[
  {
    "molid": "mol22541",
    "smiles": "O=C(O)/C=C(\\Cl)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)/C=C(\\Cl)C(=O)O",
        "std_free_energy": 2.268002510070801,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])/C=C(\\Cl)C(=O)O",
        "std_free_energy": -7.9089884757995605,
        "relative_population": 0.3527362497459737
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)/C=C(\\Cl)C(=O)[O-]",
        "std_free_energy": -8.516021728515625,
        "relative_population": 0.6472637502540263
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])/C=C(\\Cl)C(=O)[O-]",
        "std_free_energy": -14.779670715332031,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.77999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.81,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]