pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	Datawarrior	1	0	[NH3+]c1ccc2c(c1)CCCC2	Nc1ccc2c(c1)CCCC2	mol1217	Nc1ccc2c(c1)CCCC2
5.1999998	OCHEM	1	0	[NH3+]c1ccc2c(c1)CCCC2	Nc1ccc2c(c1)CCCC2	mol1217	Nc1ccc2c(c1)CCCC2
5.17	Hunt	1	0	[NH3+]c1ccc2c(c1)CCCC2	Nc1ccc2c(c1)CCCC2	mol1217	Nc1ccc2c(c1)CCCC2
5.19999980926514	QSARToolbox	1	0	[NH3+]c1ccc2c(c1)CCCC2	Nc1ccc2c(c1)CCCC2	mol1217	Nc1ccc2c(c1)CCCC2
5.17000007629395	QSARToolbox	1	0	[NH3+]c1ccc2c(c1)CCCC2	Nc1ccc2c(c1)CCCC2	mol1217	Nc1ccc2c(c1)CCCC2