smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(OC)c(O)c(c3CC[N+]1(C)C)Oc1cc3c(cc1OC)CC[N+](C)(C)C3C2 ZINC000070665687 553596967 /nfs/dbraw/zinc/59/69/67/553596967.db2.gz AREGKUNAFUCJDG-ZWXJPIIXSA-O 2 3 638.805 7.149 50 5 biogenic KKBAHP