smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([O-])c2c3c1-c1c(O)c(O)ccc1[C@H]1Oc4ccccc4[C@@H](CC2=O)[C@H]31 ZINC000095913992 291264746 /nfs/dbraw/zinc/26/47/46/291264746.db2.gz ADDWUEDYAWOVOO-UCKKVMSCSA-N -1 3 402.402 4.380 1 10 biogenic,in-vitro HICFHM