nc(Cc3ccc([N+](=O)[O-])cc3)c3onc(C)c3c2=O)n[n-]c1=S	ZINC000084636121	563174780	/nfs/dbraw/zinc/17/47/80/563174780.db2.gz	AORKCBGQZSCTGG-UHFFFAOYSA-N	-1	1	427.446	2.514	1	5		IFBFMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000049050962	563136879	/nfs/dbraw/zinc/13/68/79/563136879.db2.gz	MOGCENPOJLYKOM-CXUHLZMHSA-N	-1	1	429.410	2.945	1	5		IFBFMM
Cn1c2cn(-c3cc(Cl)c([N+](=O)[O-])cc3[O-])c(-c3ccccc3)c2c(=O)n(C)c1=O	ZINC000072139465	563164384	/nfs/dbraw/zinc/16/43/84/563164384.db2.gz	KFDWJOIUUXZECO-UHFFFAOYSA-N	-1	1	426.816	2.962	3	5		IFBFMM
CNC(=O)c1cc(Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccn1	ZINC000072175532	563165404	/nfs/dbraw/zinc/16/54/04/563165404.db2.gz	BHSSUIKSNGYDMT-UHFFFAOYSA-N	-1	1	428.426	2.943	1	5		IFBFMM