[
  {
    "molid": "mol35664",
    "smiles": "CCN1C(=O)NC(=O)CC1C(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCN1C(=O)NC(=O)C[C@@H]1C(=O)[O-]",
        "std_free_energy": -11.366232872009277,
        "relative_population": 0.9997916425447079
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCN1C(=O)[N-]C(=O)C[C@@H]1C(=O)[O-]",
        "std_free_energy": 3.6275548934936523,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.2200002670288,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]