[
  {
    "molid": "mol20860",
    "smiles": "CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O",
        "std_free_energy": -2.7435302734375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O",
        "std_free_energy": -7.066656112670898,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 4.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]