pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.36	IUPAC digitized pKa	0	-1	O=C(O)c1nc(O)nc2c1CCCC2	O=C([O-])c1nc(O)nc2c1CCCC2	mol11020	O=C(O)c1nc(O)nc2c1CCCC2
-0.82	IUPAC digitized pKa	1	0	O=C(O)c1nc(O)[nH+]c2c1CCCC2,O=C(O)c1[nH+]c(O)nc2c1CCCC2	O=C(O)c1nc(O)nc2c1CCCC2	mol11020	O=C(O)c1nc(O)nc2c1CCCC2
10.38	IUPAC digitized pKa	-1	-2	O=C([O-])c1nc(O)nc2c1CCCC2	O=C([O-])c1nc([O-])nc2c1CCCC2	mol11020	O=C(O)c1nc(O)nc2c1CCCC2