[
  {
    "molid": "mol11875",
    "smiles": "CC1(Cc2ccccc2)C(=O)NC(=O)C1C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]1(Cc2ccccc2)C(=O)NC(=O)[C@@H]1C(N)=O",
        "std_free_energy": -6.208074569702148,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@]1(Cc2ccccc2)C(=O)[N-]C(=O)[C@@H]1C(N)=O",
        "std_free_energy": -0.6505978107452393,
        "relative_population": 0.5266785540052752
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@]1(Cc2ccccc2)C(=O)NC(=O)[C@@H]1C([NH-])=O",
        "std_free_energy": 0.7649326920509338,
        "relative_population": 0.12787585432630605
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@]1(Cc2ccccc2)C(=O)NC(=O)[C-]1C(N)=O",
        "std_free_energy": -0.22884255647659302,
        "relative_population": 0.3454455916684187
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]