pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.78	AttenGpKa training set	0	-1	COc1ccc(Nc2nc(N)nc(O)n2)cc1OC	COc1ccc(Nc2nc(N)nc([O-])n2)cc1OC,COc1ccc([N-]c2nc(N)nc(O)n2)cc1OC	mol25838	COc1ccc(Nc2nc(N)nc(O)n2)cc1OC
4.24	AttenGpKa training set	1	0	COc1ccc(Nc2nc(N)[nH+]c(O)n2)cc1OC,COc1ccc([NH2+]c2nc(N)nc(O)n2)cc1OC,COc1ccc(Nc2nc(N)nc(O)[nH+]2)cc1OC,COc1ccc(Nc2nc(O)nc(N)[nH+]2)cc1OC,COc1ccc(Nc2nc([NH3+])nc(O)n2)cc1OC	COc1ccc(Nc2nc(N)nc(O)n2)cc1OC	mol25838	COc1ccc(Nc2nc(N)nc(O)n2)cc1OC