[
  {
    "molid": "mol38501",
    "smiles": "NCC(=O)N1CCCC1C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]",
        "std_free_energy": -11.351177215576172,
        "relative_population": 0.9999100314273558
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "[NH3+]CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)O",
        "std_free_energy": -3.3865363597869873,
        "relative_population": 0.9890049170060675
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.36999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]