pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.65	Datawarrior	1	0	[NH3+]CCc1ccc(Br)cc1	NCCc1ccc(Br)cc1	mol13034	NCCc1ccc(Br)cc1
9.6499996	OCHEM	1	0	[NH3+]CCc1ccc(Br)cc1	NCCc1ccc(Br)cc1	mol13034	NCCc1ccc(Br)cc1
9.64999961853027	QSARToolbox	1	0	[NH3+]CCc1ccc(Br)cc1	NCCc1ccc(Br)cc1	mol13034	NCCc1ccc(Br)cc1