[
  {
    "molid": "mol2290",
    "smiles": "CCc1nc2c(C)cc(C)nc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1nc2c(C)cc(C)nc2[nH]1",
        "std_free_energy": -6.677025318145752,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1[nH]c2nc(C)cc(C)c2[nH+]1",
        "std_free_energy": -4.222169876098633,
        "relative_population": 0.4216734492401843
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1nc2c(C)cc(C)[nH+]c2[nH]1",
        "std_free_energy": -4.538077354431152,
        "relative_population": 0.5783265507598158
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]