pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.87	Datawarrior	2	1	[NH3+]c1cccc([I+]c2ccccc2)c1	Nc1cccc([I+]c2ccccc2)c1	mol13419	Nc1cccc([I+]c2ccccc2)c1
1.87000000476837	QSARToolbox	2	1	[NH3+]c1cccc([I+]c2ccccc2)c1	Nc1cccc([I+]c2ccccc2)c1	mol13419	Nc1cccc([I+]c2ccccc2)c1