pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.16	IUPAC digitized pKa	1	0	Nc1ncc(Oc2ccc(Cl)cc2)c(N)[nH+]1,Nc1nc([NH3+])ncc1Oc1ccc(Cl)cc1,Nc1nc(N)c(Oc2ccc(Cl)cc2)c[nH+]1,Nc1ncc(Oc2ccc(Cl)cc2)c([NH3+])n1	Nc1ncc(Oc2ccc(Cl)cc2)c(N)n1	mol7263	Nc1ncc(Oc2ccc(Cl)cc2)c(N)n1
6.15999984741211	QSARToolbox	1	0	Nc1ncc(Oc2ccc(Cl)cc2)c(N)[nH+]1,Nc1nc([NH3+])ncc1Oc1ccc(Cl)cc1,Nc1nc(N)c(Oc2ccc(Cl)cc2)c[nH+]1,Nc1ncc(Oc2ccc(Cl)cc2)c([NH3+])n1	Nc1ncc(Oc2ccc(Cl)cc2)c(N)n1	mol7263	Nc1ncc(Oc2ccc(Cl)cc2)c(N)n1