pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.67	AttenGpKa training set	1	0	COC1=NO[C@]2(C1)C[NH+]1CCC2CC1	COC1=NO[C@]2(C1)CN1CCC2CC1	mol24618	COC1=NOC2(C1)CN1CCC2CC1