[
  {
    "molid": "mol23890",
    "smiles": "CCC(=O)Nc1ccc(C(=O)CC)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(=O)Nc1ccc(C(=O)CC)cc1",
        "std_free_energy": -7.174403190612793,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC(=O)c1ccc(NC(=[OH+])CC)cc1",
        "std_free_energy": 7.3709797859191895,
        "relative_population": 0.9313008393258374
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCC(=O)Nc1ccc(C(=[OH+])CC)cc1",
        "std_free_energy": 9.977825164794922,
        "relative_population": 0.0686991606741626
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]