[
  {
    "molid": "mol2729",
    "smiles": "O=C1CC(=O)CC(c2ccccc2)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC(=O)CC(c2ccccc2)C1",
        "std_free_energy": -4.257368087768555,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[CH-]C(=O)CC(c2ccccc2)C1",
        "std_free_energy": -6.531373500823975,
        "relative_population": 0.9999260136116132
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]