[
  {
    "molid": "mol29526",
    "smiles": "C[n+]1cnc2nc(O)[nH]c2c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1cnc2nc(O)[n-]c2c1O",
        "std_free_energy": -3.1981287002563477,
        "relative_population": 0.13328180863072248
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[n+]1cnc2nc(O)[nH]c2c1[O-]",
        "std_free_energy": -4.931109428405762,
        "relative_population": 0.7540407990080837
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "C[n+]1cnc2nc([O-])[nH]c2c1O",
        "std_free_energy": -3.029637575149536,
        "relative_population": 0.11261496639848047
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1c[nH+]c2nc(O)[nH]c2c1[O-]",
        "std_free_energy": 8.75992202758789,
        "relative_population": 0.06552288776557184
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1cnc2nc(O)[nH]c2c1O",
        "std_free_energy": 6.110641956329346,
        "relative_population": 0.9267460542473663
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]