smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C=Cc2c3c4cccc([O-])c4oc3c3occc3c2O1 ZINC000064415692 184296438 /nfs/dbraw/zinc/29/64/38/184296438.db2.gz ZSMMKJRUHRQXAJ-UHFFFAOYSA-N -1 3 306.317 5.222 1 5 DKBFHM