[
  {
    "molid": "mol37566",
    "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/N=N/c2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/N=N/c2ccc(O)cc2)cc1",
        "std_free_energy": -5.640002250671387,
        "relative_population": 0.999999983609161
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/N=N/c2ccc([O-])cc2)cc1",
        "std_free_energy": -1.9481127262115479,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8100004196167,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]