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          "molfile": "\n  Marvin  01132102132D          \n\n 50 54  0  0  1  0            999 V2000\n    5.8446   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5620   -7.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2760   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9900   -7.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7039   -8.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4181   -7.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1320   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8460   -7.8743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5599   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2774   -7.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9834   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9834   -9.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2774   -9.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5599   -9.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6974   -9.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6974  -10.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4148  -10.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1253  -10.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7119  -10.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7119  -11.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9978  -12.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2838  -11.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9978  -12.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5372  -10.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1170  -10.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1170   -9.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5372   -8.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7119   -8.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1253   -9.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4148   -9.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5372   -8.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8232   -7.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2478   -7.7030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9565   -8.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9565   -8.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6718   -9.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3843   -8.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3843   -8.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6718   -7.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.0897   -9.3752    0.0000 S   0  0  0  0  0  0  0  0  0  2  0  0\n   20.0897  -10.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   21.0763   -8.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.5088   -9.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.7758  -10.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.6065  -10.1613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   22.8465   -9.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.1628   -8.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   22.1628   -8.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.8783   -7.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.5868   -8.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 14  9  2  0  0  0  0\n 11 10  2  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  2  0  0  0  0\n 15 12  1  0  0  0  0\n 13 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 30 15  2  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 18 29  2  0  0  0  0\n 20 19  1  0  0  0  0\n 19 24  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 23  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 28 27  2  0  0  0  0\n 27 31  1  0  0  0  0\n 29 28  1  0  0  0  0\n 29 30  1  0  0  0  0\n 31 32  2  0  0  0  0\n 31 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 34 39  2  0  0  0  0\n 35 36  2  0  0  0  0\n 36 37  1  0  0  0  0\n 38 37  2  0  0  0  0\n 37 40  1  0  0  0  0\n 39 38  1  0  0  0  0\n 40 41  2  0  0  0  0\n 40 42  1  0  0  0  0\n 42 43  1  0  0  0  0\n 43 44  2  0  0  0  0\n 43 47  1  0  0  0  0\n 44 45  1  0  0  0  0\n 46 45  2  0  0  0  0\n 47 46  1  0  0  0  0\n 47 48  1  0  0  0  0\n 48 49  1  0  0  0  0\n 49 50  1  0  0  0  0\nM  END",
          "smiles": "CCCCOCCOc1ccc(cc1)-c2ccc3c(c2)/C=C(\\CCCN3CC(C)C)/C(=O)Nc4ccc(cc4)S(=O)Cc5cncn5CCC",
          "formula": "C41H52N4O4S",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "800fe7aa-f8da-42ea-8142-1e0846fb1401"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "696.9436",
          "optical_activity": "NONE",
          "stereo_centers": 1
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "96403f98-d0c3-4128-a558-896f1bf508d1",
      "version": "21",
      "structure": {
        "id": "ac5b4179-30b7-4d07-8fa5-f3071908d8ef",
        "molfile": "\n  Marvin  01132108562D          \n\n 50 54  0  0  1  0            999 V2000\n   15.7119  -11.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9978  -12.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2838  -11.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9978  -12.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7119  -10.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1253  -10.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1253   -9.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7119   -8.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5372   -8.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1170   -9.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1170  -10.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5372  -10.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5372   -8.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8232   -7.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2478   -7.7030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9565   -8.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9565   -8.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6718   -9.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3843   -8.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3843   -8.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6718   -7.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.0897   -9.3752    0.0000 S   0  3  1  0  0  0  0  0  0  0  0  0\n   20.0897  -10.7904    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   21.0763   -8.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.5088   -9.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.1628   -8.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   22.8465   -9.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.6065  -10.1613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   21.7758  -10.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.1628   -8.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.8783   -7.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.5868   -8.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4148   -9.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6974   -9.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6974  -10.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4148  -10.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9834   -9.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9834   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2774   -7.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5599   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5599   -9.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2774   -9.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8460   -7.8743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1320   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4181   -7.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7039   -8.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9900   -7.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2760   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5620   -7.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8446   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n  5 12  1  0  0  0  0\n  9 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 13 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  2  0  0  0  0\n 16 21  1  0  0  0  0\n 19 22  1  0  0  0  0\n 22 23  1  6  0  0  0\n 22 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  2  0  0  0  0\n 29 28  1  0  0  0  0\n 25 29  2  0  0  0  0\n 26 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n  7 33  2  0  0  0  0\n 33 34  1  0  0  0  0\n 35 34  2  0  0  0  0\n 36 35  1  0  0  0  0\n  6 36  2  0  0  0  0\n 34 37  1  0  0  0  0\n 37 38  2  0  0  0  0\n 38 39  1  0  0  0  0\n 39 40  2  0  0  0  0\n 41 40  1  0  0  0  0\n 42 41  2  0  0  0  0\n 37 42  1  0  0  0  0\n 40 43  1  0  0  0  0\n 43 44  1  0  0  0  0\n 44 45  1  0  0  0  0\n 45 46  1  0  0  0  0\n 46 47  1  0  0  0  0\n 47 48  1  0  0  0  0\n 48 49  1  0  0  0  0\n 49 50  1  0  0  0  0\nM  CHG  2  22   1  23  -1\nM  END",
        "smiles": "CCCCOCCOc1ccc(cc1)-c2ccc3c(c2)/C=C(\\CCCN3CC(C)C)/C(=O)Nc4ccc(cc4)[S@+](Cc5cncn5CCC)[O-]",
        "formula": "C41H52N4O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 1,
        "molecular_weight": "696.9436",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "254797cf-da22-43af-8ae5-8e8b4dfa3925",
          "776170ca-46be-4ddf-890e-8b95cc7d925a",
          "535921d7-2d9f-41de-8b4b-3b7cfe745429"
        ],
        "stereo_centers": 1
      },
      "unii": "15C116UA4Y"
    }
  ]
}