pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.43	AttenGpKa training set	1	0	CO[C@@H]1NC=[NH+]c2cccc([N+](=O)[O-])c21	CO[C@@H]1NC=Nc2cccc([N+](=O)[O-])c21	mol26270	COC1NC=Nc2cccc([N+](=O)[O-])c21