pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.46	IUPAC digitized pKa	0	-1	[NH3+]C1(C(=O)[O-])CCCCCC1	NC1(C(=O)[O-])CCCCCC1	mol8477	NC1(C(=O)O)CCCCCC1
9.78	IUPAC digitized pKa	0	-1	[NH3+]C1(C(=O)[O-])CCCCCC1	NC1(C(=O)[O-])CCCCCC1	mol8477	NC1(C(=O)O)CCCCCC1
10.06	IUPAC digitized pKa	0	-1	[NH3+]C1(C(=O)[O-])CCCCCC1	NC1(C(=O)[O-])CCCCCC1	mol8477	NC1(C(=O)O)CCCCCC1
2.59	IUPAC digitized pKa	1	0	[NH3+]C1(C(=O)O)CCCCCC1	[NH3+]C1(C(=O)[O-])CCCCCC1	mol8477	NC1(C(=O)O)CCCCCC1
2.67	IUPAC digitized pKa	1	0	[NH3+]C1(C(=O)O)CCCCCC1	[NH3+]C1(C(=O)[O-])CCCCCC1	mol8477	NC1(C(=O)O)CCCCCC1