pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21000003814697	QSARToolbox	0	-1	O=C(O)CCC(Cl)(Cl)Cl	O=C([O-])CCC(Cl)(Cl)Cl	mol22429	O=C(O)CCC(Cl)(Cl)Cl
4.21	AttenGpKa training set	0	-1	O=C(O)CCC(Cl)(Cl)Cl	O=C([O-])CCC(Cl)(Cl)Cl	mol22429	O=C(O)CCC(Cl)(Cl)Cl