0 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 CCCCCCC=C HMDB0032449 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 CCCCCCC=O HMDB0031475 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 CCCCCCCC HMDB0001485 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 CCCCCCCO HMDB0031479 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.1 CCCCCCCS HMDB0032304 [0,0,0,0,0,0|1,1,0]=2 8 B7R0.1 CCCCCCOC HMDB0032407 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 CCCCCSSC HMDB0031161 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.1 CCCCOCCO HMDB0031327 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.1 CCCCSSCC HMDB0032180 [0,0,0,0,0,0|2,1,0]=3 12 B7R0.1 CCCSSCCC HMDB0031472 [0,0,0,0,0,0|2,1,0]=3 13 B7R0.1 SCCCCCCS HMDB0031709 [0,0,0,0,0,0|2,1,0]=3 14 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.6 CCCCCC=O HMDB0005994 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|0,0,0]=1 21 B6R0.6 CCCCCSS HMDB0031160 [1,0,0,0,0,0|1,1,0]=3 22 B6R0.6 CCCCN=C=S HMDB0031328 [1,0,0,0,0,0|1,1,1]=4 23 B6R0.6 CCCCON=O HMDB0031329 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|1,1,0]=3 25 B6R0.6 CCCSSSC HMDB0031871 [1,0,0,0,0,0|2,1,0]=4 26 B6R0.6 CNCCCCN HMDB0003661 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.6 NCCCCC=O HMDB0012815 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.6 NCCCCCN HMDB0002322 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.6 NCCNCCN HMDB0031413 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 OCCSCCO HMDB0042033 [1,0,0,0,0,0|1,1,0]=3 31 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.4 CC/C=C/C/C=C\CO HMDB0040146 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.4 CCCCCCCC=C HMDB0031270 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.4 CCCCCCCC=O HMDB0001140 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.4 CCCCCCCCC HMDB0029595 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.4 CCCCCCCCO HMDB0001183 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.4 CCCCSCCCC HMDB0031660 [0,1,0,0,0,0|1,1,0]=3 45 B8R0.4 NCCCNCCCN HMDB0011634 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,1,0,0,0,0|1,0,2]=4 53 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,1,0,0,0,0|1,0,2]=4 54 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,1,0,0,0,0|0,0,1]=2 59 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,0,0,1,0,0|1,0,2]=4 61 B5R0.2 CC/C=C\CO HMDB0031604 [2,0,0,0,0,0|0,0,2]=4 62 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,0,2]=4 63 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|0,0,0]=2 64 B5R0.2 CCCCCO HMDB0013036 [2,0,0,0,0,0|0,0,0]=2 65 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|0,1,0]=3 66 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|1,1,0]=4 67 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|0,0,0]=2 68 B5R0.2 CCSSCC HMDB0029572 [2,0,0,0,0,0|1,1,0]=4 69 B5R0.2 CSCCCO HMDB0031716 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.2 CSCCSC HMDB0031708 [2,0,0,0,0,0|1,1,0]=4 71 B5R0.2 NCCCCN HMDB0001414 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.3 CCCCC(C)CC HMDB0031583 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.4 CC(O)CCCCO HMDB0031490 [1,1,0,0,0,0|0,0,0]=2 77 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.4 CCCCCC(C)O HMDB0033908 [1,1,0,0,0,0|0,0,0]=2 80 B7R0.4 CCCCCC(C)S HMDB0032303 [1,1,0,0,0,0|0,1,0]=3 81 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|0,0,1]=3 82 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,1,0,0,0,0|0,0,1]=3 84 B7R0.4 CCCNCC(C)C HMDB0031244 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.4 CSSCCC(C)C HMDB0032408 [1,1,0,0,0,0|1,1,0]=4 86 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.7 CCCC(=O)CCC HMDB0004814 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,1,0,0,0,0|0,0,1]=3 89 B7R0.7 CCCC(C)CC=O HMDB0032405 [1,1,0,0,0,0|0,0,2]=4 90 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.7 CCOC(C)OCC HMDB0031644 [1,1,0,0,0,0|1,0,0]=3 92 B7R0.7 CCSC(C)CCO HMDB0032277 [1,1,0,0,0,0|1,0,0]=3 93 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,2,0,0,0,0|1,0,1]=4 94 B9R0.5 CC/C=C\CC(O)CCO HMDB0030368 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,2,0,0,0,0|1,0,0]=3 97 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,2,0,0,0,0|1,0,0]=3 98 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,2,0,0,0,0|1,0,0]=3 99 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,2,0,0,0,0|1,0,0]=3 101 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [0,2,0,0,0,0|1,0,0]=3 102 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,2,0,0,0,0|1,0,1]=4 104 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,2,0,0,0,0|1,0,1]=4 105 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,2,0,0,0,0|1,0,0]=3 106 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,2,0,0,0,0|1,0,0]=3 107 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,2,0,0,0,0|1,0,0]=3 108 B9R0.45 CC/C=C\C/C=C\CCO HMDB0030957 [0,2,0,0,0,0|1,0,1]=4 109 B9R0.45 CC/C=C\CC/C=C\CO HMDB0031262 [0,2,0,0,0,0|1,0,1]=4 110 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [0,2,0,0,0,0|1,0,0]=3 111 B9R0.45 CCCC/C=C/C=C/CO HMDB0034845 [0,2,0,0,0,0|1,0,1]=4 112 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [0,2,0,0,0,0|1,0,1]=4 113 B9R0.45 CCCC/C=C\C=C/CO HMDB0038400 [0,2,0,0,0,0|1,0,1]=4 114 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [0,2,0,0,0,0|1,0,0]=3 115 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [0,2,0,0,0,0|1,0,0]=3 116 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [0,2,0,0,0,0|1,0,0]=3 117 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [0,2,0,0,0,0|1,0,0]=3 118 B9R0.45 CCCCCCCCCC HMDB0031450 [0,2,0,0,0,0|2,0,0]=4 119 B9R0.45 CCCCCCCCCO HMDB0031265 [0,2,0,0,0,0|1,0,0]=3 120 B9R0.45 CCCCSSCCCC HMDB0029569 [0,2,0,0,0,0|1,1,0]=4 121 B9R0.45 CSCCCCCCC#N HMDB0031890 [0,2,0,0,0,0|2,0,0]=4 122 B9R0.45 NCCCCNCCCN HMDB0001257 [0,2,0,0,0,0|2,0,0]=4 123 B9R0.45 NCCNCCNCCN HMDB0032466 [0,2,0,0,0,0|2,0,0]=4 124 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,2,0,0,0,0|2,0,0]=4 125 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,2,0,0,0,0|1,0,1]=4 126 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,2,0,0,0,0|1,0,1]=4 127 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,2,0,0,0,0|1,0,0]=3 129 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,2,0,0,0,0|1,0,1]=4 130 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [0,2,0,0,0,0|1,0,1]=4 131 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [0,2,0,0,0,0|1,0,1]=4 132 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,2,0,0,0,0|1,0,1]=4 133 B7R1.3 CC1CCCCN1 HMDB0032416 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.3 NC1CCCCC1 HMDB0031404 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.3 O=C1CCCCC1 HMDB0003315 [1,0,0,1,0,0|0,0,2]=4 136 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.22 OC[C@@H]1O[C@H](O)C[C@H]1O HMDB0003224 [0,1,0,1,0,0|1,0,0]=3 138 B9R1.21 CCC1CCC(CC)O1 HMDB0029574 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.132 OC[C@@H]1OC[C@@H](O)[C@@H]1O HMDB0001292 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [0,1,0,1,0,0|1,0,1]=4 142 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [0,1,0,1,0,0|1,0,1]=4