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](C(=O)[N-]S(=O)(=O)c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000043587292 563120958 /nfs/dbraw/zinc/12/09/58/563120958.db2.gz KJLPEWBCSJOVSV-LLVKDONJSA-N -1 0 437.417 3.364 1 70 IGIFRM