0 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.3 CCCCC(C)CC HMDB0031583 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,0,0,0,0,0|0,0,0]=1 8 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.7 CCCC(=O)CCC HMDB0004814 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,0,0,0,0,0|0,0,0]=1 13 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.7 CCOC(C)OCC HMDB0031644 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.8 C/C=C(/C)C(=O)OCC=C HMDB0037625 [0,1,0,0,0,0|0,0,3]=4 20 B9R0.8 CCC(C)C(=O)SCSC HMDB0031714 [0,1,0,0,0,0|0,1,0]=2 21 B9R0.19 CCOC(=O)C(C)(O)CC HMDB0032269 [0,1,0,0,0,0|0,0,0]=1 22 B9R0.23 C/C=C(/C)C(=O)OC(C)C HMDB0037624 [0,1,0,0,0,0|0,0,2]=3 23 B9R0.23 CCC(C)C(=O)OC(C)C HMDB0039217 [0,1,0,0,0,0|0,0,0]=1 24 B9R0.27 CCC(C)C(=O)C(=O)OC HMDB0037114 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,1,0,0,0,0|0,0,0]=1 26 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,1,0,0,0,0|0,0,1]=2 27 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,1,0,0,0,0|0,0,1]=2 28 B9R0.35 CCOC(=O)C(C)C=C=C HMDB0037196 [0,1,0,0,0,0|0,0,2]=3 29 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [0,1,0,0,0,0|0,0,1]=2 30 B9R0.37 CCOC(=O)C(CC)CC HMDB0040298 [0,1,0,0,0,0|0,0,0]=1 31 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,0,0,1,0,0|2,0,1]=4 35 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [0,0,0,0,0,1|0,0,0]=1 36 B6R0.1 CCCC(=O)CC HMDB0000753 [2,0,0,0,0,0|0,0,0]=2 37 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,0]=2 38 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|0,1,0]=3 39 B6R0.1 CCCC(O)CC HMDB0031493 [2,0,0,0,0,0|0,0,2]=4 40 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|0,0,0]=2 41 B6R0.1 CCOC(C)CC HMDB0031326 [2,0,0,0,0,0|0,0,0]=2 42 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [2,0,0,0,0,0|0,0,2]=4 48 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [2,0,0,0,0,0|0,0,2]=4 49 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.3 CC(CN)C(O)=O HMDB0003911 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.3 CCC(=O)C(C)C HMDB0005846 [2,0,0,0,0,0|0,0,0]=2 54 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.3 CCC(C)C(O)=O HMDB0002176 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.3 CCC(C)C(O)S HMDB0032373 [2,0,0,0,0,0|0,1,1]=4 57 B6R0.3 CCC(O)C(O)=O HMDB0000008 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [2,0,0,0,0,0|0,0,0]=2 60 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.3 COC(=O)C(C)=C HMDB0032385 [2,0,0,0,0,0|0,0,2]=4 62 B6R0.3 COC(=O)C(C)C HMDB0031249 [2,0,0,0,0,0|0,0,0]=2 63 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.3 OC(CS)C(O)=O HMDB0002127 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.3 OCC(O)C(O)=O HMDB0031818 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [2,0,0,0,0,0|2,0,0]=4 78 B8R0.11 CCCCC(CC)CO HMDB0031231 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [1,1,0,0,0,0|0,0,0]=2 80 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [1,1,0,0,0,0|0,0,1]=3 81 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [1,1,0,0,0,0|0,0,1]=3 82 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [1,1,0,0,0,0|0,0,0]=2 83 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [1,1,0,0,0,0|0,0,0]=2 84 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.30 CCOP(O)(=O)OCC HMDB0012209 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.20 CCC(SC)C(=O)OC HMDB0041306 [1,1,0,0,0,0|0,0,0]=2 87 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,1,0,0,0,1|1,0,1]=4 88 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,1,0,0,0,1|1,0,0]=3 89 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,1,0,0,0,1|1,0,0]=3 90 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,1,0,0,0,1|1,0,1]=4 91 B10R0.26 CCCC(=O)OC(C)C(C)=O HMDB0036230 [0,1,0,0,0,1|1,0,1]=4 92 B10R0.35 CCOC(=O)C(O)C(C)CC HMDB0032270 [0,1,0,0,0,1|0,0,0]=2 93 B10R0.21 CCC(CC)C(=O)OCC=C HMDB0036208 [0,2,0,0,0,0|0,0,1]=3 94 B10R0.57 C/C=C(/C)C(=O)OCC(C)C HMDB0037629 [0,2,0,0,0,0|0,0,2]=4 95 B10R0.57 CCC(C)C(=O)NCC(O)=O HMDB0000339 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,2,0,0,0,0|0,0,0]=2 97 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|0,0,0]=2 99 B10R1.34 OC[C@H]1OC(=O)[C@H](O)[C@@H]1O HMDB0001900 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.119 O[C@@H]1COC(=O)[C@H](O)[C@H]1O HMDB0011676 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.191 CC1C(C)C(=O)C(O)=C1C HMDB0039652 [0,1,0,1,0,0|1,0,1]=4