[
  {
    "molid": "mol35393",
    "smiles": "CCCCNC(=O)NN(C(=O)NCCCC)C([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNC(=O)NN(C(=O)NCCCC)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -6.351840496063232,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCNC(=O)NN(C(=O)NCCCC)[C-]([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.8836283683776855,
        "relative_population": 0.934030683956394
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCCCNC(=O)[N-]N(C(=O)NCCCC)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -3.1267967224121094,
        "relative_population": 0.059304052577225895
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.67000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]