smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c2cc(S(=O)(=O)[O-])ccc2c2ccc(S(=O)(=O)[O-])cc12	ZINC000029414027	207991679	/nfs/dbraw/zinc/99/16/79/207991679.db2.gz	DGNVEWQPTRAXEO-UHFFFAOYSA-N	-2	0	355.349	1.587	1	5		FDBFRL
CCOCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])oc21	ZINC000169344943	222565245	/nfs/dbraw/zinc/56/52/45/222565245.db2.gz	QSVGJQVWPCKLQD-UHFFFAOYSA-N	-2	0	360.274	1.832	1	5		FDBFRL
O=C([O-])c1cc(=O)c2ccc3c(ccc4c(=O)cc(C(=O)[O-])[nH]c43)c2[nH]1	ZINC000039221250	205045029	/nfs/dbraw/zinc/04/50/29/205045029.db2.gz	NFPMPKZUDLGFGQ-UHFFFAOYSA-N	-2	0	350.286	1.919	1	5		FDBFRL
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F	ZINC000029407830	207989590	/nfs/dbraw/zinc/98/95/90/207989590.db2.gz	NMXNBBSNDRDMLI-VIFPVBQESA-N	-2	0	363.248	1.364	1	5		FDBFRL
O=C([O-])c1nn2c(c1C(=O)[O-])c1cc([N+](=O)[O-])c(Cl)cc1[nH]c2=O	ZINC000029060436	220592469	/nfs/dbraw/zinc/59/24/69/220592469.db2.gz	QCYWDNNPABQJBD-UHFFFAOYSA-N	-2	0	352.646	1.546	1	5		FDBFRL