pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.15	AttenGpKa training set	-1	-2	CC1=Nc2cnc([O-])nc2N[C@@]1(C)O,CC1=Nc2cnc(O)nc2[N-][C@@]1(C)O	CC1=Nc2cnc([O-])nc2[N-][C@@]1(C)O,CC1=Nc2cnc([O-])nc2N[C@@]1(C)[O-],CC1=Nc2cnc(O)nc2[N-][C@@]1(C)[O-]	mol26256	CC1=Nc2cnc(O)nc2NC1(C)O