0 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCC(=O)CSC HMDB0037193 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 CCC(C)CCO HMDB0033676 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCCC(=O)OC HMDB0033890 [0,0,0,0,0,0|0,1,0]=1 5 B6R0.1 CCCC(=O)SC HMDB0031191 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.1 CCCC(C)C=O HMDB0031578 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCCC(O)C=C HMDB0031503 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.1 CCCC(O)CC HMDB0031493 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 CCOC(=O)C=C HMDB0033978 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCOC(=O)CC HMDB0030058 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCOC(C)CC HMDB0031326 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 COC(=O)CSC HMDB0035646 [0,0,0,0,0,0|1,1,0]=2 13 B6R0.1 CSC(C)CC=O HMDB0041491 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CSS(=O)/C=C\C HMDB0032746 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.1 CSS(=O)CC=C HMDB0032744 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|0,1,2]=4 18 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|0,1,2]=4 19 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|0,0,2]=3 21 B5R0.1 CC(=O)CCS HMDB0041015 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CC(C)CCN HMDB0031659 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CC(C)CCS HMDB0033902 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 CC(O)CCS HMDB0041475 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CC(S)CCS HMDB0033552 [1,0,0,0,0,0|1,1,1]=4 30 B5R0.1 CCCC(C)=O HMDB0034235 [1,0,0,0,0,0|0,0,0]=1 31 B5R0.1 CCCC(C)O HMDB0031599 [1,0,0,0,0,0|0,0,2]=3 32 B5R0.1 CCCC(C)S HMDB0041010 [1,0,0,0,0,0|0,1,1]=3 33 B5R0.1 CCCC(N)=O HMDB0033870 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|0,1,0]=2 35 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|1,1,0]=3 39 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CN(C)CCO HMDB0032231 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CSCC(C)=O HMDB0040170 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|1,1,0]=3 43 B5R0.1 OC(=O)CCS HMDB0041604 [1,0,0,0,0,0|1,1,0]=3 44 B5R0.2 CC/C=C/SC HMDB0038892 [1,0,0,0,0,0|0,0,1]=2 45 B5R0.2 CC/C=C\C=O HMDB0031601 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 CCCCC#N HMDB0040173 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 CCCOC=O HMDB0040253 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.2 CCSSSC HMDB0038891 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.2 CSCSSC HMDB0031875 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.2 CSS/C=C\C HMDB0041391 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.2 CSSCC=C HMDB0041389 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.2 CSSSSC HMDB0041065 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.3 BrCC(=O)CI HMDB0040190 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.3 C/C=C(\C)CO HMDB0034465 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.3 CC/C(C)=C/S HMDB0040347 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,0,0,0,0|0,1,0]=2 70 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,0,0,0,0|0,0,0]=1 71 B5R0.3 COC(=O)C=C HMDB0033977 [1,0,0,0,0,0|0,1,2]=4 72 B5R0.3 COC(=O)OC HMDB0029580 [1,0,0,0,0,0|1,1,0]=3 73 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,0,0,0,0|0,1,0]=2 75 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,0,0,0,0|0,1,0]=2 76 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,0,0,0,0|0,1,0]=2 77 B7R0.2 CSC(=O)CC(C)C HMDB0039843 [0,1,0,0,0,0|0,0,0]=1 78 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.3 CCC(=O)SCC=C HMDB0037493 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,0,0,0,0|0,1,0]=2 83 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 CCCCC(O)CC HMDB0031481 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.3 CCCSC(S)CC HMDB0040056 [0,1,0,0,0,0|1,1,1]=4 87 B7R0.3 CCSSC(C)SC HMDB0033046 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,1,0,0,0,0|0,1,1]=3 89 B7R0.3 COC(=O)CCSC HMDB0034377 [0,1,0,0,0,0|0,1,0]=2 90 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.5 CCCC(C)C(C)C HMDB0037617 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,1,0,0,0,0|0,1,0]=2 99 B7R0.7 CCCC(S)CCO HMDB0040152 [0,1,0,0,0,0|1,1,1]=4 100 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.7 CCOC(=O)CCS HMDB0040410 [0,1,0,0,0,0|1,1,0]=3 102 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.7 CCSC(C)CCO HMDB0032277 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.7 CCSC(C)SSC HMDB0033057 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,0,0,0,0|0,1,0]=2 107 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.2 CC1=CC(S)CS1 HMDB0039791 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.2 CC1CC(S)=CS1 HMDB0039796 [0,0,0,1,0,0|2,1,0]=4 112 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.2 CC1CN=C(C)N1 HMDB0037787 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.3 CC1OCCCS1 HMDB0039826 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.3 O=C1CCC=CO1 HMDB0040145 [0,0,0,1,0,0|0,1,2]=4 120 B7R1.4 CC1=C(S)CCO1 HMDB0040580 [0,0,0,1,0,0|2,1,0]=4 121 B7R1.4 CC1=C(S)CCS1 HMDB0039792 [0,0,0,1,0,0|2,1,0]=4 122 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,0,0,1,0,0|1,0,1]=3 123 B7R1.4 CC1CCOC1=O HMDB0035143 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.4 CC1OCCC1=O HMDB0031178 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 CC1SCCC1=O HMDB0038556 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.4 NC1CCOC1=O HMDB0029387 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.4 SC1COCC1=O HMDB0039786 [0,0,0,1,0,0|3,0,0]=4 128 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|1,1,0]=4 130 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.1 CCC(O)=O HMDB0000237 [2,0,0,0,0,0|0,1,0]=3 132 B4R0.1 CNC(S)=S HMDB0039221 [2,0,0,0,0,0|1,1,0]=4 133 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|0,1,0]=3 134 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|0,0,0]=2 135 B4R0.1 CSC(C)C HMDB0040576 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.1 CSS(C)=O HMDB0032739 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|1,1,0]=4 138 B4R0.2 C/C=C/SO HMDB0031636 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.2 C/C=C\C=O HMDB0034233 [2,0,0,0,0,0|0,0,2]=4 140 B4R0.2 C/C=C\CO HMDB0033858 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.2 CCC=S=O HMDB0040346 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,1]=3 143 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,0,1]=3 145 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,0]=3 147 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.2 CCSSC HMDB0032912 [2,0,0,0,0,0|1,0,0]=3 150 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|0,0,2]=4 151 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.2 CSCSC HMDB0031317 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.2 CS[Se]SC HMDB0030876 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|1,0,1]=4 156 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|1,0,1]=4 157 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,1,0,0,0,0|0,0,1]=3 159 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,1,0,0,0,0|0,0,1]=3 161 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,1,0,0,0,0|0,0,2]=4 163 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|0,1,0]=3 164 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|0,1,0]=3 166 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|0,0,0]=2 167 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,1,0,0,0,0|0,1,1]=4 168 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,1,0,0,0,0|0,0,1]=3 169 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,1,0,0,0,0|0,1,0]=3 170 B6R0.3 CCC(C)C(O)S HMDB0032373 [1,1,0,0,0,0|0,0,2]=4 171 B6R0.3 CCC(O)C(C)=O HMDB0031516 [1,1,0,0,0,0|0,0,0]=2 172 B6R0.3 CCC(S)C(C)=O HMDB0034896 [1,1,0,0,0,0|0,0,0]=2 173 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,1,0,0,0,0|0,1,0]=3 174 B6R0.3 CSC(C)C(C)=O HMDB0041558 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.3 OCC(O)C(O)=O HMDB0031818 [1,1,0,0,0,0|1,1,0]=4 176 B6R0.4 CC(=O)OCCN HMDB0038394 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|0,1,1]=4 178 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|0,1,0]=3 179 B6R0.4 CCCOC(C)=O HMDB0034237 [1,1,0,0,0,0|0,0,0]=2 180 B6R0.4 CCCSC(C)=O HMDB0033856 [1,1,0,0,0,0|0,0,0]=2 181 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|0,1,0]=3 182 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|0,0,0]=2 183 B6R0.4 CSCCC(C)O HMDB0041476 [1,1,0,0,0,0|0,0,2]=4 184 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|0,1,0]=3 185 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|0,1,1]=4 186 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|0,1,1]=4 187 B6R0.6 C/C=C/CCC=O HMDB0040271 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.6 C/C=C\CCC=O HMDB0033549 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.6 C/C=C\CCCO HMDB0031502 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.6 CC/C=C\CCO HMDB0030003 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.6 CCC/C=C/CO HMDB0030952 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.6 CCC/C=C\C=O HMDB0040264 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.6 CCCC=CC=O HMDB0031496 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.6 CCCCCCC HMDB0031447 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.6 CCCCCCN HMDB0032323 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.6 CCCCCCO HMDB0012971 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.6 CCCCCCS HMDB0039806 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.6 CCCCCSS HMDB0031160 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.6 CCCS/C=C/C HMDB0040244 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.6 CCCSCCC HMDB0031431 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.6 CCCSSCC HMDB0033053 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.6 CCCSSSC HMDB0031871 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.6 CCSSCSC HMDB0033047 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.6 CCSSSCC HMDB0039524 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.6 CSCCCC=O HMDB0037474 [1,1,0,0,0,0|0,0,2]=4 206 B6R0.6 CSCCCCO HMDB0041562 [1,1,0,0,0,0|0,0,1]=3 207 B6R0.6 CSCSCSC HMDB0032547 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.8 COP(N)(=O)SC HMDB0031803 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.9 CCC(CC)C=O HMDB0031220 [1,1,0,0,0,0|1,0,1]=4 210 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,2,0,0,0,0|2,0,0]=4 211 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,2,0,0,0,0|0,1,0]=3 212 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|0,1,1]=4 213 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|0,1,1]=4 214 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,2,0,0,0,0|0,1,0]=3 215 B8R0.5 CCOC(=O)CC(C)O HMDB0040409 [0,2,0,0,0,0|0,1,0]=3 216 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,2,0,0,0,0|0,1,0]=3 217 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,2,0,0,0,0|0,1,0]=3 218 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,2,0,0,0,0|1,0,0]=3 219 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.23 CC(C)OC(=O)C(C)C HMDB0038227 [0,2,0,0,0,0|2,0,0]=4 221 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [0,2,0,0,0,0|0,1,0]=3 222 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,2,0,0,0,0|0,0,0]=2 223 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [0,2,0,0,0,0|1,0,0]=3 224 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,2,0,0,0,0|0,1,0]=3 225 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,2,0,0,0,0|0,1,0]=3 226 B8R0.1 CCCS(=O)S/C=C\C HMDB0032748 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.1 CCCS(=O)SCC=C HMDB0032741 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.1 CCCSS(=O)/C=C\C HMDB0032749 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.1 CCCSS(=O)CCC HMDB0034394 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,2,0,0,0,0|0,1,1]=4 231 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,2,0,0,0,0|0,1,0]=3 232 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,2,0,0,0,0|0,1,1]=4 233 B8R0.3 CCC(C)C(=O)/C=C\C HMDB0035242 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|1,0,0]=3 235 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|0,1,0]=3 236 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,2,0,0,0,0|0,1,0]=3 238 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,2,0,0,0,0|1,0,1]=4 239 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,2,0,0,0,0|0,1,0]=3 240 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,2,0,0,0,0|0,1,0]=3 242 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.6 CCCCCC(=O)OC HMDB0035238 [0,2,0,0,0,0|0,1,0]=3 245 B8R0.6 CCCCCC(=O)SC HMDB0039465 [0,2,0,0,0,0|0,0,0]=2 246 B8R0.6 CCCCCC(S)SC HMDB0039783 [0,2,0,0,0,0|0,1,1]=4 247 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,2,0,0,0,0|0,1,0]=3 249 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,2,0,0,0,0|1,0,0]=3 253 B8R0.8 CCCOC(=O)C(C)C HMDB0036209 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.9 CCC(=O)OCC(C)C HMDB0034239 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.9 COC(=O)CCC(C)=O HMDB0041602 [0,2,0,0,0,0|0,1,0]=3 260 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,2,0,0,0,0|0,1,0]=3 261 B8R0.9 CSC(=O)CCC(C)C HMDB0039468 [0,2,0,0,0,0|0,0,0]=2 262 B8R0.11 CCCC/C(=C\C)C=O HMDB0037152 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.22 CCCC(CC=O)SC HMDB0040186 [0,2,0,0,0,0|0,0,1]=3 264 B8R0.22 CCCC(CCO)SC HMDB0040153 [0,2,0,0,0,0|0,0,2]=4 265 B8R0.20 CCC(SC)C(=O)OC HMDB0041306 [0,2,0,0,0,0|0,1,0]=3 266 B6R1.2 CC1=CCCS1 HMDB0033565 [1,0,0,1,0,0|0,1,1]=4 267 B6R1.2 CC1=COCC1 HMDB0040584 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.2 CC1=NCCS1 HMDB0029555 [1,0,0,1,0,0|1,1,0]=4 269 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|1,0,1]=4 270 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,0]=2 271 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|0,0,0]=2 272 B6R1.2 O=C1CCON1 HMDB0039426 [1,0,0,1,0,0|2,0,0]=4 273 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.2 SC1CCCC1 HMDB0039771 [1,0,0,1,0,0|0,1,1]=4 275 B6R1.2 SC1CCCS1 HMDB0040250 [1,0,0,1,0,0|0,1,1]=4 276 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.1 C1CCNCC1 HMDB0034301 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.1 C1CSCCS1 HMDB0031474 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.1 C1CSCSC1 HMDB0031473 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.1 C1CSSSC1 HMDB0040452 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.1 COC1CCC(=O)N1 HMDB0034208 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.4 CC1=CCCC(O)C1 HMDB0034372 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [0,1,0,1,0,0|1,0,0]=3 285 B8R1.18 CC1OC(=O)C(C)=C1 HMDB0039778 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.8 CCCC1=CC=CS1 HMDB0033160 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.8 CCCC1NCCS1 HMDB0040058 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.11 CCC1SCCC1=O HMDB0040238 [0,1,0,1,0,0|1,0,0]=3