[
  {
    "molid": "mol35401",
    "smiles": "CCCCNCP(=O)(OCCC(C)C)OCCC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNCP(=O)(OCCC(C)C)OCCC(C)C",
        "std_free_energy": -3.0222373008728027,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCC[NH2+]CP(=O)(OCCC(C)C)OCCC(C)C",
        "std_free_energy": -7.497882843017578,
        "relative_population": 0.9856320208584535
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.30999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]