pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.7	AttenGpKa training set	1	0	C[n+]1cnc(N)c2ncc(O)nc21,C[n+]1cnc([NH3+])c2ncc([O-])nc21	C[n+]1cnc(N)c2ncc([O-])nc21	mol26230	C[n+]1cnc(N)c2ncc(O)nc21