[
  {
    "molid": "mol36343",
    "smiles": "O=C(O)[C@H]1CC[C@H](C(=O)O)[Se]1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H]1CC[C@H](C(=O)O)[Se]1",
        "std_free_energy": -8.061956405639648,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@H]1CC[C@H](C(=O)[O-])[Se]1",
        "std_free_energy": -13.58106803894043,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.34999990463257,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.46000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]