pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.79	IUPAC digitized pKa	1	0	Nc1nc([NH3+])ncc1-c1ccc(Cl)cc1,Nc1ncc(-c2ccc(Cl)cc2)c([NH3+])n1,Nc1ncc(-c2ccc(Cl)cc2)c(N)[nH+]1,Nc1nc(N)c(-c2ccc(Cl)cc2)c[nH+]1	Nc1ncc(-c2ccc(Cl)cc2)c(N)n1	mol7265	Nc1ncc(-c2ccc(Cl)cc2)c(N)n1
6.78999996185303	QSARToolbox	1	0	Nc1nc([NH3+])ncc1-c1ccc(Cl)cc1,Nc1ncc(-c2ccc(Cl)cc2)c([NH3+])n1,Nc1ncc(-c2ccc(Cl)cc2)c(N)[nH+]1,Nc1nc(N)c(-c2ccc(Cl)cc2)c[nH+]1	Nc1ncc(-c2ccc(Cl)cc2)c(N)n1	mol7265	Nc1ncc(-c2ccc(Cl)cc2)c(N)n1