[
  {
    "molid": "mol30751",
    "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c2c(c1O)CCCC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c2c(c1O)CCCC2",
        "std_free_energy": -1.3590166568756104,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c2c(c1[O-])CCCC2",
        "std_free_energy": -7.4365363121032715,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]