pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.82	IUPAC digitized pKa	1	0	[NH3+]Nc1ccc2ccccc2n1,NNc1ccc2ccccc2[nH+]1,N[NH2+]c1ccc2ccccc2n1	NNc1ccc2ccccc2n1	mol7741	NNc1ccc2ccccc2n1
7.82000017166138	QSARToolbox	1	0	[NH3+]Nc1ccc2ccccc2n1,NNc1ccc2ccccc2[nH+]1,N[NH2+]c1ccc2ccccc2n1	NNc1ccc2ccccc2n1	mol7741	NNc1ccc2ccccc2n1
2.0	IUPAC digitized pKa	2	1	N[NH2+]c1ccc2ccccc2[nH+]1,[NH3+][NH2+]c1ccc2ccccc2n1,[NH3+]Nc1ccc2ccccc2[nH+]1	[NH3+]Nc1ccc2ccccc2n1,NNc1ccc2ccccc2[nH+]1,N[NH2+]c1ccc2ccccc2n1	mol7741	NNc1ccc2ccccc2n1