0 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [1,0,0,0,0,0|1,0,1]=3 2 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.6 COC(=O)CCCSC HMDB0037619 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [1,0,0,0,0,0|0,0,2]=3 11 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [1,0,0,0,0,0|0,0,2]=3 13 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [1,0,0,0,0,0|0,1,2]=4 14 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,1,0,0,0,0|0,0,0]=1 22 B10R0.60 CCC(=O)OCC[N+](C)(C)C HMDB0013305 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.65 CCC(C)(O)CCCC(C)C HMDB0035246 [0,1,0,0,0,0|1,0,2]=4 24 B10R0.98 CC(C)C(=O)OCC=C(C)C HMDB0032491 [0,1,0,0,0,0|0,0,2]=3 25 B10R0.98 CC(C)C(=O)SCC=C(C)C HMDB0031699 [0,1,0,0,0,0|0,1,2]=4 26 B10R1.13 CC(C)C1CCC(=C)C=C1 HMDB0036081 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.54 CC(C)CC1OCC(C)O1 HMDB0032203 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.54 OC(=O)CC1CCC(=O)O1 HMDB0029171 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.194 CC(C)C1CCC(C)C1C HMDB0035141 [0,0,0,1,0,0|2,0,1]=4 31 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,0,0,0,1,0|1,0,0]=2 32 B7R0.1 CC/C=C\CCCO HMDB0031405 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.1 CCCCCCCC HMDB0001485 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.1 CCCCOCCO HMDB0031327 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.1 CCCCSSCC HMDB0032180 [2,0,0,0,0,0|1,1,0]=4 36 B7R0.3 CCC(=O)OCC=C HMDB0029487 [2,0,0,0,0,0|0,0,2]=4 37 B7R0.3 CCCCC(=O)CC HMDB0031482 [2,0,0,0,0,0|0,0,0]=2 38 B7R0.3 CCCCC(=O)OC HMDB0031207 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.3 CCCCC(C)CC HMDB0031583 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.3 CCCOC(=O)CC HMDB0030059 [2,0,0,0,0,0|0,0,0]=2 41 B7R0.3 COC(=O)CCSC HMDB0034377 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 CC(C)=CCOC=O HMDB0032490 [2,0,0,0,0,0|0,0,2]=4 43 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.4 CCCCCC(C)O HMDB0033908 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.4 CCCCCC(C)S HMDB0032303 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 CCCCNC(C)=O HMDB0031651 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.4 CCCCOC(C)=O HMDB0031325 [2,0,0,0,0,0|0,0,0]=2 51 B7R0.4 CCCNCC(C)C HMDB0031244 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.4 CSSCCC(C)C HMDB0032408 [2,0,0,0,0,0|1,1,0]=4 53 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [1,1,0,0,0,0|1,0,0]=3 57 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [1,1,0,0,0,0|0,0,0]=2 58 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [1,1,0,0,0,0|0,0,0]=2 64 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [1,1,0,0,0,0|0,0,2]=4 66 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.53 CC(C)CC(O)CC(O)=O HMDB0002207 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.56 CC(=O)OCC[N+](C)(C)C HMDB0000895 [1,1,0,0,0,0|1,0,0]=3 69 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,1,0,0,1,0|1,0,0]=3 70 B11R0.145 CCC(C)C(=O)OCCC(C)C HMDB0040157 [0,1,0,0,0,1|1,0,1]=4 71 B11R0.6 CC(C)CCOC(=O)C=C(C)C HMDB0040530 [0,2,0,0,0,0|0,0,1]=3 72 B11R0.6 CC(C)CCOC(=O)CC(C)C HMDB0030029 [0,2,0,0,0,0|0,0,0]=2 73 B11R0.147 CCCCC(=O)OCCC(C)C HMDB0040529 [0,2,0,0,0,0|0,0,0]=2 74 B11R0.180 CCCC(=O)OCC[N+](C)(C)C HMDB0013223 [0,2,0,0,0,0|1,0,0]=3 75 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [1,0,0,1,0,0|1,0,0]=3 77 B11R1.166 CC(C)C1CC=C(C)CC1O HMDB0037016 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.166 CC(C)C1CCC(C)=CC1O HMDB0035838 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.166 CC(C)[C@@H]1CCC(C)=C[C@H]1O HMDB0035861 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.22 CC(CO)C1CCC(C)=CC1 HMDB0037007 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.19 CC1=CCC(CC1)C(C)(C)S HMDB0035703 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O HMDB0036086 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.3 CC(C)C1CCC(C=O)=CC1 HMDB0035600 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.220 CC(C)C1(O)CCC(C)=CC1 HMDB0035833 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.220 CC(C)[C@]1(O)CCC(C)=CC1 HMDB0035823 [0,1,0,1,0,0|2,0,0]=4 86 B11R2.39 CC1=CCC2C(C1)C2(C)C HMDB0035619 [0,0,0,2,0,0|2,0,0]=4 87 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C HMDB0034697 [0,0,0,2,0,0|2,0,0]=4 88 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C HMDB0035087 [0,0,0,2,0,0|2,0,0]=4 89 B11R2.533 CC1(C)C2CC1C(=C)CC2 HMDB0036560 [0,0,0,2,0,0|2,0,0]=4 90 B11R2.533 CC1(C)[C@@H]2C[C@H]1C(=C)CC2 HMDB0036559 [0,0,0,2,0,0|2,0,0]=4 91 B11R2.533 CC1=CCC2CC1C2(C)C HMDB0006525 [0,0,0,2,0,0|2,0,0]=4 92 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C HMDB0035658 [0,0,0,2,0,0|2,0,0]=4 93 B11R2.746 CC(C)C12CC1C(C)=CC2 HMDB0036116 [0,0,0,2,0,0|2,0,0]=4 94 B11R2.746 CC(C)[C@]12C[C@H]1C(=C)CC2 HMDB0034928 [0,0,0,2,0,0|2,0,0]=4 95 B11R2.746 CC(C)[C@]12C[C@H]1C(=C)CC2 HMDB0036076 [0,0,0,2,0,0|2,0,0]=4 96 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,1,0|0,0,2]=4 97 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [1,0,0,0,1,0|0,0,2]=4 98 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,1,0|0,0,0]=2 99 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,1,0|1,0,0]=3 100 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,0,0,0,1,0|0,0,0]=2 101 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,0,0,0,2,0|0,0,0]=2 102 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,0,0,0,2,0|0,0,0]=2 103 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,0,0,0,2,0|1,0,0]=3 104 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,0,0,0,2,0|2,0,0]=4 105 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,0,0,0,2,0|2,0,0]=4