smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1F ZINC000161289935 463416992 /nfs/dbraw/zinc/41/69/92/463416992.db2.gz TVCVEORLODXCGA-UHFFFAOYSA-N -2 3 342.323 2.430 10 70 EEIEHL