[
  {
    "molid": "mol37268",
    "smiles": "C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O",
    "microspecies": [
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]",
        "std_free_energy": -12.241747856140137,
        "relative_population": 0.9994149999657346
      },
      {
        "id": "2_10",
        "charge": 2,
        "smiles": "C[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O",
        "std_free_energy": -4.329720973968506,
        "relative_population": 0.9992386774728493
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]