pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.31	IUPAC digitized pKa	0	-1	[NH3+]C1(C(=O)[O-])CCCC1	NC1(C(=O)[O-])CCCC1	mol8478	NC1(C(=O)O)CCCC1
10.33	IUPAC digitized pKa	0	-1	[NH3+]C1(C(=O)[O-])CCCC1	NC1(C(=O)[O-])CCCC1	mol8478	NC1(C(=O)O)CCCC1
10.06	Datawarrior	0	-1	[NH3+]C1(C(=O)[O-])CCCC1	NC1(C(=O)[O-])CCCC1	mol8478	NC1(C(=O)O)CCCC1
10.0600004196167	QSARToolbox	0	-1	[NH3+]C1(C(=O)[O-])CCCC1	NC1(C(=O)[O-])CCCC1	mol8478	NC1(C(=O)O)CCCC1
10.01	AttenGpKa training set	0	-1	[NH3+]C1(C(=O)[O-])CCCC1	NC1(C(=O)[O-])CCCC1	mol8478	NC1(C(=O)O)CCCC1
2.4	IUPAC digitized pKa	1	0	[NH3+]C1(C(=O)O)CCCC1	[NH3+]C1(C(=O)[O-])CCCC1	mol8478	NC1(C(=O)O)CCCC1
2.54	IUPAC digitized pKa	1	0	[NH3+]C1(C(=O)O)CCCC1	[NH3+]C1(C(=O)[O-])CCCC1	mol8478	NC1(C(=O)O)CCCC1
2.62	AttenGpKa training set	1	0	[NH3+]C1(C(=O)O)CCCC1	[NH3+]C1(C(=O)[O-])CCCC1	mol8478	NC1(C(=O)O)CCCC1