smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(/C(Cl)=N/[O-])cc1 39381380 343211559 /nfs/dbraw/zinc/21/15/59/343211559.db2.gz CLCZUXISDITGQM-BENRWUELSA-N -1 1 197.665 3.185 40 30 AGEBMM