[
  {
    "molid": "mol2741",
    "smiles": "CC#Cc1cc(C)c(C2C(=O)CC(CC3CCOCC3)C2=O)c(C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC#Cc1cc(C)c([C@H]2C(=O)C[C@H](CC3CCOCC3)C2=O)c(C)c1",
        "std_free_energy": -4.529007911682129,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC#Cc1cc(C)c([C@H]2C(=O)[CH-][C@H](CC3CCOCC3)C2=O)c(C)c1",
        "std_free_energy": -0.8906124830245972,
        "relative_population": 0.11476947247590721
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC#Cc1cc(C)c([C-]2C(=O)C[C@H](CC3CCOCC3)C2=O)c(C)c1",
        "std_free_energy": -2.899937629699707,
        "relative_population": 0.8559831368433874
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]