pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.18	Datawarrior	0	-1	On1nnc2cc(Cl)ccc21	[O-]n1nnc2cc(Cl)ccc21	mol14038	On1nnc2cc(Cl)ccc21
4.1799998	OCHEM	0	-1	On1nnc2cc(Cl)ccc21	[O-]n1nnc2cc(Cl)ccc21	mol14038	On1nnc2cc(Cl)ccc21
4.17999982833862	QSARToolbox	0	-1	On1nnc2cc(Cl)ccc21	[O-]n1nnc2cc(Cl)ccc21	mol14038	On1nnc2cc(Cl)ccc21