0 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,0,0|0,0,2]=2 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(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 CC(C)=C1CCC(C)=CC1 HMDB0036994 [0,0,0,0,0,0|0,0,4]=4 5 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [0,0,0,0,0,0|0,0,2]=2 6 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.13 CC(C)C1=CCC(=C)CC1 HMDB0036997 [0,0,0,0,0,0|0,0,4]=4 8 B10R1.13 CC(C)C1=CCC(C)=CC1 HMDB0005806 [0,0,0,0,0,0|0,0,2]=2 9 B10R1.13 CC(C)C1=CCC(C)C=C1 HMDB0038150 [0,0,0,0,0,0|0,0,2]=2 10 B10R1.13 CC(C)C1=CCC(C)CC1 HMDB0037213 [0,0,0,0,0,0|0,0,4]=4 11 B10R1.13 CC(C)C1=NC=C(C)N=C1 HMDB0037151 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [0,0,0,0,0,0|0,0,2]=2 13 B10R1.13 CC(C)C1CCC(=C)C=C1 HMDB0036081 [0,0,0,0,0,0|0,0,4]=4 14 B10R1.13 CC(C)C1CCC(=O)C=C1 HMDB0035929 [0,0,0,0,0,0|1,0,3]=4 15 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [0,0,0,0,0,0|0,0,2]=2 18 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [0,0,0,0,0,0|0,0,2]=2 19 B10R1.13 [C@H]1(CCC(=C)C=C1)C(C)C HMDB0041633 [0,0,0,0,0,0|0,0,4]=4 20 B10R1.13 [C@H]1(CCC(=C)C=C1)C(C)C HMDB0041634 [0,0,0,0,0,0|0,0,4]=4 21 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.1 CCC1=NC=C(C)N=C1 HMDB0041568 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 COC1=NC=C(C)N=C1 HMDB0040141 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 CSC1=NC=C(C)N=C1 HMDB0040060 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.6 CC(=O)C1=CC=CC=C1 HMDB0033910 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.6 CC(=O)C1=CC=CC=N1 HMDB0035281 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 CC(=O)C1=CN=CC=C1 HMDB0033131 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 CC(C)C1=CC=CC=C1 HMDB0034029 [1,0,0,0,0,0|0,0,0]=1 37 B9R1.6 CC(C)C1=CN=CC=N1 HMDB0041570 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.6 OC(=O)C1=CC=CC=C1 HMDB0001870 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [0,1,0,0,0,0|0,0,3]=4 42 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.3 COC1=NC=C(N=C1)C(C)C HMDB0040052 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.21 CC(C)C1CC=C(C)C(=O)C1 HMDB0034974 [0,1,0,0,0,0|0,0,3]=4 50 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,0,0|0,0,1]=2 51 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.166 CC(C)=C1CCC(C)=CC1=O HMDB0036999 [0,1,0,0,0,0|0,0,3]=4 57 B11R1.166 CC(C)C1CCC(C)=CC1=O HMDB0034975 [0,1,0,0,0,0|0,0,3]=4 58 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035737 [0,1,0,0,0,0|0,0,3]=4 59 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035738 [0,1,0,0,0,0|0,0,3]=4 60 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [0,0,1,0,0,0|0,0,2]=3 61 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [0,0,1,0,0,0|0,0,2]=3 62 B9R1.35 CC(=O)C1=CC=C(C)O1 HMDB0035226 [0,0,0,0,1,0|2,0,1]=4 63 B9R1.35 CC(=O)C1=CC=C(C)S1 HMDB0033130 [0,0,0,0,1,0|2,0,1]=4 64 B9R1.35 CC(C)C1=CC=C(C)O1 HMDB0033238 [0,0,0,0,1,0|1,0,0]=2 65 B9R1.35 CC(C)C1=CSC(C)=N1 HMDB0040100 [0,0,0,0,1,0|2,0,0]=3 66 B9R1.35 CC(C)C1=NC(C)=CS1 HMDB0037156 [0,0,0,0,1,0|2,0,0]=3 67 B9R1.35 CC(C)C1OC(=O)C=C1 HMDB0041474 [0,0,0,0,1,0|2,0,1]=4 68 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,0,0,0,0,1|1,0,1]=3 69 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [1,0,1,0,0,0|1,0,1]=4 70 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [1,0,1,0,0,0|0,0,1]=3 71 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [1,0,1,0,0,0|1,0,1]=4 72 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,0,1,0,0,0|1,0,1]=4 73 B8R0.8 C/C=C/CC(=C)C(C)C HMDB0037777 [1,0,1,0,0,0|0,0,1]=3 74 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,2]=4 75 B8R1.2 C=CC1=CC=CC=C1 HMDB0034240 [2,0,0,0,0,0|0,0,2]=4 76 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|1,0,0]=3 81 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|0,0,0]=2 84 B8R1.3 CC1=CN=C(C)C=N1 HMDB0035289 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|0,0,1]=3 87 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.1 CCCC1=NC=C(C)N=C1 HMDB0040000 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.1 CCOC1=NC=C(C)N=C1 HMDB0040142 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.1 OC1=CC=C(CC=C)C=C1 HMDB0034107 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.3 CCC1=CN=C(CC)C=N1 HMDB0036808 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.3 COC1=CC=C(CO)C=C1 HMDB0034241 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.25 CCC1=C(C)N=C(C)C=N1 HMDB0040299 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [1,1,0,0,0,0|0,0,0]=2 103 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.176 CCC1=CC(O)=C(O)C=C1 HMDB0040174 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.176 CCC1=CC=C(O)C(C)=C1 HMDB0038984 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.176 CCC1=CN=C(C)C(C)=N1 HMDB0029727 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,1,0,0,0,0|0,0,1]=3 108 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.15 COC(=O)C1=CC=CC=C1 HMDB0033968 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.15 OC(C#N)C1=CC=CC=C1 HMDB0034666 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.28 [CH2]C(C)(C)C1=CC=CC=C1 HMDB0031788 [1,1,0,0,0,0|0,0,0]=2 116 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.61 CC(C)C1=CC=CC=C1C HMDB0037050 [1,1,0,0,0,0|0,0,0]=2 119 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|0,0,0]=2 120 B10R1.113 CC(C)C1=CC=CC(C)=C1 HMDB0037051 [1,1,0,0,0,0|0,0,0]=2 121 B10R1.58 CC(C)C1=NC(C)=C(C)O1 HMDB0037871 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.58 CC(C)C1=NC(C)=C(C)S1 HMDB0040074 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,1,0,0,1,0|0,0,2]=4 124 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 HMDB0032891 [0,1,0,0,0,1|1,0,1]=4 125 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,1,0,0,0,1|0,0,1]=3 126 B12R1.1021 CC(C)C1=CC(=O)C(O)=CC=C1 HMDB0035213 [0,1,0,0,0,1|1,0,0]=3 127 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 HMDB0032639 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 HMDB0041493 [0,2,0,0,0,0|0,0,0]=2 129 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)=O HMDB0032025 [0,2,0,0,0,0|0,0,0]=2 130 B12R1.256 CC(C)C1=CC=C(C=C1)C(O)=O HMDB0035268 [0,2,0,0,0,0|0,0,1]=3 131 B12R1.452 CC(O)C1=COC(CO)=CC1=O HMDB0038761 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.9 COC(C)(C)C1=CC=C(C)C=C1 HMDB0029653 [0,2,0,0,0,0|0,0,0]=2 133 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O HMDB0034732 [0,2,0,0,0,0|0,0,0]=2 134 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 HMDB0037685 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,2,0,0,0,0|0,0,0]=2 136 B12R2.606 CC1CC2=C(C1)N=C(C)C=N2 HMDB0039832 [0,0,0,1,0,1|2,0,0]=4 137 B12R2.612 CC1CCC2=C1N=CC(C)=N2 HMDB0039831 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.1 CC1=CC=C(CS)O1 HMDB0039800 [1,0,0,0,1,0|2,0,0]=4 139 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|1,0,0]=3 140 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|1,0,0]=3 141 B8R1.1 CCC1=CN=C(C)O1 HMDB0037859 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.1 CCC1=CN=C(C)S1 HMDB0040096 [1,0,0,0,1,0|2,0,0]=4 143 B8R1.1 CCC1=COC(C)=N1 HMDB0037838 [1,0,0,0,1,0|2,0,0]=4 144 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [1,0,0,0,1,0|2,0,0]=4 145 B8R1.1 CCC1=NC(C)=CO1 HMDB0037837 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.1 CCC1=NC=C(C)O1 HMDB0037858 [1,0,0,0,1,0|2,0,0]=4 148 B8R1.1 CSC1=CC=C(C)O1 HMDB0041566 [1,0,0,0,1,0|2,0,0]=4 149 B8R1.1 CSC1=CC=C(C)S1 HMDB0040259 [1,0,0,0,1,0|2,0,0]=4 150 B8R1.7 CC(C)C1=CC=CO1 HMDB0040278 [1,0,0,0,1,0|1,0,0]=3 151 B8R1.7 CC(S)C1=CC=CO1 HMDB0039586 [1,0,0,0,1,0|2,0,0]=4 152 B10R1.18 CC(=O)OC1=CC=CC=C1 HMDB0040733 [1,0,0,0,0,1|1,0,1]=4 153 B10R1.18 CC(C)CC1=CC=CC=N1 HMDB0037291 [1,0,0,0,0,1|1,0,0]=3 154 B10R1.18 CC(C)CC1=CN=CC=C1 HMDB0037287 [1,0,0,0,0,1|1,0,0]=3 155 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 HMDB0036183 [0,0,0,0,0,2|1,0,1]=4 156 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HMDB0040460 [0,0,0,0,0,2|1,0,1]=4 157 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HMDB0004366 [0,0,0,0,0,2|2,0,0]=4