[
  {
    "molid": "mol32691",
    "smiles": "O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1cccc2c1OCCO2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc2c1OCCO2",
        "std_free_energy": -3.7918105125427246,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)c1cccc2c1OCCO2",
        "std_free_energy": -8.930126190185547,
        "relative_population": 0.9980122238956942
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6800003,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]