[
  {
    "molid": "mol33765",
    "smiles": "CCOc1ccc(C(=O)OCCN(CC)CC)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc(C(=O)OCCN(CC)CC)cc1",
        "std_free_energy": -3.548943519592285,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1",
        "std_free_energy": -7.360056400299072,
        "relative_population": 0.9998917493784387
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.07999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.22999954223633,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.89000034332275,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]