pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.63	IUPAC digitized pKa	1	0	[NH3+][C@@H]1CCCC[C@H]1O	N[C@@H]1CCCC[C@H]1O	mol955	N[C@@H]1CCCC[C@H]1O
9.53	OCHEM	1	0	[NH3+][C@@H]1CCCC[C@H]1O	N[C@@H]1CCCC[C@H]1O	mol955	N[C@@H]1CCCC[C@H]1O
9.63000011444092	QSARToolbox	1	0	[NH3+][C@@H]1CCCC[C@H]1O	N[C@@H]1CCCC[C@H]1O	mol955	N[C@@H]1CCCC[C@H]1O