smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(S)cc1C(=O)[O-] 5427444 169358222 /nfs/dbraw/zinc/35/82/22/169358222.db2.gz FZUUAPPKEJXGEN-UHFFFAOYSA-N -2 2 198.199 1.372 20 0 ADADLL