[
  {
    "molid": "mol31822",
    "smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C/CCCCCCCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C/CCCCCCCC",
        "std_free_energy": -10.563640594482422,
        "relative_population": 0.9999638950442554
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCCN)OC(=O)CCCCCCC/C=C/CCCCCCCC",
        "std_free_energy": -4.126918315887451,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]