pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.29	AttenGpKa training set	0	-1	Cn1nc(-c2ccccc2)c(O)c1-c1ccccc1	Cn1nc(-c2ccccc2)c([O-])c1-c1ccccc1	mol25577	Cn1nc(-c2ccccc2)c(O)c1-c1ccccc1
1.96	AttenGpKa training set	1	0	Cn1[nH+]c(-c2ccccc2)c(O)c1-c1ccccc1	Cn1nc(-c2ccccc2)c(O)c1-c1ccccc1	mol25577	Cn1nc(-c2ccccc2)c(O)c1-c1ccccc1