[
  {
    "molid": "mol32239",
    "smiles": "COC(=O)CC1c2ccc(Cl)cc2NC(=O)C1S(C)(=O)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(C)(=O)=O",
        "std_free_energy": -5.583874225616455,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)C[C@H]1c2ccc(Cl)cc2[N-]C(=O)[C@H]1S(C)(=O)=O",
        "std_free_energy": 1.9176267385482788,
        "relative_population": 0.8702993851392131
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C-]1S(C)(=O)=O",
        "std_free_energy": 3.821235179901123,
        "relative_population": 0.1297006148607868
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]