pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.79	IUPAC digitized pKa	1	0	Nc1cnc(Cl)cc1[NH3+],Nc1c[nH+]c(Cl)cc1N,Nc1cc(Cl)ncc1[NH3+]	Nc1cnc(Cl)cc1N	mol6408	Nc1cnc(Cl)cc1N
4.78999996185303	QSARToolbox	1	0	Nc1cnc(Cl)cc1[NH3+],Nc1c[nH+]c(Cl)cc1N,Nc1cc(Cl)ncc1[NH3+]	Nc1cnc(Cl)cc1N	mol6408	Nc1cnc(Cl)cc1N
0.08	IUPAC digitized pKa	2	1	Nc1cc(Cl)[nH+]cc1[NH3+],Nc1c[nH+]c(Cl)cc1[NH3+],[NH3+]c1cnc(Cl)cc1[NH3+]	Nc1cnc(Cl)cc1[NH3+],Nc1c[nH+]c(Cl)cc1N,Nc1cc(Cl)ncc1[NH3+]	mol6408	Nc1cnc(Cl)cc1N
0.800000011920929	QSARToolbox	2	1	Nc1cc(Cl)[nH+]cc1[NH3+],Nc1c[nH+]c(Cl)cc1[NH3+],[NH3+]c1cnc(Cl)cc1[NH3+]	Nc1cnc(Cl)cc1[NH3+],Nc1c[nH+]c(Cl)cc1N,Nc1cc(Cl)ncc1[NH3+]	mol6408	Nc1cnc(Cl)cc1N