0 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.13 CC(=C)C1CCC(C)=CC1 HMDB0032473 [0,0,0,0,0,0|0,0,4]=4 3 B10R1.13 CC(=C)[C@H]1CCC(C)=CC1 HMDB0003375 [0,0,0,0,0,0|0,0,4]=4 4 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.13 CC(C)=C1CCC(C)=CC1 HMDB0036994 [0,0,0,0,0,0|0,0,2]=2 6 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [0,0,0,0,0,0|0,0,2]=2 7 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.13 CC(C)C1=CCC(C)CC1 HMDB0037213 [0,0,0,0,0,0|0,0,2]=2 9 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [0,0,0,0,0,0|0,0,2]=2 10 B10R1.13 CC(C)C1CCC(=C)C=C1 HMDB0036081 [0,0,0,0,0,0|0,0,4]=4 11 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,0,0,0,0,0|0,0,4]=4 12 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [0,0,0,0,0,0|0,0,2]=2 13 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [0,0,0,0,0,0|0,0,2]=2 14 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.3 CC(C)C1CCC(C=O)=CC1 HMDB0035600 [0,1,0,0,0,0|0,0,3]=4 23 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,1,0,0,0,0|0,0,2]=3 25 B11R1.19 CC1=CCC(CC1)C(C)(C)S HMDB0035703 [0,1,0,0,0,0|0,0,2]=3 26 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O HMDB0036086 [0,1,0,0,0,0|0,0,2]=3 27 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,1,0,0,0,0|0,0,2]=3 28 B11R1.21 CC(C)C1CC=C(C)C(=O)C1 HMDB0034974 [0,1,0,0,0,0|0,0,3]=4 29 B11R1.21 CC(C)[C@H]1CC[C@H](C)C(=O)C1 HMDB0034969 [0,1,0,0,0,0|0,0,3]=4 30 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,0,0|0,0,3]=4 31 B11R1.22 CC(C=O)C1=CCC(C)CC1 HMDB0030892 [0,1,0,0,0,0|0,0,3]=4 32 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,0,0|0,0,2]=3 33 B11R1.22 CC(CO)C1CCC(C)=CC1 HMDB0037007 [0,1,0,0,0,0|0,0,2]=3 34 B11R1.166 CC(C)=C1CCC(C)=CC1=O HMDB0036999 [0,1,0,0,0,0|0,0,3]=4 35 B11R1.166 CC(C)C1CC=C(C)CC1O HMDB0037016 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.166 CC(C)C1CCC(C)=CC1=O HMDB0034975 [0,1,0,0,0,0|0,0,3]=4 37 B11R1.166 CC(C)C1CCC(C)=CC1O HMDB0035838 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035737 [0,1,0,0,0,0|0,0,3]=4 39 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035738 [0,1,0,0,0,0|0,0,3]=4 40 B11R1.166 CC(C)[C@@H]1CCC(C)=C[C@H]1O HMDB0035861 [0,1,0,0,0,0|0,0,2]=3 41 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O HMDB0035162 [0,1,0,0,0,0|0,0,3]=4 42 B11R1.166 CC(C)[C@@H]1CC[C@H](C)CC1=O HMDB0034972 [0,1,0,0,0,0|0,0,3]=4 43 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O HMDB0035783 [0,1,0,0,0,0|0,0,3]=4 44 B11R1.166 CC1CCC(=C(C)C)C(=O)C1 HMDB0035604 [0,1,0,0,0,0|0,0,3]=4 45 B11R1.220 CC(C)C1(O)CCC(C)=CC1 HMDB0035833 [0,1,0,0,0,0|0,0,2]=3 46 B11R1.220 CC(C)[C@]1(O)CCC(C)=CC1 HMDB0035823 [0,1,0,0,0,0|0,0,2]=3 47 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [0,0,1,0,0,0|0,0,2]=3 48 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [0,0,1,0,0,0|0,0,2]=3 49 B11R2.39 CC1=CCC2C(C1)C2(C)C HMDB0035619 [0,0,0,1,0,0|0,0,2]=3 50 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C HMDB0034697 [0,0,0,1,0,0|0,0,2]=3 51 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C HMDB0035087 [0,0,0,1,0,0|0,0,2]=3 52 B11R2.533 CC1=CCC2CC1C2(C)C HMDB0006525 [0,0,0,1,0,0|0,0,2]=3 53 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C HMDB0035658 [0,0,0,1,0,0|0,0,2]=3 54 B11R2.746 CC(C)C12CC1C(C)=CC2 HMDB0036116 [0,0,0,1,0,0|0,0,2]=3 55 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [1,0,1,0,0,0|1,0,1]=4 56 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [1,0,1,0,0,0|2,0,0]=4 57 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [1,0,1,0,0,0|0,0,1]=3 58 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,0,1,0,0,0|1,0,1]=4 59 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,1]=4 60 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|0,0,2]=4 62 B10R0.3 CC(C)=CC/C=C(\C)CC=O HMDB0030893 [0,1,1,0,0,0|0,0,1]=3 63 B10R0.3 CC(C)=CCC/C(C)=C/CO HMDB0035155 [0,1,1,0,0,0|0,0,2]=4 64 B10R0.3 CC(C)=CCC/C(C)=C\CS HMDB0036106 [0,1,1,0,0,0|0,0,2]=4 65 B10R1.176 CCC1=CN=C(C)C(C)=N1 HMDB0029727 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|0,0,2]=4 67 B10R1.28 [CH2]C(C)(C)C1=CC=CC=C1 HMDB0031788 [1,1,0,0,0,0|0,0,2]=4 68 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.113 CC(C)=C1CCC=C(C)C1 HMDB0033200 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,1,0,0,1,0|0,0,1]=3 71 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 HMDB0041493 [0,2,0,0,0,0|0,0,2]=4 72 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)=O HMDB0032025 [0,2,0,0,0,0|0,0,2]=4 73 B12R1.9 COC(C)(C)C1=CC=C(C)C=C1 HMDB0029653 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O HMDB0034732 [0,2,0,0,0,0|0,0,2]=4 75 B12R1.16 CC(CC=O)C1CCC(C)=CC1 HMDB0030252 [0,2,0,0,0,0|0,0,2]=4 76 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,2,0,0,0,0|0,0,2]=4 77 B12R2.1182 CC1=CCC2(CC1)OC2(C)C HMDB0037009 [0,0,0,1,0,1|0,0,2]=4 78 B12R2.1957 CC1(C)C2CC1C(CO)=CC2 HMDB0035100 [0,1,0,1,0,0|0,0,2]=4 79 B12R2.1957 CC1(C)[C@H]2C[C@@H]1C(CO)=CC2 HMDB0035125 [0,1,0,1,0,0|0,0,2]=4 80 B12R2.598 CC1=CCC2CC1OC2(C)C HMDB0038251 [0,1,0,1,0,0|0,0,2]=4 81 B12R2.612 CC1=C2CCC(C)=CC2OC1 HMDB0037561 [0,1,0,1,0,0|0,0,2]=4 82 B12R2.766 CC1=CC(O)C2CC1C2(C)C HMDB0036129 [0,1,0,1,0,0|0,0,2]=4 83 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|1,0,1]=4 84 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|1,0,1]=4 85 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [1,0,0,0,1,0|2,0,0]=4 86 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [1,0,0,0,1,0|2,0,0]=4