[
  {
    "molid": "mol25322",
    "smiles": "Cn1nc(N)c(CO)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nc(N)c(CO)n1",
        "std_free_energy": -7.067285537719727,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1nc(N)c(CO)[nH+]1",
        "std_free_energy": 1.9151846170425415,
        "relative_population": 0.32234133705595874
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1nc([NH3+])c(CO)n1",
        "std_free_energy": 2.3767871856689453,
        "relative_population": 0.20316297072767736
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1nc(CO)c(N)[nH+]1",
        "std_free_energy": 1.5285431146621704,
        "relative_population": 0.47449569221636384
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.56,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]