pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.1	AttenGpKa training set	2	1	COc1nn(-c2ccccc2)c([OH2+])[n+]1C,COc1[nH+]n(-c2ccccc2)c(O)[n+]1C	COc1nn(-c2ccccc2)c(O)[n+]1C	mol25517	COc1nn(-c2ccccc2)c(O)[n+]1C