pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.01	AttenGpKa training set	1	0	CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH3+])C2	CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N)C2	mol3308	CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N)C2