pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.77	IUPAC digitized pKa	1	0	C[NH2+]CCO	CNCCO	mol2554	CNCCO
9.88	IUPAC digitized pKa	1	0	C[NH2+]CCO	CNCCO	mol2554	CNCCO
9.91	Datawarrior	1	0	C[NH2+]CCO	CNCCO	mol2554	CNCCO
9.9099998	OCHEM	1	0	C[NH2+]CCO	CNCCO	mol2554	CNCCO
10.1800003051758	QSARToolbox	1	0	C[NH2+]CCO	CNCCO	mol2554	CNCCO
8.9399995803833	QSARToolbox	1	0	C[NH2+]CCO	CNCCO	mol2554	CNCCO
9.64	AttenGpKa training set	1	0	C[NH2+]CCO	CNCCO	mol2554	CNCCO