pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.85	Datawarrior	2	1	[NH3+]CC[n+]1ccc2ccccc2c1	NCC[n+]1ccc2ccccc2c1	mol13752	NCC[n+]1ccc2ccccc2c1
6.8499999	OCHEM	2	1	[NH3+]CC[n+]1ccc2ccccc2c1	NCC[n+]1ccc2ccccc2c1	mol13752	NCC[n+]1ccc2ccccc2c1
6.84999990463257	QSARToolbox	2	1	[NH3+]CC[n+]1ccc2ccccc2c1	NCC[n+]1ccc2ccccc2c1	mol13752	NCC[n+]1ccc2ccccc2c1