[
  {
    "molid": "mol32663",
    "smiles": "CCc1ccc(N=Nc2ccc(N(C)C)cc2)cc1CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1ccc(N=Nc2ccc(N(C)C)cc2)cc1CC",
        "std_free_energy": -7.659196853637695,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1ccc(N=[NH+]c2ccc(N(C)C)cc2)cc1CC",
        "std_free_energy": 2.975687026977539,
        "relative_population": 0.16799067539029108
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1ccc(N=Nc2ccc([NH+](C)C)cc2)cc1CC",
        "std_free_energy": 1.3757518529891968,
        "relative_population": 0.8320093246097089
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5799999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.57999992370605,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]