0 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [0,0,0,0,0,0|0,0,2]=2 9 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [1,0,0,0,0,0|0,0,2]=3 14 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [1,0,0,0,0,0|0,1,0]=2 15 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [1,0,0,0,0,0|0,0,0]=1 17 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [1,0,0,0,0,0|0,0,2]=3 19 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [0,1,0,0,0,0|1,0,1]=3 20 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [0,1,0,0,0,0|0,0,1]=2 26 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [0,1,0,0,0,0|0,0,0]=1 27 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [0,1,0,0,0,0|0,0,2]=3 29 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,1,0,0,0,0|1,0,1]=3 35 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [0,1,0,0,0,0|1,0,1]=3 36 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,1,0,0,0,0|0,0,1]=2 37 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [0,1,0,0,0,0|1,0,1]=3 38 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [0,1,0,0,0,0|1,0,1]=3 39 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.25 OCC1=CNC(=O)NC1=O HMDB0000469 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,0,1,0,0,0|1,0,2]=4 45 B8R0.6 CC/C=C/CC(O)C=C HMDB0030966 [0,0,1,0,0,0|1,0,2]=4 46 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [0,0,0,0,1,0|3,0,0]=4 48 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [1,0,1,0,0,0|0,0,2]=4 49 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [1,0,1,0,0,0|0,0,2]=4 50 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [1,0,1,0,0,0|2,0,0]=4 52 B7R1.3 CC1=CC=CCC1 HMDB0031532 [2,0,0,0,0,0|0,0,2]=4 53 B7R1.3 CC1=CCCC=C1 HMDB0032395 [2,0,0,0,0,0|0,0,2]=4 54 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [2,0,0,0,0,0|1,0,0]=3 55 B7R1.3 OC1=CC=CC=N1 HMDB0013751 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [1,1,0,0,0,0|0,0,2]=4 57 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,1,0,0,0,0|1,0,0]=3 58 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,1,0,0,0,0|0,0,0]=2 59 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,1,0,0,0,0|0,1,0]=3 60 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [1,1,0,0,0,0|0,0,2]=4 62 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,1,0,0,0,0|0,1,0]=3 67 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,1,0,0,0,0|0,0,1]=3 69 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,1,0,0,0,0|0,1,0]=3 70 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,1,0,0,0,0|0,0,2]=4 71 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [1,1,0,0,0,0|1,0,0]=3 75 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [1,1,0,0,0,0|0,0,0]=2 77 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [1,1,0,0,0,0|0,0,0]=2 78 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [1,1,0,0,0,0|1,0,0]=3 80 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.1 CNCCC1=CC=C(O)C=C1 HMDB0003633 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.1 OC/C=C/C1=CC=C(O)C=C1 HMDB0003654 [0,2,0,0,0,0|0,0,0]=2 84 B11R1.1 OC1=CC=C(CN=C=S)C=C1 HMDB0032580 [0,2,0,0,0,0|0,1,0]=3 85 B11R1.1 OCCCC1=CC=C(O)C=C1 HMDB0032599 [0,2,0,0,0,0|0,0,0]=2 86 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,2,0,0,0,0|0,0,1]=3 89 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,2,0,0,0,0|0,0,0]=2 90 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,2,0,0,0,0|0,0,0]=2 91 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.83 COC1=CC=C(/C=C\C)C=C1 HMDB0030837 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 HMDB0012219 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.192 NCCC1=CC(O)=C(O)C=C1 HMDB0000073 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.192 OC1=C(O)C=C(CC=O)C=C1 HMDB0003791 [0,2,0,0,0,0|0,0,1]=3 96 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [0,2,0,0,0,0|0,0,2]=4 98 B11R1.3 COC1=CC=C(C=C1)C(O)=O HMDB0001101 [0,2,0,0,0,0|0,0,1]=3 99 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F HMDB0014023 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,2,0,0,0,0|0,0,2]=4 103 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [0,2,0,0,0,0|0,0,1]=3 106 B11R1.21 OC1=CC=C(C=C1O)[N+]([O-])=O HMDB0002916 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,2,0,0,0,0|0,0,2]=4 108 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,2,0,0,0,0|0,0,1]=3 109 B11R1.166 OC1=CC(O)=C(C=C1)[N+]([O-])=O HMDB0006200 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.280 COC1=C(O)C=CC(CO)=C1 HMDB0032012 [0,2,0,0,0,0|0,0,0]=2 111 B11R1.280 COC1=CC(C=C)=CC=C1O HMDB0013744 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.280 COC1=CC(C=O)=CC=C1O HMDB0012308 [0,2,0,0,0,0|0,0,2]=4 113 B11R1.280 COC1=CC(CN)=CC=C1O HMDB0012309 [0,2,0,0,0,0|1,0,0]=3 114 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [0,0,1,1,0,0|1,0,1]=4 115 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,0,0,0,1,0|1,0,0]=3 116 B7R1.1 SCC1=CC=CS1 HMDB0031853 [1,0,0,0,1,0|1,1,0]=4 117 B7R1.2 OC1C=CC(O)=N1 HMDB0030276 [1,0,0,0,1,0|1,0,1]=4