[
  {
    "molid": "mol34673",
    "smiles": "CC(=NO)C(=NO)C(=O)Nc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=NO)C(=NO)C(=O)Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -7.020200252532959,
        "relative_population": 0.9999958636377733
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=N[O-])C(=NO)C(=O)Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -2.1228268146514893,
        "relative_population": 0.24837026804300136
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=NO)C(=N[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -3.171750783920288,
        "relative_population": 0.7089922661024022
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8899998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]