pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98	IUPAC digitized pKa	1	0	NNc1ncnc2ncc[nH+]c12,NNc1[nH+]cnc2nccnc12,NNc1ncnc2[nH+]ccnc12,NNc1nc[nH+]c2nccnc12	NNc1ncnc2nccnc12	mol4810	NNc1ncnc2nccnc12
4.0	QSARToolbox	1	0	NNc1ncnc2ncc[nH+]c12,NNc1[nH+]cnc2nccnc12,NNc1ncnc2[nH+]ccnc12,NNc1nc[nH+]c2nccnc12	NNc1ncnc2nccnc12	mol4810	NNc1ncnc2nccnc12