pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.18	Datawarrior	1	0	OCC[NH+]1CCOCC1	OCCN1CCOCC1	mol13637	OCCN1CCOCC1
7.1799998	OCHEM	1	0	OCC[NH+]1CCOCC1	OCCN1CCOCC1	mol13637	OCCN1CCOCC1
7.17999982833862	QSARToolbox	1	0	OCC[NH+]1CCOCC1	OCCN1CCOCC1	mol13637	OCCN1CCOCC1
6.93	AttenGpKa training set	1	0	OCC[NH+]1CCOCC1	OCCN1CCOCC1	mol13637	OCCN1CCOCC1