[
  {
    "molid": "euroSAMPL-23",
    "smiles": "CCc1ncc(C(=O)O)c(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1ncc(C(=O)O)c(C)n1",
        "std_free_energy": -4.894199848175049,
        "relative_population": 0.7362913409468946
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCc1ncc(C(=O)[O-])c(C)[nH+]1",
        "std_free_energy": -3.348276376724243,
        "relative_population": 0.15691471051824082
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CCc1nc(C)c(C(=O)[O-])c[nH+]1",
        "std_free_energy": -2.963475227355957,
        "relative_population": 0.10679394853486458
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1ncc(C(=O)[O-])c(C)n1",
        "std_free_energy": -11.527754783630371,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]