0 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [0,0,0,0,0,0|1,0,2]=3 13 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,0,0,0,0,0|0,0,2]=3 14 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,0,0|0,1,0]=2 26 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [0,1,0,0,0,0|0,0,2]=3 33 B11R1.3 COC1=CC=C(C=C1)C(O)=O HMDB0001101 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F HMDB0014023 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,0,0|0,0,1]=2 42 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,1,0,0,0,0|0,0,2]=3 47 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [0,0,1,0,0,0|1,0,2]=4 50 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [0,0,1,0,0,0|1,0,2]=4 51 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,0,0,0,0,1|0,0,2]=3 52 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [1,0,1,0,0,0|1,0,1]=4 53 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [1,0,1,0,0,0|1,0,1]=4 54 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,2]=4 55 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|0,0,2]=4 58 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|0,1,0]=3 59 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|0,0,0]=2 60 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [2,0,0,0,0,0|0,0,0]=2 61 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|0,0,1]=3 65 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [1,1,0,0,0,0|0,0,1]=3 72 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.176 CCC1=CN=C(C)C(C)=N1 HMDB0029727 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,1,0,0,0,0|0,0,1]=3 81 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|0,0,2]=4 83 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,1,0,0,0,0|0,0,2]=4 85 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|0,0,2]=4 86 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 HMDB0001466 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.28 [CH2]C(C)(C)C1=CC=CC=C1 HMDB0031788 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|0,0,2]=4 91 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.113 OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.4 COC1=CC=C(CC(O)=O)C=C1 HMDB0002072 [0,1,0,0,0,1|1,0,1]=4 94 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,1,0,0,0,1|0,0,1]=3 95 B12R1.106 CC1=CC=C(OS(O)(=O)=O)C=C1 HMDB0011635 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 HMDB0032639 [0,2,0,0,0,0|0,0,2]=4 97 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 HMDB0041493 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)=O HMDB0032025 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.9 COC(C)(C)C1=CC=C(C)C=C1 HMDB0029653 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O HMDB0034732 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000216 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.367 OC(C=O)C1=CC(O)=C(O)C=C1 HMDB0006242 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HMDB0004826 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|1,0,0]=3 107 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|1,0,0]=3 108 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,0,1|0,0,2]=4 111 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,0,1|1,0,1]=4