0 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.3 CC1=CN=C(C)C=N1 HMDB0035289 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [1,0,0,0,0,0|1,0,0]=2 3 B7R1.3 CC1=CC=CCC1 HMDB0031532 [1,0,0,0,0,0|1,0,2]=4 4 B7R1.3 CC1=CCCC=C1 HMDB0032395 [1,0,0,0,0,0|1,0,2]=4 5 B7R1.3 CC1=CN=CC=N1 HMDB0033112 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.3 SC1=CC=CC=C1 HMDB0033746 [1,0,0,0,0,0|0,1,0]=2 7 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [0,1,0,0,0,0|1,0,1]=3 8 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [0,1,0,0,0,0|1,0,0]=2 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 CCC1=NC=C(C)C=C1 HMDB0040041 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.1 COC1=NC=C(C)N=C1 HMDB0040141 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.69 CC1=C(N)C=C(N)C=C1 HMDB0041799 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,0,1,0,0,0|2,0,0]=3 23 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,0,1,0,0,0|2,0,0]=3 24 B7R1.2 CC1=CC(C)=CO1 HMDB0032965 [0,0,0,0,1,0|3,0,0]=4 25 B7R1.2 CC1=CC(C)=CS1 HMDB0032978 [0,0,0,0,1,0|3,0,0]=4 26 B7R1.2 CC1=CC(S)=CO1 HMDB0039798 [0,0,0,0,1,0|2,1,0]=4 27 B7R1.2 CC1=CC(S)=CS1 HMDB0039788 [0,0,0,0,1,0|2,1,0]=4 28 B7R1.2 CC1=CC=C(C)N1 HMDB0032973 [0,0,0,0,1,0|3,0,0]=4 29 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [0,0,0,0,1,0|3,0,0]=4 30 B7R1.2 CC1=CC=C(C)S1 HMDB0032979 [0,0,0,0,1,0|3,0,0]=4 31 B7R1.2 OC1C=CC(O)=N1 HMDB0030276 [0,0,0,0,1,0|1,0,1]=3 32 B6R0.6 C/C=C/C=C\C=O HMDB0034729 [1,0,1,0,0,0|0,0,2]=4 33 B6R1.1 C1=CN=CC=N1 HMDB0034176 [2,0,0,0,0,0|2,0,0]=4 34 B6R1.1 [C]1=CC=CC=C1 HMDB0031789 [2,0,0,0,0,0|0,0,1]=3 35 B6R1.1 [C]1=CC=CC=C1 HMDB0031790 [2,0,0,0,0,0|0,0,1]=3 36 B6R1.1 [C]1=CC=CC=C1 HMDB0031807 [2,0,0,0,0,0|0,0,1]=3 37 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,1,1,0,0,0|2,0,0]=4 38 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,1,1,0,0,0|2,0,0]=4 39 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [1,1,0,0,0,0|1,0,0]=3 40 B8R1.2 C=CC1=CC=CC=C1 HMDB0034240 [1,1,0,0,0,0|1,0,0]=3 41 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [1,1,0,0,0,0|0,0,0]=2 43 B8R1.2 COC1=CN=CC=N1 HMDB0033156 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [1,1,0,0,0,0|0,1,0]=3 45 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [1,1,0,0,0,0|1,0,0]=3 46 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [1,1,0,0,0,0|0,1,0]=3 47 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [1,1,0,0,0,0|1,1,0]=4 48 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.4 CC1=CC=CC(C)=N1 HMDB0032972 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [1,1,0,0,0,0|0,0,0]=2 51 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [1,1,0,0,0,0|0,1,0]=3 52 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [1,1,0,0,0,0|0,0,0]=2 53 B8R1.5 OC1=CC=COC1=O HMDB0032994 [1,1,0,0,0,0|1,0,0]=3 54 B8R1.50 OC1=C(O)C(=O)C=C1 HMDB0039437 [0,1,0,0,1,0|0,0,1]=3 55 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [0,2,0,0,0,0|1,0,0]=3 56 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [0,2,0,0,0,0|1,0,0]=3 58 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [0,2,0,0,0,0|0,0,0]=2 59 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.1 OC1=CC=C(CC=C)C=C1 HMDB0034107 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.1 OC1=CC=C(SC#N)C=C1 HMDB0040578 [0,2,0,0,0,0|0,1,0]=3 62 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [0,2,0,0,0,0|1,0,1]=4 63 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [0,2,0,0,0,0|0,0,1]=3 64 B10R1.3 COC1=CC=C(CO)C=C1 HMDB0034241 [0,2,0,0,0,0|0,0,0]=2 65 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [0,2,0,0,0,0|0,0,0]=2 66 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [0,2,0,0,0,0|1,0,0]=3 67 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,2,0,0,0,0|1,0,1]=4 69 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,2,0,0,0,0|1,0,1]=4 73 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,2,0,0,0,0|1,0,1]=4 74 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.176 CCC1=CC(O)=C(O)C=C1 HMDB0040174 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.176 CCC1=CC=C(O)C(C)=C1 HMDB0038984 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.176 OCC1=CC(=O)C(O)=CO1 HMDB0032923 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HMDB0032544 [0,2,0,0,0,0|1,0,0]=3 80 B10R1.22 CC1=CC(O)=CC(C)=C1O HMDB0032137 [0,2,0,0,0,0|0,0,0]=2 81 B10R1.22 OC1=C(Br)C=C(Br)C=C1Br HMDB0029642 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.30 CCC1=C(O)C=CC(C)=C1 HMDB0038988 [0,2,0,0,0,0|1,0,0]=3 83 B10R1.30 CCC1=CC(O)=CC=C1C HMDB0038986 [0,2,0,0,0,0|1,0,0]=3 84 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [0,2,0,0,0,0|0,0,2]=4 86 B10R1.118 OC1=NC(Cl)=C(Cl)C=C1Cl HMDB0039853 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.119 CC1=C(O)C(=O)C(O)=CO1 HMDB0032988 [0,2,0,0,0,0|2,0,0]=4 89 B6R1.2 CC1=CC=CN1 HMDB0033114 [1,0,0,0,1,0|2,0,0]=4 90 B6R1.2 CC1=CC=CS1 HMDB0033118 [1,0,0,0,1,0|2,0,0]=4 91 B6R1.2 CC1=CSC=C1 HMDB0033119 [1,0,0,0,1,0|2,0,0]=4 92 B6R1.2 CN1C=CC=C1 HMDB0033113 [1,0,0,0,1,0|2,0,0]=4 93 B6R1.2 SC1=CC=CS1 HMDB0029720 [1,0,0,0,1,0|1,1,0]=4 94 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,1,0,0,1|2,0,0]=4