[
  {
    "molid": "mol36074",
    "smiles": "CN(C)C(=O)CN1CCCN(CC(=O)N(C)C)CCCN(CC(=O)N(C)C)CCC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C(=O)CN1CCCN(CC(=O)N(C)C)CCC[NH+](CC(=O)N(C)C)CCC1",
        "std_free_energy": -7.466623306274414,
        "relative_population": 0.9984343314937197
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CN(C)C(=O)CN1CCC[NH+](CC(=O)N(C)C)CCC[NH+](CC(=O)N(C)C)CCC1",
        "std_free_energy": -6.877852916717529,
        "relative_population": 0.9997212166768522
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.15000009536743,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]