pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.93	IUPAC digitized pKa	1	0	[NH3+][C@H]1CCc2ccccc2C1	N[C@H]1CCc2ccccc2C1	mol3536	NC1CCc2ccccc2C1
9.97	Datawarrior	1	0	[NH3+][C@H]1CCc2ccccc2C1	N[C@H]1CCc2ccccc2C1	mol3536	NC1CCc2ccccc2C1
9.9700003	OCHEM	1	0	[NH3+][C@H]1CCc2ccccc2C1	N[C@H]1CCc2ccccc2C1	mol3536	NC1CCc2ccccc2C1
9.97000026702881	QSARToolbox	1	0	[NH3+][C@H]1CCc2ccccc2C1	N[C@H]1CCc2ccccc2C1	mol3536	NC1CCc2ccccc2C1
9.93000030517578	QSARToolbox	1	0	[NH3+][C@H]1CCc2ccccc2C1	N[C@H]1CCc2ccccc2C1	mol3536	NC1CCc2ccccc2C1