0 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,0,0,0,0,0|1,0,2]=3 1 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,0,0,0,0|1,0,2]=3 2 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.3 OC1=CC=CC=N1 HMDB0013751 [0,0,0,0,0,0|1,0,0]=1 4 B6R1.1 C1=CN=CN=C1 HMDB0003361 [1,0,0,0,0,0|2,0,0]=3 5 B6R1.1 [C]1=CC=CC=C1 HMDB0031789 [1,0,0,0,0,0|0,0,1]=2 6 B6R1.1 [C]1=CC=CC=C1 HMDB0031790 [1,0,0,0,0,0|0,0,1]=2 7 B6R1.1 [C]1=CC=CC=C1 HMDB0031807 [1,0,0,0,0,0|0,0,1]=2 8 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [0,1,0,0,0,0|1,0,0]=2 9 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [0,1,0,0,0,0|0,0,1]=2 12 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [0,1,0,0,0,0|0,1,0]=2 13 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [0,1,0,0,0,0|0,0,0]=1 15 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [0,1,0,0,0,0|0,0,0]=1 16 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [0,1,0,0,0,0|0,0,1]=2 17 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [0,1,0,0,0,0|0,0,0]=1 19 B8R1.4 NC1=CC=NC(=O)N1 HMDB0000630 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.4 O=C1NC=CC(=O)N1 HMDB0000300 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [0,1,0,0,0,0|0,0,0]=1 22 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [0,1,0,0,0,0|0,1,0]=2 23 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [0,1,0,0,0,0|0,0,1]=2 24 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [0,1,0,0,0,0|0,0,0]=1 25 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [0,1,0,0,0,0|0,0,0]=1 26 B8R1.5 O[C@@H]1C=CC=C[C@H]1O HMDB0001164 [0,1,0,0,0,0|0,0,2]=3 27 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,0,1,0,0,0|1,0,2]=4 28 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,0,1,0,0,0|1,0,2]=4 29 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,0,1,0,0,0|2,0,1]=4 30 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,0,0,0,1,0|2,0,0]=3 31 B6R1.2 NC1=CN=CN1 HMDB0003929 [0,0,0,0,1,0|3,0,0]=4 32 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,0,1,0|1,0,2]=4 33 B6R1.2 SC1=CC=CS1 HMDB0029720 [0,0,0,0,1,0|1,1,0]=3 34 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,1,0,0,0|1,0,1]=4 35 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,1,0,0,0|1,0,1]=4 36 B5R0.2 C=C/C=C\C=O HMDB0031597 [1,0,1,0,0,0|0,0,1]=3 37 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [0,1,1,0,0,0|1,0,0]=3 38 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,1,1,0,0,0|2,0,0]=4 39 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,1,1,0,0,0|2,0,0]=4 40 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [0,1,1,0,0,0|0,0,2]=4 41 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [0,1,1,0,0,0|0,0,2]=4 42 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [0,1,1,0,0,0|0,0,1]=3 43 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [0,1,0,0,1,0|2,0,0]=4 44 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [0,1,0,0,1,0|1,0,1]=4 45 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,1,0,0,1,0|1,0,0]=3 46 B7R1.1 SCC1=CC=CS1 HMDB0031853 [0,1,0,0,1,0|1,1,0]=4 47 B7R1.2 OC1C=CC(O)=N1 HMDB0030276 [0,1,0,0,1,0|1,0,1]=4 48 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [0,2,0,0,0,0|0,0,1]=3 49 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,2,0,0,0,0|0,0,0]=2 50 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [0,2,0,0,0,0|0,0,0]=2 52 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [0,2,0,0,0,0|0,0,0]=2 53 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [0,2,0,0,0,0|0,0,0]=2 54 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [0,2,0,0,0,0|0,0,0]=2 55 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [0,2,0,0,0,0|0,0,0]=2 56 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [0,2,0,0,0,0|0,0,0]=2 57 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [0,2,0,0,0,0|0,0,0]=2 58 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [0,2,0,0,0,0|0,0,1]=3 59 B9R1.2 COC1=NC=CC(N)=N1 HMDB0004339 [0,2,0,0,0,0|2,0,0]=4 60 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,2,0,0,0,0|1,0,0]=3 61 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [0,2,0,0,0,0|0,0,0]=2 62 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [0,2,0,0,0,0|0,1,0]=3 63 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [0,2,0,0,0,0|1,0,0]=3 64 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [0,2,0,0,0,0|0,0,1]=3 65 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,2,0,0,0,0|1,0,1]=4 66 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [0,2,0,0,0,0|1,0,0]=3 67 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [0,2,0,0,0,0|1,0,0]=3 68 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [0,2,0,0,0,0|0,1,0]=3 69 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [0,2,0,0,0,0|0,1,0]=3 71 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [0,2,0,0,0,0|1,0,0]=3 72 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [0,2,0,0,0,0|0,0,1]=3 73 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [0,2,0,0,0,0|0,1,0]=3 74 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [0,2,0,0,0,0|0,0,1]=3 75 B9R1.15 COC1=C(C)N=CC=N1 HMDB0031852 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [0,2,0,0,0,0|0,0,0]=2 77 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [0,2,0,0,0,0|0,0,0]=2 78 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [0,2,0,0,0,0|0,0,0]=2 79 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [0,2,0,0,0,0|1,0,1]=4 80 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,2,0,0,0,0|0,0,0]=2 82 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,2,0,0,0,0|0,0,0]=2 83 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,2,0,0,0,0|0,0,0]=2 84 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [0,2,0,0,0,0|0,0,0]=2 85 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [0,2,0,0,0,0|0,0,0]=2 86 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,2,0,0,0,0|0,0,0]=2 87 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [0,2,0,0,0,0|0,0,0]=2 88 B9R1.3 CC1=C(C)C(O)=CC=C1 HMDB0032148 [0,2,0,0,0,0|0,0,0]=2 89 B9R1.3 CC1=C(O)C(=O)C=CO1 HMDB0030776 [0,2,0,0,0,0|1,0,0]=3 90 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [0,2,0,0,0,0|0,0,0]=2 91 B9R1.3 CC1=CC=CC(C)=C1S HMDB0032019 [0,2,0,0,0,0|0,1,0]=3 92 B9R1.3 OC1=C(Br)C=CC=C1Br HMDB0032080 [0,2,0,0,0,0|0,0,0]=2 93 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [0,2,0,0,0,0|0,0,0]=2 94 B9R1.34 OC1=CC(O)=CC(O)=C1 HMDB0013675 [0,2,0,0,0,0|0,0,0]=2 95 B5R1.1 O1C=CC=C1 HMDB0013785 [1,0,0,0,1,0|1,0,0]=3 96 B5R1.1 S1C=CC=C1 HMDB0029718 [1,0,0,0,1,0|1,0,0]=3 97 B5R1.1 S1C=CN=C1 HMDB0029713 [1,0,0,0,1,0|2,0,0]=4