pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.47	IUPAC digitized pKa	1	0	Nc1n[nH+]c(Cc2ccc(Cl)cc2)c(N)n1,Nc1nc([NH3+])nnc1Cc1ccc(Cl)cc1,Nc1nnc(Cc2ccc(Cl)cc2)c([NH3+])n1,Nc1nnc(Cc2ccc(Cl)cc2)c(N)[nH+]1,Nc1nc(N)c(Cc2ccc(Cl)cc2)n[nH+]1	Nc1nnc(Cc2ccc(Cl)cc2)c(N)n1	mol7603	Nc1nnc(Cc2ccc(Cl)cc2)c(N)n1
6.46999979019165	QSARToolbox	1	0	Nc1n[nH+]c(Cc2ccc(Cl)cc2)c(N)n1,Nc1nc([NH3+])nnc1Cc1ccc(Cl)cc1,Nc1nnc(Cc2ccc(Cl)cc2)c([NH3+])n1,Nc1nnc(Cc2ccc(Cl)cc2)c(N)[nH+]1,Nc1nc(N)c(Cc2ccc(Cl)cc2)n[nH+]1	Nc1nnc(Cc2ccc(Cl)cc2)c(N)n1	mol7603	Nc1nnc(Cc2ccc(Cl)cc2)c(N)n1