0 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 NC(=O)C1=CNC(=O)C=N1 HMDB0001978 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|0,0,1]=2 12 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [1,0,0,0,0,0|0,0,1]=2 18 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [1,0,0,0,0,0|0,0,2]=3 20 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,0,0|0,0,2]=3 23 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,0,0|0,1,1]=3 24 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.3 COC1=CC=C(C=C1)C(O)=O HMDB0001101 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F HMDB0014023 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.21 CN1C=C(C=CC1=O)C(N)=O HMDB0004193 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.21 OC1=CC=C(C=C1O)[N+]([O-])=O HMDB0002916 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,1,0,0,0,0|0,0,2]=3 46 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.166 OC1=CC(O)=C(C=C1)[N+]([O-])=O HMDB0006200 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [0,0,1,0,0,0|2,0,1]=4 52 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [0,0,1,0,0,0|2,0,1]=4 53 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,0,0,0,0,1|1,0,0]=2 54 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,1,0,0,0|0,0,2]=4 55 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [1,0,1,0,0,0|1,0,1]=4 56 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,1]=3 57 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,1]=4 58 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|0,0,0]=2 59 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|0,1,1]=4 60 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [2,0,0,0,0,0|0,0,0]=2 62 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [2,0,0,0,0,0|0,0,1]=3 64 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|0,0,1]=3 67 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|0,0,1]=3 68 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|0,0,1]=3 69 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|0,0,1]=3 72 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [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|1,0,1]=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|0,0,2]=4 82 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|0,0,2]=4 84 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 HMDB0001466 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.28 [CH2]C(C)(C)C1=CC=CC=C1 HMDB0031788 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.61 CC(=O)C1=NC=CN=C1C HMDB0030001 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.113 C[N+]1=CC(=CC=C1)C([O-])=O HMDB0000875 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.113 C[N+]1=CC=CC(=C1)C(N)=O HMDB0000699 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 HMDB0002730 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.113 OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.31 OCC1=CC=C(O1)C(O)=O HMDB0002432 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 HMDB0032159 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,1,0,0,1,0|2,0,0]=4 104 B12R1.4 COC1=CC=C(CC(O)=O)C=C1 HMDB0002072 [0,1,0,0,0,1|1,0,0]=3 105 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,1,0,0,0,1|0,0,0]=2 106 B12R1.19 OC(=O)CC1=CC(O)=C(O)C=C1 HMDB0001336 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.20 OC(C(O)=O)C1=CC=C(O)C=C1 HMDB0000822 [0,1,0,0,0,1|1,0,0]=3 108 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,1,0,0,0,1|1,0,1]=4 109 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 HMDB0032639 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)=O HMDB0032025 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.256 OC(=O)C1=CC=C(C=C1)C(O)=O HMDB0002428 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000216 [0,2,0,0,0,0|0,0,2]=4 113 B12R1.367 OC(C=O)C1=CC(O)=C(O)C=C1 HMDB0006242 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [0,2,0,0,0,0|0,0,2]=4 115 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HMDB0032573 [0,2,0,0,0,0|0,0,0]=2 116 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HMDB0004826 [0,2,0,0,0,0|0,0,2]=4 117 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O HMDB0029644 [0,2,0,0,0,0|0,0,0]=2 118 B12R1.1000 OC(=O)C1=C(O)C=C(O)C=C1O HMDB0029649 [0,2,0,0,0,0|1,0,0]=3 119 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [1,0,0,0,1,0|2,0,0]=4 123 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,0,1|0,0,0]=2 124 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,0,0,0,0,1|1,0,0]=3 125 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,0,1|1,0,0]=3 126 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [1,0,0,0,0,1|2,0,0]=4 127 B12R1.21 OC(=O)/C=C/C1=CC=C(O)C=C1 HMDB0002035 [0,0,0,0,0,2|1,0,0]=3 128 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [0,0,0,0,0,2|1,0,0]=3 129 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,0,0,0,0,2|1,0,0]=3