[
  {
    "molid": "mol36593",
    "smiles": "NC(CC(N)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+][C@@H](C[C@H]([NH3+])C(=O)O)C(=O)[O-]",
        "std_free_energy": -5.476493835449219,
        "relative_population": 0.9974460949354108
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "[NH3+][C@@H](C[C@H]([NH3+])C(=O)O)C(=O)O",
        "std_free_energy": 4.528094291687012,
        "relative_population": 0.9999983401551664
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.08999991416931,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]