pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.315	AttenGpKa training set	1	0	CC(=O)OCC12CC[NH+](CC1)CC2	CC(=O)OCC12CCN(CC1)CC2	mol24623	CC(=O)OCC12CCN(CC1)CC2