[
  {
    "molid": "mol11734",
    "smiles": "Cc1ncc(CO)c(C=N[C@H](C(=O)O)[C@@H](C)O)c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ncc(CO)c(C=N[C@H](C(=O)[O-])[C@@H](C)O)c1O",
        "std_free_energy": -8.728456497192383,
        "relative_population": 0.9707413920176098
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ncc(CO)c(C=N[C@H](C(=O)[O-])[C@@H](C)O)c1[O-]",
        "std_free_energy": 0.32858413457870483,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.89,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]