[
  {
    "molid": "mol32442",
    "smiles": "O=C1NC(=O)C(CSSCC2NC(=O)NC2=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=O)[C@H](CSSC[C@@H]2NC(=O)NC2=O)N1",
        "std_free_energy": -5.954477787017822,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-]C(=O)[C@H](CSSC[C@@H]2NC(=O)NC2=O)N1",
        "std_free_energy": -2.393746852874756,
        "relative_population": 0.6668669086056707
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[N-][C@@H](CSSC[C@@H]2NC(=O)NC2=O)C(=O)N1",
        "std_free_energy": -1.6996984481811523,
        "relative_population": 0.3331330913943293
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.1000004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]