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-])cc2oc3cc([O-])c4c(c3c(=O)c2c1CC=C(C)C)OC(C)(C)CC4 ZINC000005854633 557677550 /nfs/dbraw/zinc/67/75/50/557677550.db2.gz JUHXHWKPHWGZKL-UHFFFAOYSA-N -2 3 410.466 4.978 10 5 endogenous,in-man HJBEHL