pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.19	AttenGpKa training set	2	1	COc1ccc(-n2[nH+]n[nH+]c2C)cc1,COc1ccc(-n2n[nH+][nH+]c2C)cc1,COc1ccc(-n2[nH+][nH+]nc2C)cc1	COc1ccc(-n2nn[nH+]c2C)cc1,COc1ccc(-n2[nH+]nnc2C)cc1,COc1ccc(-n2n[nH+]nc2C)cc1	mol25477	COc1ccc(-n2nnnc2C)cc1