0 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,0,0,0,0|2,0,1]=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|3,0,0]=3 4 B6R1.1 C1=CN=CN=C1 HMDB0003361 [1,0,0,0,0,0|1,0,0]=2 5 B6R1.1 [C]1=CC=CC=C1 HMDB0031789 [1,0,0,0,0,0|1,0,0]=2 6 B6R1.1 [C]1=CC=CC=C1 HMDB0031790 [1,0,0,0,0,0|1,0,0]=2 7 B6R1.1 [C]1=CC=CC=C1 HMDB0031807 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.4 NC1=CC=NC(=O)N1 HMDB0000630 [0,1,0,0,0,0|1,0,0]=2 19 B8R1.4 O=C1NC=CC(=O)N1 HMDB0000300 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [0,1,0,0,0,0|2,0,0]=3 25 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,0,0,0,1,0|2,0,0]=3 26 B6R1.2 NC1=CN=CN1 HMDB0003929 [0,0,0,0,1,0|1,0,0]=2 27 B6R1.2 O=C1CN=CN1 HMDB0004363 [0,0,0,0,1,0|2,0,1]=4 28 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,0,1,0|2,0,1]=4 29 B6R1.2 SC1=CC=CS1 HMDB0029720 [0,0,0,0,1,0|2,0,0]=3 30 B5R0.2 C=C/C=C\C=O HMDB0031597 [1,0,1,0,0,0|1,0,0]=3 31 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [0,1,1,0,0,0|2,0,0]=4 32 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [0,1,0,0,1,0|2,0,0]=4 33 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [0,1,0,0,1,0|2,0,0]=4 34 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,1,0,0,1,0|2,0,0]=4 35 B7R1.1 SCC1=CC=CS1 HMDB0031853 [0,1,0,0,1,0|2,0,0]=4 36 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [0,2,0,0,0,0|2,0,0]=4 37 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,2,0,0,0,0|2,0,0]=4 38 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [0,2,0,0,0,0|1,0,0]=3 40 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [0,2,0,0,0,0|1,0,0]=3 42 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [0,2,0,0,0,0|2,0,0]=4 44 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [0,2,0,0,0,0|2,0,0]=4 45 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [0,2,0,0,0,0|2,0,0]=4 46 B9R1.2 COC1=NC=CC(N)=N1 HMDB0004339 [0,2,0,0,0,0|1,0,0]=3 47 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,2,0,0,0,0|1,0,0]=3 48 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [0,2,0,0,0,0|2,0,0]=4 49 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [0,2,0,0,0,0|1,0,0]=3 51 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [0,2,0,0,0,0|1,0,0]=3 52 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,2,0,0,0,0|2,0,0]=4 53 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [0,2,0,0,0,0|2,0,0]=4 54 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [0,2,0,0,0,0|1,0,0]=3 56 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [0,2,0,0,0,0|2,0,0]=4 60 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.69 CC1=C(N)NC(=O)N=C1 HMDB0002894 [0,2,0,0,0,0|1,0,0]=3 63 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,2,0,0,0,0|1,0,1]=4 70 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [0,2,0,0,0,0|2,0,0]=4 71 B9R1.3 CC1=C(C)C(O)=CC=C1 HMDB0032148 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.3 CC1=C(O)C(=O)C=CO1 HMDB0030776 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.3 CC1=CC=CC(C)=C1S HMDB0032019 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.3 CN1C(N)=CC=NC1=O HMDB0011601 [0,2,0,0,0,0|1,0,0]=3 76 B9R1.3 OC1=C(Br)C=CC=C1Br HMDB0032080 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.34 OC1=CC(O)=CC(O)=C1 HMDB0013675 [0,2,0,0,0,0|2,0,0]=4 79 B5R1.1 O1C=CC=C1 HMDB0013785 [1,0,0,0,1,0|1,0,0]=3 80 B5R1.1 S1C=CC=C1 HMDB0029718 [1,0,0,0,1,0|1,0,0]=3 81 B5R1.1 S1C=CN=C1 HMDB0029713 [1,0,0,0,1,0|1,0,0]=3