[
  {
    "molid": "mol9780",
    "smiles": "NC(=O)CCC(CC([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)CCC(CC([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.53641939163208,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)CCC(C[C-]([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.4262518882751465,
        "relative_population": 0.999847537623146
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]