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-])c2c(O)c3c([O-])cc([O-])c(OC)c3oc-2cc1=O ZINC000095486209 560061564 /nfs/dbraw/zinc/06/15/64/560061564.db2.gz LKGCCRQDSNMXSX-UHFFFAOYSA-N -3 3 320.253 1.786 1 5 biogenic,in-vitro DDBFHL