[
  {
    "molid": "mol15924",
    "smiles": "CC([SeH])CN",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H]([Se-])C[NH3+]",
        "std_free_energy": -9.642766952514648,
        "relative_population": 0.9999002572597351
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]([SeH])C[NH3+]",
        "std_free_energy": -6.5960235595703125,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]([Se-])CN",
        "std_free_energy": 0.3939152956008911,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.19,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.19000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]