0 B11R1.19 CC(C)(O)C1CCC(=C)CC1 HMDB0036991 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,0,0,0,0,0|0,0,4]=4 2 B11R1.19 CC1=CCC(CC1)C(C)(C)S HMDB0035703 [0,0,0,0,0,0|0,1,0]=1 3 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O HMDB0036086 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.19 CC1CCC(CC1)C(C)(C)O HMDB0034717 [0,0,0,0,0,0|0,0,2]=2 5 B10R1.13 CC(=C)C1CCC(C)=CC1 HMDB0032473 [1,0,0,0,0,0|0,0,2]=3 6 B10R1.13 CC(=C)[C@@H]1CCC(C)=CC1 HMDB0004321 [1,0,0,0,0,0|0,0,2]=3 7 B10R1.13 CC(=C)[C@H]1CCC(C)=CC1 HMDB0003375 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.13 CC(=O)C1CCC(C)=CC1 HMDB0033434 [1,0,0,0,0,0|0,0,2]=3 9 B10R1.13 CC(C)=C1CCC(C)=CC1 HMDB0036994 [1,0,0,0,0,0|0,0,2]=3 10 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.13 CC(C)C1=CCC(C)=CC1 HMDB0005806 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [1,0,0,0,0,0|0,0,2]=3 13 B10R1.13 CC(C)C1CCC(=C)C=C1 HMDB0036081 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.13 CC(C)C1CCC(=O)C=C1 HMDB0035929 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [1,0,0,0,0,0|0,0,2]=3 16 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [1,0,0,0,0,0|0,0,2]=3 17 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [1,0,0,0,0,0|0,0,2]=3 18 B10R1.13 [C@H]1(CCC(=C)C=C1)C(C)C HMDB0041633 [1,0,0,0,0,0|0,0,2]=3 19 B10R1.13 [C@H]1(CCC(=C)C=C1)C(C)C HMDB0041634 [1,0,0,0,0,0|0,0,2]=3 20 B12R1.126 CC1CCC(C(O)C1)C(C)(C)O HMDB0036145 [0,1,0,0,0,0|0,0,2]=3 21 B12R1.976 CC(C)(O)C1CCC(C)(O)CC1 HMDB0035595 [0,1,0,0,0,0|0,0,2]=3 22 B10R0.60 CC(C)(O)CCCC(=C)C=C HMDB0036107 [0,0,1,0,0,0|0,0,2]=3 23 B12R2.598 CC1=CCC2CC1OC2(C)C HMDB0038251 [0,0,0,1,0,0|0,0,0]=1 24 B12R2.598 CC1C=CC2CC1OC2(C)C HMDB0037008 [0,0,0,1,0,0|0,0,2]=3 25 B12R2.598 CC1CCC2CC1OC2(C)C HMDB0037019 [0,0,0,1,0,0|0,0,2]=3 26 B12R2.598 CC1CCC2CC1SC2(C)C HMDB0032251 [0,0,0,1,0,0|0,1,2]=4 27 B12R2.1182 CC1=CCC2(CC1)OC2(C)C HMDB0037009 [0,0,0,1,0,0|0,0,0]=1 28 B12R2.5234 CC1(C)OC2(C)CCC1C=C2 HMDB0036085 [0,0,0,1,0,0|0,0,2]=3 29 B9R0.1 CCC(=O)OCCC(C)C HMDB0034164 [1,0,1,0,0,0|2,0,0]=4 30 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [1,0,1,0,0,0|2,0,0]=4 31 B9R1.6 CC(C)C1CCCCC1 HMDB0038191 [2,0,0,0,0,0|0,0,2]=4 32 B11R0.89 C/C(C=C)=C\CC(O)C(C)(C)O HMDB0035122 [0,1,1,0,0,0|1,0,1]=4 33 B11R0.131 CC(C)(O)CCCC(C)(O)C=C HMDB0041216 [0,1,1,0,0,0|0,0,2]=4 34 B11R0.180 CC(CCCC(C)(C)O)CC=O HMDB0031739 [0,1,1,0,0,0|1,0,1]=4 35 B11R0.180 CC(CCO)CCCC(C)(C)O HMDB0030083 [0,1,1,0,0,0|0,0,2]=4 36 B11R1.3 CC(=C)[C@@H]1CCC(CO)=CC1 HMDB0036087 [1,1,0,0,0,0|0,0,2]=4 37 B11R1.3 CC(=C)[C@@H]1CCC(CO)=CC1 HMDB0036088 [1,1,0,0,0,0|0,0,2]=4 38 B11R1.3 CC(C)C1CCC(C=O)=CC1 HMDB0035600 [1,1,0,0,0,0|0,0,1]=3 39 B11R1.21 CC(=C)C1CC=C(C)C(O)C1 HMDB0036083 [1,1,0,0,0,0|0,0,2]=4 40 B11R1.21 CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1 HMDB0003450 [1,1,0,0,0,0|0,0,2]=4 41 B11R1.21 CC(=C)[C@@H]1CC=C(C)[C@H](O)C1 HMDB0036082 [1,1,0,0,0,0|0,0,2]=4 42 B11R1.21 CC(=C)[C@H]1CC=C(C)[C@@H](O)C1 HMDB0035622 [1,1,0,0,0,0|0,0,2]=4 43 B11R1.21 CC(C)C1CC(O)C(=C)C=C1 HMDB0035277 [1,1,0,0,0,0|0,0,2]=4 44 B11R1.21 CC(C)C1CC=C(C)C(=O)C1 HMDB0034974 [1,1,0,0,0,0|0,0,1]=3 45 B11R1.21 CC(C)C1CCC(C)C(=O)C1 HMDB0035272 [1,1,0,0,0,0|0,0,1]=3 46 B11R1.21 CC(C)C1CCC(C)C(O)C1 HMDB0037223 [1,1,0,0,0,0|0,0,2]=4 47 B11R1.21 CC(C)[C@H]1CC[C@H](C)C(=O)C1 HMDB0034969 [1,1,0,0,0,0|0,0,1]=3 48 B11R1.22 CC(CO)C1CCC(C)=CC1 HMDB0037007 [1,1,0,0,0,0|0,0,0]=2 49 B11R1.22 CC1=CCC(CC1)C(=C)CO HMDB0037017 [1,1,0,0,0,0|0,0,2]=4 50 B11R1.166 CC(=C)C1CC=C(C)CC1O HMDB0034715 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.166 CC(C)C1CC=C(C)CC1O HMDB0037016 [1,1,0,0,0,0|0,0,0]=2 52 B11R1.166 CC(C)C1CCC(C)=CC1=O HMDB0034975 [1,1,0,0,0,0|0,0,1]=3 53 B11R1.166 CC(C)C1CCC(C)=CC1O HMDB0035838 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.166 CC(C)C1CCC(C)CC1O HMDB0035765 [1,1,0,0,0,0|0,0,2]=4 55 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035737 [1,1,0,0,0,0|0,0,1]=3 56 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035738 [1,1,0,0,0,0|0,0,1]=3 57 B11R1.166 CC(C)[C@@H]1CCC(C)=C[C@H]1O HMDB0035861 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O HMDB0035763 [1,1,0,0,0,0|0,0,2]=4 59 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O HMDB0003352 [1,1,0,0,0,0|0,0,2]=4 60 B11R1.166 CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O HMDB0035764 [1,1,0,0,0,0|0,0,2]=4 61 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@H]1O HMDB0041628 [1,1,0,0,0,0|0,0,2]=4 62 B11R1.220 CC(=C)C1(O)CCC(C)=CC1 HMDB0037015 [1,1,0,0,0,0|0,0,2]=4 63 B11R1.220 CC(=O)C1(C)CCC(C)=CC1 HMDB0037024 [1,1,0,0,0,0|0,0,2]=4 64 B11R1.220 CC(C)C1(O)CCC(=C)C=C1 HMDB0037303 [1,1,0,0,0,0|0,0,2]=4 65 B11R1.220 CC(C)C1(O)CCC(C)=CC1 HMDB0035833 [1,1,0,0,0,0|0,0,0]=2 66 B11R1.220 CC(C)C1(O)CCC(C)CC1 HMDB0035726 [1,1,0,0,0,0|0,0,2]=4 67 B11R1.220 CC(C)[C@]1(O)CCC(C)=CC1 HMDB0035823 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.727 CC(C)C1CCC(C)(O)CC1 HMDB0037020 [1,1,0,0,0,0|0,0,2]=4 69 B11R1.155 CC1=CC(CCC1)C(C)(C)O HMDB0037048 [1,1,0,0,0,0|0,0,2]=4 70 B11R1.155 CC1=CCCC(C1)C(C)(C)O HMDB0037049 [1,1,0,0,0,0|0,0,0]=2 71 B13R1.338 CC(C)(O)C1CCC(=CC1)C(O)=O HMDB0036998 [0,2,0,0,0,0|0,0,1]=3 72 B13R1.5947 CC(C)(O)C1CCC(O)(CO)CC1 HMDB0034783 [0,2,0,0,0,0|0,0,2]=4 73 B13R1.29 CC1=CCC(CC1)C(C)(C)OC=O HMDB0032050 [0,2,0,0,0,0|0,0,0]=2 74 B13R1.272 CC1=CCC(CC1=O)C(C)(O)CO HMDB0039052 [0,2,0,0,0,0|0,0,1]=3 75 B13R1.272 CC1CCC(CC1O)C(C)(O)CO HMDB0033574 [0,2,0,0,0,0|0,0,2]=4 76 B13R1.8424 CC(C)(O)C1CCC(C)(O)C(O)C1 HMDB0039893 [0,2,0,0,0,0|0,0,2]=4 77 B11R1.866 C/C=C(/C)C1CCC(C)(C)O1 HMDB0038185 [0,0,1,1,0,0|0,0,0]=2 78 B11R1.1072 CC1(C)CCCC(C)(O1)C=C HMDB0037133 [0,0,1,1,0,0|0,0,2]=4 79 B11R2.39 CC1=CCC2C(C1)C2(C)C HMDB0035619 [1,0,0,1,0,0|0,0,0]=2 80 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C HMDB0034697 [1,0,0,1,0,0|0,0,0]=2 81 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C HMDB0035087 [1,0,0,1,0,0|0,0,0]=2 82 B11R2.533 CC1(C)C2CC1C(=C)CC2 HMDB0036560 [1,0,0,1,0,0|0,0,2]=4 83 B11R2.533 CC1(C)[C@@H]2C[C@H]1C(=C)CC2 HMDB0036559 [1,0,0,1,0,0|0,0,2]=4 84 B11R2.533 CC1=CCC2CC1C2(C)C HMDB0006525 [1,0,0,1,0,0|0,0,0]=2 85 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C HMDB0035658 [1,0,0,1,0,0|0,0,0]=2 86 B11R2.746 CC(C)C12CC1C(=O)CC2 HMDB0035229 [1,0,0,1,0,0|1,0,1]=4 87 B11R2.746 CC(C)C12CC1C(C)=CC2 HMDB0036116 [1,0,0,1,0,0|0,0,0]=2 88 B11R2.746 CC(C)[C@]12C[C@H]1C(=C)CC2 HMDB0034928 [1,0,0,1,0,0|0,0,2]=4 89 B11R2.746 CC(C)[C@]12C[C@H]1C(=C)CC2 HMDB0036076 [1,0,0,1,0,0|0,0,2]=4 90 B9R1.35 CC(O)C1CCC(=O)O1 HMDB0033286 [1,0,0,0,1,0|2,0,0]=4