pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.37	AttenGpKa training set	1	0	[NH3+]c1cccc(-c2ccc(Br)cc2)c1	Nc1cccc(-c2ccc(Br)cc2)c1	mol24031	Nc1cccc(-c2ccc(Br)cc2)c1