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(C1=C(O)C(=Cc2ccc([O-])c(Cl)c2)CC1)C(F)(F)F ZINC000408562783 257229722 /nfs/dbraw/zinc/22/97/22/257229722.db2.gz CEIYXEUYGODRIP-GKPGWJKISA-N -2 1 318.678 4.166 40 30 DIEBML