pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	AttenGpKa training set	1	0	Cc1cc(C)n(-c2ccccc2)[nH+]1	Cc1cc(C)n(-c2ccccc2)n1	mol25431	Cc1cc(C)n(-c2ccccc2)n1