pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	AttenGpKa training set	1	0	COC(=[NH2+])Nc1ccccc1	COC(=N)Nc1ccccc1	mol28026	COC(=N)Nc1ccccc1