pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	OCHEM	1	0	[NH3+]c1ncc(-c2ccc(Cl)cc2)cn1,Nc1ncc(-c2ccc(Cl)cc2)c[nH+]1	Nc1ncc(-c2ccc(Cl)cc2)cn1	mol7023	Nc1ncc(-c2ccc(Cl)cc2)cn1
3.14000010490417	QSARToolbox	1	0	[NH3+]c1ncc(-c2ccc(Cl)cc2)cn1,Nc1ncc(-c2ccc(Cl)cc2)c[nH+]1	Nc1ncc(-c2ccc(Cl)cc2)cn1	mol7023	Nc1ncc(-c2ccc(Cl)cc2)cn1