[
  {
    "molid": "mol11710",
    "smiles": "CC1(c2ccccc2)C(=O)NC(=O)C1C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]1(c2ccccc2)C(=O)NC(=O)[C@H]1C(N)=O",
        "std_free_energy": -5.822909355163574,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@]1(c2ccccc2)C(=O)[N-]C(=O)[C@H]1C(N)=O",
        "std_free_energy": -1.451277494430542,
        "relative_population": 0.6324391738072624
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@]1(c2ccccc2)C(=O)NC(=O)[C-]1C(N)=O",
        "std_free_energy": -0.5064201951026917,
        "relative_population": 0.24585126733488866
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@]1(c2ccccc2)C(=O)NC(=O)[C@H]1C([NH-])=O",
        "std_free_energy": 0.19666901230812073,
        "relative_population": 0.12170955885784893
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.69,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]