pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0699996948242	QSARToolbox	1	0	ICC12CC[NH+](CC1)CC2	ICC12CCN(CC1)CC2	mol24663	ICC12CCN(CC1)CC2
10.08	AttenGpKa training set	1	0	ICC12CC[NH+](CC1)CC2	ICC12CCN(CC1)CC2	mol24663	ICC12CCN(CC1)CC2