[
  {
    "molid": "mol22610",
    "smiles": "O=C(O)CC(Cc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@H](Cc1ccccc1)C(=O)O",
        "std_free_energy": -2.5173535346984863,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C[C@H](Cc1ccccc1)C(=O)O",
        "std_free_energy": -8.776317596435547,
        "relative_population": 0.4419016072747536
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)C[C@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -9.009765625,
        "relative_population": 0.5580983927252463
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C[C@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -10.67933177947998,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1100001335144,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.41,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.6399998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.65,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]