[
  {
    "molid": "mol32674",
    "smiles": "CC=C1CN2C3CC45c6ccccc6N(C)C4C2CC1C3C5O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC=C1CN2[C@@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@H]2C[C@H]1[C@H]3[C@H]5O",
        "std_free_energy": -3.7465877532958984,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC=C1C[NH+]2[C@@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@H]2C[C@H]1[C@H]3[C@H]5O",
        "std_free_energy": -8.585419654846191,
        "relative_population": 0.9485495797666693
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]