0 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,0,0,0,0,0|0,0,4]=4 2 B11R1.21 CC(=O)N1CCC(C(C1)O)C 11a_100000696640_100015343762 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.21 CC(=O)N1CCC(C(C1)O)C 240690a_100000696640_100015343762 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.21 CC(=O)N1CCC(C(C1)O)C 527a_100000696640_100103153847 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.13 CC1=CCN(CC1)C(C)C 2230a_100000693516_100000210206 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.13 CC1=CCN(CC1)C(C)C 269982a_100000693516_100000210206 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.13 CC1=CCN(CC1)C(C)C 34a_100000693516_100000210206 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [1,0,0,0,0,0|1,0,2]=4 25 B12R1.56 C=C(C)C1CC=C(C(C1)OC)C 34a_100000038928_200000210301 [0,1,0,0,0,0|0,0,0]=1 26 B12R1.56 C=C(C)C1CC=C(C(C1)OC)C 7a_100000038928_200000210301 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.56 C=C(C)C1CC=C(C(C1)O[13CH3])C 34a_100000038928_200025704644 [0,1,0,0,0,0|0,0,0]=1 28 B12R1.56 C=C(C)C1CC=C(C(C1)O[13CH3])C 7a_100000038928_200025704644 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.56 C=C(C)[C@@H]1CC[C@H](C(C1)NC)C 269862a_106832991636_100015799859 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.56 C=C(C)[C@@H]1CC[C@H](C(C1)NC)C 270004a_106832991635_100015799859 [0,1,0,0,0,0|1,0,2]=4 31 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,0,1,0,0,0|0,0,2]=3 32 B10R0.57 C=C(C)CNC(=O)/C(=C/C)/C 11a_100000765925_100020587367 [0,0,1,0,0,0|1,0,2]=4 33 B10R0.57 C=C(C)CNC(=O)/C(=C/C)/C 1626a_100000765925_100020587367 [0,0,1,0,0,0|1,0,2]=4 34 B10R0.82 C=C(C)C(C)NCC(C)CO 269862a_100000744482_100011216138 [0,0,1,0,0,0|1,0,2]=4 35 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,0,1,0,0,0|2,0,1]=4 36 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,0,1,0,0,0|2,0,1]=4 37 B10R0.88 C/C=C/CN(CCO)C(C)C 269982a_100000224655_100102629194 [0,0,1,0,0,0|1,0,2]=4 38 B10R0.88 CC=CCN(CCO)C(C)C 2230a_100000224655_100000070051 [0,0,1,0,0,0|1,0,2]=4 39 B10R0.98 C=C(C)CCNC(C)C(C)C 2230a_100000211541_100000730704 [0,0,1,0,0,0|2,0,1]=4 40 B10R0.98 C=C(C)CCOC(C)C(C)C 7a_100000748068_100000730704 [0,0,1,0,0,0|2,0,1]=4 41 B10R0.98 C=C(C)CNNC(=O)[C@@H](C)O 22a_100000729518_100000717761 [0,0,1,0,0,0|3,0,0]=4 42 B10R0.98 C=C(C)CNNC(=O)[C@H](C)O 22a_100000729518_217856618621 [0,0,1,0,0,0|3,0,0]=4 43 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,0,1,0,0,0|2,0,1]=4 44 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,0,1,0,0,0|2,0,1]=4 45 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,0,0,0,1,0|2,0,1]=4 46 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,0,0,0,1,0|2,0,1]=4 47 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,0,0,0,1,0|2,0,1]=4 48 B12R1.19 C=C(C)CN1CCC(C(C1)O)C 2230a_100000696640_100000748629 [0,0,0,0,0,1|1,0,2]=4 49 B12R1.19 C=C(C)CN1CCC(C(C1)O)C 269982a_100000696640_100000748629 [0,0,0,0,0,1|1,0,2]=4 50 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [1,0,1,0,0,0|1,0,1]=4 51 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [1,0,1,0,0,0|1,0,1]=4 52 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [1,0,1,0,0,0|1,0,1]=4 53 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [1,0,1,0,0,0|1,0,1]=4 54 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [1,0,1,0,0,0|1,0,1]=4 55 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [1,0,1,0,0,0|1,0,1]=4 56 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [1,0,1,0,0,0|1,0,1]=4 57 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [1,0,1,0,0,0|1,0,1]=4 58 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [1,0,1,0,0,0|1,0,1]=4 59 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [1,0,1,0,0,0|1,0,1]=4 60 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [1,0,1,0,0,0|1,0,1]=4 61 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [1,0,1,0,0,0|0,0,2]=4 62 B9R0.7 C=C(C)CCC(C)N(C)C 270004a_100102631434_100011215600 [1,0,1,0,0,0|1,0,1]=4 63 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [1,0,1,0,0,0|2,0,0]=4 64 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [1,0,1,0,0,0|2,0,0]=4 65 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [1,0,1,0,0,0|2,0,0]=4 66 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [1,0,1,0,0,0|0,0,2]=4 67 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [1,0,1,0,0,0|0,0,2]=4 68 B9R0.48 C=C(C)COC(C)/C=C/C 34a_200102604097_100000748629 [1,0,1,0,0,0|2,0,0]=4 69 B9R0.24 C=CC(C)COC(C)CO 34a_100011215527_100012180447 [1,0,1,0,0,0|1,0,1]=4 70 B9R0.24 C=CC(C)COC(C)CO 7a_100011215527_100012180447 [1,0,1,0,0,0|1,0,1]=4 71 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [1,0,1,0,0,0|1,0,1]=4 72 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [1,0,1,0,0,0|1,0,1]=4 73 B9R0.47 C=CCCNC(=O)[C@@H](C)O 240690a_100015191253_100000717761 [1,0,1,0,0,0|2,0,0]=4 74 B9R0.47 C=CCCNC(=O)[C@H](C)O 1626a_100015191253_217856618621 [1,0,1,0,0,0|2,0,0]=4 75 B9R0.47 C=CCCNC(=O)[C@H](C)O 240690a_100015191253_217856618621 [1,0,1,0,0,0|2,0,0]=4 76 B9R0.40 C/C=C/CN(CC)CCO 269982a_100000210973_100102629194 [1,0,1,0,0,0|1,0,1]=4 77 B9R0.40 CC=CCN(CC)CCO 2230a_100000210973_100000070051 [1,0,1,0,0,0|1,0,1]=4 78 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [1,0,1,0,0,0|1,0,1]=4 79 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [1,0,1,0,0,0|1,0,1]=4 80 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [1,0,1,0,0,0|1,0,1]=4 81 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [1,0,1,0,0,0|1,0,1]=4 82 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [1,0,1,0,0,0|1,0,1]=4 83 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [1,0,1,0,0,0|1,0,1]=4 84 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [1,0,1,0,0,0|1,0,1]=4 85 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [1,0,1,0,0,0|1,0,1]=4 86 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [2,0,0,0,0,0|1,0,1]=4 87 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [2,0,0,0,0,0|1,0,1]=4 88 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [2,0,0,0,0,0|1,0,1]=4 89 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [2,0,0,0,0,0|1,0,0]=3 95 B11R0.59 C=C(C)CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000730704 [0,1,1,0,0,0|0,0,2]=4 96 B11R0.78 C/C=C/CNC(CCO)C(C)C 34a_100161115045_100102629194 [0,1,1,0,0,0|0,0,2]=4 97 B11R0.78 CC=CCNC(CCO)C(C)C 2230a_100161115045_100000070051 [0,1,1,0,0,0|0,0,2]=4 98 B11R0.78 CC=CCNC(CCO)C(C)C 34a_100161115045_100000070051 [0,1,1,0,0,0|0,0,2]=4 99 B11R0.84 C=C(C)CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000730704 [0,1,1,0,0,0|1,0,1]=4 100 B11R0.273 C=C(C)CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000730704 [0,1,1,0,0,0|1,0,1]=4 101 B11R0.273 C=C(C)CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000730704 [0,1,1,0,0,0|1,0,1]=4 102 B11R0.273 C=C(C)CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000730704 [0,1,1,0,0,0|1,0,1]=4 103 B11R0.273 C=C(C)CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000730704 [0,1,1,0,0,0|1,0,1]=4 104 B11R1.22 C=CC(=O)N1CC=C(CC1)C 1626a_100000693516_100000185746 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.22 C=CC(=O)N1CC=C(CC1)C 240690a_100000693516_200121576911 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.22 C=CC(C)N1CC=C(CC1)C 269982a_100000693516_100011215867 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.22 CC1=CCC(CC1)C(=O)CF 1458a_100000137427_100015361967 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.22 CC1=CCN(CC1)C(=O)CO 240690a_100000693516_100000210174 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.22 CC1=CCN(CC1)C(=O)CO 527a_100000693516_100000210174 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.22 CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210202 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.22 CCC(=O)N1CC=C(CC1)C 11a_100000693516_100000210414 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.22 CCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000210414 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.22 CCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000210414 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.22 CCC(=O)N1CC=C(CC1)C 527a_100000693516_100000210414 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.22 CNC(=O)C1CC=C(CC1)C 11a_106832991635_100000137427 [1,1,0,0,0,0|1,0,0]=3 116 B11R1.22 CNC(=O)C1CC=C(CC1)C 1626a_100102657272_100000137427 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.22 CNC(=O)C1CC=C(CC1)C 240690a_100102657272_100000137427 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.22 CNC(=O)C1CC=C(CC1)C 527a_100102657272_100000137427 [1,1,0,0,0,0|1,0,0]=3 119 B11R1.22 CNC(=O)N1CC=C(CC1)C 2708a_100102657272_100000693516 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.22 CNC(=O)N1CC=C(CC1)C 273464a_100102657272_100000693516 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.22 CNC(C)C1CC=C(CC1)C 269862a_106832991636_100000073480 [1,1,0,0,0,0|0,0,2]=4 122 B11R1.22 CNC(C)C1CC=C(CC1)C 270004a_106832991635_100000073480 [1,1,0,0,0,0|0,0,2]=4 123 B13R1.354 C=C(C)C1CC=C(C(C1)OCC)C 34a_100000038928_100000210202 [0,2,0,0,0,0|0,0,0]=2 124 B13R1.354 C=C(C)C1CC=C(C(C1)OCC)C 7a_100000038928_100000210202 [0,2,0,0,0,0|0,0,0]=2 125 B13R1.354 C=C(C)C1CC=C(C(C1)OCF)C 34a_100000038928_100015361967 [0,2,0,0,0,0|0,0,0]=2 126 B13R1.354 C=C(C)C1CC=C(C(C1)OCF)C 7a_100000038928_100015361967 [0,2,0,0,0,0|0,0,0]=2 127 B11R1.153 C=C1CC(C1)NC(=O)[C@H](C)O 1626a_100132301982_217856618621 [0,0,1,1,0,0|2,0,0]=4 128 B11R2.845 CC(=O)C1CC2C=CC1C2 1458a_100000211946_200000210301 [1,0,0,1,0,0|2,0,0]=4 129 B11R2.845 [13CH3]C(=O)C1CC2C=CC1C2 1458a_100000211946_200025704644 [1,0,0,1,0,0|2,0,0]=4 130 B9R0.23 C=C(C)CC(=O)/C(=C/C)/C 1458a_100020587367_100000748629 [0,0,1,0,1,0|0,0,2]=4 131 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [1,0,0,0,1,0|2,0,0]=4 132 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [1,0,0,0,1,0|2,0,0]=4 133 B11R1.20 C=C(C)CN1CC=C(CC1)C 2230a_100000693516_100000748629 [1,0,0,0,0,1|1,0,0]=3 134 B11R1.20 C=C(C)CN1CC=C(CC1)C 269982a_100000693516_100000748629 [1,0,0,0,0,1|1,0,0]=3 135 B11R1.20 C=C(C)CN1CC=C(CC1)C 34a_100000693516_100000748629 [1,0,0,0,0,1|1,0,0]=3 136 B11R1.20 C=C(F)CN1CC=C(CC1)C 2230a_100000693516_100009893438 [1,0,0,0,0,1|2,0,0]=4 137 B11R1.20 C=C(F)CN1CC=C(CC1)C 269982a_100000693516_100009893438 [1,0,0,0,0,1|2,0,0]=4 138 B11R1.20 C=C(F)CN1CC=C(CC1)C 34a_100000693516_100009893438 [1,0,0,0,0,1|2,0,0]=4