[
  {
    "molid": "mol38150",
    "smiles": "CC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(=O)[C@@H](O)CCN)C[C@@H]2NC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(=O)[C@@H](O)CCN)C[C@@H]2NC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -2.799611806869507,
        "relative_population": 1.0
      },
      {
        "id": "1_7",
        "charge": 1,
        "smiles": "CC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(=O)[C@@H](O)CC[NH3+])C[C@@H]2NC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -7.95770263671875,
        "relative_population": 0.9181700142123477
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]