pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.28	AttenGpKa training set	1	0	COC1=C/C(=[NH+]/C(C)C)CCC1	COC1=C/C(=N/C(C)C)CCC1	mol26857	COC1=C/C(=N/C(C)C)CCC1