[
  {
    "molid": "mol37117",
    "smiles": "O=C(CCC(=O)OO)NCCCCNC(=O)CCC(=O)OO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CCC(=O)OO)NCCCCNC(=O)CCC(=O)OO",
        "std_free_energy": -3.6041817665100098,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(CCC(=O)O[O-])NCCCCNC(=O)CCC(=O)OO",
        "std_free_energy": -1.6893694400787354,
        "relative_population": 0.9678298399907833
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]