0 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,0,1,0,0,0|1,0,2]=4 1 B7R0.1 CCCCCCC=C HMDB0032449 [0,0,1,0,0,0|2,0,0]=3 2 B7R0.1 CCCCCCC=O HMDB0031475 [0,0,1,0,0,0|1,0,0]=2 3 B7R0.1 CCCCCCCC HMDB0001485 [0,0,1,0,0,0|2,0,1]=4 4 B7R0.1 CCCCCCCO HMDB0031479 [0,0,1,0,0,0|1,0,2]=4 5 B7R0.1 CCCCCCCS HMDB0032304 [0,0,1,0,0,0|1,1,1]=4 6 B7R0.1 CCCCCCOC HMDB0032407 [0,0,1,0,0,0|3,0,0]=4 7 B7R0.1 CCCCCSSC HMDB0031161 [0,0,1,0,0,0|3,0,0]=4 8 B7R0.1 SCCCCCCS HMDB0031709 [0,0,1,0,0,0|1,1,1]=4 9 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,0,1,0,0,0|1,0,2]=4 10 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,0,1,0,0,0|1,0,0]=2 11 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,0,1,0,0,0|1,0,0]=2 12 B7R0.3 CCCCC(C)CC HMDB0031583 [0,0,1,0,0,0|2,0,1]=4 13 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,0,1,0,0,0|1,0,0]=2 14 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,0,1,0,0,0|1,0,2]=4 15 B7R0.3 COC(=O)CCSC HMDB0034377 [0,0,1,0,0,0|2,0,0]=3 16 B7R0.4 CC(=O)NCCC=O HMDB0012880 [0,0,1,0,0,0|1,0,1]=3 17 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,0,1,0,0,0|1,0,1]=3 18 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,0,1,0,0,0|1,0,2]=4 19 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,0,1,0,0,0|1,0,0]=2 20 B7R0.4 CCCCCC(C)O HMDB0033908 [0,0,1,0,0,0|1,0,2]=4 21 B7R0.4 CCCCCC(C)S HMDB0032303 [0,0,1,0,0,0|1,1,1]=4 22 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,0,1,0,0,0|1,0,0]=2 23 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,0,1,0,0,0|0,0,0]=1 24 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,0,1,0,0,0|1,0,0]=2 25 B7R0.4 NCCCCC(N)=O HMDB0012176 [0,0,1,0,0,0|1,0,0]=2 26 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,0,1,0,0,0|2,0,0]=3 27 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,0,1,0,0,0|1,0,1]=3 29 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,0,1,0,0,0|1,0,0]=2 30 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,0,1,0,0,0|1,0,0]=2 31 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,0,1,0,0,0|1,0,2]=4 32 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,0,1,0,0,0|2,0,0]=3 33 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,0,1,0|1,0,1]=3 34 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,0,1,0|1,0,1]=3 35 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,0,0,0,1,0|0,0,0]=1 36 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,0,0,0,1,0|0,0,0]=1 37 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,1,0,0,0|0,0,2]=4 39 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,1,0,0,0|2,0,0]=4 40 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,1,0,0,0|0,0,2]=4 42 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,1,0,0,0|0,0,2]=4 43 B6R0.6 CCCCCC=O HMDB0005994 [1,0,1,0,0,0|0,0,0]=2 44 B6R0.6 CCCCCCC HMDB0031447 [1,0,1,0,0,0|1,0,1]=4 45 B6R0.6 CCCCCCN HMDB0032323 [1,0,1,0,0,0|0,0,1]=3 46 B6R0.6 CCCCCCO HMDB0012971 [1,0,1,0,0,0|0,0,2]=4 47 B6R0.6 CCCCCSS HMDB0031160 [1,0,1,0,0,0|1,1,0]=4 48 B6R0.6 CCCCON=O HMDB0031329 [1,0,1,0,0,0|1,0,1]=4 49 B6R0.6 CCCSCCC HMDB0031431 [1,0,1,0,0,0|1,0,1]=4 50 B6R0.6 CNCCCCN HMDB0003661 [1,0,1,0,0,0|1,0,1]=4 51 B6R0.6 NCCCCC=O HMDB0012815 [1,0,1,0,0,0|0,0,0]=2 52 B6R0.6 NCCCCCN HMDB0002322 [1,0,1,0,0,0|1,0,0]=3 53 B6R0.6 NCCNCCN HMDB0031413 [1,0,1,0,0,0|2,0,0]=4 54 B6R0.6 O=CCCCC=O HMDB0029599 [1,0,1,0,0,0|1,0,1]=4 55 B6R0.1 CCCC(=O)CC HMDB0000753 [1,0,1,0,0,0|0,0,0]=2 56 B6R0.1 CCCC(=O)OC HMDB0033890 [1,0,1,0,0,0|1,0,0]=3 57 B6R0.1 CCCC(=O)SC HMDB0031191 [1,0,1,0,0,0|1,0,0]=3 58 B6R0.1 CCCC(O)CC HMDB0031493 [1,0,1,0,0,0|0,0,2]=4 59 B6R0.1 CCOC(=O)CC HMDB0030058 [1,0,1,0,0,0|1,0,0]=3 60 B6R0.1 COC(=O)CSC HMDB0035646 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.4 CCCCC(C)=O HMDB0005842 [1,0,1,0,0,0|0,0,0]=2 62 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,1,0,0,0|1,0,0]=3 63 B6R0.4 CCNCC(O)=O HMDB0041945 [1,0,1,0,0,0|2,0,0]=4 64 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.4 CSCCC(C)=O HMDB0031316 [1,0,1,0,0,0|1,0,0]=3 66 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.4 NCCCC(O)=O HMDB0000112 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.4 OCCCC(O)=O HMDB0000710 [1,0,1,0,0,0|2,0,0]=4 69 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [0,1,1,0,0,0|2,0,0]=4 70 B8R0.4 C(=O)C=CCCCCC HMDB0013809 [0,1,1,0,0,0|1,0,0]=3 71 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [0,1,1,0,0,0|1,0,0]=3 72 B8R0.4 CCCCCCCC=C HMDB0031270 [0,1,1,0,0,0|2,0,0]=4 73 B8R0.4 CCCCCCCC=O HMDB0001140 [0,1,1,0,0,0|1,0,0]=3 74 B8R0.4 NCCCNCCCN HMDB0011634 [0,1,1,0,0,0|1,0,1]=4 75 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,1,1,0,0,0|2,0,0]=4 77 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [0,1,1,0,0,0|1,0,1]=4 78 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,1,1,0,0,0|1,0,0]=3 79 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,1,1,0,0,0|2,0,0]=4 80 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,1,1,0,0,0|1,0,1]=4 81 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,1,1,0,0,0|1,0,0]=3 82 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,1,1,0,0,0|1,0,0]=3 83 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,1,1,0,0,0|2,0,0]=4 84 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,1,1,0,0,0|2,0,0]=4 85 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,1,1,0,0,0|2,0,0]=4 86 B8R0.7 NCCCCNC(N)=N HMDB0001432 [0,1,1,0,0,0|2,0,0]=4 87 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,1,1,0,0,0|1,0,1]=4 88 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,1,1,0,0,0|1,0,0]=3 89 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,1,1,0,0,0|1,0,0]=3 90 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,1,1,0,0,0|1,0,0]=3 91 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,1,1,0,0,0|1,0,0]=3 92 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,1,1,0,0,0|1,0,0]=3 93 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,1,1,0,0,0|1,0,0]=3 94 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,1,1,0,0,0|2,0,0]=4 95 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [0,1,1,0,0,0|1,0,0]=3 96 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,1,1,0,0,0|1,0,1]=4 97 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,1,1,0,0,0|1,0,0]=3 98 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,1,1,0,0,0|2,0,0]=4 99 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,1,1,0,0,0|1,0,1]=4 100 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,1,1,0,0,0|1,0,0]=3 101 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,1,1,0,0,0|2,0,0]=4 102 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,1,1,0,0,0|1,0,0]=3 103 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,1,1,0,0,0|1,0,1]=4 104 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,1,1,0,0,0|1,0,1]=4 105 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,1,1,0,0,0|1,0,0]=3 106 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,1,1,0,0,0|1,0,0]=3 107 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,1,1,0,0,0|2,0,0]=4 108 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,1,1,0,0,0|1,0,0]=3 109 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,1,1,0,0,0|1,0,0]=3 110 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,0,1,0|1,0,0]=3 111 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,0,1,0|0,0,0]=2 112 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,0,1,0|0,0,2]=4 113 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,1,0,0,1,0|1,0,0]=3 114 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,1,0,0,1,0|0,0,2]=4 115 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,1,0,0,1,0|0,1,1]=4 116 B8R1.4 O=C1CCNC(=O)N1 HMDB0000076 [0,1,0,0,1,0|1,0,1]=4 117 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,0,1,0|0,0,0]=2 118 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,1,0,0,1,0|0,0,0]=2 119 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,0,1,0|0,0,1]=3 120 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,0,1,1,0,0|1,0,0]=3 121 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,0,1,1,0,0|2,0,0]=4 122 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,0,1,1,0,0|2,0,0]=4 123 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [0,0,1,1,0,0|0,0,2]=4 124 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,0,1,1,0,0|2,0,0]=4 125 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,0,1,1,0,0|2,0,0]=4 126 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,0,1,0|0,0,1]=3 127 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,0,1,0|1,0,0]=3 128 B6R1.1 C1CSCCS1 HMDB0031474 [1,0,0,0,1,0|2,0,0]=4 129 B6R1.1 C1CSCSC1 HMDB0031473 [1,0,0,0,1,0|2,0,0]=4 130 B6R1.2 CC1CCCC1 HMDB0031542 [0,0,0,0,2,0|1,0,1]=4 131 B6R1.2 O=C1CCCC1 HMDB0031407 [0,0,0,0,2,0|0,0,0]=2 132 B6R1.2 O=C1CCCN1 HMDB0002039 [0,0,0,0,2,0|0,0,0]=2 133 B6R1.2 O=C1CCCO1 HMDB0000549 [0,0,0,0,2,0|1,0,0]=3 134 B6R1.2 O=C1CCCS1 HMDB0031253 [0,0,0,0,2,0|1,0,0]=3 135 B6R1.2 O=C1CCOC1 HMDB0002523 [0,0,0,0,2,0|1,0,0]=3 136 B6R1.2 O=C1CCSC1 HMDB0031242 [0,0,0,0,2,0|1,0,0]=3 137 B6R1.2 O=C1CN=CN1 HMDB0004363 [0,0,0,0,2,0|1,0,1]=4