0 B7R0.1 C/C=C\SS/C=C\C HMDB0041390 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 C/C=C\SSCC=C HMDB0041393 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.1 C=CCSSCC=C HMDB0033966 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 CCCC/C=C/C=C HMDB0040966 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 CCCC/C=C/C=O HMDB0033827 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 CCCCCCC=C HMDB0032449 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 CCCCCCC=O HMDB0031475 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 CCCCCCCO HMDB0031479 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 CCCCCCCS HMDB0032304 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 CCCCCCOC HMDB0032407 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 CCCCCOC=O HMDB0040327 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.1 CCCCOCCO HMDB0031327 [0,0,0,0,0,0|2,1,1]=4 13 B7R0.1 CCCCSSCC HMDB0032180 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 CCCSS/C=C\C HMDB0041392 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.1 CCCSSCC=C HMDB0033912 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.1 CCCSSCCC HMDB0031472 [0,0,0,0,0,0|0,0,2]=2 17 B7R0.1 CSSSSCC=C HMDB0036350 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 C=CCSCC=C HMDB0036491 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.6 CCC/C=C\C=O HMDB0040264 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 CCCCCCS HMDB0039806 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CCCCCSS HMDB0031160 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.6 CCCCOC=O HMDB0040575 [1,0,0,0,0,0|2,1,0]=4 30 B6R0.6 CCCS/C=C/C HMDB0040244 [1,0,0,0,0,0|0,0,2]=3 31 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.6 CCCSSCC HMDB0033053 [1,0,0,0,0,0|0,0,1]=2 33 B6R0.6 CCCSSSC HMDB0031871 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.6 CCSSCSC HMDB0033047 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.6 CCSSSCC HMDB0039524 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.6 CSCCCC=O HMDB0037474 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.6 CSCSCSC HMDB0032547 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CSSSCC=C HMDB0034416 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.1 C/C=C/S(=O)SCC=C HMDB0032750 [0,1,0,0,0,0|0,0,3]=4 40 B8R0.1 C/C=C/SS(=O)CC=C HMDB0032751 [0,1,0,0,0,0|0,0,3]=4 41 B8R0.1 C/C=C\S(=O)SCC=C HMDB0032752 [0,1,0,0,0,0|0,0,3]=4 42 B8R0.1 C/C=C\SS(=O)CC=C HMDB0032753 [0,1,0,0,0,0|0,0,3]=4 43 B8R0.1 C=CCSS(=O)CC=C HMDB0033963 [0,1,0,0,0,0|0,0,3]=4 44 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [0,1,0,0,0,0|1,1,0]=3 45 B8R0.1 CCCS(=O)S/C=C\C HMDB0032748 [0,1,0,0,0,0|0,0,3]=4 46 B8R0.1 CCCS(=O)SCC=C HMDB0032741 [0,1,0,0,0,0|0,0,1]=2 47 B8R0.1 CCCSS(=O)/C=C\C HMDB0032749 [0,1,0,0,0,0|0,0,3]=4 48 B8R0.1 CCCSS(=O)CC=C HMDB0039965 [0,1,0,0,0,0|0,0,1]=2 49 B8R0.1 CCCSS(=O)CCC HMDB0034394 [0,1,0,0,0,0|0,0,3]=4 50 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.4 C=CCSSSCC=C HMDB0031154 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.4 CCC/C=C/COC=O HMDB0038271 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.4 CCCCCCCC=C HMDB0031270 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.4 CCCCCCOC=O HMDB0032874 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.4 CCCCSCCCC HMDB0031660 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.4 CCCCSSCCC HMDB0033051 [0,1,0,0,0,0|0,0,2]=3 59 B8R0.4 CCCSSSCCC HMDB0032825 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.4 CSSSSSCC=C HMDB0036351 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.6 CC/C=C/CC(O)C=C HMDB0030966 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.6 CCC(C)SS/C=C/C HMDB0034426 [0,1,0,0,0,0|0,0,2]=3 63 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.6 CSC(C)SSCC=C HMDB0032115 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.2 C=CC1SCC=CS1 HMDB0034901 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.8 CCCC1=CC=CO1 HMDB0040277 [0,0,0,1,0,0|1,1,1]=4 72 B8R1.8 CCCC1=CC=CS1 HMDB0033160 [0,0,0,1,0,0|1,0,1]=3 73 B8R1.8 CCCC1NCCS1 HMDB0040058 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.11 CCC1SCCC1=O HMDB0040238 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.49 C1SCSSCSS1 HMDB0039431 [0,0,0,1,0,0|3,0,0]=4 76 B5R0.2 C=CCCC=O HMDB0032458 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.2 C=CCSC#N HMDB0029755 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.2 CC/C=C/SC HMDB0038892 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.2 CCCCC#N HMDB0040173 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|0,0,2]=4 82 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.2 CCCOC=O HMDB0040253 [2,0,0,0,0,0|1,1,0]=4 84 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|0,0,0]=2 85 B5R0.2 CCSSC=C HMDB0033052 [2,0,0,0,0,0|0,0,0]=2 86 B5R0.2 CCSSCC HMDB0029572 [2,0,0,0,0,0|0,0,1]=3 87 B5R0.2 CCSSSC HMDB0038891 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.2 CSCCC=O HMDB0031857 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.2 CSCCCO HMDB0031716 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.2 CSCCSC HMDB0031708 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.2 CSCSSC HMDB0031875 [2,0,0,0,0,0|1,0,0]=3 92 B5R0.2 CSS/C=C\C HMDB0041391 [2,0,0,0,0,0|0,0,2]=4 93 B5R0.2 CSSCC=C HMDB0041389 [2,0,0,0,0,0|0,0,0]=2 94 B5R0.2 CSSSSC HMDB0041065 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.2 C[Se]SCC=C HMDB0030877 [2,0,0,0,0,0|0,1,0]=3 96 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,1,0,0,0,0|0,1,1]=4 97 B7R0.3 CCC(=O)SCC=C HMDB0037493 [1,1,0,0,0,0|0,0,1]=3 98 B7R0.3 CCCCC(C)C=O HMDB0040191 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.3 CCCSC(S)CC HMDB0040056 [1,1,0,0,0,0|0,0,2]=4 100 B7R0.3 CCSSC(C)SC HMDB0033046 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.7 CCCC(C)CC=O HMDB0032405 [1,1,0,0,0,0|2,0,0]=4 103 B9R0.4 CC(C)CC(=O)OCC=C HMDB0038036 [0,2,0,0,0,0|1,1,0]=4 104 B9R0.5 CCCCCC(=O)CC=C HMDB0035927 [0,2,0,0,0,0|2,0,0]=4 105 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [0,2,0,0,0,0|1,1,0]=4 106 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,2,0,0,0,0|1,1,0]=4 107 B9R0.2 CC(=O)CCCCCC=C HMDB0035926 [0,2,0,0,0,0|2,0,0]=4 108 B9R0.45 C=CCSSSSCC=C HMDB0033202 [0,2,0,0,0,0|0,0,2]=4 109 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [0,2,0,0,0,0|2,0,0]=4 110 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [0,2,0,0,0,0|2,0,0]=4 111 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [0,2,0,0,0,0|2,0,0]=4 112 B9R0.45 CCCCSSCCCC HMDB0029569 [0,2,0,0,0,0|0,0,2]=4 113 B9R0.46 CCC(=O)CCCCC=C HMDB0034758 [0,2,0,0,0,0|2,0,0]=4 114 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.47 CCCSCC(N)C(O)=O HMDB0034324 [0,2,0,0,0,0|2,0,0]=4 116 B9R0.50 CCC(SC)SS/C=C/C HMDB0034440 [0,2,0,0,0,0|0,0,2]=4 117 B9R0.50 CCCSSC(CC)SC HMDB0033044 [0,2,0,0,0,0|0,0,2]=4 118 B7R1.1 CCC1=CC=CS1 HMDB0035384 [1,0,0,1,0,0|0,0,2]=4 119 B7R1.1 CCC1=CSC=C1 HMDB0035385 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.3 CC1SCCSS1 HMDB0037290 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.4 CC1SCCC1=O HMDB0038556 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.24 C1SCSSCS1 HMDB0031719 [1,0,0,1,0,0|2,0,0]=4