[
  {
    "molid": "SM09",
    "smiles": "COc1cccc(Nc2ncnc3ccccc23)c1.Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(Nc2ncnc3ccccc23)c1.Cl",
        "std_free_energy": -6.272792339324951,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc([NH2+]c2ncnc3ccccc23)c1.Cl",
        "std_free_energy": -0.43892747163772583,
        "relative_population": 0.219492847944992
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cccc(Nc2[nH+]cnc3ccccc23)c1.Cl",
        "std_free_energy": -0.6184581518173218,
        "relative_population": 0.26265734940962365
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1cccc(Nc2nc[nH+]c3ccccc23)c1.Cl",
        "std_free_energy": -1.2972930669784546,
        "relative_population": 0.5178498026453844
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.37,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "SAMPL6"
      }
    ]
  }
]