[
  {
    "molid": "euroSAMPL-01",
    "smiles": "Cn1nc(C(=O)O)cc1-c1ccco1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cn1nc(C(=O)O)cc1-c1ccco1",
        "std_free_energy": -3.847047805786133,
        "relative_population": 0.9961491506657235
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1nc(C(=O)[O-])cc1-c1ccco1",
        "std_free_energy": -10.47751235961914,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.61,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]