pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.52	IUPAC digitized pKa	1	0	Nc1nc([NH3+])ncc1Cl,Nc1ncc(Cl)c([NH3+])n1,Nc1nc(N)c(Cl)c[nH+]1,Nc1ncc(Cl)c(N)[nH+]1	Nc1ncc(Cl)c(N)n1	mol7257	Nc1ncc(Cl)c(N)n1
5.51999998092651	QSARToolbox	1	0	Nc1nc([NH3+])ncc1Cl,Nc1ncc(Cl)c([NH3+])n1,Nc1nc(N)c(Cl)c[nH+]1,Nc1ncc(Cl)c(N)[nH+]1	Nc1ncc(Cl)c(N)n1	mol7257	Nc1ncc(Cl)c(N)n1