pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.22	AttenGpKa training set	1	0	FC(F)(F)c1ccc2[nH]c[nH+]c2c1	FC(F)(F)c1ccc2[nH]cnc2c1	mol7791	FC(F)(F)c1ccc2[nH]cnc2c1