0 B33R4.2673787775 CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC43C)C)O)C)O MCULE-6383206380 [0,0,0,0,0,0|1,0,0]=1 1 B33R4.2673787775 CC(=O)OCC(=O)[C@]1(CCC2[C@@]1(CC(C3C2C[C@@H](C4=CC(=O)CC[C@@]43C)C)O)C)O MCULE-3712244049 [0,0,0,0,0,0|1,0,2]=3 2 B33R4.2673787775 [C@@H]12C[C@@H](C3=CC(=O)C=C[C@@]3(C1C(C[C@]4(C2CC[C@]4(O)C(=O)COC(=O)C)C)O)C)C MCULE-6163429552 [0,0,0,0,0,0|1,0,0]=1 3 B33R4.2673787775 [C@@H]12C[C@@H](C3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)COC(=O)C)C)O)C)C MCULE-1714768829 [0,0,0,0,0,0|1,0,0]=1 4 B33R4.2673787775 [C@@H]12C[C@@H](C3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)COC(=O)C)C)O)C)C MCULE-5825350607 [0,0,0,0,0,0|1,0,0]=1 5 B33R4.2673787775 [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)COC(=O)C)C)O)C)C MCULE-8269410469 [0,0,0,0,0,0|1,0,2]=3 6 B33R4.2673787775 [C@H]12C(C[C@H](C3=CC(=O)C=C[C@@]31C)C)C4CC[C@]([C@]4(C[C@@H]2O)C)(O)C(=O)COC(=O)C MCULE-9556460941 [0,0,0,0,0,0|1,0,0]=1 7 B32R4.2009168281 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[1,1,0,0,0,0|2,0,0]=4 38 B33R4.2673743778 C[C@]12CC(C3C(C1CC[C@]2(O)C(=O)COP(=O)([O-])[O-])CCC4=CC(=O)C=C[C@]34C)O MCULE-6103427981 [1,1,0,0,0,0|2,0,0]=4 39 B33R4.2673743778 C[C@]12CC(C3C(C1CC[C@]2(O)C(=O)COP(=O)([O-])[O-])CCC4=CC(=O)C=C[C@]34C)O MCULE-7060525477 [1,1,0,0,0,0|2,0,0]=4 40 B33R4.2673743778 C[C@]12CC(C3C(C1CC[C@]2(O)C(=O)COS(=O)(=O)C)CCC4=CC(=O)C=C[C@]34C)O MCULE-2489808747 [1,1,0,0,0,0|1,0,0]=3 41 B33R4.2673743778 C[C@]12CC(C3[C@H]([C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-])CCC4=CC(=O)C=C[C@]34C)O MCULE-3639854606 [1,1,0,0,0,0|2,0,0]=4 42 B33R4.2673743778 C[C@]12CC(C3[C@H]([C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-])CCC4=CC(=O)C=C[C@]34C)O MCULE-9335568622 [1,1,0,0,0,0|2,0,0]=4 43 B33R4.2673743778 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O)CCC4=CC(=O)C=C[C@]34C)O MCULE-5849735071 [1,1,0,0,0,0|2,0,0]=4 44 B33R4.2673743778 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-])CCC4=CC(=O)C=C[C@]34C)O MCULE-5754435732 [1,1,0,0,0,0|2,0,0]=4 45 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CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]([C@@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O MCULE-6602023910 [1,1,0,0,0,0|0,0,0]=2 60 B33R4.2673754164 [C@@H]12CCC3=CC(=O)C=C[C@@]3(C1([C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)COC(=O)C)C)Cl)Cl)C MCULE-4427193995 [1,1,0,0,0,0|1,0,0]=3 61 B33R4.2673754164 [C@@H]12CCC3=CC(=O)C=C[C@@]3(C1([C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)COC(=O)C)C)O)F)C MCULE-4420235073 [1,1,0,0,0,0|0,0,0]=2 62 B33R4.2673754164 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@]34C)Cl)Cl)C)(O)C(=O)COC(=O)C MCULE-6462964130 [1,1,0,0,0,0|1,0,0]=3 63 B33R4.2673754164 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@]34C)Cl)Cl)C)(O)C(=O)COC(=O)C MCULE-7971355256 [1,1,0,0,0,0|1,0,0]=3 64 B33R4.2673754164 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@]34C)F)O)C)(O)C(=O)COC(=O)C MCULE-2019330746 [1,1,0,0,0,0|0,0,0]=2 65 B33R4.2673754164 [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)COC(=O)C MCULE-2834153710 [1,1,0,0,0,0|0,0,2]=4 66 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MCULE-4494500718 [1,1,0,0,0,0|0,0,0]=2 74 B33R4.3142270247 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CSC(=S)NC)C)O)C MCULE-3429924413 [1,1,0,0,0,0|0,2,0]=4 75 B33R4.3142270247 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CSC(=S)OC)C)O)C MCULE-7990820469 [1,1,0,0,0,0|0,2,0]=4 76 B33R4.3142270247 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)COC(=O)CC)C)O)C MCULE-5966997792 [1,1,0,0,0,0|0,0,2]=4 77 B33R4.3142270247 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)COC(=O)CN)C)O)C MCULE-3419267005 [1,1,0,0,0,0|0,0,2]=4 78 B33R4.3142270247 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)COC(=O)CN)C)O)C MCULE-3521079663 [1,1,0,0,0,0|0,0,2]=4 79 B33R4.3179705232 [C@@H]12CCC3=CC(=O)C=C([C@@]3([C@H]1C(C[C@]4([C@H]2CC[C@]4(O)C(=O)COC(=O)C)C)O)C)C MCULE-3588513075 [1,1,0,0,0,0|0,0,0]=2 80 B35R4.3254567659 CC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)O MCULE-4028804378 [0,2,0,0,0,0|0,0,0]=2 81 B35R4.3254567659 [C@@H]12C[C@H]([C@]([C@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)F)O)C)(O)C(=O)COC(=O)C)C MCULE-3184599660 [0,2,0,0,0,0|0,0,0]=2 82 B35R4.3254567659 [C@@H]12C[C@H]([C@]([C@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)F)O)C)(O)C(=O)COC(=O)C)C MCULE-5208172512 [0,2,0,0,0,0|0,0,0]=2 83 B33R5.2564818468 CC(=O)OCC(=O)[C@]1(CCC2[C@@]1(C[C@H]3[C@@]4(C2CCC5=CC(=O)C=C[C@@]54C)O3)C)O MCULE-9800951202 [1,0,0,1,0,0|0,0,0]=2 84 B33R5.2564818468 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@@]14O[C@H]4C[C@]5([C@H]2CC[C@]5(O)C(=O)COC(=O)C)C)C MCULE-9092043148 [1,0,0,1,0,0|0,0,0]=2 85 B33R4.2673743334 C[C@]12C[C@@H](C3C(C1CC[C@]2(O)C(=O)CSCC(=O)O)CCC4=CC(=O)C=C[C@]34C)O MCULE-3554874553 [1,0,0,0,0,1|1,1,0]=4 86 B33R4.2673743334 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CSCC(=O)O)C)O)C MCULE-1636448026 [1,0,0,0,0,1|1,1,0]=4