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)=CCc1cc(-c2oc3cc([O-])c(CC=C(C)C)c([O-])c3c(=O)c2O)ccc1O ZINC000014727563 291287342 /nfs/dbraw/zinc/28/73/42/291287342.db2.gz XHCCZOWAHHBCAK-UHFFFAOYSA-N -2 1 422.477 5.300 10 0 biogenic,in-vitro HKAEML