[
  {
    "molid": "mol36530",
    "smiles": "CNC(=O)NN(C(=O)NC)C([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=O)NN(C(=O)NC)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.854310035705566,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC(=O)NN(C(=O)NC)[C-]([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.9421281814575195,
        "relative_population": 0.8654432818947522
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CNC(=O)[N-]N(C(=O)NC)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -4.0201096534729,
        "relative_population": 0.12662415791254805
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8199999332428,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]