0 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [0,0,0,0,0,0|0,0,2]=2 4 B7R1.3 CC1=CC=CCC1 HMDB0031532 [1,0,0,0,0,0|1,0,2]=4 5 B7R1.3 CC1=CCCC=C1 HMDB0032395 [1,0,0,0,0,0|1,0,2]=4 6 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [1,0,0,0,0,0|1,0,0]=2 7 B7R1.3 OC1=CC=CC=N1 HMDB0013751 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [0,1,0,0,0,0|1,0,1]=3 9 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [0,1,0,0,0,0|0,0,0]=1 14 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [0,1,0,0,0,0|0,0,1]=2 17 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [0,1,0,0,0,0|0,0,0]=1 18 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,1,0,0,0,0|1,0,1]=3 25 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,0,1,0,0,0|2,0,0]=3 27 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,0,1,0,0,0|2,0,0]=3 28 B7R1.2 OC1C=CC(O)=N1 HMDB0030276 [0,0,0,0,1,0|1,0,1]=3 29 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,0,1,0,0,0|1,0,1]=4 30 B6R1.1 C1=CN=CN=C1 HMDB0003361 [2,0,0,0,0,0|2,0,0]=4 31 B6R1.1 [C]1=CC=CC=C1 HMDB0031789 [2,0,0,0,0,0|0,0,1]=3 32 B6R1.1 [C]1=CC=CC=C1 HMDB0031790 [2,0,0,0,0,0|0,0,1]=3 33 B6R1.1 [C]1=CC=CC=C1 HMDB0031807 [2,0,0,0,0,0|0,0,1]=3 34 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,1,1,0,0,0|2,0,0]=4 35 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,1,1,0,0,0|2,0,0]=4 36 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [1,1,0,0,0,0|1,0,0]=3 37 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [1,1,0,0,0,0|2,0,0]=4 38 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [1,1,0,0,0,0|0,0,1]=3 39 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [1,1,0,0,0,0|0,1,0]=3 40 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [1,1,0,0,0,0|0,0,0]=2 42 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [1,1,0,0,0,0|0,0,0]=2 43 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [1,1,0,0,0,0|0,1,0]=3 44 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [1,1,0,0,0,0|0,0,1]=3 45 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [1,1,0,0,0,0|0,0,0]=2 46 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [1,1,0,0,0,0|0,0,0]=2 47 B8R1.5 O[C@@H]1C=CC=C[C@H]1O HMDB0001164 [1,1,0,0,0,0|0,0,2]=4 48 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [0,2,0,0,0,0|1,0,0]=3 49 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [0,2,0,0,0,0|1,0,1]=4 50 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [0,2,0,0,0,0|1,0,0]=3 51 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [0,2,0,0,0,0|0,0,0]=2 52 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [0,2,0,0,0,0|1,0,0]=3 53 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [0,2,0,0,0,0|1,0,0]=3 54 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [0,2,0,0,0,0|0,0,1]=3 55 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [0,2,0,0,0,0|0,0,0]=2 56 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [0,2,0,0,0,0|0,0,1]=3 58 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [0,2,0,0,0,0|0,0,0]=2 59 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,2,0,0,0,0|1,0,1]=4 62 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,2,0,0,0,0|1,0,0]=3 64 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [0,2,0,0,0,0|1,0,0]=3 65 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,2,0,0,0,0|0,0,0]=2 66 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [0,2,0,0,0,0|1,0,0]=3 67 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [0,2,0,0,0,0|0,0,1]=3 68 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,2,0,0,0,0|1,0,1]=4 69 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,2,0,0,0,0|1,0,1]=4 70 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HMDB0032544 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.22 CC1=CC(O)=CC(C)=C1O HMDB0032137 [0,2,0,0,0,0|0,0,0]=2 74 B10R1.22 OC1=C(Br)C=C(Br)C=C1Br HMDB0029642 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [0,2,0,0,0,0|0,0,2]=4 77 B10R1.30 OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [0,2,0,0,0,0|0,0,0]=2 78 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [0,2,0,0,0,0|2,0,0]=4 79 B6R1.2 CC1=CC=CO1 HMDB0013749 [1,0,0,0,1,0|2,0,0]=4 80 B6R1.2 SC1=CC=CS1 HMDB0029720 [1,0,0,0,1,0|1,1,0]=4 81 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,1,0,0,1|2,0,0]=4