[
  {
    "molid": "mol34061",
    "smiles": "CC1(C)CC(N)CC(C)(C)N1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)CC([NH3+])CC(C)(C)N1",
        "std_free_energy": -7.595569610595703,
        "relative_population": 0.34844310132145156
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1(C)CC(N)CC(C)(C)[NH2+]1",
        "std_free_energy": -8.22145938873291,
        "relative_population": 0.6515568986785484
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC1(C)CC([NH3+])CC(C)(C)[NH2+]1",
        "std_free_energy": -11.61562728881836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.90000009536743,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]