[
  {
    "molid": "euroSAMPL-28",
    "smiles": "Cn1ccnc1-c1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1ccnc1-c1cccnc1",
        "std_free_energy": -5.846631050109863,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cc[nH+]c1-c1cccnc1",
        "std_free_energy": -4.824462890625,
        "relative_population": 0.7846096928141322
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1ccnc1-c1ccc[nH+]c1",
        "std_free_energy": -3.5317282676696777,
        "relative_population": 0.21539030718586788
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.95,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]