smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCc1ccc2oc(=O)c3ccc(C)cc3c2c1[O-] ZINC000104056830 567915921 /nfs/dbraw/zinc/91/59/21/567915921.db2.gz FAZZDIXUGLXTAN-UHFFFAOYSA-N -1 1 296.366 4.693 40 5 CJBBMM