pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.53	IUPAC digitized pKa	0	-1	CC(C)Oc1nc(N)nc2c1nc(O)c(=O)n2C	CC(C)Oc1nc(N)nc2c1nc([O-])c(=O)n2C	mol8056	CC(C)Oc1nc(N)nc2c1nc(O)c(=O)n2C
0.53	IUPAC digitized pKa	1	0	CC(C)Oc1nc([NH3+])nc2c1nc(O)c(=O)n2C,CC(C)Oc1nc(N)nc2c1[nH+]c(O)c(=O)n2C,CC(C)Oc1[nH+]c(N)nc2c1nc(O)c(=O)n2C,CC(C)Oc1nc(N)[nH+]c2c1nc(O)c(=O)n2C	CC(C)Oc1nc(N)nc2c1nc(O)c(=O)n2C	mol8056	CC(C)Oc1nc(N)nc2c1nc(O)c(=O)n2C