0 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 HMDB0011743 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.36 CC(N(C)C)C1=CC=CC=C1 HMDB0032243 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.36 NC(C(O)=O)C1=CC=CC=C1 HMDB0002210 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 HMDB0000703 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.86 CC(=O)OC1=CC=CC=C1C HMDB0032073 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.86 CC(C)OC1=CC=CC=C1O HMDB0041804 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.509 CC(C)(O)CC1=CC=CC=C1 HMDB0031570 [0,1,0,0,0,0|1,0,0]=2 22 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [0,0,0,1,0,0|1,0,2]=4 23 B11R2.10 S=C1NC2=C(S1)C=CC=C2 HMDB0030524 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,0,0,0,1,0|0,0,0]=1 25 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [0,0,0,0,1,0|1,0,0]=2 26 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [0,0,0,0,1,0|1,0,0]=2 27 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [0,0,0,0,1,0|2,0,0]=3 28 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [0,0,0,0,1,0|1,0,1]=3 29 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,0,0,0,1,0|2,0,1]=4 30 B9R1.13 CC(C)CC1=NC=CS1 HMDB0031862 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [0,0,0,0,0,1|1,0,2]=4 32 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [0,0,0,0,0,1|1,0,1]=3 33 B11R1.91 CC(C)COC1=CN=CC=N1 HMDB0032381 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [0,0,0,0,0,1|1,0,1]=3 35 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [0,0,0,0,0,1|1,0,0]=2 36 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [0,0,0,0,0,1|2,0,1]=4 37 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [0,0,0,0,0,1|2,0,1]=4 38 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|1,0,0]=3 39 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [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 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,1,0,0,0,0|0,0,2]=4 46 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|0,0,0]=2 56 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|0,0,1]=3 59 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|0,0,1]=3 62 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,1,0,0,0,0|0,0,2]=4 67 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,1,0,0,1,0|1,0,1]=4 68 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,1,0,0,1,0|1,0,1]=4 69 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,1,0,0,1,0|1,0,0]=3 70 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 HMDB0001466 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.28 [CH2]C(C)(C)C1=CC=CC=C1 HMDB0031788 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [0,1,0,0,1,0|1,0,1]=4 73 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,1,0,0,1,0|1,0,1]=4 74 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [0,1,0,0,1,0|1,0,0]=3 75 B10R1.27 N[C@H](CO)CC1=CN=CN1 HMDB0003431 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,1,0,0,0,1|1,0,1]=4 77 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,1,0,0,0,1|1,0,1]=4 78 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [0,1,0,0,0,1|1,0,1]=4 79 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 HMDB0032038 [0,1,0,0,0,1|1,0,1]=4 80 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [0,1,0,0,0,1|1,0,1]=4 81 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HMDB0032618 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.118 COC(CC1=CC=CC=C1)OC HMDB0032615 [0,2,0,0,0,0|1,0,0]=3 87 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|1,0,0]=3 88 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,1,0,0|0,0,2]=4 89 B12R2.18 CC1C(O)CC2=CC=NC=C12 HMDB0030175 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.8 CSCC1=CSC=C1 HMDB0032429 [1,0,0,0,1,0|2,0,0]=4 91 B8R1.8 NCCC1=CNC=N1 HMDB0000870 [1,0,0,0,1,0|2,0,0]=4