[
  {
    "molid": "mol36308",
    "smiles": "O=C(O)C[Se]c1ccc(C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[Se]c1ccc(C(=O)O)cc1",
        "std_free_energy": -1.19783353805542,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C[Se]c1ccc(C(=O)O)cc1",
        "std_free_energy": -8.789426803588867,
        "relative_population": 0.6769128007647393
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)C[Se]c1ccc(C(=O)[O-])cc1",
        "std_free_energy": -8.049806594848633,
        "relative_population": 0.3230871992352608
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.49000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]