[
  {
    "molid": "mol2692",
    "smiles": "COCCOCc1nc(C(F)(F)F)ccc1C(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCCOCc1nc(C(F)(F)F)ccc1C(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O",
        "std_free_energy": -5.269254684448242,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COCCOCc1nc(C(F)(F)F)ccc1C(=O)[C-]1C(=O)C(C)(C)C(=O)C(C)(C)C1=O",
        "std_free_energy": -6.108623504638672,
        "relative_population": 0.963433649151672
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.03,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]