0 B29R4.8253908594 C=C(CO)[C@]1(CCC2[C@@]1(CC(C3C2CCC4=CC(=O)CC[C@@]43C)O)C)O MCULE-4849477341 [0,0,0,0,0,0|1,0,2]=3 1 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(O)C(=O)CO)C MCULE-9427838644 [0,0,0,0,0,0|0,0,2]=2 2 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3C2C(=O)CC4(C3CC[C@]4(O)C(=O)CO)C MCULE-3405658621 [0,0,0,0,0,0|0,0,2]=2 3 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3C2C(CC4(C3CCC4(O)C(=O)CO)C)O MCULE-2602572740 [0,0,0,0,0,0|0,0,4]=4 4 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3C2C(CC4(C3CC[C@]4(O)C(=O)CO)C)O MCULE-8987505438 [0,0,0,0,0,0|0,0,4]=4 5 B29R4.8253908594 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(O)C(=O)CO)C MCULE-4398945581 [0,0,0,0,0,0|0,0,0]=0 6 B29R4.8253908594 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CC[C@]4(O)C(=O)CO)C MCULE-6272921805 [0,0,0,0,0,0|0,0,0]=0 7 B29R4.8253908594 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(O)C(=O)CO)C)O MCULE-8646276663 [0,0,0,0,0,0|0,0,2]=2 8 B29R4.8253908594 CC12CCC(=O)C=C1CCC3C2[C@@H](CC4(C3CC[C@]4(O)C(=O)CO)C)O MCULE-4822409054 [0,0,0,0,0,0|0,0,2]=2 9 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MCULE-8869963478 [1,0,0,0,0,0|0,0,2]=3 32 B28R4.1136611681 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C MCULE-4423927480 [1,0,0,0,0,0|0,0,0]=1 33 B28R4.1136611681 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C MCULE-5522675744 [1,0,0,0,0,0|0,0,0]=1 34 B28R4.1136611681 C[C@]12C[C@@H]([C@@H]3[C@H]([C@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C)O MCULE-8637459260 [1,0,0,0,0,0|0,0,2]=3 35 B28R4.1136611681 [C@@H]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@@]43C)O)C)C(=O)CO MCULE-6520929159 [1,0,0,0,0,0|0,0,2]=3 36 B28R4.1136611681 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@@H]4C(=O)CO)C)O)C MCULE-1874567277 [1,0,0,0,0,0|0,0,2]=3 37 B28R4.1146461172 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(O)C(=O)CO)C MCULE-9765892541 [1,0,0,0,0,0|0,0,1]=2 38 B28R4.1146461172 CC12CCC(=O)C=C1CCC3C2CCC4(C3CC[C@]4(O)C(=O)CO)C MCULE-1459297460 [1,0,0,0,0,0|0,0,1]=2 39 B28R4.1146461172 CC12CCC(=O)C=C1CCC3C2CCC4(C3CC[C@]4(O)C(=O)CO)C MCULE-2400907851 [1,0,0,0,0,0|0,0,1]=2 40 B28R4.1146461172 C[C@]12CCC(=O)C=C1CCC3C2=CC[C@]4(C3CC[C@]4(O)C(=O)CO)C MCULE-3894325538 [1,0,0,0,0,0|0,0,1]=2 41 B28R4.1146461172 C[C@]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@]4([C@H]3CC[C@]4(O)C(=O)CO)C MCULE-7354159184 [1,0,0,0,0,0|0,0,1]=2 42 B28R4.1146461172 C[C@]12CCC3C(C1CC[C@]2(O)C(=O)CBr)CCC4=CC(=O)CC[C@]34C MCULE-4227913812 [1,0,0,0,0,0|1,0,1]=3 43 B28R4.1146461172 [C@@H]12CCC3=CC(=O)CC[C@@]3(C1=CC[C@]4(C2CC[C@]4(O)C(=O)CO)C)C MCULE-6566332427 [1,0,0,0,0,0|0,0,1]=2 44 B28R4.1146461172 [C@@H]12CCC3=CC(=O)CC[C@@]3(C1=CC[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)C MCULE-3987885076 [1,0,0,0,0,0|0,0,1]=2 45 B28R4.1146461172 [C@@H]12CC[C@]([C@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(O)C(=O)CN MCULE-5984391293 [1,0,0,0,0,0|1,0,1]=3 46 B28R4.1146461172 [C@@H]12CC[C@]([C@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(O)C(=O)CN MCULE-7859813171 [1,0,0,0,0,0|1,0,1]=3 47 B28R4.1146461172 [C@@H]12CC[C@]([C@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(O)C(=O)CO MCULE-1153477483 [1,0,0,0,0,0|0,0,1]=2 48 B28R4.1146461172 [C@@H]12CC[C@]([C@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(O)C(=O)CO MCULE-8877595522 [1,0,0,0,0,0|0,0,1]=2 49 B30R4.1309181273 CC12CCC(=O)C=C1CC(C3C2C(CC4(C3CCC4(O)C(=O)CO)C)O)O MCULE-6631479177 [0,1,0,0,0,0|0,0,2]=3 50 B30R4.1309181273 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C)(O)C(=O)CO MCULE-4260070403 [0,1,0,0,0,0|0,0,2]=3 51 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(O)C(=O)CO)C)C MCULE-7821492457 [0,1,0,0,0,0|0,0,2]=3 52 B30R4.1310497884 C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C3[C@H](CC2([C@@]1(O)C(=O)CO)C)O)C MCULE-5186769141 [0,1,0,0,0,0|0,0,2]=3 53 B30R4.1310497884 C[C@@H]1CC2C3CCC4=CC(=O)CC[C@@]4(C3[C@H](C[C@@]2([C@@]1(O)C(=O)CO)C)O)C MCULE-9617873941 [0,1,0,0,0,0|0,0,2]=3 54 B30R4.1310497884 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@@]1(O)C(=O)CO)C)C MCULE-4729751323 [0,1,0,0,0,0|0,0,2]=3 55 B30R4.1310497884 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1C(=O)C[C@]4([C@H]2C[C@@H]([C@]4(O)C(=O)CO)C)C)C MCULE-7939545317 [0,1,0,0,0,0|0,0,2]=3 56 B30R4.1310497884 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2C[C@H]([C@]4(O)C(=O)CO)C)C)O)C MCULE-2791131855 [0,1,0,0,0,0|0,0,2]=3 57 B30R4.2468419591 CC12CCC(=O)C=C1C(CC3C2C(CC4(C3CCC4(O)C(=O)CO)C)O)O MCULE-7976605396 [0,1,0,0,0,0|0,0,2]=3 58 B30R4.2468419591 CC12CCC(=O)C=C1C(CC3C2C(CC4(C3CC[C@]4(O)C(=O)CO)C)O)O MCULE-1886322512 [0,1,0,0,0,0|0,0,2]=3 59 B30R4.2468419591 [C@@H]12C[C@H](C3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C)O MCULE-3840110043 [0,1,0,0,0,0|0,0,2]=3 60 B30R4.2468419850 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C=O)O)C MCULE-6797143081 [0,1,0,0,0,0|0,0,3]=4 61 B30R4.2468447894 CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(O)C(=O)CO)C)O)F MCULE-8028716685 [0,1,0,0,0,0|0,0,2]=3 62 B30R4.2468447894 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@]34C)F)O)C)(O)C(=O)CO MCULE-2792407675 [0,1,0,0,0,0|0,0,2]=3 63 B30R4.2468447894 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@]34C)F)O)C)(O)C(=O)CO MCULE-3962878954 [0,1,0,0,0,0|0,0,2]=3 64 B30R5.1401553300 CC12CCC(=O)C=C1CCC3C24C(O4)CC5(C3CCC5(O)C(=O)CO)C MCULE-1625834654 [0,0,0,1,0,0|0,0,2]=3 65 B30R5.1401553300 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]24[C@@H](O4)C[C@]5([C@H]3CC[C@]5(O)C(=O)CO)C MCULE-6469211768 [0,0,0,1,0,0|0,0,2]=3 66 B30R5.1401553300 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@@]14O[C@H]4C[C@]5(C2CC[C@]5(O)C(=O)CO)C)C MCULE-7500403231 [0,0,0,1,0,0|0,0,2]=3 67 B27R4.804624872 C12CCC(C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)C(=O)C MCULE-7455827757 [2,0,0,0,0,0|0,0,0]=2 68 B27R4.804624872 C12CCC3C4CCC(C4(CC(=O)C3C1(CCC(=O)C2)C)C)C(=O)C MCULE-5056635356 [2,0,0,0,0,0|0,0,2]=4 69 B27R4.804624872 CC(=O)C1=CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@@]43C)C MCULE-4361064277 [2,0,0,0,0,0|0,0,2]=4 70 B27R4.804624872 CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC43C)O)C MCULE-1293033837 [2,0,0,0,0,0|0,0,2]=4 71 B27R4.804624872 CC(=O)C1CCC2[C@@]1(CC(=O)C3C2CCC4=CC(=O)CC[C@@]43C)C MCULE-5826883403 [2,0,0,0,0,0|0,0,0]=2 72 B27R4.804624872 CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@@]43C)O)C MCULE-1087351535 [2,0,0,0,0,0|0,0,2]=4 73 B27R4.804624872 CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@@]43C)O)C MCULE-9465922690 [2,0,0,0,0,0|0,0,2]=4 74 B27R4.804624872 [C@@H]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)C(=O)O MCULE-5887629699 [2,0,0,0,0,0|0,0,2]=4 75 B27R4.804624872 [C@@H]12CCC3=CC(=O)CC[C@@]3(C1C(=O)C[C@]4(C2CC[C@@H]4C(=O)C)C)C MCULE-6238783971 [2,0,0,0,0,0|0,0,0]=2 76 B27R4.804624872 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1C(=O)C[C@]4([C@H]2CC[C@@H]4C(=O)C)C)C MCULE-5461214891 [2,0,0,0,0,0|0,0,0]=2 77 B27R4.804624872 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@@H](C[C@]4([C@H]2CC[C@@H]4C(=O)C)C)O)C MCULE-7613812164 [2,0,0,0,0,0|0,0,2]=4 78 B27R4.804624872 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@@H]4C(=O)C)C)O)C MCULE-2497278031 [2,0,0,0,0,0|0,0,2]=4 79 B27R4.804624872 [C@@H]12CC[C@@H]3CC(=O)CC[C@@]3([C@H]1C(=O)C[C@]4([C@H]2CC[C@@H]4C(=O)C)C)C MCULE-9066211763 [2,0,0,0,0,0|0,0,2]=4 80 B27R4.804624872 [C@@H]12CC[C@@H]3[C@@H]([C@]1(CCC(=O)C2)C)C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)C)C MCULE-2114412222 [2,0,0,0,0,0|0,0,2]=4 81 B27R4.804624872 [C@H]12CCC3C4CCC([C@]4(CC(=O)C3[C@]1(CCC(=O)C2)C)C)C(=O)C MCULE-8269270505 [2,0,0,0,0,0|0,0,2]=4 82 B27R4.804627397 CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC43C)C)O MCULE-3135517908 [2,0,0,0,0,0|0,0,1]=3 83 B27R4.804627397 CC(=O)[C@]1(CCC2C1(CCC3C2CCC4=CC(=O)CCC43C)C)O MCULE-4559042415 [2,0,0,0,0,0|0,0,1]=3 84 B27R4.804627397 CC(=O)[C@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@@]43C)C)O MCULE-7538642508 [2,0,0,0,0,0|0,0,1]=3 85 B27R4.804627397 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)O MCULE-2147959975 [2,0,0,0,0,0|0,0,1]=3 86 B27R4.804627397 [C@@H]12CC[C@]([C@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(O)C(=O)C MCULE-1412596642 [2,0,0,0,0,0|0,0,1]=3 87 B27R4.1097265129 C[C@]12CC(=O)C3C(C1CC[C@]2(O)C#N)CCC4=CC(=O)CC[C@]34C MCULE-9033140847 [2,0,0,0,0,0|1,0,1]=4 88 B27R4.914463973 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4C(=O)CO)C MCULE-5054990207 [2,0,0,0,0,0|0,0,1]=3 89 B27R4.914463973 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1CC[C@]4([C@H]2CC[C@@H]4C(=O)CO)C)C MCULE-4728366427 [2,0,0,0,0,0|0,0,1]=3 90 B27R4.914463973 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1CC[C@]4([C@H]2CC[C@@H]4C(=O)CO)C)C MCULE-4839802180 [2,0,0,0,0,0|0,0,1]=3 91 B27R4.914463973 [C@H]12CCC3([C@H](CC[C@H]3[C@@H]1CCC4=CC(=O)CCC24C)C(=O)CO)C MCULE-3925639883 [2,0,0,0,0,0|0,0,1]=3 92 B29R4.4331633327 CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O MCULE-2752163479 [1,1,0,0,0,0|0,0,2]=4 93 B29R4.4331633327 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@]34C)F)O)C)(O)C(=O)C MCULE-8836931403 [1,1,0,0,0,0|0,0,2]=4 94 B29R4.10155379065 CC(=O)[C@]1(CCC2C1(CC(=O)C3C2CC[C@@]4(C3(CCC(=O)C4)C)C)C)O MCULE-3860345057 [1,1,0,0,0,0|0,0,2]=4 95 B29R4.4331628209 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@@H]4C(=O)C(O)O)C)O)C MCULE-3516804753 [1,1,0,0,0,0|0,0,2]=4 96 B29R4.8204278387 C12CCC(C1(CC(C3C2CCC4=CC(=O)CCC34C)O)CO)C(=O)CO MCULE-4856088282 [1,1,0,0,0,0|0,0,2]=4 97 B29R4.8204278387 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O MCULE-7713170080 [1,1,0,0,0,0|0,0,2]=4 98 B29R4.8204278387 [C@@H]12CC[C@@H]([C@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)CO)C(=O)CO MCULE-1067345384 [1,1,0,0,0,0|0,0,2]=4 99 B29R4.10543153122 C[C@]12CC[C@H]3[C@H]([C@@]1(CC[C@]2(O)C(=O)CO)O)CCC4=CC(=O)CC[C@]34C MCULE-4342339665 [1,1,0,0,0,0|0,0,1]=3 100 B31R4.3868533394 CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(=O)CC2(C1(O)C(=O)CO)C)F)C MCULE-2658454672 [0,2,0,0,0,0|0,0,2]=4 101 B31R4.3868533394 [C@@H]12C[C@@H]([C@]([C@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@]34C)F)C)(O)C(=O)CO)C MCULE-2460870632 [0,2,0,0,0,0|0,0,2]=4 102 B29R5.6194092322 [C@@H]12C[C@H]3O[C@]3([C@]1(C[C@H]([C@H]4[C@H]2CCC5=CC(=O)CC[C@]45C)O)C)C(=O)C MCULE-4969764202 [1,0,0,1,0,0|0,0,2]=4 103 B29R5.2193887434 C[C@]12CCC3C(C1CC4[C@@]2(C(=O)CO4)O)CCC5=CC(=O)CC[C@]35C MCULE-7657515197 [1,0,0,1,0,0|0,0,1]=3 104 B29R5.2490015880 [C@@H]12C[C@H]3O[C@]3([C@]1(CC[C@H]4[C@H]2CCC5=CC(=O)CC[C@]45C)C)C(=O)CO MCULE-5246840558 [1,0,0,1,0,0|0,0,1]=3