[
  {
    "molid": "mol34290",
    "smiles": "CC(C)C1C(=O)NC(=O)N(C(C)C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)[C@@H]1C(=O)NC(=O)N(C(C)C)C1=O",
        "std_free_energy": -6.893435478210449,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)[C@@H]1C(=O)[N-]C(=O)N(C(C)C)C1=O",
        "std_free_energy": -3.1537282466888428,
        "relative_population": 0.9986321105867784
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.92000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]