pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.65	IUPAC digitized pKa	1	0	[NH3+]CCC(Cl)(Cl)Cl	NCCC(Cl)(Cl)Cl	mol881	NCCC(Cl)(Cl)Cl
9.64999961853027	QSARToolbox	1	0	[NH3+]CCC(Cl)(Cl)Cl	NCCC(Cl)(Cl)Cl	mol881	NCCC(Cl)(Cl)Cl
9.5	AttenGpKa training set	1	0	[NH3+]CCC(Cl)(Cl)Cl	NCCC(Cl)(Cl)Cl	mol881	NCCC(Cl)(Cl)Cl