pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.18	AttenGpKa training set	1	0	C[C@@H]1C[N+]2([O-])CC[NH+]1CC2,C[C@@H]1C[N+]2(O)CCN1CC2	C[C@@H]1C[N+]2([O-])CCN1CC2	mol24532	CC1C[N+]2(O)CCN1CC2