[
  {
    "molid": "mol8556",
    "smiles": "CC(=O)N[C@@H](CCCCN)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]",
        "std_free_energy": -12.239913940429688,
        "relative_population": 0.9999967971112249
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)N[C@@H](CCCCN)C(=O)[O-]",
        "std_free_energy": -3.508795976638794,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.53,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]