pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.78	Datawarrior	1	0	Nc1[nH+]nnn1-c1ccc(Cl)cc1,[NH3+]c1nnnn1-c1ccc(Cl)cc1	Nc1nnnn1-c1ccc(Cl)cc1	mol4299	Nc1nnnn1-c1ccc(Cl)cc1
0.77999997	OCHEM	1	0	Nc1[nH+]nnn1-c1ccc(Cl)cc1,[NH3+]c1nnnn1-c1ccc(Cl)cc1	Nc1nnnn1-c1ccc(Cl)cc1	mol4299	Nc1nnnn1-c1ccc(Cl)cc1
0.779999971389771	QSARToolbox	1	0	Nc1[nH+]nnn1-c1ccc(Cl)cc1,[NH3+]c1nnnn1-c1ccc(Cl)cc1	Nc1nnnn1-c1ccc(Cl)cc1	mol4299	Nc1nnnn1-c1ccc(Cl)cc1