0 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.21 CC(C)C1CC=C(C)C(=O)C1 HMDB0034974 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.21 OC1=CC=C(C=C1O)[N+]([O-])=O HMDB0002916 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|0,0,2]=3 6 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [1,0,0,0,0,0|0,0,2]=3 10 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [1,0,0,0,0,0|0,0,2]=3 13 B10R1.176 CCC1=CN=C(C)C(C)=N1 HMDB0029727 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O HMDB0034732 [0,1,0,0,0,0|0,0,1]=2 16 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000216 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.367 OC(C=O)C1=CC(O)=C(O)C=C1 HMDB0006242 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [0,1,0,0,0,0|2,0,0]=3 19 B10R0.98 CC(C)=CC/C=C(\C)C(O)=O HMDB0035135 [0,0,1,0,0,0|1,0,2]=4 20 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,0,0,0,1,0|0,0,3]=4 21 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,0,0,0,0,1|2,0,1]=4 22 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [1,0,1,0,0,0|0,0,2]=4 23 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [1,0,1,0,0,0|0,0,2]=4 24 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [2,0,0,0,0,0|0,0,0]=2 38 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [1,1,0,0,0,0|0,0,0]=2 43 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [1,1,0,0,0,0|0,0,1]=3 47 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [1,1,0,0,0,0|0,0,0]=2 48 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HMDB0029662 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 HMDB0032132 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 HMDB0012219 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.192 NCCC1=CC(O)=C(O)C=C1 HMDB0000073 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.192 OC1=C(O)C=C(CC=O)C=C1 HMDB0003791 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.280 COC1=C(O)C=CC(CO)=C1 HMDB0032012 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.280 COC1=CC(CN)=CC=C1O HMDB0012309 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.510 CC(N)C(O)C1=CC(O)=C(O)C=C1 HMDB0002832 [0,1,0,0,0,1|2,0,0]=4 60 B13R1.120 CC(C)C1=CC(O)=C(C=C1)C(C)C HMDB0032579 [0,2,0,0,0,0|0,0,0]=2 61 B13R1.49 COC1=CC(=CC=C1O)C(O)CN HMDB0000819 [0,2,0,0,0,0|2,0,0]=4 62 B13R1.49 COC1=CC(=CC=C1O)C(O)CO HMDB0001490 [0,2,0,0,0,0|2,0,0]=4 63 B13R1.354 CCOC1=C(C)C=CC(=C1)C(C)C HMDB0037272 [0,2,0,0,0,0|0,0,0]=2 64 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000068 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,0,0,0,0,1|1,0,1]=4