pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.93	AttenGpKa training set	0	-1	CCNc1nc(N)nc(O)n1	CC[N-]c1nc(N)nc(O)n1,CCNc1nc(N)nc([O-])n1	mol25759	CCNc1nc(N)nc(O)n1
4.64	AttenGpKa training set	1	0	CCNc1nc(N)[nH+]c(O)n1,CCNc1nc([NH3+])nc(O)n1,CCNc1nc(N)nc(O)[nH+]1,CCNc1nc(O)nc(N)[nH+]1,CC[NH2+]c1nc(N)nc(O)n1	CCNc1nc(N)nc(O)n1	mol25759	CCNc1nc(N)nc(O)n1