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(/C=C\c1c(Cl)cccc1Cl)c1ccc([O-])cc1 ZINC000033374193 171787465 /nfs/dbraw/zinc/78/74/65/171787465.db2.gz QOSCTBAYXJCLFA-HJWRWDBZSA-N -1 1 293.149 4.595 20 30 CJEDMM