pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.41	AttenGpKa training set	1	0	CC(C)c1cccc(C(C)C)c1[NH3+]	CC(C)c1cccc(C(C)C)c1N	mol23817	CC(C)c1cccc(C(C)C)c1N