pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.13	IUPAC digitized pKa	1	0	[NH3+]Nc1ccc(C(=O)O)cc1,N[NH2+]c1ccc(C(=O)O)cc1	NNc1ccc(C(=O)O)cc1,N[NH2+]c1ccc(C(=O)[O-])cc1,[NH3+]Nc1ccc(C(=O)[O-])cc1	mol8824	NNc1ccc(C(=O)O)cc1
4.13000011444092	QSARToolbox	1	0	[NH3+]Nc1ccc(C(=O)O)cc1,N[NH2+]c1ccc(C(=O)O)cc1	NNc1ccc(C(=O)O)cc1,N[NH2+]c1ccc(C(=O)[O-])cc1,[NH3+]Nc1ccc(C(=O)[O-])cc1	mol8824	NNc1ccc(C(=O)O)cc1