[
  {
    "molid": "mol10194",
    "smiles": "O=c1[nH]c(=O)c2ncn(CCO)c2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c(=O)c2ncn(CCO)c2[nH]1",
        "std_free_energy": -6.09559440612793,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c2c(ncn2CCO)c(=O)[nH]1",
        "std_free_energy": -6.928692817687988,
        "relative_population": 0.8552469988828019
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c2ncn(CCO)c2[nH]1",
        "std_free_energy": -5.152331352233887,
        "relative_population": 0.14475300111719822
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.93,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]