pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47000026702881	QSARToolbox	2	1	CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC[NH2+]CCCCOCCC[NH3+]	CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCOCCC[NH3+],CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC[NH2+]CCCCOCCCN	mol35181	CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCNCCCCOCCCN