[
  {
    "molid": "mol35397",
    "smiles": "CCCCNCP(=O)(OC(C)C)OC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNCP(=O)(OC(C)C)OC(C)C",
        "std_free_energy": -3.4763050079345703,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCC[NH2+]CP(=O)(OC(C)C)OC(C)C",
        "std_free_energy": -6.964537620544434,
        "relative_population": 0.9953382692323419
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]