smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccccc1-c1c2ccc([O-])c(Cl)c2oc2c(Cl)c(=O)ccc1-2 ZINC000004409973 557552550 /nfs/dbraw/zinc/55/25/50/557552550.db2.gz QZJUUWVEZFULLI-UHFFFAOYSA-N -2 0 401.201 5.275 40 5 HKBBRL