pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.29	OCHEM	1	0	CCC[NH+]1CCN(c2ccccc2OC)CC1	CCCN1CCN(c2ccccc2OC)CC1	mol21575	CCCN1CCN(c2ccccc2OC)CC1
8.18000030517578	QSARToolbox	1	0	CCC[NH+]1CCN(c2ccccc2OC)CC1	CCCN1CCN(c2ccccc2OC)CC1	mol21575	CCCN1CCN(c2ccccc2OC)CC1
8.285	AttenGpKa training set	1	0	CCC[NH+]1CCN(c2ccccc2OC)CC1	CCCN1CCN(c2ccccc2OC)CC1	mol21575	CCCN1CCN(c2ccccc2OC)CC1