smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H]2Oc3c(c(O)cc(O)c3[C@H]3C(=O)c4c(O)cc(O)cc4O[C@@H]3c3ccc(O)cc3)C(=O)[C@@H]2O)cc1O ZINC000004098327 560122967 /nfs/dbraw/zinc/12/29/67/560122967.db2.gz GJWXCPDVDRIBKP-CNTBMXMRSA-N -2 2 588.521 3.706 10 0 biogenic,in-vitro KHAELL