[
  {
    "molid": "mol34104",
    "smiles": "Cc1ccc(NC(=N)NC(=N)N)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(NC(=N)NC(=N)N)cc1",
        "std_free_energy": -0.7840900421142578,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(NC(=N)NC(N)=[NH2+])cc1",
        "std_free_energy": -9.809776306152344,
        "relative_population": 0.5546238282063829
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(NC(=[NH2+])NC(=N)N)cc1",
        "std_free_energy": -9.590405464172363,
        "relative_population": 0.44537617179361716
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8400001525879,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]