0 B12R1.21 OC(=O)/C=C/C1=CC=C(O)C=C1 HMDB0002035 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.1 CC1=CC=C(/C=C/C=O)C=C1 HMDB0029640 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.1 CNCCC1=CC=C(O)C=C1 HMDB0003633 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.1 OC1=CC=C(CN=C=S)C=C1 HMDB0032580 [1,0,0,0,0,0|1,1,1]=4 6 B11R1.1 OCCCC1=CC=C(O)C=C1 HMDB0032599 [1,0,0,0,0,0|0,0,2]=3 7 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,0,0|0,0,2]=3 10 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.3 COC1=CC=C(/C=C/C(O)=O)C=C1 HMDB0002040 [0,1,0,0,0,0|1,0,2]=4 15 B13R1.132 CC(CC(C)=O)C1=CC=C(C)C=C1 HMDB0034177 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.132 NC(CC(O)=O)C1=CC=C(O)C=C1 HMDB0003831 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.133 NC(CC1=CC=C(N)C=C1)C(O)=O HMDB0030397 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.133 NC(CC1=CC=C(O)C=C1)C(N)=O HMDB0013319 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O HMDB0000158 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.133 OC(=O)C(/O)=C/C1=CC=C(O)C=C1 HMDB0006915 [0,1,0,0,0,0|1,0,2]=4 21 B13R1.133 OC(=O)C(=O)CC1=CC=C(O)C=C1 HMDB0000707 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.133 OC(CC1=CC=C(O)C=C1)C(O)=O HMDB0000755 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.164 OC(=O)COC1=C(Cl)C=C(Cl)C=C1 HMDB0041797 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.511 OC(=O)/C=C/C1=CC(O)=C(O)C=C1 HMDB0003501 [0,1,0,0,0,0|1,0,2]=4 25 B13R1.511 OC(=O)/C=C\C1=CC=C(O)C(O)=C1 HMDB0001964 [0,1,0,0,0,0|1,0,2]=4 26 B13R2.155 OC1=CC2=C(C=C1)C=CC(=O)O2 HMDB0029865 [0,0,0,1,0,0|1,0,2]=4 27 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,0,0,0,1,0|2,0,0]=3 28 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [2,0,0,0,0,0|0,0,1]=3 29 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [2,0,0,0,0,0|0,0,0]=2 31 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [2,0,0,0,0,0|0,0,1]=3 36 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|0,0,2]=4 39 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HMDB0004826 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.71 COC1=CC=C(/C=C/C=O)C=C1 HMDB0032611 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0032020 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0041888 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [1,1,0,0,0,0|0,0,0]=2 48 B12R1.43 OC(=O)C(=O)CC1=CC=CC=C1 HMDB0000205 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.107 CC(CC(O)=O)C1=CC=CC=C1 HMDB0001955 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.4 COC1=CC=C(CC(O)=O)C=C1 HMDB0002072 [0,1,0,0,1,0|1,0,0]=3 56 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,1,0,0,1,0|0,0,0]=2 57 B12R1.19 OC(=O)CC1=CC(O)=C(O)C=C1 HMDB0001336 [0,1,0,0,1,0|1,0,0]=3 58 B12R1.20 OC(C(O)=O)C1=CC=C(O)C=C1 HMDB0000822 [0,1,0,0,1,0|1,0,0]=3 59 B14R1.678 CC(CCC(O)=O)C1=CC=C(C)C=C1 HMDB0039643 [0,1,0,0,0,1|2,0,0]=4 60 B14R1.678 OC(=O)CNC(=O)C1=CC=C(O)C=C1 HMDB0013678 [0,1,0,0,0,1|1,0,1]=4 61 B14R1.687 CC(O)=NCCC1=CC(O)=C(O)C=C1 HMDB0041943 [0,1,0,0,0,1|0,0,1]=3 62 B14R1.5 CCC(=O)/C=C/C1=CC=C(OC)C=C1 HMDB0030905 [0,2,0,0,0,0|0,0,2]=4 63 B14R1.5 COC(=O)/C=C/C1=CC=C(OC)C=C1 HMDB0030752 [0,2,0,0,0,0|0,0,2]=4 64 B14R1.686 NC(CC1=CC(Cl)=C(O)C=C1)C(O)=O HMDB0001885 [0,2,0,0,0,0|1,0,0]=3 65 B14R1.686 NC(CC1=CC=C(O)C(Br)=C1)C(O)=O HMDB0005874 [0,2,0,0,0,0|1,0,0]=3 66 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(O)=O HMDB0000609 [0,2,0,0,0,0|1,0,0]=3 67 B14R1.686 N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O HMDB0001229 [0,2,0,0,0,0|1,0,1]=4 68 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O HMDB0000181 [0,2,0,0,0,0|1,0,0]=3 69 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O HMDB0000021 [0,2,0,0,0,0|1,0,0]=3 70 B14R1.686 OC(CC1=CC(O)=C(O)C=C1)C(O)=O HMDB0003503 [0,2,0,0,0,0|1,0,0]=3 71 B14R1.42 COC1=C(O)C=CC(/C=C\C(C)=O)=C1 HMDB0032591 [0,2,0,0,0,0|0,0,2]=4 72 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 HMDB0032590 [0,2,0,0,0,0|0,0,0]=2 73 B14R2.4402 CC1=CC=C(C=C1)C2OC2C(O)=O HMDB0030903 [0,0,0,1,0,1|2,0,0]=4 74 B14R2.8239 CN1CCC2=CC(O)=C(O)C=C2C1 HMDB0001189 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,1,0|1,0,0]=3 76 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,0,0,0,1,0|1,0,0]=3 77 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,1,0|1,0,0]=3 78 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [1,0,0,0,1,0|2,0,0]=4 79 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [1,0,0,0,1,0|1,0,0]=3 80 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,2,0|2,0,0]=4 81 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,2,0|1,0,0]=3 82 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,0,0,0,2,0|1,0,1]=4 83 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,0,0,0,2,0|2,0,0]=4 84 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [0,0,0,0,2,0|2,0,0]=4 85 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,2,0|1,0,0]=3 86 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [0,0,0,0,2,0|2,0,0]=4 87 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [0,0,0,0,2,0|2,0,0]=4 88 B12R1.252 OC(=O)CCCC1=CC=CC=C1 HMDB0000543 [1,0,0,0,0,1|1,0,0]=3 89 B12R1.252 OC(=O)CCCC1=CC=CN=C1 HMDB0001007 [1,0,0,0,0,1|2,0,0]=4