[
  {
    "molid": "mol22662",
    "smiles": "O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O",
        "std_free_energy": -3.2003588676452637,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O",
        "std_free_energy": -8.998739242553711,
        "relative_population": 0.5770196725461013
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -8.688188552856445,
        "relative_population": 0.42298032745389874
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -9.6254243850708,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.96000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.65999984741211,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.66,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]