[
  {
    "molid": "mol25812",
    "smiles": "CNc1ncc(C(=O)O)nc1N(C)C=O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CNc1ncc(C(=O)O)nc1N(C)C=O",
        "std_free_energy": -4.694277763366699,
        "relative_population": 0.9386293938075997
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNc1ncc(C(=O)[O-])nc1N(C)C=O",
        "std_free_energy": -10.99024486541748,
        "relative_population": 0.9999774598541327
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]