smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCc2c(c(O)cc3oc4cc([O-])c5c(c4c(=O)c32)OC(C)(C)CC5)O1 ZINC000085945801 222325205 /nfs/dbraw/zinc/32/52/05/222325205.db2.gz NAONXHGSDQDBNY-UHFFFAOYSA-N -1 1 396.439 4.565 10 5 biogenic,in-vitro GJBEMM