0 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 HMDB0036183 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HMDB0033723 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HMDB0040460 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HMDB0004366 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.1 CC1=CC=C(/C=C/C=O)C=C1 HMDB0029640 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.1 CCOCC1=CC=C(O)C=C1 HMDB0039956 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.1 OC1=CC=C(/C=C/C=O)C=C1 HMDB0040986 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.1 OCCCC1=CC=C(O)C=C1 HMDB0032599 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|0,0,2]=3 10 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,0,0|0,0,2]=3 12 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 HMDB0033597 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 HMDB0033761 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.132 CC(CC(C)=O)C1=CC=C(C)C=C1 HMDB0034177 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.133 NC(CC1=CC=C(N)C=C1)C(O)=O HMDB0030397 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,0,0,0,1,0|1,0,0]=2 18 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 HMDB0000020 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [2,0,0,0,0,0|0,0,0]=2 21 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.1 CCCC1=NC=C(C)N=C1 HMDB0040000 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.1 OC1=CC=C(CC=C)C=C1 HMDB0034107 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.17 CCCCC1=CN=CC=C1 HMDB0032934 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.17 CSSCC1=CC=CC=C1 HMDB0040590 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 N#CCCC1=CC=CC=C1 HMDB0034236 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|0,0,2]=4 31 B10R1.17 O=CCCC1=CC=CC=C1 HMDB0033716 [2,0,0,0,0,0|0,0,0]=2 32 B10R1.17 O=COCC1=CC=CC=C1 HMDB0041485 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.17 OCCCC1=CC=CC=C1 HMDB0033962 [2,0,0,0,0,0|0,0,2]=4 34 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.71 COC1=CC=C(/C=C/C=O)C=C1 HMDB0032611 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.71 COC1=CC=C(COC=O)C=C1 HMDB0034993 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0032020 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.27 CC(CCC1=CC=CC=C1)C=O HMDB0032415 [1,1,0,0,0,0|0,0,1]=3 39 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.27 COC(=O)/C=C\C1=CC=CC=C1 HMDB0033833 [1,1,0,0,0,0|0,0,2]=4 41 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HMDB0033374 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.125 CC(=O)OCC1=CC=CC=C1C HMDB0041472 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.125 OC(=O)CCC1=CC=CC=C1O HMDB0033752 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.226 CC(=O)OCC1=CC=CC(C)=C1 HMDB0041473 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 HMDB0032891 [0,1,0,0,1,0|0,0,0]=2 52 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.20 CC(C(O)=O)C1=CC=C(O)C=C1 HMDB0041683 [0,1,0,0,1,0|2,0,0]=4 54 B14R1.678 CC(CCC(O)=O)C1=CC=C(C)C=C1 HMDB0039643 [0,1,0,0,0,1|1,0,0]=3 55 B14R1.3 COC1=CC=C(CC(O)C(O)=O)C=C1 HMDB0039427 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.3 COC1=CC=C(OC(C)C(O)=O)C=C1 HMDB0040256 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.5 CCC(=O)/C=C/C1=CC=C(OC)C=C1 HMDB0030905 [0,2,0,0,0,0|0,0,2]=4 58 B14R1.5 CCC(=O)OCC1=CC=C(OC)C=C1 HMDB0034990 [0,2,0,0,0,0|1,0,0]=3 59 B14R1.5 COC(=O)/C=C/C1=CC=C(OC)C=C1 HMDB0030752 [0,2,0,0,0,0|0,0,2]=4 60 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 HMDB0034206 [0,2,0,0,0,0|1,0,0]=3 61 B14R1.536 ONC(CC1=CC=C(O)C=C1)C(O)=O HMDB0038750 [0,2,0,0,0,0|2,0,0]=4 62 B14R1.686 NC(=O)C(O)CC1=CC(O)=C(O)C=C1 HMDB0038336 [0,2,0,0,0,0|2,0,0]=4 63 B14R1.686 NC(CC1=CC(=O)C(=O)C=C1)C(O)=O HMDB0039119 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 HMDB0032590 [0,2,0,0,0,0|1,0,0]=3 65 B14R2.4402 CC1=CC=C(C=C1)C2OC2C(O)=O HMDB0030903 [0,0,0,1,0,1|1,0,0]=3 66 B10R1.18 CC(=O)OC1=CC=CC=C1 HMDB0040733 [1,0,0,0,1,0|1,0,0]=3 67 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [1,0,0,0,1,0|1,0,0]=3 68 B10R1.66 CC(=O)OCC1=CC=CO1 HMDB0034246 [1,0,0,0,1,0|2,0,0]=4 69 B10R1.66 CC(=O)SCC1=CC=CO1 HMDB0035088 [1,0,0,0,1,0|2,0,0]=4 70 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,2,0|1,0,0]=3 71 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,2,0|0,0,0]=2 72 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [0,0,0,0,2,0|1,0,0]=3 73 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [0,0,0,0,2,0|0,0,2]=4 74 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,0,0,0,2,0|1,0,0]=3 75 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HMDB0033945 [1,0,0,0,0,1|0,0,0]=2