pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.56	IUPAC digitized pKa	1	0	[NH3+]CCCl	NCCCl	mol1462	NCCCl
8.49	Datawarrior	1	0	[NH3+]CCCl	NCCCl	mol1462	NCCCl
8.4899998	OCHEM	1	0	[NH3+]CCCl	NCCCl	mol1462	NCCCl
8.77000045776367	QSARToolbox	1	0	[NH3+]CCCl	NCCCl	mol1462	NCCCl
8.69999980926514	QSARToolbox	1	0	[NH3+]CCCl	NCCCl	mol1462	NCCCl
8.48999977111816	QSARToolbox	1	0	[NH3+]CCCl	NCCCl	mol1462	NCCCl
8.44	AttenGpKa training set	1	0	[NH3+]CCCl	NCCCl	mol1462	NCCCl