[
  {
    "molid": "mol32952",
    "smiles": "OC[C@H]1O[C@H](n2cnc3c2N=CNC[C@H]3O)C[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@H]1O[C@H](n2cnc3c2N=CNC[C@H]3O)C[C@H]1O",
        "std_free_energy": -6.6422576904296875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OC[C@H]1O[C@H](n2c[nH+]c3c2N=CNC[C@H]3O)C[C@H]1O",
        "std_free_energy": -2.738717794418335,
        "relative_population": 0.5868728256244746
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "OC[C@H]1O[C@H](n2cnc3c2[NH+]=CNC[C@H]3O)C[C@H]1O",
        "std_free_energy": -1.956019639968872,
        "relative_population": 0.2683011357346562
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "OC[C@H]1O[C@H](n2cnc3c2N=CNC[C@H]3[OH2+])C[C@H]1O",
        "std_free_energy": -0.7444153428077698,
        "relative_population": 0.07987841717680821
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "O[C@@H]1CNC=Nc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](C[OH2+])O1",
        "std_free_energy": -0.4878944158554077,
        "relative_population": 0.06180503084359084
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]