0 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.1 CCCC1=NC=C(C)N=C1 HMDB0040000 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.1 OC1=CC=C(CC=C)C=C1 HMDB0034107 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.1 OC1=CC=C(SC#N)C=C1 HMDB0040578 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.1 CCC1=NC=C(C)N=C1 HMDB0041568 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CCCC1=CN=CC=N1 HMDB0041571 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CSSC1=CC=CC=C1 HMDB0040939 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 N#CCC1=CC=CC=C1 HMDB0034171 [1,0,0,0,0,0|0,0,2]=3 24 B9R1.8 OCCC1=CC=CC=C1 HMDB0033944 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 SCCC1=CN=CC=N1 HMDB0037169 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.1 CCOCC1=CC=C(O)C=C1 HMDB0039956 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.1 OC1=CC=C(CN=C=S)C=C1 HMDB0032580 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.1 OCCCC1=CC=C(O)C=C1 HMDB0032599 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 HMDB0000020 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.83 CCOC1=CC=C(C=O)C=C1 HMDB0033970 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.83 COC1=CC=C(CC=C)C=C1 HMDB0034121 [0,1,0,0,0,0|2,0,1]=4 37 B11R2.36 OC1=CC2=C(OCO2)C=C1 HMDB0033812 [0,0,0,1,0,0|3,0,0]=4 38 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|2,0,0]=4 39 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [1,0,1,0,0,0|1,0,1]=4 40 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,2]=4 41 B8R1.2 C=CC1=CC=CC=C1 HMDB0034240 [2,0,0,0,0,0|0,0,2]=4 42 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|0,0,0]=2 47 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.3 COC1=CC=C(CO)C=C1 HMDB0034241 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.176 CCC1=CC(O)=C(O)C=C1 HMDB0040174 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.176 CCC1=CC=C(O)C(C)=C1 HMDB0038984 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|0,0,1]=3 70 B10R1.15 OC(C#N)C1=CC=CC=C1 HMDB0034666 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.17 CCCCC1=CN=CC=C1 HMDB0032934 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.17 CSSCC1=CC=CC=C1 HMDB0040590 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.17 N#CCCC1=CC=CC=C1 HMDB0034236 [1,1,0,0,0,0|0,0,1]=3 76 B10R1.17 N#CSCC1=CC=CC=C1 HMDB0034273 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.17 O=CCCC1=CC=CC=C1 HMDB0033716 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.17 O=COCC1=CC=CC=C1 HMDB0041485 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.17 OCCCC1=CC=CC=C1 HMDB0033962 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.17 OCCOC1=CC=CC=C1 HMDB0041607 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.17 S=C=NCC1=CC=CC=C1 HMDB0033969 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.18 CC(C)CC1=CC=CC=N1 HMDB0037291 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.18 CC(C)CC1=CN=CC=C1 HMDB0037287 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.16 OCCC(=O)C1=CC=C(O)C=C1 HMDB0040645 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 HMDB0036183 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HMDB0033723 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HMDB0004366 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0032020 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 HMDB0037685 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 HMDB0032135 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.286 COC1=C(O)C=CC(CCO)=C1 HMDB0038925 [0,2,0,0,0,0|2,0,0]=4 95 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|2,0,0]=4 96 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|2,0,0]=4 97 B8R1.8 CCCC1=CC=CO1 HMDB0040277 [1,0,0,0,1,0|2,0,0]=4 98 B8R1.8 CCCC1=CC=CS1 HMDB0033160 [1,0,0,0,1,0|2,0,0]=4