pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.18	AttenGpKa training set	1	0	C[n+]1c[nH]cc1Br	C[n+]1c[n-]cc1Br	mol25392	C[n+]1c[nH]cc1Br