[
  {
    "molid": "mol34702",
    "smiles": "CC(=O)C=C(S)Nc1cccc(C)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)C=C(S)Nc1cccc(C)c1",
        "std_free_energy": -5.092870235443115,
        "relative_population": 0.9984536492087772
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)C=C([S-])Nc1cccc(C)c1",
        "std_free_energy": -5.609386444091797,
        "relative_population": 0.9996648758228353
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.55999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]