[
  {
    "molid": "mol34151",
    "smiles": "CN(CC(=O)NCC(=O)NCC(=O)O)C(=O)CN",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(CC(=O)NCC(=O)NCC(=O)[O-])C(=O)C[NH3+]",
        "std_free_energy": -11.057527542114258,
        "relative_population": 0.9998913410406215
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CN(CC(=O)NCC(=O)NCC(=O)O)C(=O)C[NH3+]",
        "std_free_energy": -2.4416775703430176,
        "relative_population": 0.9846385513727666
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.34999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]