[
  {
    "molid": "mol25841",
    "smiles": "Cc1cc(O)nc(NC(=N)Nc2ccc(Cl)cc2)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)nc(NC(=N)Nc2ccc(Cl)cc2)n1",
        "std_free_energy": -4.952976703643799,
        "relative_population": 0.9353367673913779
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)nc(NC(=[N-])Nc2ccc(Cl)cc2)n1",
        "std_free_energy": 5.509152412414551,
        "relative_population": 0.23923008329731338
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([O-])nc(NC(=N)Nc2ccc(Cl)cc2)n1",
        "std_free_energy": 4.3859333992004395,
        "relative_population": 0.7355693268151247
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]