pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65	IUPAC digitized pKa	1	0	C1CN(CC[NH+]2CCOCC2)CCO1	C1CN(CCN2CCOCC2)CCO1	mol3954	C1CN(CCN2CCOCC2)CCO1
6.6500001	OCHEM	1	0	C1CN(CC[NH+]2CCOCC2)CCO1	C1CN(CCN2CCOCC2)CCO1	mol3954	C1CN(CCN2CCOCC2)CCO1
6.35	OCHEM	1	0	C1CN(CC[NH+]2CCOCC2)CCO1	C1CN(CCN2CCOCC2)CCO1	mol3954	C1CN(CCN2CCOCC2)CCO1
6.65000009536743	QSARToolbox	1	0	C1CN(CC[NH+]2CCOCC2)CCO1	C1CN(CCN2CCOCC2)CCO1	mol3954	C1CN(CCN2CCOCC2)CCO1
3.63	IUPAC digitized pKa	2	1	C1C[NH+](CC[NH+]2CCOCC2)CCO1	C1CN(CC[NH+]2CCOCC2)CCO1	mol3954	C1CN(CCN2CCOCC2)CCO1
3.63000011444092	QSARToolbox	2	1	C1C[NH+](CC[NH+]2CCOCC2)CCO1	C1CN(CC[NH+]2CCOCC2)CCO1	mol3954	C1CN(CCN2CCOCC2)CCO1