[
  {
    "molid": "mol35870",
    "smiles": "CCOC(=O)/C=C1/C=C(O)C(=O)S1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)/C=C1/C=C(O)C(=O)S1",
        "std_free_energy": -4.4039106369018555,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)/C=C1/C=C([O-])C(=O)S1",
        "std_free_energy": -2.5578556060791016,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.15000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]