[
  {
    "molid": "mol10048",
    "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c2cn[nH]c2c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c2cn[nH]c2c1O",
        "std_free_energy": -0.38575124740600586,
        "relative_population": 0.9998006986090917
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c2cn[nH]c2c1[O-]",
        "std_free_energy": -10.432905197143555,
        "relative_population": 0.9919277824949053
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]