pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	IUPAC digitized pKa	1	0	CC(C)Oc1nc([NH3+])nc2nc(N)c(C#N)nc12,CC(C)Oc1nc(N)[nH+]c2nc(N)c(C#N)nc12,CC(C)Oc1[nH+]c(N)nc2nc(N)c(C#N)nc12,CC(C)Oc1nc(N)nc2nc([NH3+])c(C#N)nc12,CC(C)Oc1nc(N)nc2[nH+]c(N)c(C#N)nc12	CC(C)Oc1nc(N)nc2nc(N)c(C#N)nc12	mol8126	CC(C)Oc1nc(N)nc2nc(N)c(C#N)nc12