smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1c(=O)cc2oc3cc([O-])c4c(c3c(O)c-2c1O)C[C@@H](C(C)(C)O)O4 ZINC000095099300 291247827 /nfs/dbraw/zinc/24/78/27/291247827.db2.gz MWJTZEZNHBWDNU-KRWDZBQOSA-N -1 2 412.438 3.646 1 5 biogenic,in-vitro HHBFLM