0 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.22 CC(C=O)C1=CCC(C)CC1 HMDB0030892 [0,0,0,0,0,0|0,0,4]=4 2 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,0,0,0,0,0|0,0,0]=1 6 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|0,0,1]=2 12 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [1,0,0,0,0,0|0,0,3]=4 13 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|0,0,1]=2 14 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [1,0,0,0,0,0|0,0,3]=4 15 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [1,0,0,0,0,0|0,0,3]=4 17 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [1,0,0,0,0,0|0,0,3]=4 22 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [1,0,0,0,0,0|0,0,3]=4 23 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,0,0,0,0,0|0,0,2]=3 25 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.9 COC(C)(C)C1=CC=C(C)C=C1 HMDB0029653 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.20 OC(C(O)=O)C1=CC=C(O)C=C1 HMDB0000822 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.367 OC(C=O)C1=CC(O)=C(O)C=C1 HMDB0006242 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,0,0,0,0,1|0,0,0]=1 31 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|0,0,0]=2 32 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [2,0,0,0,0,0|1,0,1]=4 44 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [2,0,0,0,0,0|0,0,0]=2 45 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [2,0,0,0,0,0|0,1,1]=4 46 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|0,0,1]=3 48 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|0,1,0]=3 49 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.1 CC1=CC=C(/C=C/C=O)C=C1 HMDB0029640 [1,1,0,0,0,0|0,0,1]=3 52 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.83 COC1=CC=C(/C=C\C)C=C1 HMDB0030837 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.192 OC1=C(O)C=C(CC=O)C=C1 HMDB0003791 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [1,1,0,0,0,0|0,0,2]=4 57 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [1,1,0,0,0,0|0,0,1]=3 58 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [1,1,0,0,0,0|0,0,1]=3 59 B11R1.3 COC1=CC=C(C=C1)C(O)=O HMDB0001101 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [1,1,0,0,0,0|0,0,1]=3 62 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [1,1,0,0,0,0|0,0,1]=3 64 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [1,1,0,0,0,0|0,0,1]=3 66 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 HMDB0011743 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.36 CC(N(C)C)C1=CC=CC=C1 HMDB0032243 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.36 NC(C(O)=O)C1=CC=CC=C1 HMDB0002210 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.36 OC(=O)C(=O)C1=CC=CC=C1 HMDB0001587 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 HMDB0000703 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.133 NC(CC1=CC=C(N)C=C1)C(O)=O HMDB0030397 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.133 NC(CC1=CC=C(O)C=C1)C(N)=O HMDB0013319 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O HMDB0000158 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.133 OC(CC1=CC=C(O)C=C1)C(O)=O HMDB0000755 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.132 CC(CC(C)=O)C1=CC=C(C)C=C1 HMDB0034177 [0,2,0,0,0,0|0,0,0]=2 77 B13R1.132 NC(CC(O)=O)C1=CC=C(O)C=C1 HMDB0003831 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.510 OC(C(O)=O)C1=CC=C(O)C(O)=C1 HMDB0001866 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.49 COC1=C(O)C=CC(=C1)C(O)C=O HMDB0004061 [0,2,0,0,0,0|2,0,0]=4 80 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.7 CN1C=NC(CC=O)=C1 HMDB0004181 [1,0,0,0,1,0|2,0,0]=4 82 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [1,0,0,0,0,1|0,0,1]=3