[
  {
    "molid": "mol31897",
    "smiles": "CCCCN(CCCC)CP(=O)(OCC)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCN(CCCC)CP(=O)(OCC)OCC",
        "std_free_energy": -4.203709125518799,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCC[NH+](CCCC)CP(=O)(OCC)OCC",
        "std_free_energy": -6.325681209564209,
        "relative_population": 0.9936994810022205
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.59,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]