[
  {
    "molid": "mol38071",
    "smiles": "C[C@@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C",
        "std_free_energy": -7.570003986358643,
        "relative_population": 0.5352624788752695
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@H]([NH3+])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C",
        "std_free_energy": -7.428719520568848,
        "relative_population": 0.46473752112473043
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[C@@H]([NH3+])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C",
        "std_free_energy": -10.457137107849121,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.18000030517578,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]