[
  {
    "molid": "mol28018",
    "smiles": "CN(N)C(=N)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(N)C(=N)N[N+](=O)[O-]",
        "std_free_energy": -5.403628349304199,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(N)C(=N)[N-][N+](=O)[O-]",
        "std_free_energy": -5.797287940979004,
        "relative_population": 0.9354244403561877
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN(N)C(=[N-])N[N+](=O)[O-]",
        "std_free_energy": -3.1241235733032227,
        "relative_population": 0.06457555964381226
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]