pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.78	Datawarrior	1	0	Nc1ncnc(N)c1[NH3+],Nc1nc[nH+]c(N)c1N,Nc1ncnc([NH3+])c1N	Nc1ncnc(N)c1N	mol13671	Nc1ncnc(N)c1N
1.47	Datawarrior	1	0	Nc1ncnc(N)c1[NH3+],Nc1nc[nH+]c(N)c1N,Nc1ncnc([NH3+])c1N	Nc1ncnc(N)c1N	mol13671	Nc1ncnc(N)c1N
5.7800002	OCHEM	1	0	Nc1ncnc(N)c1[NH3+],Nc1nc[nH+]c(N)c1N,Nc1ncnc([NH3+])c1N	Nc1ncnc(N)c1N	mol13671	Nc1ncnc(N)c1N
5.75	QSARToolbox	1	0	Nc1ncnc(N)c1[NH3+],Nc1nc[nH+]c(N)c1N,Nc1ncnc([NH3+])c1N	Nc1ncnc(N)c1N	mol13671	Nc1ncnc(N)c1N
1.4099999666214	QSARToolbox	1	0	Nc1ncnc(N)c1[NH3+],Nc1nc[nH+]c(N)c1N,Nc1ncnc([NH3+])c1N	Nc1ncnc(N)c1N	mol13671	Nc1ncnc(N)c1N