pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.66	Datawarrior	1	0	[NH3+]CCc1ccc(Cl)cc1	NCCc1ccc(Cl)cc1	mol13033	NCCc1ccc(Cl)cc1
9.6599998	OCHEM	1	0	[NH3+]CCc1ccc(Cl)cc1	NCCc1ccc(Cl)cc1	mol13033	NCCc1ccc(Cl)cc1
9.65999984741211	QSARToolbox	1	0	[NH3+]CCc1ccc(Cl)cc1	NCCc1ccc(Cl)cc1	mol13033	NCCc1ccc(Cl)cc1