[
  {
    "molid": "mol35120",
    "smiles": "C[C@]12CC(=O)N[C@@]1(CCC(=O)O)C(=O)NC2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]12CC(=O)N[C@@]1(CCC(=O)O)C(=O)NC2=O",
        "std_free_energy": -3.458038330078125,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@]12CC(=O)N[C@@]1(CCC(=O)[O-])C(=O)NC2=O",
        "std_free_energy": -8.614469528198242,
        "relative_population": 0.9957197638584616
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]