smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])cc2oc3cc4c(c(=O)c-3c([O-])c2c1CCC(C)(C)OC=O)CCC(C)(C)O4 ZINC000071294596 569696357 /nfs/dbraw/zinc/69/63/57/569696357.db2.gz FKNCBEGGZXHDGG-UHFFFAOYSA-N -2 3 456.491 4.354 10 5 biogenic JIBEHL