smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1nc(Br)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000788761644	1077279858	/nfs/dbraw/zinc/27/98/58/1077279858.db2.gz	LOHYIFMRETYTJV-UHFFFAOYSA-N	-1	2	418.225	2.576	20	5		HFBDLM
O=C(Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1O	ZINC001170165276	1077811669	/nfs/dbraw/zinc/81/16/69/1077811669.db2.gz	RLKYFQRGAYYRLE-UHFFFAOYSA-N	-1	2	401.272	2.870	20	5		HFBDLM
O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001170165276	1077811673	/nfs/dbraw/zinc/81/16/73/1077811673.db2.gz	RLKYFQRGAYYRLE-UHFFFAOYSA-N	-1	2	401.272	2.870	20	5		HFBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl	ZINC000790381844	1078009427	/nfs/dbraw/zinc/00/94/27/1078009427.db2.gz	DEBLMVDRHKKQMY-UHFFFAOYSA-N	-1	2	416.795	2.764	20	5		HFBDLM
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000793404261	1078169250	/nfs/dbraw/zinc/16/92/50/1078169250.db2.gz	FXNVPAZWGAVSIS-UHFFFAOYSA-N	-1	2	420.378	2.931	20	5		HFBDLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1	ZINC000790086151	1077944915	/nfs/dbraw/zinc/94/49/15/1077944915.db2.gz	ZJILUUVXSGHERM-UHFFFAOYSA-N	-1	2	419.184	2.995	20	5		HFBDLM