[
  {
    "molid": "mol36359",
    "smiles": "O=C(O)/C=C\\C(=O)Nc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)/C=C\\C(=O)Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -3.3629989624023438,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])/C=C\\C(=O)Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -10.564512252807617,
        "relative_population": 0.9999704263320811
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.52999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.44000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]