[
  {
    "molid": "mol34468",
    "smiles": "CC(C)N1C(=O)NC(=O)C1CC(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)N1C(=O)NC(=O)[C@H]1CC(=O)[O-]",
        "std_free_energy": -10.06437873840332,
        "relative_population": 0.9992524908077148
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)N1C(=O)[N-]C(=O)[C@H]1CC(=O)[O-]",
        "std_free_energy": -0.7627657651901245,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.97000026702881,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]