[
  {
    "molid": "mol38576",
    "smiles": "O=C1NC(=O)C(c2ccccc2)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=O)[C@@H](c2ccccc2)N1",
        "std_free_energy": -6.4440507888793945,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[nH]c(=O)[c-](-c2ccccc2)[nH]1",
        "std_free_energy": -6.28029727935791,
        "relative_population": 0.9848778889507636
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.89000034332275,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]