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-])c2c1CC=C(C)CCC=C(C)C)C=CC(C)(C)O4 ZINC000015248824 563011502 /nfs/dbraw/zinc/01/15/02/563011502.db2.gz XDMFZDJOFFBFDK-LICLKQGHSA-N -2 1 476.569 6.785 1 5 biogenic,in-vitro JKBFML