0 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [0,0,0,0,0,0|0,0,4]=4 1 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [1,0,0,0,0,0|0,0,2]=3 4 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [1,0,0,0,0,0|0,0,2]=3 10 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|0,0,0]=1 11 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [1,0,0,0,0,0|0,0,2]=3 16 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [1,0,0,0,0,0|0,0,2]=3 17 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 HMDB0041493 [0,1,0,0,0,0|0,0,1]=2 18 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)=O HMDB0032025 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [1,0,1,0,0,0|0,0,2]=4 20 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [1,0,1,0,0,0|0,0,2]=4 21 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|0,0,2]=4 22 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|0,0,0]=2 23 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [2,0,0,0,0,0|0,0,2]=4 29 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F HMDB0014023 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [1,1,0,0,0,0|0,0,1]=3 42 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [1,1,0,0,0,0|0,0,0]=2 43 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.120 CC(C)C1=CC(O)=C(C=C1)C(C)C HMDB0032579 [0,2,0,0,0,0|1,0,0]=3 49 B13R1.74 CC(C)C1=CC=C(CCC=O)C=C1 HMDB0036171 [0,2,0,0,0,0|0,0,1]=3 50 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,0,0,0,0,1|1,0,1]=4