pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	IUPAC digitized pKa	1	0	Nc1nc(N)[nH+]c(Cc2ccc(Cl)cc2)n1,Nc1nc(Cc2ccc(Cl)cc2)nc(N)[nH+]1,Nc1nc([NH3+])nc(Cc2ccc(Cl)cc2)n1	Nc1nc(N)nc(Cc2ccc(Cl)cc2)n1	mol7619	Nc1nc(N)nc(Cc2ccc(Cl)cc2)n1
3.97000002861023	QSARToolbox	1	0	Nc1nc(N)[nH+]c(Cc2ccc(Cl)cc2)n1,Nc1nc(Cc2ccc(Cl)cc2)nc(N)[nH+]1,Nc1nc([NH3+])nc(Cc2ccc(Cl)cc2)n1	Nc1nc(N)nc(Cc2ccc(Cl)cc2)n1	mol7619	Nc1nc(N)nc(Cc2ccc(Cl)cc2)n1