[
  {
    "molid": "mol38062",
    "smiles": "CSCC(O)(CS)c1ccccn1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CSC[C@](O)(CS)c1ccccn1",
        "std_free_energy": -6.452925205230713,
        "relative_population": 0.9975764669229223
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CSC[C@](O)(C[S-])c1ccccn1",
        "std_free_energy": -0.6028429269790649,
        "relative_population": 0.9998203017323611
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.710000038147,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]