pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.67	IUPAC digitized pKa	1	0	CC[C@H](C)[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1	CC[C@H](C)N1CCC(c2ccccc2)(c2ccccc2)CC1	mol3587	CCC(C)N1CCC(c2ccccc2)(c2ccccc2)CC1
9.67000007629395	QSARToolbox	1	0	CC[C@H](C)[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1	CC[C@H](C)N1CCC(c2ccccc2)(c2ccccc2)CC1	mol3587	CCC(C)N1CCC(c2ccccc2)(c2ccccc2)CC1