pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.88	AttenGpKa training set	0	-1	CCN(O)CC	CCN([O-])CC	mol15897	CCN(O)CC
5.62	Datawarrior	1	0	CC[NH+](O)CC	CCN(O)CC	mol15897	CCN(O)CC
5.6199999	OCHEM	1	0	CC[NH+](O)CC	CCN(O)CC	mol15897	CCN(O)CC