[
  {
    "molid": "mol28185",
    "smiles": "CC(O)(S)CS",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@](O)(S)CS",
        "std_free_energy": -7.155795097351074,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@](O)(S)C[S-]",
        "std_free_energy": -1.503903865814209,
        "relative_population": 0.5274926278731055
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@@](O)([S-])CS",
        "std_free_energy": -1.3936506509780884,
        "relative_population": 0.4724262616808325
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]