pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84	OCHEM	1	0	CCc1ccc(C(=O)[C@H](C)C[NH+]2CCCC2)cc1	CCc1ccc(C(=O)[C@H](C)CN2CCCC2)cc1	mol32921	CCc1ccc(C(=O)C(C)CN2CCCC2)cc1
9.18000030517578	QSARToolbox	1	0	CCc1ccc(C(=O)[C@H](C)C[NH+]2CCCC2)cc1	CCc1ccc(C(=O)[C@H](C)CN2CCCC2)cc1	mol32921	CCc1ccc(C(=O)C(C)CN2CCCC2)cc1