pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.09	IUPAC digitized pKa	1	0	CC[C@H]1CCC[NH2+][C@@H]1O	CC[C@H]1CCCN[C@@H]1O	mol3578	CCC1CCCNC1O
9.89999961853027	QSARToolbox	1	0	CC[C@H]1CCC[NH2+][C@@H]1O	CC[C@H]1CCCN[C@@H]1O	mol3578	CCC1CCCNC1O