0 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [0,0,0,0,0,0|0,1,0]=1 1 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [0,0,0,0,0,0|1,1,1]=3 3 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [1,0,0,0,0,0|1,1,0]=3 6 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [1,0,0,0,0,0|0,1,0]=2 7 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,0,0,0,0,0|0,0,2]=3 8 B7R1.1 SCC1=CC=CS1 HMDB0031853 [1,0,0,0,0,0|0,2,1]=4 9 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,0,0,0,0,0|1,0,2]=4 10 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,0,0,0|0,0,1]=2 11 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.7 CN1C=NC(CC=O)=C1 HMDB0004181 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [0,0,1,0,0,0|2,0,0]=3 14 B7R0.4 CC(C)=CCOC=O HMDB0032490 [0,0,1,0,0,0|2,0,1]=4 15 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [0,0,1,0,0,0|2,0,1]=4 16 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [0,0,0,0,0,1|1,0,0]=2 17 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [0,0,0,0,0,1|2,0,1]=4 18 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [0,0,0,0,0,1|3,0,0]=4 19 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [0,0,0,0,0,1|3,0,0]=4 20 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [0,0,0,0,0,1|2,0,0]=3 21 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [0,0,0,0,0,1|1,0,0]=2 22 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,0,1,0,0,0|1,0,1]=4 23 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,0,1,0,0,0|1,0,1]=4 24 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,0,1,0,0,0|0,0,1]=3 25 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,0,1,0,0,0|1,0,1]=4 26 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [1,0,1,0,0,0|1,0,1]=4 27 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,1,0,0,0|0,0,1]=3 28 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,0,1,0,0,0|1,0,1]=4 29 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,1,0,0,0|0,0,2]=4 30 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,1,0,0,0|0,0,2]=4 31 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,1,0,0,0|0,0,2]=4 32 B6R1.2 CC1=CC=CO1 HMDB0013749 [2,0,0,0,0,0|0,0,0]=2 33 B6R1.2 O=C1OCC=C1 HMDB0032330 [2,0,0,0,0,0|0,0,1]=3 34 B6R1.2 SC1=CC=CS1 HMDB0029720 [2,0,0,0,0,0|0,2,0]=4 35 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,1,1,0,0,0|0,0,1]=3 36 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [0,1,1,0,0,0|1,0,1]=4 37 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,1,1,0,0,0|1,0,0]=3 38 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,1,1,0,0,0|1,0,1]=4 39 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,1,0,0,0,0|1,0,0]=3 40 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [1,1,0,0,0,0|0,0,0]=2 41 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.8 O=CCC1=CN=CN1 HMDB0003905 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [1,1,0,0,0,0|0,0,1]=3 44 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [1,1,0,0,0,0|0,0,2]=4 45 B8R1.50 CN1C(C)=CC=C1C HMDB0029722 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [0,1,0,0,0,1|1,0,0]=3 47 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [0,1,0,0,0,1|1,0,0]=3 49 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [0,1,0,0,0,1|1,0,0]=3 50 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,1,0,0,0,1|1,0,0]=3 53 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,1,0,0,0,1|1,0,0]=3 54 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,1,0,0,0,1|1,0,0]=3 58 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,1,0,0,0,1|1,0,0]=3 59 B10R1.30 OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.113 C[N+]1=CC(=CC=C1)C([O-])=O HMDB0000875 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.113 C[N+]1=CC=CC(=C1)C(N)=O HMDB0000699 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.113 OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [0,1,0,0,0,1|1,0,0]=3 64 B10R1.16 CC1=CC=C(O1)/C=C/C=O HMDB0032400 [0,2,0,0,0,0|0,0,0]=2 65 B10R1.31 OCC1=CC=C(O1)C(O)=O HMDB0002432 [0,2,0,0,0,0|0,0,0]=2 66 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 HMDB0032159 [0,2,0,0,0,0|0,0,0]=2 67 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,2,0,0,0,0|0,1,0]=3 69 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [0,0,1,1,0,0|1,0,1]=4 70 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,0,1,1,0,0|2,0,0]=4 71 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [0,0,1,1,0,0|1,0,0]=3 72 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [0,0,1,1,0,0|2,0,0]=4 73 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [0,0,1,1,0,0|2,0,0]=4 74 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [0,0,1,1,0,0|0,0,2]=4 75 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [0,0,1,1,0,0|1,0,1]=4 76 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [0,0,1,1,0,0|0,0,2]=4