pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.09	AttenGpKa training set	1	0	COc1cccc(-n2[nH+]ccc2N)c1,COc1cccc(-n2nccc2[NH3+])c1	COc1cccc(-n2nccc2N)c1	mol25469	COc1cccc(-n2nccc2N)c1