[
  {
    "molid": "mol35070",
    "smiles": "CC(C)C([Se]C#N)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)[C@H]([Se]C#N)C(=O)O",
        "std_free_energy": -2.793259859085083,
        "relative_population": 0.9999322172908134
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)[C@H]([Se]C#N)C(=O)[O-]",
        "std_free_energy": -10.58296012878418,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.58999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]