[
  {
    "molid": "mol31666",
    "smiles": "C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1",
        "std_free_energy": -6.250089645385742,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[Si](Cn1cnc[nH+]1)(c1ccc(F)cc1)c1ccc(F)cc1",
        "std_free_energy": 3.6389198303222656,
        "relative_population": 0.4547505831075964
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[Si](Cn1c[nH+]cn1)(c1ccc(F)cc1)c1ccc(F)cc1",
        "std_free_energy": 3.457425594329834,
        "relative_population": 0.5452494168924037
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]