0 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,0,0,0,0,0|0,1,2]=4 6 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,0,0,0,0,0|0,0,2]=3 10 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,0,0,0,0,0|0,1,0]=2 11 B11R1.1 CNCCC1=CC=C(O)C=C1 HMDB0003633 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.1 OC/C=C/C1=CC=C(O)C=C1 HMDB0003654 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.1 OCCCC1=CC=C(O)C=C1 HMDB0032599 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.16 CNCC(O)C1=CC=CC=C1 HMDB0001387 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.91 CC(C)COC1=CN=CC=N1 HMDB0032381 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [0,1,0,0,0,0|0,0,1]=2 22 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [0,0,0,1,0,0|1,0,2]=4 23 B11R2.20 C1CC2=C(CN1)C=CC=C2 HMDB0012489 [0,0,0,1,0,0|3,0,0]=4 24 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [1,0,1,0,0,0|0,0,2]=4 25 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|2,0,0]=4 26 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,2]=4 27 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|0,0,2]=4 30 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|0,1,0]=3 31 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [0,1,1,0,0,0|2,0,0]=4 32 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|0,0,2]=4 34 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [1,1,0,0,0,0|0,0,2]=4 39 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.4 CCOC1=C(C)N=CC=N1 HMDB0031850 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,1,0,0,0,0|0,0,2]=4 45 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,1,0,0,0,0|0,0,2]=4 53 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,1,0,0,0,0|0,0,1]=3 54 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.71 COC1=CC=C(/C=C/CO)C=C1 HMDB0032586 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HMDB0031208 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HMDB0031761 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.107 CC(CC(O)=O)C1=CC=CC=C1 HMDB0001955 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.308 NCCC(=O)C1=C(N)C=CC=C1 HMDB0012246 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.374 CCCCC1=C(O)C=CC(C)=C1 HMDB0032060 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.8 CCCCOCC1=CC=CC=C1 HMDB0031311 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.8 OCCCCCC1=CC=CC=C1 HMDB0031624 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.252 OC(=O)CCCC1=CC=CC=C1 HMDB0000543 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.252 OC(=O)CCCC1=CC=CN=C1 HMDB0001007 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [0,2,0,0,0,0|1,0,0]=3 73 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|0,0,0]=2