[
  {
    "molid": "mol37447",
    "smiles": "CCC(C)(S)[C@H](N)C(=O)O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CC[C@](C)(S)[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -11.294830322265625,
        "relative_population": 0.9999126606401015
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@](C)(S)[C@H](N)C(=O)[O-]",
        "std_free_energy": -7.8172287940979,
        "relative_population": 0.8817449221292506
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC[C@](C)([S-])[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -5.806748390197754,
        "relative_population": 0.11808709038455065
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.10000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]