[
  {
    "molid": "mol34684",
    "smiles": "CC(=O)C(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)=C(O)/C=C/c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)/C(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)=C(O)/C=C/c1ccccc1",
        "std_free_energy": -2.405139923095703,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)/C(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)=C([O-])/C=C/c1ccccc1",
        "std_free_energy": -8.060385704040527,
        "relative_population": 0.9986047176340713
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]