[
  {
    "molid": "mol35196",
    "smiles": "CCCCC(CC)CNC(=N)NC(=N)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC[C@@H](CC)CNC(=N)NC(=N)N",
        "std_free_energy": 0.7665640115737915,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCC[C@@H](CC)CNC(=N)NC(=[N-])N",
        "std_free_energy": 7.94260835647583,
        "relative_population": 0.3202900055679044
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "CCCC[C@@H](CC)CNC(=[N-])NC(=N)N",
        "std_free_energy": 7.330118179321289,
        "relative_population": 0.5909415013003367
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]