0 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,0,0,0,0,0|0,0,4]=4 5 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,0,0,0,0|0,0,1]=2 7 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,0,0,0,0|0,0,3]=4 8 B6R0.4 CCNCC(O)=O HMDB0041945 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,0,0,0,0,0|0,0,2]=3 12 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,0,0,0,0|0,0,3]=4 15 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,0,0,0,0|0,0,3]=4 17 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,0,0,0,0|0,0,3]=4 18 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,1,0,0,0,0|0,0,3]=4 21 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,1,0,0,0,0|0,0,3]=4 32 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.9 OC(=O)CNC(=O)C=C HMDB0001843 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,1,0,0,0,0|1,0,2]=4 45 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,1,0,0,0,0|1,0,1]=3 46 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [0,0,0,1,0,0|2,1,0]=4 47 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [0,0,0,1,0,0|1,1,1]=4 49 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [0,0,0,1,0,0|1,0,0]=2 51 B8R1.4 NC1=CC=NC(=O)N1 HMDB0000630 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.4 O=C1NC=CC(=O)N1 HMDB0000300 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [0,0,0,1,0,0|1,0,0]=2 57 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [0,0,0,1,0,0|1,0,1]=3 58 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [0,0,0,1,0,0|1,0,2]=4 59 B5R0.1 C/C=C/C(C)=O HMDB0001184 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 C/C=C/C(O)=O HMDB0010720 [2,0,0,0,0,0|0,0,0]=2 61 B5R0.1 C/C=C\C(O)=O HMDB0034439 [2,0,0,0,0,0|0,0,0]=2 62 B5R0.1 CC(=O)CC=C HMDB0031606 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 CC(=O)OC=C HMDB0031209 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 CNCC(O)=O HMDB0000271 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.1 COCC(O)=O HMDB0041929 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.1 OC(=O)CC=O HMDB0011111 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.2 C=C/C=C\C=O HMDB0031597 [2,0,0,0,0,0|0,0,0]=2 70 B5R0.2 C=CCCC=O HMDB0032458 [2,0,0,0,0,0|0,0,2]=4 71 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|0,0,1]=3 72 B5R0.2 CC/C=C\CO HMDB0031604 [2,0,0,0,0,0|0,0,2]=4 73 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,1,0,0,0,0|0,0,2]=4 75 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,1,0,0,0,0|0,0,1]=3 76 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,1,0,0,0,0|0,0,2]=4 77 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,1,0,0,0,0|0,0,1]=3 78 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,1,0,0,0,0|0,0,2]=4 80 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [1,1,0,0,0,0|0,0,1]=3 83 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [1,1,0,0,0,0|0,0,1]=3 86 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [1,1,0,0,0,0|0,0,1]=3 87 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,1,0,0,0,0|0,0,2]=4 88 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [1,1,0,0,0,0|0,0,1]=3 89 B9R0.53 C/C(CC(O)=O)=C\C(O)=O HMDB0000522 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,2,0,0,0,0|0,0,2]=4 91 B9R0.5 CCOC(=O)/C=C/C=C/C HMDB0040463 [0,2,0,0,0,0|0,0,0]=2 92 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,2,0,0,0,0|0,0,2]=4 93 B9R0.24 COC(=O)/C=C\C(=O)OC HMDB0031257 [0,2,0,0,0,0|1,0,0]=3 94 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,2,0,0,0,0|0,0,2]=4 95 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [0,2,0,0,0,0|0,0,2]=4 96 B9R0.47 N/C(=C/C=C\C=O)C(O)=O HMDB0001280 [0,2,0,0,0,0|0,0,1]=3 97 B9R0.2 C/C=C/C=C/COC(C)=O HMDB0032311 [0,2,0,0,0,0|1,0,0]=3 98 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,2,0,0,0,0|0,0,2]=4 99 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,2,0,0,0,0|0,0,2]=4 100 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,2,0,0,0,0|0,0,2]=4 101 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,2,0,0,0,0|0,0,2]=4 102 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,2,0,0,0,0|0,0,1]=3 103 B9R0.55 OC(=O)/C=C/C=C/C(O)=O HMDB0002349 [0,2,0,0,0,0|0,0,1]=3 104 B9R0.55 OC(=O)/C=C\C=C/C(O)=O HMDB0006331 [0,2,0,0,0,0|0,0,1]=3 105 B9R0.55 OC(=O)C/C=C/CC(O)=O HMDB0000393 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.55 OC(=O)CC/C=C/C(O)=O HMDB0013311 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.7 C/C(=C\CC(O)=O)C(O)=O HMDB0002266 [0,2,0,0,0,0|1,0,1]=4 108 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,1,0,0|0,0,1]=3 109 B7R1.3 CC1=CC=CCC1 HMDB0031532 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 OC1=CC=CC=N1 HMDB0013751 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [1,0,0,1,0,0|0,1,1]=4 113 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,1,0,0|0,0,2]=4 116 B9R1.13 OC(=O)CC1=CN=CN1 HMDB0002024 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.34 OC1=CC(O)=CC(O)=C1 HMDB0013675 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.3 CC1=C(C)C(O)=CC=C1 HMDB0032148 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.3 CC1=C(O)C(=O)C=CO1 HMDB0030776 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.3 CC1=CC=CC(C)=C1S HMDB0032019 [0,1,0,1,0,0|1,1,0]=4 127 B9R1.3 OC1=C(Br)C=CC=C1Br HMDB0032080 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.11 CCC(=O)C1=CC=CN1 HMDB0032492 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.11 COC(=O)C1=CC=CO1 HMDB0029750 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.11 COC(=O)C1=CC=CS1 HMDB0029719 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [0,1,0,1,0,0|0,0,1]=3 136 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [0,1,0,1,0,0|0,0,1]=3 137 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.69 CC1OC(=O)C=CC1O HMDB0031303 [0,1,0,1,0,0|0,0,2]=4 142 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,1,0,1,0,0|2,0,0]=4