pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	Datawarrior	0	-1	On1nnc2c(Cl)cccc21	[O-]n1nnc2c(Cl)cccc21	mol14037	On1nnc2c(Cl)cccc21
3.9000001	OCHEM	0	-1	On1nnc2c(Cl)cccc21	[O-]n1nnc2c(Cl)cccc21	mol14037	On1nnc2c(Cl)cccc21
3.90000009536743	QSARToolbox	0	-1	On1nnc2c(Cl)cccc21	[O-]n1nnc2c(Cl)cccc21	mol14037	On1nnc2c(Cl)cccc21