[
  {
    "molid": "mol34997",
    "smiles": "CC(C(=O)O)S(=O)(=O)CCS(=O)(=O)C(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](C(=O)O)S(=O)(=O)CCS(=O)(=O)[C@@H](C)C(=O)O",
        "std_free_energy": 0.12046675384044647,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](C(=O)O)S(=O)(=O)CCS(=O)(=O)[C@@H](C)C(=O)[O-]",
        "std_free_energy": -8.364326477050781,
        "relative_population": 0.9976671502276251
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.9099999666214,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]