pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.47	AttenGpKa training set	1	0	Nc1cc(N)cc([NH3+])c1	Nc1cc(N)cc(N)c1	mol23702	Nc1cc(N)cc(N)c1