[
  {
    "molid": "mol15065",
    "smiles": "Oc1ccc(/N=N/c2nc3ccccc3s2)c2cccnc12",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "[O-]c1ccc(/N=N/c2nc3ccccc3s2)c2ccc[nH+]c12",
        "std_free_energy": -2.769512176513672,
        "relative_population": 0.07035245588732653
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "Oc1ccc(/N=N/c2nc3ccccc3s2)c2cccnc12",
        "std_free_energy": -5.350762367248535,
        "relative_population": 0.9296125470308247
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(/N=N/c2nc3ccccc3s2)c2cccnc12",
        "std_free_energy": -3.743708372116089,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]