pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	IUPAC digitized pKa	0	-1	O=C(O)CCOc1ccc(Cl)cc1Cl	O=C([O-])CCOc1ccc(Cl)cc1Cl	mol10972	O=C(O)CCOc1ccc(Cl)cc1Cl
4.42000007629395	QSARToolbox	0	-1	O=C(O)CCOc1ccc(Cl)cc1Cl	O=C([O-])CCOc1ccc(Cl)cc1Cl	mol10972	O=C(O)CCOc1ccc(Cl)cc1Cl