0 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,0,0,0,0,0|1,0,3]=4 3 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,0,0,0,0,0|1,0,3]=4 4 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,0,0,0,0,0|1,0,0]=2 5 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,1,0,0,0,0|1,0,2]=4 8 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.132 CCC1=C(O)C(=O)CO1 HMDB0031847 [0,1,0,0,0,0|0,0,0]=1 11 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,0,1,0,0,0|1,0,2]=4 13 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,0,1,0,0,0|1,0,2]=4 14 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,0,1,0,0,0|2,0,1]=4 15 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,1,0,0,0|2,0,1]=4 16 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,0,1,0,0,0|1,0,2]=4 17 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,0,1,0,0,0|1,0,2]=4 18 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,0,1,0,0,0|1,0,2]=4 19 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,0,1,0,0,0|2,0,1]=4 20 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,0,0,0,0,1|2,0,0]=3 21 B9R1.3 CC1=C(O)C(=O)C=CO1 HMDB0030776 [0,0,0,0,0,1|0,0,1]=2 22 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [0,0,0,0,0,1|2,0,1]=4 23 B9R1.69 CC1=C(N)NC(=O)N=C1 HMDB0002894 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,0,0,0,0,1|2,0,1]=4 25 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,0,0,0,0,1|1,0,2]=4 26 B9R1.69 CC1=CNC(=O)NC1=O HMDB0000262 [0,0,0,0,0,1|2,0,1]=4 27 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,0,0,0,0,1|2,0,1]=4 28 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,0,1,0,0,0|2,0,0]=4 29 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,1,0,0,0|1,0,1]=4 30 B6R0.4 CCNCC(O)=O HMDB0041945 [1,0,1,0,0,0|1,0,1]=4 31 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,1,0,0,0|0,0,1]=3 32 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,0,1,0,0,0|1,0,1]=4 34 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,0,1,0,0,0|2,0,0]=4 35 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [1,0,1,0,0,0|2,0,0]=4 36 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,0,1,0,0,0|1,0,0]=3 37 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,0,1,0,0,0|1,0,0]=3 38 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,0,1,0,0,0|1,0,1]=4 39 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,0,1,0,0,0|0,0,2]=4 40 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [1,0,1,0,0,0|0,0,2]=4 41 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,0,1,0,0,0|1,0,1]=4 42 B6R0.3 CCC(O)C(O)=O HMDB0000008 [1,0,1,0,0,0|0,0,2]=4 43 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,0,1,0,0,0|1,0,1]=4 44 B6R0.3 COC(=O)C(C)=C HMDB0032385 [1,0,1,0,0,0|2,0,0]=4 45 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [1,0,1,0,0,0|1,1,0]=4 46 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [1,0,1,0,0,0|1,0,1]=4 47 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [1,0,1,0,0,0|1,0,0]=3 48 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,0,1,0,0,0|1,0,1]=4 49 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,0,1,0,0,0|0,0,2]=4 51 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,0,1,0,0,0|1,0,1]=4 52 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,0,1,0,0,0|1,0,1]=4 53 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,0,1,0,0,0|1,0,0]=3 54 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,0,1,0,0,0|2,0,0]=4 55 B6R1.2 CC1=CC=CO1 HMDB0013749 [2,0,0,0,0,0|0,0,1]=3 56 B6R1.2 CC1CCC=C1 HMDB0031544 [2,0,0,0,0,0|1,0,1]=4 57 B6R1.2 O=C1CCOC1 HMDB0002523 [2,0,0,0,0,0|0,0,2]=4 58 B6R1.2 O=C1CN=CN1 HMDB0004363 [2,0,0,0,0,0|2,0,0]=4 59 B6R1.2 O=C1OCC=C1 HMDB0032330 [2,0,0,0,0,0|1,0,0]=3 60 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,1,1,0,0,0|2,0,0]=4 61 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,1,1,0,0,0|1,0,1]=4 62 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,1,1,0,0,0|2,0,0]=4 63 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,1,1,0,0,0|2,0,0]=4 64 B8R0.37 CC(=O)C(C)(O)C(O)=O HMDB0006833 [0,1,1,0,0,0|1,0,1]=4 65 B8R0.37 CC(=O)[C@](C)(O)C(O)=O HMDB0006855 [0,1,1,0,0,0|1,0,1]=4 66 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [1,1,0,0,0,0|0,0,0]=2 68 B10R1.2 CCC1=C(O)C(=O)C=CO1 HMDB0031735 [0,1,0,0,0,1|0,0,1]=3 69 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,1,0,0,0,1|1,0,1]=4 70 B10R1.256 CCC1=C(O)C(=O)CC1C HMDB0036176 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.34 CCC1CC(=O)C(O)=C1C HMDB0039673 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.191 CC1C(C)C(=O)C(O)=C1C HMDB0039652 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.271 CC1=C(O)C(=O)CC1(C)C HMDB0040526 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,0,0,1|1,0,0]=3