pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.2	AttenGpKa training set	1	0	COc1ccc(-n2n[nH+]nc2-c2ccccc2)cc1,COc1ccc(-n2[nH+]nnc2-c2ccccc2)cc1,COc1ccc(-n2nn[nH+]c2-c2ccccc2)cc1	COc1ccc(-n2nnnc2-c2ccccc2)cc1	mol26022	COc1ccc(-n2nnnc2-c2ccccc2)cc1