[
  {
    "molid": "mol11711",
    "smiles": "CCC1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O",
        "std_free_energy": -6.072645664215088,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)[N-]C1=O",
        "std_free_energy": -0.7948100566864014,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]