[
  {
    "molid": "mol27517",
    "smiles": "NC(=O)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)N[N+](=O)[O-]",
        "std_free_energy": -5.766355037689209,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)[N-][N+](=O)[O-]",
        "std_free_energy": -9.084360122680664,
        "relative_population": 0.9999935395324018
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.186666667,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]