[
  {
    "molid": "mol7975",
    "smiles": "Cn1cnc2cnc(Cl)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnc2cnc(Cl)cc21",
        "std_free_energy": -7.10079288482666,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cnc2c[nH+]c(Cl)cc21",
        "std_free_energy": 1.2601107358932495,
        "relative_population": 0.3447928487162118
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c[nH+]c2cnc(Cl)cc21",
        "std_free_energy": 0.6181030869483948,
        "relative_population": 0.6552071512837883
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cn1c[nH+]c2c[nH+]c(Cl)cc21",
        "std_free_energy": 12.268035888671875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.46,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -1.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]