0 B7R0.5 CC(=O)C(/C)=C\C=O HMDB0033569 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.5 CCCC(C)C(C)C HMDB0037617 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,0,0,0,0,0|1,1,1]=3 8 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [1,0,0,0,0,0|0,0,3]=4 15 B6R0.1 CCC(=O)CSC HMDB0037193 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.1 CCCC(=O)OC HMDB0033890 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCCC(=O)SC HMDB0031191 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.1 CCCC(C)C=O HMDB0031578 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.1 CCCC(O)C=C HMDB0031503 [1,0,0,0,0,0|0,0,3]=4 20 B6R0.1 CCCC(O)CC HMDB0031493 [1,0,0,0,0,0|0,0,3]=4 21 B6R0.1 CCOC(=O)C=C HMDB0033978 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.1 CCOC(=O)CC HMDB0030058 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.1 COC(=O)CSC HMDB0035646 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,0,0,0,0,0|0,0,0]=1 29 B6R0.3 CCC(=O)C(C)S HMDB0035171 [1,0,0,0,0,0|0,1,1]=3 30 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.3 CCC(O)C(C)=O HMDB0031516 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.3 CCC(S)C(C)=O HMDB0034896 [1,0,0,0,0,0|0,1,1]=3 33 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.3 COC(=O)C(C)=C HMDB0032385 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 COC(=O)C(C)C HMDB0031249 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 CSC(C)C(C)=O HMDB0041558 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CC(=O)OCCN HMDB0038394 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 CCCOC(C)=O HMDB0034237 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.4 CCCSC(C)=O HMDB0033856 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CSCCC(C)=O HMDB0031316 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.2 CCC(C)C(N)C(O)=O HMDB0033923 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,1,0,0,0,0|0,0,0]=1 51 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,1,0,0,0,0|1,0,2]=4 55 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,1,0,0,0,0|0,0,0]=1 57 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.8 CCCOC(=O)C(C)C HMDB0036209 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [0,1,0,0,0,0|0,1,1]=3 61 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.8 CSCCC(N)C(O)=O HMDB0033951 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.8 CSCC[C@H](N)C(O)=O HMDB0000696 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,1,0,0,0,0|0,0,0]=1 70 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.23 CC(C)OC(=O)C(C)C HMDB0038227 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,0,0,1,0,0|1,0,1]=3 77 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,0,0,1,0,0|0,0,0]=1 78 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.7 CC(=O)C1=NCCS1 HMDB0033561 [0,0,0,1,0,0|1,1,0]=3 80 B8R1.7 CC(=O)C1CCCN1 HMDB0037293 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.7 CC(=O)C1CCSS1 HMDB0040230 [0,0,0,1,0,0|1,1,1]=4 82 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.18 CC1OC(=O)C(C)=C1 HMDB0039778 [0,0,0,1,0,0|2,0,0]=3 84 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,0,0,0,0,1|1,0,1]=3 85 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,0,0,0,0,1|1,0,1]=3 86 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,0,0,0,0,1|1,0,0]=2 87 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,0,0,0,0,1|1,0,0]=2 88 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,0,0,0,0,1|2,0,1]=4 89 B8R0.5 CCOC(=O)CC(C)O HMDB0040409 [0,0,0,0,0,1|1,0,2]=4 90 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,0,0,0,0,1|1,1,1]=4 91 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,0,0,0,0,1|2,0,1]=4 92 B5R0.1 C/C=C/C(O)=O HMDB0010720 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.1 C/C=C\C(O)=O HMDB0034439 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 CC(=C)CCO HMDB0030126 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 CC(=O)CC=C HMDB0031606 [2,0,0,0,0,0|0,0,2]=4 96 B5R0.1 CC(=O)CCS HMDB0041015 [2,0,0,0,0,0|1,0,0]=3 97 B5R0.1 CC(C)=CCO HMDB0030124 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 CC(C)=CCS HMDB0031529 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 CCCC(C)=O HMDB0034235 [2,0,0,0,0,0|0,0,0]=2 100 B5R0.1 CCCC(C)O HMDB0031599 [2,0,0,0,0,0|0,0,2]=4 101 B5R0.1 CCCC(C)S HMDB0041010 [2,0,0,0,0,0|0,1,1]=4 102 B5R0.1 CCCC(N)=O HMDB0033870 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|0,0,1]=3 104 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|1,0,0]=3 106 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|1,0,0]=3 109 B5R0.1 CSCC(C)=O HMDB0040170 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.1 OC(=O)CCS HMDB0041604 [2,0,0,0,0,0|1,0,1]=4 112 B5R0.2 CC/C=C/SC HMDB0038892 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|0,0,1]=3 114 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,0,1]=3 115 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|0,0,2]=4 116 B5R0.2 CCCOC=O HMDB0040253 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.2 CSCCC=O HMDB0031857 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.2 CSS/C=C\C HMDB0041391 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.2 C[Se]S/C=C/C HMDB0030880 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.3 C/C=C(/C)C=O HMDB0031512 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.3 C/C=C(\C)CO HMDB0034465 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.3 CC/C(C)=C/S HMDB0040347 [2,0,0,0,0,0|1,1,0]=4 124 B5R0.3 CCC(=O)C=C HMDB0031607 [2,0,0,0,0,0|0,0,1]=3 125 B5R0.3 CCC(=O)CO HMDB0031507 [2,0,0,0,0,0|0,0,2]=4 126 B5R0.3 CCC(=O)OC HMDB0030062 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.3 CCC(=O)SC HMDB0031192 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.3 CCC(C)C=O HMDB0031526 [2,0,0,0,0,0|1,0,1]=4 129 B5R0.3 CC[C@H](C)C=O HMDB0031525 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.3 COC(=O)C=C HMDB0033977 [2,0,0,0,0,0|1,0,1]=4 131 B5R0.3 COC(=O)OC HMDB0029580 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.5 CC(=C)C(C)=O HMDB0031530 [2,0,0,0,0,0|1,0,0]=3 133 B5R0.5 CC(S)C(C)=O HMDB0031982 [2,0,0,0,0,0|0,1,1]=4 134 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.2 CSC(=O)CC(C)C HMDB0039843 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,1,0,0,0,0|0,0,1]=3 140 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.3 CCCCC(C)C=O HMDB0040191 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|0,0,1]=3 143 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.3 COC(=O)CCSC HMDB0034377 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [1,1,0,0,0,0|0,0,0]=2 146 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,1,0,0,0,0|0,0,1]=3 147 B7R0.7 CCCC(C)CC=O HMDB0032405 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.7 CCOC(=O)CCS HMDB0040410 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [1,1,0,0,0,0|0,0,2]=4 152 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.10 CCC(S)C(C)C=O HMDB0035176 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [1,1,0,0,0,0|0,0,0]=2 156 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.16 CC(O)C(=O)C(O)=O HMDB0039324 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.4 CC(=O)CCCC=O HMDB0033568 [1,1,0,0,0,0|0,0,2]=4 160 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [1,1,0,0,0,0|0,0,1]=3 161 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,1,0,0,0,0|0,0,0]=2 163 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,1,0,0,0,0|1,0,0]=3 164 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,1,0,0,0,0|0,0,1]=3 166 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,1,0,0,0,0|0,0,1]=3 167 B7R0.4 CCOCC=C(C)C HMDB0038052 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,1,0,0,0,0|0,0,2]=4 169 B7R0.6 CC(=O)COC(C)=O HMDB0034466 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [1,1,0,0,0,0|0,0,1]=3 171 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,1,0,0,0,0|0,0,1]=3 173 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.6 CC(C)CNC(C)=O HMDB0034203 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,1,0,0,0,0|1,0,0]=3 176 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,1,0,0,0,1|1,0,1]=4 177 B9R0.6 CCCC(=C)C(N)C(O)=O HMDB0030410 [0,1,0,0,0,1|2,0,0]=4 178 B9R0.23 CCC(C)C(=O)OC(C)C HMDB0039217 [0,1,0,0,0,1|1,0,1]=4 179 B9R0.34 CCCC(O)CC(=O)OC HMDB0039407 [0,1,0,0,0,1|0,0,2]=4 180 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0031417 [0,1,0,0,0,1|1,0,1]=4 181 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,1,0,0,0,1|1,0,1]=4 182 B9R0.53 CC(C)SC(=O)C=C(C)C HMDB0032354 [0,1,0,0,0,1|2,0,0]=4 183 B9R0.27 CCC(C)C(=O)C(=O)OC HMDB0037114 [0,2,0,0,0,0|0,0,0]=2 184 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.35 CCCC(O)C(=O)CCC HMDB0035457 [0,2,0,0,0,0|0,0,2]=4 186 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.7 CC(C)COC(=O)C(C)C HMDB0040252 [0,2,0,0,0,0|1,0,1]=4 188 B9R0.7 NC(=O)CCC(=O)C(O)=O HMDB0001552 [0,2,0,0,0,0|1,0,1]=4 189 B9R0.13 CCCCC(CO)C(C)=O HMDB0036165 [0,2,0,0,0,0|0,0,2]=4 190 B9R0.47 CCCCCC(=C)C(C)=O HMDB0037170 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,2,0,0,0,0|0,0,0]=2 192 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,2,0,0,0,0|0,0,2]=4 193 B9R0.47 CCCCOC(=O)C(C)C HMDB0040251 [0,2,0,0,0,0|1,0,1]=4 194 B9R0.47 CCCCOC(=O)C(C)O HMDB0040254 [0,2,0,0,0,0|0,0,2]=4 195 B9R0.15 CCC/C(=C\CC)C(O)=O HMDB0013902 [0,2,0,0,0,0|2,0,0]=4 196 B7R1.1 O=CN1CCCC1 HMDB0034587 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.2 CC1CC(S)=CS1 HMDB0039796 [1,0,0,1,0,0|0,2,0]=4 198 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,1,0,0|1,0,1]=4 201 B7R1.4 CC1=C(S)CCO1 HMDB0040580 [1,0,0,1,0,0|1,1,0]=4 202 B7R1.4 CC1=C(S)CCS1 HMDB0039792 [1,0,0,1,0,0|1,1,0]=4 203 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,1,0,0|0,0,1]=3 204 B7R1.4 CC1CCOC1=O HMDB0035143 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.4 CC1OCCC1=O HMDB0031178 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.4 CC1SCCC1=O HMDB0038556 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [1,0,0,1,0,0|0,1,1]=4 208 B9R1.7 CCCC1=CN=C(C)O1 HMDB0037860 [0,0,0,1,0,1|2,0,0]=4 209 B9R1.7 CCCC1=COC(C)=N1 HMDB0037853 [0,0,0,1,0,1|1,0,1]=4 210 B9R1.7 CCCC1=NC(C)=CO1 HMDB0037854 [0,0,0,1,0,1|1,0,1]=4 211 B9R1.7 CCCC1=NC=C(C)O1 HMDB0037861 [0,0,0,1,0,1|2,0,0]=4 212 B9R1.7 CCCC1CCC(=O)O1 HMDB0031681 [0,0,0,1,0,1|1,0,1]=4 213 B9R1.13 CC(=O)CN1CCCC1 HMDB0040030 [0,0,0,1,0,1|2,0,0]=4 214 B9R1.41 NC(=O)N1CCCC1=O HMDB0029874 [0,0,0,1,0,1|1,0,0]=3 215 B9R1.48 O=C1CCCCC(=O)O1 HMDB0040732 [0,0,0,1,0,1|0,0,0]=2 216 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,1,0,1,0,0|1,0,0]=3 217 B9R1.3 CC1CCCC(=O)C1=O HMDB0034080 [0,1,0,1,0,0|0,0,0]=2 218 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,1,0,1,0,0|0,0,0]=2 219 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,1,0,1,0,0|0,0,2]=4 221 B9R1.132 CCC1=C(O)C(=O)CO1 HMDB0031847 [0,1,0,1,0,0|0,0,2]=4 222 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,1,0,1,0,0|0,0,0]=2 223 B9R1.11 CCC(=O)C1=NCCC1 HMDB0034883 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.11 CCC(=O)C1=NCCS1 HMDB0032493 [0,1,0,1,0,0|1,1,0]=4 225 B9R1.6 CC(=O)C1=CSCCN1 HMDB0034882 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,1,0,1,0,0|1,0,1]=4 228 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,0,0,0,0,2|1,0,0]=3 229 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,0,0,0,0,2|1,0,1]=4 230 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,0,0,0,0,2|2,0,0]=4 231 B9R0.48 CCOC(=O)CCC(C)=O HMDB0040433 [0,0,0,0,0,2|1,0,0]=3