pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.36	IUPAC digitized pKa	1	0	NNc1cccc2[nH+]cccc12,N[NH2+]c1cccc2ncccc12,[NH3+]Nc1cccc2ncccc12	NNc1cccc2ncccc12	mol7744	NNc1cccc2ncccc12
5.3600001335144	QSARToolbox	1	0	NNc1cccc2[nH+]cccc12,N[NH2+]c1cccc2ncccc12,[NH3+]Nc1cccc2ncccc12	NNc1cccc2ncccc12	mol7744	NNc1cccc2ncccc12
3.5	IUPAC digitized pKa	2	1	[NH3+][NH2+]c1cccc2ncccc12,[NH3+]Nc1cccc2[nH+]cccc12	NNc1cccc2[nH+]cccc12,N[NH2+]c1cccc2ncccc12,[NH3+]Nc1cccc2ncccc12	mol7744	NNc1cccc2ncccc12