pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.55	AttenGpKa training set	1	0	COc1ccc2[nH]c[nH+]c2c1	COc1ccc2[nH]cnc2c1	mol26385	COc1ccc2[nH]cnc2c1