[
  {
    "molid": "mol36398",
    "smiles": "Cc1ccc(N=Nc2ccc(N(C)C)cc2)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(N=Nc2ccc(N(C)C)cc2)cc1Cl",
        "std_free_energy": -7.568876266479492,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(N=[NH+]c2ccc(N(C)C)cc2)cc1Cl",
        "std_free_energy": 2.5873897075653076,
        "relative_population": 0.20171511384688487
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(N=Nc2ccc([NH+](C)C)cc2)cc1Cl",
        "std_free_energy": 1.2117805480957031,
        "relative_population": 0.7982848861531152
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0699999332428,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]