pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.38	AttenGpKa training set	2	1	C[NH+]1C[C@H]2C[NH+](C)C[C@@H](C1)C2	CN1C[C@H]2C[C@@H](C1)C[NH+](C)C2	mol24547	CN1CC2C[C@@H](C1)C[N@@](C)C2