[
  {
    "molid": "mol17005",
    "smiles": "O=C(Nc1ccccc1)C1CN(c2ccccc2)C(=O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Nc1ccccc1)[C@@H]1CN(c2ccccc2)C(=O)C1=O",
        "std_free_energy": -5.44379997253418,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(Nc1ccccc1)[C-]1CN(c2ccccc2)C(=O)C1=O",
        "std_free_energy": -0.7198616862297058,
        "relative_population": 0.9604877293070619
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]