[
  {
    "molid": "mol32577",
    "smiles": "OC1COC(n2cnc3cncnc32)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@H]1[C@H](O)[C@@H](O)CO[C@H]1n1cnc2cncnc21",
        "std_free_energy": -8.00794792175293,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O[C@H]1[C@H]([OH2+])[C@H](n2cnc3cncnc32)OC[C@@H]1O",
        "std_free_energy": 3.0053629875183105,
        "relative_population": 0.44503547295540147
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[C@H]1[C@H](O)[C@@H](O)CO[C@H]1n1c[nH+]c2cncnc21",
        "std_free_energy": 4.2507524490356445,
        "relative_population": 0.1280940208255437
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "O[C@H]1[C@H](O)[C@@H](O)CO[C@H]1n1cnc2c[nH+]cnc21",
        "std_free_energy": 3.423386573791504,
        "relative_population": 0.29298763513511344
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "O[C@H]1[C@H](O)[C@@H](O)CO[C@H]1n1cnc2cnc[nH+]c21",
        "std_free_energy": 4.26047945022583,
        "relative_population": 0.12685409031158426
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]