[
  {
    "molid": "mol35399",
    "smiles": "CCCCNCP(=O)(OCC(C)C)OCC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNCP(=O)(OCC(C)C)OCC(C)C",
        "std_free_energy": -2.931832790374756,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCC[NH2+]CP(=O)(OCC(C)C)OCC(C)C",
        "std_free_energy": -7.440073490142822,
        "relative_population": 0.9887279840167745
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.21000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]