pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.75	Datawarrior	1	0	OCCN1CC[NH+](CCO)CC1	OCCN1CCN(CCO)CC1	mol12596	OCCN1CCN(CCO)CC1
7.78000020980835	QSARToolbox	1	0	OCCN1CC[NH+](CCO)CC1	OCCN1CCN(CCO)CC1	mol12596	OCCN1CCN(CCO)CC1