pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.72	AttenGpKa training set	1	0	COc1ccc(-c2n[nH+]n(C)n2)cc1,COc1ccc(-c2nnn(C)[nH+]2)cc1,COc1ccc(-c2nn(C)n[nH+]2)cc1	COc1ccc(-c2nnn(C)n2)cc1	mol25933	COc1ccc(-c2nnn(C)n2)cc1