[
  {
    "molid": "mol33166",
    "smiles": "CCC(N)(CO)OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@](N)(CO)OC",
        "std_free_energy": -4.2908406257629395,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[C@@]([NH3+])(CO)OC",
        "std_free_energy": -7.995491027832031,
        "relative_population": 0.99887158932798
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]