[
  {
    "molid": "mol7062",
    "smiles": "Nc1cc(F)nc(O)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1cc(F)nc(O)n1",
        "std_free_energy": -7.255524635314941,
        "relative_population": 0.9999940552445779
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc(F)nc(O)[nH+]1",
        "std_free_energy": 3.754075527191162,
        "relative_population": 0.29837807615236006
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1cc(F)nc(O)n1",
        "std_free_energy": 4.545272350311279,
        "relative_population": 0.13525536323469936
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cc(F)[nH+]c(O)n1",
        "std_free_energy": 3.1131954193115234,
        "relative_population": 0.5663665606129406
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cc(F)nc([O-])n1",
        "std_free_energy": -0.5627495050430298,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]