[
  {
    "molid": "mol34137",
    "smiles": "CN1C(=O)NC(=O)CC1c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)NC(=O)C[C@@H]1c1ccccc1",
        "std_free_energy": -7.28634786605835,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C(=O)[N-]C(=O)C[C@@H]1c1ccccc1",
        "std_free_energy": 4.268743991851807,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]