[
  {
    "molid": "mol28032",
    "smiles": "N=C(N[N+](=O)[O-])n1cncn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N[N+](=O)[O-])n1cncn1",
        "std_free_energy": -4.608431339263916,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])n1cncn1",
        "std_free_energy": -9.361726760864258,
        "relative_population": 0.9980704031922314
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]