[
  {
    "molid": "mol32699",
    "smiles": "CC(C)(C)C1(O)CCN2CC(c3ccccc3)c3ccccc3C2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)[C@@]1(O)CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1",
        "std_free_energy": -5.718544006347656,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)(C)[C@@]1(O)CC[NH+]2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1",
        "std_free_energy": -7.241596221923828,
        "relative_population": 0.9955128951200917
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0300002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]