[
  {
    "molid": "mol11377",
    "smiles": "CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C[C@H](O)C2=CC(=NNC(N)=O)C(=O)C=C21",
        "std_free_energy": -6.858791351318359,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C[C@H](O)C2=CC(=N[N-]C(N)=O)C(=O)C=C21",
        "std_free_energy": 2.161457061767578,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.8000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]