[
  {
    "molid": "mol8600",
    "smiles": "Cc1ncc(C=O)c(CO)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH+]cc(C=O)c(CO)c1[O-]",
        "std_free_energy": -3.5412731170654297,
        "relative_population": 0.12005796474841034
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ncc(C=O)c(CO)c1O",
        "std_free_energy": -5.533154487609863,
        "relative_population": 0.8799420352515896
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]cc(C=O)c(CO)c1O",
        "std_free_energy": 0.013428255915641785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]