0 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 CC1CCCCN1 HMDB0032416 [1,0,0,0,0,0|1,0,0]=2 2 B7R1.3 CC1OCCCS1 HMDB0039826 [1,0,0,0,0,0|1,0,0]=2 3 B7R1.3 CC1SCCSS1 HMDB0037290 [1,0,0,0,0,0|2,1,0]=4 4 B7R1.3 NC1CCCCC1 HMDB0031404 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 CC(C)C1CCCCC1 HMDB0038191 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,1,0,0,0,0|1,0,1]=3 7 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.8 O=COC1CCCCC1 HMDB0031351 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,0,1,0,0,0|1,0,2]=4 10 B7R0.1 CCCCCCC=C HMDB0032449 [0,0,1,0,0,0|2,0,1]=4 11 B7R0.1 CCCCCCC=O HMDB0031475 [0,0,1,0,0,0|1,0,2]=4 12 B7R0.1 CCCCCCCO HMDB0031479 [0,0,1,0,0,0|1,0,0]=2 13 B7R0.1 CCCCCCCS HMDB0032304 [0,0,1,0,0,0|1,1,0]=3 14 B7R0.1 CCCCCCOC HMDB0032407 [0,0,1,0,0,0|3,0,0]=4 15 B7R0.1 CCCCOCCO HMDB0031327 [0,0,1,0,0,0|0,0,0]=1 16 B7R0.1 CCCCSSCC HMDB0032180 [0,0,1,0,0,0|2,1,0]=4 17 B7R0.1 CCCSSCCC HMDB0031472 [0,0,1,0,0,0|2,1,0]=4 18 B7R0.1 SCCCCCCS HMDB0031709 [0,0,1,0,0,0|0,2,0]=3 19 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,0,1,0,0,0|1,0,2]=4 20 B7R0.3 CCCCC(C)C=O HMDB0040191 [0,0,1,0,0,0|1,0,2]=4 21 B7R0.3 CCCCC(C)CC HMDB0031583 [0,0,1,0,0,0|2,0,0]=3 22 B7R0.3 CCCCC(O)CC HMDB0031481 [0,0,1,0,0,0|1,0,0]=2 23 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,0,1,0,0,0|2,0,1]=4 24 B7R0.3 CCCSC(S)CC HMDB0040056 [0,0,1,0,0,0|2,1,0]=4 25 B7R1.1 O=CN1CCCC1 HMDB0034587 [0,0,0,0,1,0|1,0,2]=4 26 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,0,0,0,1,0|2,0,1]=4 27 B7R1.1 OCC1CCCO1 HMDB0031175 [0,0,0,0,1,0|0,0,0]=1 28 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,1,0,0,0|0,0,2]=4 29 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,1,0,0,0|0,0,2]=4 30 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,1,0,0,0|0,0,2]=4 31 B6R0.6 CCCCCCC HMDB0031447 [1,0,1,0,0,0|1,0,0]=3 32 B6R0.6 CCCCCCN HMDB0032323 [1,0,1,0,0,0|1,0,0]=3 33 B6R0.6 CCCCCCO HMDB0012971 [1,0,1,0,0,0|0,0,0]=2 34 B6R0.6 CCCCCCS HMDB0039806 [1,0,1,0,0,0|0,1,0]=3 35 B6R0.6 CCCCCSS HMDB0031160 [1,0,1,0,0,0|1,1,0]=4 36 B6R0.6 CCCCOC=O HMDB0040575 [1,0,1,0,0,0|0,0,2]=4 37 B6R0.6 CCCCON=O HMDB0031329 [1,0,1,0,0,0|1,0,1]=4 38 B6R0.6 CCCSCCC HMDB0031431 [1,0,1,0,0,0|1,1,0]=4 39 B6R0.6 CCCSSCC HMDB0033053 [1,0,1,0,0,0|1,1,0]=4 40 B6R0.6 CSCCCCO HMDB0041562 [1,0,1,0,0,0|1,0,0]=3 41 B6R0.1 CCC(C)CCO HMDB0033676 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.1 CCCC(=O)OC HMDB0033890 [1,0,1,0,0,0|0,0,2]=4 43 B6R0.1 CCCC(C)C=O HMDB0031578 [1,0,1,0,0,0|0,0,2]=4 44 B6R0.1 CCCC(O)C=C HMDB0031503 [1,0,1,0,0,0|1,0,1]=4 45 B6R0.1 CCCC(O)CC HMDB0031493 [1,0,1,0,0,0|1,0,0]=3 46 B6R0.1 CCOC(=O)CC HMDB0030058 [1,0,1,0,0,0|0,0,2]=4 47 B6R0.1 CCOC(C)CC HMDB0031326 [1,0,1,0,0,0|0,0,0]=2 48 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,1,0,0,0|0,0,2]=4 49 B6R0.4 CCCOC(C)=O HMDB0034237 [1,0,1,0,0,0|0,0,2]=4 50 B6R0.4 CCSSC(C)C HMDB0033054 [1,0,1,0,0,0|1,1,0]=4 51 B6R0.4 CSCCC(C)O HMDB0041476 [1,0,1,0,0,0|1,0,0]=3 52 B6R0.9 CCC(CC)C=O HMDB0031220 [1,0,1,0,0,0|0,0,2]=4 53 B6R0.9 CCN(CC)CC HMDB0032539 [1,0,1,0,0,0|2,0,0]=4 54 B6R1.1 C1CCCCC1 HMDB0029597 [2,0,0,0,0,0|1,0,0]=3 55 B6R1.1 C1CCNCC1 HMDB0034301 [2,0,0,0,0,0|1,0,0]=3 56 B6R1.1 C1COCCN1 HMDB0031581 [2,0,0,0,0,0|1,0,0]=3 57 B6R1.1 C1CSCCS1 HMDB0031474 [2,0,0,0,0,0|1,1,0]=4 58 B6R1.1 C1CSCSC1 HMDB0031473 [2,0,0,0,0,0|1,1,0]=4 59 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,1,1,0,0,0|1,0,1]=4 60 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,1,1,0,0,0|1,0,1]=4 61 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,1,1,0,0,0|1,0,0]=3 62 B8R0.4 CCCC/C=C\CCO HMDB0035231 [0,1,1,0,0,0|1,0,0]=3 63 B8R0.4 CCCCC/C=C\CO HMDB0031296 [0,1,1,0,0,0|1,0,1]=4 64 B8R0.4 CCCCCCCC=C HMDB0031270 [0,1,1,0,0,0|2,0,0]=4 65 B8R0.4 CCCCCCCCC HMDB0029595 [0,1,1,0,0,0|2,0,0]=4 66 B8R0.4 CCCCCCCCO HMDB0001183 [0,1,1,0,0,0|1,0,0]=3 67 B8R0.4 CCCCSCCCC HMDB0031660 [0,1,1,0,0,0|1,1,0]=4 68 B8R0.4 CCCCSSCCC HMDB0033051 [0,1,1,0,0,0|1,1,0]=4 69 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,1,1,0,0,0|2,0,0]=4 70 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,1,1,0,0,0|1,0,1]=4 71 B8R0.6 CCCCOC(C)OC HMDB0037636 [0,1,1,0,0,0|2,0,0]=4 72 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,1,1,0,0,0|1,0,1]=4 73 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,1,1,0,0,0|1,0,1]=4 74 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,1,1,0,0,0|2,0,0]=4 75 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,1,1,0,0,0|1,0,0]=3 76 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,1,1,0,0,0|1,0,1]=4 77 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,1,1,0,0,0|2,0,0]=4 78 B8R0.3 OCCC(O)C(O)CO HMDB0033919 [0,1,1,0,0,0|1,0,0]=3 79 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,1,1,0,0,0|1,0,1]=4 80 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,1,1,0,0,0|1,0,1]=4 81 B8R0.9 CC(O)COC(C)CO HMDB0032478 [0,1,1,0,0,0|0,0,0]=2 82 B8R0.11 CCCCC(CC)CO HMDB0031231 [0,1,1,0,0,0|1,0,0]=3 83 B8R0.11 CCCCC(CC)CS HMDB0041477 [0,1,1,0,0,0|1,1,0]=4 84 B8R0.19 CCC(C)CC(C)CO HMDB0037791 [0,1,1,0,0,0|1,0,0]=3 85 B8R0.19 OCC(O)CC(O)CO HMDB0031201 [0,1,1,0,0,0|1,0,0]=3 86 B8R0.22 CCCC(CC=O)SC HMDB0040186 [0,1,1,0,0,0|0,1,1]=4 87 B8R0.22 CCCC(CCO)SC HMDB0040153 [0,1,1,0,0,0|0,1,0]=3 88 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [1,1,0,0,0,0|1,0,1]=4 89 B8R1.3 OC1CSC(O)CS1 HMDB0033670 [1,1,0,0,0,0|1,1,0]=4 90 B8R1.4 CC1=CCCC(O)C1 HMDB0034372 [1,1,0,0,0,0|1,0,1]=4 91 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [1,1,0,0,0,0|1,0,0]=3 93 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [1,1,0,0,0,0|1,0,0]=3 94 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,2,0,0,0,0|1,0,1]=4 97 B10R1.2 OCC1NCCC(O)C1O HMDB0033453 [0,2,0,0,0,0|1,0,0]=3 98 B10R1.10 CCCC1CCCC(=O)O1 HMDB0038310 [0,2,0,0,0,0|1,0,1]=4 99 B10R1.15 CCC(=O)C1CCCCN1 HMDB0033364 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [0,2,0,0,0,0|1,0,1]=4 101 B10R1.17 CCCCC1CCCCC1 HMDB0041402 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,2,0,0,0,0|1,0,1]=4 104 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.50 O[C@@H]1COC(O)[C@@H]1O HMDB0002649 [0,0,1,1,0,0|2,0,0]=4 106 B10R2.71 OC1CC2CCC(C1)N2 HMDB0031667 [0,1,0,1,0,0|2,0,0]=4 107 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,0,1,0|0,0,2]=4 108 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,0,1,0|0,0,0]=2 109 B6R1.2 CC1NCCS1 HMDB0031682 [1,0,0,0,1,0|1,1,0]=4 110 B6R1.2 CC1SCCS1 HMDB0036179 [1,0,0,0,1,0|1,1,0]=4 111 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,0,1,0|0,0,2]=4 112 B6R1.2 SC1CCCC1 HMDB0039771 [1,0,0,0,1,0|0,1,0]=3 113 B6R1.2 SC1CCCS1 HMDB0040250 [1,0,0,0,1,0|0,2,0]=4