[
  {
    "molid": "mol38115",
    "smiles": "C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C",
        "std_free_energy": -7.439574718475342,
        "relative_population": 0.5287785392246395
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C",
        "std_free_energy": -7.324333190917969,
        "relative_population": 0.47122146077536053
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C",
        "std_free_energy": -11.135297775268555,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.14999961853027,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]