[
  {
    "molid": "mol15888",
    "smiles": "CN(C)CC[SeH]",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)CC[Se-]",
        "std_free_energy": -9.680464744567871,
        "relative_population": 0.9997001655530771
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CC[SeH]",
        "std_free_energy": -4.957433700561523,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)CC[Se-]",
        "std_free_energy": -0.17893947660923004,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.81,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.74,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.73999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]