pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.85	AttenGpKa training set	-1	-2	Cc1nc(O)nc2c1N=C[C@@H](O)[N-]2,Cc1nc([O-])nc2c1N=C[C@@H](O)N2	Cc1nc([O-])nc2c1N=C[C-](O)N2,Cc1nc(O)nc2c1N=C[C-]([O-])N2,Cc1nc(O)nc2c1N=C[C-](O)[N-]2,Cc1nc(O)nc2c1N=C[C@@H]([O-])[N-]2,Cc1nc([O-])nc2c1N=C[C@@H](O)[N-]2,Cc1nc([O-])nc2c1N=C[C@@H]([O-])N2	mol26237	Cc1nc(O)nc2c1N=CC(O)N2