pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.72000002861023	QSARToolbox	1	0	CC(C)(C)NC(=O)C[NH+](CC[NH+](CC[NH+](CC(=O)[O-])CC(=O)NC(C)(C)C)CC(=O)O)CC(=O)[O-],CC(C)(C)NC(=O)C[NH+](CCN(CC[NH+](CC(=O)O)CC(=O)NC(C)(C)C)CC(=O)O)CC(=O)[O-],CC(C)(C)NC(=O)C[NH+](CC[NH+](CC[NH+](CC(=O)O)CC(=O)NC(C)(C)C)CC(=O)[O-])CC(=O)[O-]	CC(C)(C)NC(=O)C[NH+](CC[NH+](CC[NH+](CC(=O)[O-])CC(=O)NC(C)(C)C)CC(=O)[O-])CC(=O)[O-]	mol35020	CC(C)(C)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC(C)(C)C)CC(=O)O)CC(=O)O