pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.45	IUPAC digitized pKa	1	0	[NH3+]CCN1CCOCC1	NCCN1CCOCC1	mol3942	NCCN1CCOCC1
9.4499998	OCHEM	1	0	[NH3+]CCN1CCOCC1	NCCN1CCOCC1	mol3942	NCCN1CCOCC1
9.44999980926514	QSARToolbox	1	0	[NH3+]CCN1CCOCC1	NCCN1CCOCC1	mol3942	NCCN1CCOCC1
4.84	IUPAC digitized pKa	2	1	[NH3+]CC[NH+]1CCOCC1	[NH3+]CCN1CCOCC1	mol3942	NCCN1CCOCC1
4.84000015258789	QSARToolbox	2	1	[NH3+]CC[NH+]1CCOCC1	[NH3+]CCN1CCOCC1	mol3942	NCCN1CCOCC1