[
  {
    "molid": "mol35910",
    "smiles": "CCOc1ccc(C(=O)OCCN(CC)CC)cc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc(C(=O)OCCN(CC)CC)cc1OC",
        "std_free_energy": -3.736161708831787,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1OC",
        "std_free_energy": -7.016308784484863,
        "relative_population": 0.9996455107255516
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.72000026702881,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]