[
  {
    "molid": "mol32704",
    "smiles": "CC(CCCN)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](CCCN)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C",
        "std_free_energy": -1.5702259540557861,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H](CCC[NH3+])[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C",
        "std_free_energy": -8.920441627502441,
        "relative_population": 0.9976064576134773
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]