0 B6R0.1 CC(CC=C)C=O HMDB0030332 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCCC(=O)CC HMDB0000753 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCCC(=O)OC HMDB0033890 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCCC(=O)SC HMDB0031191 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCCC(C)C=O HMDB0031578 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCCC(O)C=C HMDB0031503 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CCCC(O)CC HMDB0031493 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCOC(=O)CC HMDB0030058 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CCOC(C)CC HMDB0031326 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|0,0,2]=3 12 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|0,1,2]=4 13 B5R0.1 CC(C)CCN HMDB0031659 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 CC(C)CCO HMDB0006007 [1,0,0,0,0,0|0,0,0]=1 15 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 CN(C)CCO HMDB0032231 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|0,0,2]=3 19 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|0,0,2]=3 20 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.2 CCCCCO HMDB0013036 [1,0,0,0,0,0|0,0,0]=1 22 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|0,1,0]=2 23 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.2 NCCCC=O HMDB0001080 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.2 NCCCCN HMDB0001414 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 CCC(C)C=O HMDB0031526 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.3 CCC(C)CN HMDB0032392 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.3 CCC(C)CO HMDB0031527 [1,0,0,0,0,0|0,0,0]=1 37 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,0,0,0,0,0|0,0,2]=3 39 B5R0.3 COC(C)OC HMDB0030061 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.3 OCC(=O)CO HMDB0001882 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 OCC(O)C=O HMDB0001051 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 OCC(O)CCl HMDB0031334 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.3 OCC(O)CO HMDB0000131 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,1,0,0,0,0|0,0,1]=2 47 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,1,0,0,0,0|1,0,1]=3 48 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.7 CCOC(C)OCC HMDB0031644 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.7 CCSC(C)CCO HMDB0032277 [0,1,0,0,0,0|0,0,0]=1 62 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.10 OC[C@@H](O)[C@H](O)CO HMDB0004136 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.10 OC[C@H](O)[C@H](O)CO HMDB0002994 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.10 O[C@@H](CS)[C@@H](O)CS HMDB0013593 [0,1,0,0,0,0|2,1,0]=4 67 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.11 CCCC(C)(S)CO HMDB0032374 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.4 NC1CCOC1=O HMDB0029387 [0,0,0,1,0,0|2,0,1]=4 75 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|0,0,2]=4 77 B4R0.1 CC(C)CO HMDB0006006 [2,0,0,0,0,0|0,0,0]=2 78 B4R0.1 CC(C)CS HMDB0031245 [2,0,0,0,0,0|0,1,0]=3 79 B4R0.1 CC(Cl)CO HMDB0031335 [2,0,0,0,0,0|1,0,0]=3 80 B4R0.1 CC(N)CN HMDB0013136 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 CC(O)CN HMDB0012136 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.1 CC(S)CS HMDB0031631 [2,0,0,0,0,0|1,1,0]=4 83 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,2]=4 84 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|0,0,0]=2 86 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.1 C[C@H](O)CO HMDB0006213 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,2]=4 90 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,0]=2 91 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,0]=3 92 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,0]=2 93 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,0]=3 94 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 95 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,0]=3 97 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,0,0]=3 98 B4R0.2 CSCSC HMDB0031317 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.2 NCCCN HMDB0000002 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|0,0,2]=4 101 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|1,1,0]=4 103 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,1,0,0,0,0|0,0,2]=4 104 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|0,0,1]=3 105 B6R0.2 CC(C)SC(C)C HMDB0029579 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|1,0,1]=4 111 B6R0.3 CCC(=O)C(C)C HMDB0005846 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.4 CC(C)CCC=O HMDB0001318 [1,1,0,0,0,0|0,0,1]=3 113 B6R0.4 CC(C)CN=C=S HMDB0032345 [1,1,0,0,0,0|0,1,1]=4 114 B6R0.4 CC(C)COC=O HMDB0031247 [1,1,0,0,0,0|0,0,2]=4 115 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.5 C[As+](C)(C)CCO HMDB0032683 [1,1,0,0,0,0|1,0,0]=3 117 B6R0.6 C/C=C\CCCO HMDB0031502 [1,1,0,0,0,0|0,0,1]=3 118 B6R0.6 CC/C=C\CCO HMDB0030003 [1,1,0,0,0,0|0,0,1]=3 119 B6R0.6 CCC/C=C/CO HMDB0030952 [1,1,0,0,0,0|0,0,1]=3 120 B6R0.6 CCCCCC=O HMDB0005994 [1,1,0,0,0,0|0,0,1]=3 121 B6R0.6 CCCCCCC HMDB0031447 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.6 CCCCCCN HMDB0032323 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.6 CCCCCCO HMDB0012971 [1,1,0,0,0,0|0,0,0]=2 124 B6R0.6 CCCCCSS HMDB0031160 [1,1,0,0,0,0|0,1,0]=3 125 B6R0.6 CCCCN=C=S HMDB0031328 [1,1,0,0,0,0|0,1,1]=4 126 B6R0.6 CCCCON=O HMDB0031329 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.6 CCCSCCC HMDB0031431 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.6 CNCCCCN HMDB0003661 [1,1,0,0,0,0|1,0,0]=3 129 B6R0.6 NCCCCC=O HMDB0012815 [1,1,0,0,0,0|0,0,2]=4 130 B6R0.6 NCCCCCN HMDB0002322 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.6 NCCNCCN HMDB0031413 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.6 OCCSCCO HMDB0042033 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.9 CCC(CC)C=O HMDB0031220 [1,1,0,0,0,0|0,0,1]=3 134 B6R0.9 CCN(CC)CC HMDB0032539 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,2,0,0,0,0|0,0,2]=4 136 B8R0.2 CCC(C)C(C)C(C)C HMDB0030302 [0,2,0,0,0,0|1,0,0]=3 137 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [0,2,0,0,0,0|1,0,1]=4 138 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,2,0,0,0,0|0,0,1]=3 139 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [0,2,0,0,0,0|0,0,1]=3 140 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,2,0,0,0,0|0,0,0]=2 141 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,2,0,0,0,0|1,0,1]=4 142 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,2,0,0,0,0|1,0,1]=4 143 B8R0.16 OCC(CC)CC(C)C HMDB0013818 [0,2,0,0,0,0|1,0,0]=3 144 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.19 OCC(O)CC(O)CO HMDB0031201 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,2,0,0,0,0|1,0,1]=4 147 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|1,0,1]=4 148 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,2,0,0,0,0|1,0,1]=4 150 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,2,0,0,0,0|2,0,0]=4 151 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,2,0,0,0,0|1,0,1]=4 152 B8R0.9 CC(O)COC(C)CO HMDB0032478 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.11 CCCCC(CC)CO HMDB0031231 [0,2,0,0,0,0|1,0,0]=3 154 B8R0.13 CC(O)(CO)[C@@H](O)CO HMDB0011659 [0,2,0,0,0,0|1,0,0]=3 155 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,1,0,0|1,0,1]=4 156 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|1,0,0]=3 157 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,1]=4 158 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|1,0,0]=3 159 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|1,0,0]=3 160 B6R1.1 C1CSCCS1 HMDB0031474 [1,0,0,1,0,0|1,1,0]=4 161 B6R1.1 C1CSCSC1 HMDB0031473 [1,0,0,1,0,0|1,1,0]=4 162 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,1,0,1,0,0|0,0,0]=2 164 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,1,0,1,0,0|0,1,0]=3 165 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [0,1,0,1,0,0|0,1,0]=3 166 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,1,0,0|0,0,1]=3 168 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|1,0,1]=4