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[N-]C(=S)C(=Cc2ccc(-c3ccccc3Cl)o2)S1 ZINC000001788239 563295976 /nfs/dbraw/zinc/29/59/76/563295976.db2.gz AYJLYTFBLOMZSM-KPKJPENVSA-N -1 1 321.810 4.725 10 10 DJCEMM