[
  {
    "molid": "mol15279",
    "smiles": "Cn1cnc2c1C(=O)c1ncnc(O)c1C2=O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cn1cnc2c1C(=O)c1ncnc(O)c1C2=O",
        "std_free_energy": -5.0028581619262695,
        "relative_population": 0.9999861721293181
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1cnc2c1C(=O)c1ncnc([O-])c1C2=O",
        "std_free_energy": -6.103516578674316,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.0900002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]