[
  {
    "molid": "mol38057",
    "smiles": "COc1ccc2c(c1)OCC(C)CN2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1)OC[C@@H](C)CN2",
        "std_free_energy": -3.7856435775756836,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2c(c1)OC[C@@H](C)C[NH2+]2",
        "std_free_energy": -2.2757887840270996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.05000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]