pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.22	AttenGpKa training set	2	1	Cc1c([NH+](C)C)c(O)n(-c2ccccc2)[n+]1C	Cc1c([NH+](C)C)c([O-])n(-c2ccccc2)[n+]1C,Cc1c(N(C)C)c(O)n(-c2ccccc2)[n+]1C	mol25548	Cc1c(N(C)C)c(O)n(-c2ccccc2)[n+]1C