[
  {
    "molid": "mol15923",
    "smiles": "NCCC[SeH]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CCC[Se-]",
        "std_free_energy": -9.639156341552734,
        "relative_population": 0.9999126633188794
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCC[SeH]",
        "std_free_energy": -8.909764289855957,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NCCC[Se-]",
        "std_free_energy": 0.8290624022483826,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.26999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]