[
  {
    "molid": "mol37544",
    "smiles": "O=C(O)c1ccccc1N=Cc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1ccccc1N=Cc1ccc(O)cc1",
        "std_free_energy": -5.299339771270752,
        "relative_population": 0.06943570219116117
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])c1ccccc1[NH+]=Cc1ccc(O)cc1",
        "std_free_energy": -7.894620895385742,
        "relative_population": 0.9304629892248086
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1N=Cc1ccc(O)cc1",
        "std_free_energy": -8.956171035766602,
        "relative_population": 0.9938560024805168
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.17999982833862,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]