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)c1ccccc1Cl)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000044069980 563171636 /nfs/dbraw/zinc/17/16/36/563171636.db2.gz BKRDIDRNJIXOCB-SNVBAGLBSA-N -1 0 471.862 4.017 1 70 JIIFRM