pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	AttenGpKa training set	1	0	C[n+]1c2cc(Br)ccc2cc2c3ccccc3[nH]c21	C[n+]1c2cc(Br)ccc2cc2c3ccccc3[n-]c21	mol26748	C[n+]1c2cc(Br)ccc2cc2c3ccccc3[nH]c21