[
  {
    "molid": "mol35889",
    "smiles": "CCOP(=O)(CNC(C)(C)C)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOP(=O)(CNC(C)(C)C)OCC",
        "std_free_energy": -3.500612735748291,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOP(=O)(C[NH2+]C(C)(C)C)OCC",
        "std_free_energy": -7.469720363616943,
        "relative_population": 0.9967049059703569
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.3899998664856,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]