pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.2	AttenGpKa training set	1	0	CC(C)C12CC[NH+](CC1)CC2	CC(C)C12CCN(CC1)CC2	mol24545	CC(C)C12CCN(CC1)CC2