pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.18	IUPAC digitized pKa	0	-1	Nc1ccc[nH+]c1C(=O)[O-]	Nc1cccnc1C(=O)[O-]	mol3607	Nc1cccnc1C(=O)O
7.1799998	OCHEM	0	-1	Nc1ccc[nH+]c1C(=O)[O-]	Nc1cccnc1C(=O)[O-]	mol3607	Nc1cccnc1C(=O)O
7.17999982833862	QSARToolbox	0	-1	Nc1ccc[nH+]c1C(=O)[O-]	Nc1cccnc1C(=O)[O-]	mol3607	Nc1cccnc1C(=O)O
1.33	IUPAC digitized pKa	1	0	Nc1ccc[nH+]c1C(=O)O,[NH3+]c1cccnc1C(=O)O	Nc1ccc[nH+]c1C(=O)[O-]	mol3607	Nc1cccnc1C(=O)O