pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.22999954223633	QSARToolbox	2	1	CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCOCCCC[NH2+]CCC[NH3+]	CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCOCCCC[NH2+]CCCN,CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCOCCCCNCCC[NH3+]	mol35182	CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCOCCCCNCCCN