[
  {
    "molid": "mol35891",
    "smiles": "CCOP(=O)(CNCC(C)C)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOP(=O)(CNCC(C)C)OCC",
        "std_free_energy": -3.7821950912475586,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOP(=O)(C[NH2+]CC(C)C)OCC",
        "std_free_energy": -6.726935863494873,
        "relative_population": 0.996910429165079
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6399998664856,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]