[
  {
    "molid": "mol11505",
    "smiles": "CC(=O)C(C(C)=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(C(C)=O)c1ccccc1",
        "std_free_energy": -5.607420444488525,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)[C-](C(C)=O)c1ccccc1",
        "std_free_energy": 1.35691237449646,
        "relative_population": 0.9440465919569345
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C(=O)C(C(C)=O)c1ccccc1",
        "std_free_energy": 4.182568550109863,
        "relative_population": 0.05595340804306545
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.3199997,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]