pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.22	Datawarrior	1	0	[NH3+]OCc1ccc(Cl)cc1	NOCc1ccc(Cl)cc1	mol13077	NOCc1ccc(Cl)cc1
4.2199998	OCHEM	1	0	[NH3+]OCc1ccc(Cl)cc1	NOCc1ccc(Cl)cc1	mol13077	NOCc1ccc(Cl)cc1
4.21999979019165	QSARToolbox	1	0	[NH3+]OCc1ccc(Cl)cc1	NOCc1ccc(Cl)cc1	mol13077	NOCc1ccc(Cl)cc1