pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.48	AttenGpKa training set	0	-1	Nc1nc(O)nc(Nc2ccccc2)n1	Nc1nc([O-])nc(Nc2ccccc2)n1,Nc1nc(O)nc([N-]c2ccccc2)n1	mol25810	Nc1nc(O)nc(Nc2ccccc2)n1
3.96	AttenGpKa training set	1	0	[NH3+]c1nc(O)nc(Nc2ccccc2)n1,Nc1nc(O)nc(Nc2ccccc2)[nH+]1,Nc1nc(O)[nH+]c(Nc2ccccc2)n1,Nc1nc(O)nc([NH2+]c2ccccc2)n1,Nc1nc(Nc2ccccc2)nc(O)[nH+]1	Nc1nc(O)nc(Nc2ccccc2)n1	mol25810	Nc1nc(O)nc(Nc2ccccc2)n1