[
  {
    "molid": "mol8298",
    "smiles": "CCOc1ncc2ncn(C)c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ncc2ncn(C)c2n1",
        "std_free_energy": -7.664578914642334,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1ncc2ncn(C)c2[nH+]1",
        "std_free_energy": 3.3641016483306885,
        "relative_population": 0.3189984544671547
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1ncc2[nH+]cn(C)c2n1",
        "std_free_energy": 3.4336321353912354,
        "relative_population": 0.2975718685538314
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCOc1nc2c(c[nH+]1)ncn2C",
        "std_free_energy": 3.180131673812866,
        "relative_population": 0.3834296769790141
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.53,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]