pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.95	IUPAC digitized pKa	0	-1	CC(C)Oc1nc(N)nc2nc(O)c(C#N)nc12	CC(C)Oc1nc(N)nc2nc([O-])c(C#N)nc12	mol8044	CC(C)Oc1nc(N)nc2nc(O)c(C#N)nc12
-0.17	IUPAC digitized pKa	1	0	CC(C)Oc1nc([NH3+])nc2nc(O)c(C#N)nc12,CC(C)Oc1nc(N)[nH+]c2nc(O)c(C#N)nc12,CC(C)Oc1[nH+]c(N)nc2nc(O)c(C#N)nc12	CC(C)Oc1nc(N)nc2nc(O)c(C#N)nc12	mol8044	CC(C)Oc1nc(N)nc2nc(O)c(C#N)nc12