0 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.4 CCOC1=C(C)N=CC=N1 HMDB0031850 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.15 COC1=C(C)N=CC=N1 HMDB0031852 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.86 CC(=O)OC1=CC=CC=C1C HMDB0032073 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.86 CC(C)OC1=CC=CC=C1O HMDB0041804 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.182 CCCC1=C(C)N=CC(C)=N1 HMDB0031841 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.45 CC/C=C\C/C=C\CCO HMDB0030957 [0,0,1,0,0,0|1,0,2]=4 19 B9R0.45 CC/C=C\C=C/C=C\C=O HMDB0032441 [0,0,1,0,0,0|2,0,1]=4 20 B11R2.20 C1CC2=C(CN1)C=CC=C2 HMDB0012489 [0,0,0,1,0,0|0,0,0]=1 21 B9R1.33 CN1C=NC=C1CCN HMDB0001861 [0,0,0,0,1,0|2,0,0]=3 22 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [1,0,1,0,0,0|1,0,1]=4 23 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|1,0,1]=4 24 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,2]=4 25 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|1,0,1]=4 28 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|1,0,1]=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|2,0,0]=4 36 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|0,0,2]=4 38 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,1,0,0,0,0|0,0,1]=3 52 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.2 CCC1=C(O)C(=O)C=CO1 HMDB0031735 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.20 COC1=CC=CC=C1OC HMDB0032139 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.308 NCCC(=O)C1=C(N)C=CC=C1 HMDB0012246 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.374 CCCCC1=C(O)C=CC(C)=C1 HMDB0032060 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HMDB0001537 [0,2,0,0,0,0|1,0,0]=3 65 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|1,0,0]=3 66 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,1,0,0|0,0,2]=4 67 B12R2.1081 CC1=CC=NC2=C1CCCC2 HMDB0029709 [0,1,0,1,0,0|2,0,0]=4 68 B12R2.196 CC1CCC2=C(C)C=NC=C12 HMDB0030346 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.1 NCC1=CNC2=CC=CC=C12 HMDB0029740 [0,1,0,1,0,0|0,0,2]=4 70 B12R2.18 CC1C(O)CC2=CC=NC=C12 HMDB0030175 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.8 NCCC1=CNC=N1 HMDB0000870 [1,0,0,0,1,0|2,0,0]=4 72 B8R1.11 CCC1=C(C)N=CS1 HMDB0029732 [1,0,0,0,1,0|2,0,0]=4