pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.77	AttenGpKa training set	1	0	CO[C@H]1NC=[NH+]c2ccccc21	CO[C@H]1NC=Nc2ccccc21	mol26206	CO[C@H]1NC=Nc2ccccc21