pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.87	IUPAC digitized pKa	0	-1	CC(=O)Nc1c(N)nc(N)nc1O	CC(=O)Nc1c(N)nc(N)nc1[O-]	mol6982	CC(=O)Nc1c(N)nc(N)nc1O
3.07	IUPAC digitized pKa	1	0	CC(=O)Nc1c(N)nc([NH3+])nc1O,CC(=O)Nc1c(N)nc(N)[nH+]c1O,CC(=O)Nc1c([NH3+])nc(N)nc1O,CC(=O)Nc1c(O)nc(N)[nH+]c1N	CC(=O)Nc1c(N)nc(N)nc1O	mol6982	CC(=O)Nc1c(N)nc(N)nc1O