pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.77999973297119	QSARToolbox	1	0	IC12CC[NH+](CC1)CC2	IC12CCN(CC1)CC2	mol24656	IC12CCN(CC1)CC2
8.78	AttenGpKa training set	1	0	IC12CC[NH+](CC1)CC2	IC12CCN(CC1)CC2	mol24656	IC12CCN(CC1)CC2