[
  {
    "molid": "mol30824",
    "smiles": "O=[N+]([O-])c1cccc(/N=N/c2ccc(O)cc2O)c1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cccc(/N=N/c2ccc(O)cc2[O-])c1",
        "std_free_energy": -3.1868703365325928,
        "relative_population": 0.4651613024980342
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cccc(/N=N/c2ccc([O-])cc2O)c1",
        "std_free_energy": -3.3262932300567627,
        "relative_population": 0.5347541593498786
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1cccc(/N=N/c2ccc([O-])cc2[O-])c1",
        "std_free_energy": 6.833968162536621,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.63,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]