[
  {
    "molid": "SAMPL8-15",
    "smiles": "Cc1ccccc1Nc1nc(Cl)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1Nc1nc(Cl)nc2ccccc12",
        "std_free_energy": -7.333349704742432,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1[NH2+]c1nc(Cl)nc2ccccc12",
        "std_free_energy": 5.8500823974609375,
        "relative_population": 0.10199437458198975
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccccc1Nc1nc(Cl)[nH+]c2ccccc12",
        "std_free_energy": 4.089540481567383,
        "relative_population": 0.5931572711102964
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccccc1Nc1[nH+]c(Cl)nc2ccccc12",
        "std_free_energy": 4.755185604095459,
        "relative_population": 0.30484835430771384
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.54,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "SAMPL8"
      }
    ]
  }
]