0 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.166 CC(C)=C1CCC(C)=CC1=O HMDB0036999 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.166 CC(C)C1CC=C(C)CC1O HMDB0037016 [0,0,0,0,0,0|0,0,4]=4 4 B11R1.166 CC(C)C1CCC(C)=CC1=O HMDB0034975 [0,0,0,0,0,0|0,0,4]=4 5 B11R1.166 CC(C)C1CCC(C)=CC1O HMDB0035838 [0,0,0,0,0,0|0,0,4]=4 6 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035737 [0,0,0,0,0,0|0,0,4]=4 7 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035738 [0,0,0,0,0,0|0,0,4]=4 8 B11R1.166 CC(C)[C@@H]1CCC(C)=C[C@H]1O HMDB0035861 [0,0,0,0,0,0|0,0,4]=4 9 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.13 CC(C)C1=CCC(C)=CC1 HMDB0005806 [1,0,0,0,0,0|0,0,2]=3 16 B10R1.13 CC(C)C1=CCC(C)C=C1 HMDB0038150 [1,0,0,0,0,0|0,0,2]=3 17 B10R1.13 CC(C)C1=NC=C(C)N=C1 HMDB0037151 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [1,0,0,0,0,0|0,0,2]=3 19 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [1,0,0,0,0,0|0,0,2]=3 22 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [1,0,0,0,0,0|0,0,2]=3 23 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.25 CCC1=C(C)N=C(C)C=N1 HMDB0040299 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [1,0,0,0,0,0|0,0,0]=1 27 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.61 CC(C)C1=CC=CC=C1C HMDB0037050 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,0,0,0,0,0|0,0,0]=1 32 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O HMDB0034732 [0,1,0,0,0,0|0,0,1]=2 34 B12R1.452 CC(O)C1=COC(CO)=CC1=O HMDB0038761 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.893 CC(C)C1=C(O)C(=O)C(C)CC1 HMDB0037014 [0,1,0,0,0,0|0,0,3]=4 36 B12R1.1000 CC(=O)C1=C(O)C=C(C)OC1=O HMDB0033129 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O HMDB0029644 [0,1,0,0,0,0|2,0,1]=4 38 B12R2.612 CC1CCC2=C1N=CC(C)=N2 HMDB0039831 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,0,0,0,1,0|2,0,1]=4 40 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,0,0,0,1,0|0,0,3]=4 41 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [1,0,1,0,0,0|0,0,2]=4 42 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [1,0,1,0,0,0|0,0,2]=4 43 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|1,0,1]=4 44 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.1 CCC1=NC=C(C)N=C1 HMDB0041568 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.6 CC(=O)C1=CC=CC=C1 HMDB0033910 [2,0,0,0,0,0|1,0,1]=4 54 B9R1.6 CC(C)C1=CC=CC=C1 HMDB0034029 [2,0,0,0,0,0|0,0,0]=2 55 B9R1.6 CC(C)C1=CN=CC=N1 HMDB0041570 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.15 CCC1=CC=CC=C1S HMDB0041361 [2,0,0,0,0,0|0,1,0]=3 59 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [2,0,0,0,0,0|1,1,0]=4 61 B9R1.15 CSC1=CC=CC=C1O HMDB0041281 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.15 OC1=CC=CC=C1C=O HMDB0034170 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.69 CC1=C(N)C=C(N)C=C1 HMDB0041799 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [2,0,0,0,0,0|0,0,0]=2 65 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.3 COC1=NC=C(N=C1)C(C)C HMDB0040052 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [1,1,0,0,0,0|0,0,0]=2 72 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [1,1,0,0,0,0|0,0,1]=3 74 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [1,1,0,0,0,0|0,0,0]=2 75 B11R1.53 COC1=CC=CC=C1C(C)=O HMDB0032569 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.53 COC1=NC=CN=C1C(C)C HMDB0040340 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.156 CC(=O)C1=C(O)C=CC=C1O HMDB0029660 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 HMDB0032132 [1,1,0,0,0,0|0,0,0]=2 82 B11R1.222 COC(=O)C1=CC=CC=C1O HMDB0034172 [1,1,0,0,0,0|1,0,1]=4 83 B13R1.163 CC(C(C)=O)C1=C(O)C=C(C)C=C1 HMDB0038179 [0,1,0,0,0,1|1,0,1]=4 84 B13R1.653 COC1=CC(O)=C(CC(C)O)C=C1 HMDB0036522 [0,1,0,0,0,1|1,0,0]=3 85 B13R1.120 CC(C)C1=CC(O)=C(C=C1)C(C)C HMDB0032579 [0,2,0,0,0,0|0,0,0]=2 86 B13R1.428 COC1=CC(O)=C(C(C)=O)C(O)=C1 HMDB0029646 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.424 CC1=C(C=O)C(C)(C)C=CC1 HMDB0035172 [0,0,1,1,0,0|0,0,2]=4 88 B11R1.424 CC1=C(C=O)C(C)(C)CC=C1 HMDB0036061 [0,0,1,1,0,0|0,0,2]=4 89 B11R2.36 OC1=CC2=C(OCO2)C=C1 HMDB0033812 [1,0,0,1,0,0|2,0,0]=4 90 B13R2.5190 CC1C(=O)OC2=C1C=CC(C)=C2 HMDB0038893 [0,1,0,1,0,0|0,0,1]=3 91 B9R1.35 CC(C)C1=CC=C(C)O1 HMDB0033238 [1,0,0,0,1,0|1,0,0]=3 92 B9R1.35 CC(C)C1=CSC(C)=N1 HMDB0040100 [1,0,0,0,1,0|2,0,0]=4 93 B9R1.35 CC(C)C1=NC(C)=CS1 HMDB0037156 [1,0,0,0,1,0|2,0,0]=4 94 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,0,0,0,0,1|1,0,1]=4