pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.83	IUPAC digitized pKa	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.82	IUPAC digitized pKa	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.81	IUPAC digitized pKa	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
3.55	IUPAC digitized pKa	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.95	IUPAC digitized pKa	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.73	IUPAC digitized pKa	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.76	IUPAC digitized pKa	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.78	IUPAC digitized pKa	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.89	IUPAC digitized pKa	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.8299999	OCHEM	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.75	QSARToolbox	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.84999990463257	QSARToolbox	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.82000017166138	QSARToolbox	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
4.8	Jensen	0	-1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	O=C([O-])c1cccnc1	mol357	O=C(O)c1cccnc1
2.03	IUPAC digitized pKa	1	0	O=C(O)c1ccc[nH+]c1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	mol357	O=C(O)c1cccnc1
2.0	IUPAC digitized pKa	1	0	O=C(O)c1ccc[nH+]c1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	mol357	O=C(O)c1cccnc1
2.07	IUPAC digitized pKa	1	0	O=C(O)c1ccc[nH+]c1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	mol357	O=C(O)c1cccnc1
2.05	OCHEM	1	0	O=C(O)c1ccc[nH+]c1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	mol357	O=C(O)c1cccnc1
2.4	OCHEM	1	0	O=C(O)c1ccc[nH+]c1	O=C([O-])c1ccc[nH+]c1,O=C(O)c1cccnc1	mol357	O=C(O)c1cccnc1