smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000077319765	553665051	/nfs/dbraw/zinc/66/50/51/553665051.db2.gz	BEUSXTJFSNEHDV-ATEKPKPVSA-N	-1	0	541.391	3.067	10	5	in-vitro	KGBERM