0 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCCC(=O)CC HMDB0000753 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 CCCC(=O)OC HMDB0033890 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.1 CCCC(=O)SC HMDB0031191 [0,0,0,0,0,0|0,1,0]=1 4 B6R0.1 CCCC(C)C=O HMDB0031578 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCCC(O)C=C HMDB0031503 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.1 CCCC(O)CC HMDB0031493 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.1 CCOC(=O)CC HMDB0030058 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCOC(C)CC HMDB0031326 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 COC(=O)CSC HMDB0035646 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|0,0,2]=3 12 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|0,0,2]=3 13 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|0,0,2]=3 14 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|0,0,2]=3 16 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(C)CCN HMDB0031659 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)CCO HMDB0006007 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|0,0,0]=1 23 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 CN(C)CCO HMDB0032231 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.2 CC/C=C\C=O HMDB0031601 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.2 CCCCCO HMDB0013036 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|1,1,0]=3 43 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|1,1,1]=4 46 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|1,1,1]=4 47 B5R0.2 CSCSSC HMDB0031875 [1,0,0,0,0,0|2,1,0]=4 48 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,0,0,0,0|0,0,0]=1 52 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,0,0,0,0|0,1,0]=2 53 B5R0.3 CNC(=O)NC HMDB0029198 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.3 COC(=O)OC HMDB0029580 [1,0,0,0,0,0|1,0,0]=2 55 B5R0.3 COC(C)OC HMDB0030061 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 OCC(=O)CO HMDB0001882 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,1,0,0,0,0|0,0,1]=2 60 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,0,0,0,0|0,0,0]=1 61 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,0,0,0,0|0,0,0]=1 62 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,0,0,0,0|0,0,0]=1 63 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,0,0,0,0|0,0,0]=1 66 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,1,0,0,0,0|0,0,1]=2 69 B7R0.3 COC(=O)CCSC HMDB0034377 [0,1,0,0,0,0|0,0,0]=1 70 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,1,0,0,0,0|0,0,0]=1 79 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,1,0,0,0,0|0,0,2]=3 80 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.7 CCOC(C)OCC HMDB0031644 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,0,0,0,0|1,0,1]=3 83 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,0,0,0,0|0,0,0]=1 84 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,0,0,1,0,0|0,0,0]=1 89 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,0,0,1,0,0|1,0,0]=2 94 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,0,0,1,0,0|1,0,1]=3 96 B7R1.4 NC1CCOC1=O HMDB0029387 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.4 NC1CCSC1=O HMDB0002287 [0,0,0,1,0,0|3,0,0]=4 98 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,0]=3 100 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|1,0,0]=3 102 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,0]=2 104 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|0,0,2]=4 106 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|0,0,0]=2 107 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|0,1,0]=3 108 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|1,0,0]=3 109 B4R0.1 OC(=O)C#C HMDB0006804 [2,0,0,0,0,0|0,0,2]=4 110 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|0,0,2]=4 111 B4R0.1 OC(=O)C=O HMDB0000119 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,0]=2 115 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,1]=3 116 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,1]=4 117 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,1]=3 118 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,1]=4 119 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 120 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,0]=3 126 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.2 CSCSC HMDB0031317 [2,0,0,0,0,0|1,1,0]=4 128 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,0]=3 130 B4R0.2 O=CCC#C HMDB0006853 [2,0,0,0,0,0|0,0,2]=4 131 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,1,0,0,0,0|0,0,1]=3 135 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,1,0,0,0,0|0,0,1]=3 137 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,1,0,0,0,0|0,0,1]=3 138 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,1,0,0,0,0|0,0,2]=4 140 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,1,0,0,0,0|0,0,2]=4 141 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,1,0,0,0,0|0,0,0]=2 142 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|0,0,0]=2 143 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,1,0,0,0,0|1,0,0]=3 144 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|0,0,0]=2 145 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|0,0,0]=2 146 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|0,0,0]=2 147 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,1,0,0,0,0|1,0,0]=3 148 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|0,0,0]=2 149 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|0,0,0]=2 150 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,1,0,0,0,0|0,0,2]=4 152 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,1,0,0,0,0|0,0,2]=4 153 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.3 CC(CN)C(O)=O HMDB0003911 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,1,0,0,0,0|0,0,1]=3 156 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [1,1,0,0,0,0|0,0,1]=3 158 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,1,0,0,0,0|0,0,0]=2 159 B6R0.3 CCC(C)C(O)S HMDB0032373 [1,1,0,0,0,0|0,1,1]=4 160 B6R0.3 CCC(O)C(O)=O HMDB0000008 [1,1,0,0,0,0|0,0,0]=2 161 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [1,1,0,0,0,0|0,0,0]=2 162 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,1,0,0,0,0|0,0,0]=2 163 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [1,1,0,0,0,0|0,0,0]=2 164 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.3 OC(CS)C(O)=O HMDB0002127 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.3 OCC(O)C(O)=O HMDB0031818 [1,1,0,0,0,0|1,0,0]=3 181 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|0,0,1]=3 184 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|0,0,0]=2 185 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|0,0,0]=2 186 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|0,0,0]=2 187 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|0,0,0]=2 188 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|0,0,0]=2 189 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|0,0,0]=2 190 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|0,0,0]=2 191 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|0,0,1]=3 192 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|0,0,1]=3 193 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,1,0,0,0,0|0,0,2]=4 194 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|0,0,0]=2 195 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.5 CCOP(O)(O)=O HMDB0012228 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.5 CCOS(O)(=O)=O HMDB0031233 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.5 NCCP(O)(O)=O HMDB0011747 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.5 NCCS(O)(=O)=O HMDB0000251 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.5 OCCS(O)(=O)=O HMDB0003903 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.5 OS(=O)(=O)CCS HMDB0003745 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.6 C/C=C\CCCO HMDB0031502 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.6 CC/C=C\CCO HMDB0030003 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.6 CCC/C=C/CO HMDB0030952 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.6 CCCC=CC=O HMDB0031496 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.6 CCCCCCC HMDB0031447 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.6 CCCCCCN HMDB0032323 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.6 CCCCCCO HMDB0012971 [1,1,0,0,0,0|1,0,1]=4 209 B6R0.6 CCCCON=O HMDB0031329 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.6 CCCSCCC HMDB0031431 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.6 CCCSSSC HMDB0031871 [1,1,0,0,0,0|1,1,0]=4 212 B6R0.6 CNCCCCN HMDB0003661 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.8 COP(N)(=O)SC HMDB0031803 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.9 CCC(CC)C=O HMDB0031220 [1,1,0,0,0,0|1,0,1]=4 215 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,2,0,0,0,0|2,0,0]=4 216 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,2,0,0,0,0|0,0,0]=2 218 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|0,0,1]=3 220 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|0,0,1]=3 221 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,2,0,0,0,0|0,0,0]=2 222 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,2,0,0,0,0|0,0,0]=2 223 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,2,0,0,0,0|1,0,1]=4 224 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,2,0,0,0,0|0,0,0]=2 225 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.1 C/C=C\C(=O)OCC=C HMDB0032067 [0,2,0,0,0,0|0,0,2]=4 228 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [0,2,0,0,0,0|0,0,0]=2 229 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,2,0,0,0,0|0,0,0]=2 230 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [0,2,0,0,0,0|1,0,0]=3 231 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,2,0,0,0,0|0,0,0]=2 232 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,2,0,0,0,0|0,0,0]=2 233 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,2,0,0,0,0|0,0,1]=3 234 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,2,0,0,0,0|0,0,0]=2 235 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,2,0,0,0,0|0,0,1]=3 236 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|0,0,0]=2 238 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,2,0,0,0,0|0,0,0]=2 240 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,2,0,0,0,0|1,0,1]=4 241 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,2,0,0,0,0|0,0,0]=2 242 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,2,0,0,0,0|0,0,0]=2 244 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,2,0,0,0,0|1,0,1]=4 245 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [0,2,0,0,0,0|0,0,2]=4 248 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,2,0,0,0,0|0,0,0]=2 249 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 CCCCC(=O)C(O)=O HMDB0001864 [0,2,0,0,0,0|2,0,0]=4 254 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 COC(=O)CCC(C)C HMDB0036238 [0,2,0,0,0,0|0,0,0]=2 259 B8R0.30 CCOP(O)(=O)OCC HMDB0012209 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.20 CCC(SC)C(=O)OC HMDB0041306 [0,2,0,0,0,0|0,0,0]=2 261 B6R1.2 CC1=NCCS1 HMDB0029555 [1,0,0,1,0,0|1,1,0]=4 262 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|1,0,1]=4 263 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,0]=2 264 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,0]=3 265 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|0,0,0]=2 266 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|0,1,0]=3 267 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,0]=3 268 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|1,0,0]=3 269 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|0,0,2]=4 270 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,1,0,1,0,0|0,0,0]=2 275 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,1,0,0|1,0,0]=3 280 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,1,0,1,0,0|2,0,0]=4