pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.27	IUPAC digitized pKa	1	0	[NH3+]Nc1cccc2cccnc12,NNc1cccc2ccc[nH+]c12,N[NH2+]c1cccc2cccnc12	NNc1cccc2cccnc12	mol7747	NNc1cccc2cccnc12
5.26999998092651	QSARToolbox	1	0	[NH3+]Nc1cccc2cccnc12,NNc1cccc2ccc[nH+]c12,N[NH2+]c1cccc2cccnc12	NNc1cccc2cccnc12	mol7747	NNc1cccc2cccnc12
1.3	IUPAC digitized pKa	2	1	[NH3+][NH2+]c1cccc2cccnc12,[NH3+]Nc1cccc2ccc[nH+]c12,N[NH2+]c1cccc2ccc[nH+]c12	[NH3+]Nc1cccc2cccnc12,NNc1cccc2ccc[nH+]c12,N[NH2+]c1cccc2cccnc12	mol7747	NNc1cccc2cccnc12
1.29999995231628	QSARToolbox	2	1	[NH3+][NH2+]c1cccc2cccnc12,[NH3+]Nc1cccc2ccc[nH+]c12,N[NH2+]c1cccc2ccc[nH+]c12	[NH3+]Nc1cccc2cccnc12,NNc1cccc2ccc[nH+]c12,N[NH2+]c1cccc2cccnc12	mol7747	NNc1cccc2cccnc12