[
  {
    "molid": "mol36270",
    "smiles": "O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C/c1ccc2c(c1)OCCOCCOCCOCCOCCO2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C/c1ccc2c(c1)OCCOCCOCCOCCOCCO2",
        "std_free_energy": -5.826800346374512,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1[N-]/N=C/c1ccc2c(c1)OCCOCCOCCOCCOCCO2",
        "std_free_energy": 2.2372090816497803,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.039999961853,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]