[
  {
    "molid": "mol37225",
    "smiles": "COC(=O)C(N)C(C)(C)S",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "COC(=O)[C@@H](N)C(C)(C)S",
        "std_free_energy": -5.6423163414001465,
        "relative_population": 0.9779528941284201
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COC(=O)[C@@H]([NH3+])C(C)(C)S",
        "std_free_energy": -5.55485200881958,
        "relative_population": 0.9997960479946771
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]