[
  {
    "molid": "mol37787",
    "smiles": "O=C(O)[C@@H]([Se][C@@H](C(=O)O)c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)[C@@H]([Se][C@@H](C(=O)[O-])c1ccccc1)c1ccccc1",
        "std_free_energy": -9.065336227416992,
        "relative_population": 0.9999970269217171
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H]([Se][C@@H](C(=O)[O-])c1ccccc1)c1ccccc1",
        "std_free_energy": -11.975858688354492,
        "relative_population": 0.9999999905409089
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8199999332428,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]