pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.58999991416931	QSARToolbox	-1	-2	C[C@H]([C@H](C)[NH+](CC(=O)[O-])CC(=O)O)N(CC(=O)[O-])CC(=O)O,C[C@H]([C@H](C)N(CC(=O)O)CC(=O)O)N(CC(=O)[O-])CC(=O)O,C[C@H]([C@H](C)[NH+](CC(=O)[O-])CC(=O)O)[NH+](CC(=O)[O-])CC(=O)[O-],C[C@H]([C@H](C)[NH+](CC(=O)O)CC(=O)O)N(CC(=O)[O-])CC(=O)[O-],C[C@H]([C@H](C)N(CC(=O)O)CC(=O)O)[NH+](CC(=O)[O-])CC(=O)[O-]	C[C@H]([C@H](C)[NH+](CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	mol34996	CC(C(C)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O