[
  {
    "molid": "mol37226",
    "smiles": "CSC(C)(C)C(N)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CSC(C)(C)[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -11.226204872131348,
        "relative_population": 0.99994290030482
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CSC(C)(C)[C@H](N)C(=O)[O-]",
        "std_free_energy": -7.2081708908081055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.47999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]