[
  {
    "molid": "mol7925",
    "smiles": "FC(F)(F)c1cccc2ncncc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "FC(F)(F)c1cccc2ncncc12",
        "std_free_energy": -7.342072486877441,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "FC(F)(F)c1cccc2nc[nH+]cc12",
        "std_free_energy": 3.5739054679870605,
        "relative_population": 0.4239973538792777
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "FC(F)(F)c1cccc2[nH+]cncc12",
        "std_free_energy": 3.2675204277038574,
        "relative_population": 0.5760026461207224
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.20000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]