[
  {
    "molid": "mol33998",
    "smiles": "O=NN(CC(=O)O)CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=NN(CC(=O)O)CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -3.1790175437927246,
        "relative_population": 0.20024043361482577
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=N[NH+](CC(=O)[O-])CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -4.563809871673584,
        "relative_population": 0.7997595663851742
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=NN(CC(=O)[O-])CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -10.032891273498535,
        "relative_population": 0.9962847380064642
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]