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          "smiles": "CN(C)CCn1c(nnn1)SCC2=C(C(=O)O)N3C(=O)[C@H]([C@H]3SC2)NC(=O)Cc4csc(N)n4",
          "formula": "C18H23N9O4S3",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "667626e0-2f0f-4415-b99b-2d3de4624fcf"
          },
          "defined_stereo": 2,
          "ez_centers": 0,
          "molecular_weight": "525.6321",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 2
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "88ff3085-dbaa-420a-9d02-5187dda65bd0",
      "version": "16",
      "structure": {
        "id": "907bd0f2-e7b8-435b-bf88-160e41d9dfeb",
        "molfile": "\n  Marvin  01132107292D          \n\n 35 38  0  0  1  0            999 V2000\n    1.9375   -0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1042   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9375    0.4625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    1.1042    0.4625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    6.2792   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4917   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6417   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4917   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2708   -1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7667   -1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6417    0.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3542   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5583    0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3875    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7625    0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6417   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4958   -0.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3333    0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7792   -0.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0458    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3542    0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7250   -0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5167   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0667   -0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9250   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3333   -0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8375   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9917    0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9875    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3542   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7000    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2667    1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9292    1.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6 20  1  0  0  0  0\n  7  1  1  0  0  0  0\n  8  6  2  0  0  0  0\n  9  8  1  0  0  0  0\n 10  5  1  0  0  0  0\n 11  3  1  0  0  0  0\n 12  7  2  0  0  0  0\n 13 16  1  0  0  0  0\n 14 13  2  0  0  0  0\n  4 15  1  1  0  0  0\n 16 21  1  0  0  0  0\n 17  7  1  0  0  0  0\n 18 24  1  0  0  0  0\n 19 15  1  0  0  0  0\n 20 26  1  0  0  0  0\n 21 19  1  0  0  0  0\n 22  5  1  0  0  0  0\n 23 12  1  0  0  0  0\n 24 16  2  0  0  0  0\n 25  2  2  0  0  0  0\n 26 12  1  0  0  0  0\n 27 17  2  0  0  0  0\n 28 19  2  0  0  0  0\n 29 14  1  0  0  0  0\n 30 22  1  0  0  0  0\n 31 30  1  0  0  0  0\n 32 17  1  0  0  0  0\n 33 31  1  0  0  0  0\n 34 31  1  0  0  0  0\n  3 35  1  6  0  0  0\n  4  2  1  0  0  0  0\n 11 23  1  0  0  0  0\n  9 10  2  0  0  0  0\n 18 14  1  0  0  0  0\nM  END",
        "smiles": "CN(C)CCn1c(nnn1)SCC2=C(C(=O)O)N3C(=O)[C@H]([C@@]3([H])SC2)NC(=O)Cc4csc(N)n4",
        "formula": "C18H23N9O4S3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "525.6321",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "6cb6ee13-7de7-4c3d-9c43-bc9001c72ec2",
          "d0d31290-46e2-4131-bcd5-54690c8fbc75",
          "e7970c50-5add-441c-ac66-53b3370d1f46"
        ],
        "stereo_centers": 2
      },
      "unii": "91W6Z2N718"
    }
  ]
}