pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.4	AttenGpKa training set	-1	-2	C[C@H]1Nc2c(O)ncnc2N=C1[O-],C[C@H]1Nc2c([O-])ncnc2N=C1O	C[C@H]1Nc2c([O-])ncnc2N=C1[O-]	mol26242	CC1Nc2c(O)ncnc2N=C1O
8.43	AttenGpKa training set	-1	-2	C[C@H]1Nc2c(O)ncnc2N=C1[O-],C[C@H]1Nc2c([O-])ncnc2N=C1O	C[C@H]1Nc2c([O-])ncnc2N=C1[O-]	mol26242	CC1Nc2c(O)ncnc2N=C1O