[
  {
    "molid": "mol17502",
    "smiles": "CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3",
        "std_free_energy": -4.616300106048584,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[O-])OCC3",
        "std_free_energy": -9.435832977294922,
        "relative_population": 0.9999999811627015
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]