[
  {
    "molid": "mol35385",
    "smiles": "CCCCCNCP(=O)(OCC)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCNCP(=O)(OCC)OCC",
        "std_free_energy": -3.313913345336914,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCC[NH2+]CP(=O)(OCC)OCC",
        "std_free_energy": -6.897453308105469,
        "relative_population": 0.9902385869686744
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.67000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]