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=Cc2c(cc3oc4cc([O-])c5c(c4c([O-])c-3c2=O)C=CC(C)(C)O5)O1 ZINC000014766824 291140359 /nfs/dbraw/zinc/14/03/59/291140359.db2.gz CPBXNYZFGKIZDX-UHFFFAOYSA-N -2 1 392.407 4.726 1 5 biogenic,in-vitro GJBFML