[
  {
    "molid": "mol20468",
    "smiles": "NC(=O)c1c(COC2=C(O)C(=O)OC2C(O)CO)no[n+]1[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)c1c(COC2=C(O)C(=O)O[C@H]2[C@@H](O)CO)no[n+]1[O-]",
        "std_free_energy": -4.492231369018555,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)c1c([CH-]OC2=C(O)C(=O)O[C@H]2[C@@H](O)CO)no[n+]1[O-]",
        "std_free_energy": -4.343196392059326,
        "relative_population": 0.638589110355577
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "NC(=O)c1c(COC2=C([O-])C(=O)O[C@H]2[C@@H](O)CO)no[n+]1[O-]",
        "std_free_energy": -3.7185611724853516,
        "relative_population": 0.3419368285604884
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]