[
  {
    "molid": "mol38611",
    "smiles": "O=C1CC(=O)N(Cc2ccccc2)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC(=O)N(Cc2ccccc2)C1",
        "std_free_energy": -4.582082271575928,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[CH-]N(Cc2ccccc2)C(=O)C1",
        "std_free_energy": -4.987708568572998,
        "relative_population": 0.8198060768374741
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[CH-]C(=O)N(Cc2ccccc2)C1",
        "std_free_energy": -3.4726743698120117,
        "relative_population": 0.18019392316252586
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]