[
  {
    "molid": "mol32411",
    "smiles": "NC(=O)C(N)CSSCC(N)C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)[C@H](N)CSSC[C@H](N)C(N)=O",
        "std_free_energy": -6.459817409515381,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=O)[C@H]([NH3+])CSSC[C@H](N)C(N)=O",
        "std_free_energy": -6.4195146560668945,
        "relative_population": 0.9998635437056129
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.4099998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]