0 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 CC1=CN=CC=N1 HMDB0033112 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.3 SC1=CC=CC=C1 HMDB0033746 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.1 C1=CN=CC=N1 HMDB0034176 [1,0,0,0,0,0|1,0,0]=2 6 B6R1.1 [C]1=CC=CC=C1 HMDB0031789 [1,0,0,0,0,0|1,0,0]=2 7 B6R1.1 [C]1=CC=CC=C1 HMDB0031790 [1,0,0,0,0,0|1,0,0]=2 8 B6R1.1 [C]1=CC=CC=C1 HMDB0031807 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 C=CC1=CC=CC=C1 HMDB0034240 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,1,0,0,0,0|1,0,0]=2 19 B8R1.4 CC1=CC=CC(C)=N1 HMDB0032972 [0,1,0,0,0,0|3,0,0]=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 OC1=CC=CC=C1Br HMDB0032059 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.5 OC1=CC=COC1=O HMDB0032994 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.6 C/C=C/C=C\C=O HMDB0034729 [0,0,1,0,0,0|2,0,1]=4 25 B6R1.2 CC1=CC=CN1 HMDB0033114 [0,0,0,0,1,0|2,0,0]=3 26 B6R1.2 CC1=CC=CS1 HMDB0033118 [0,0,0,0,1,0|2,0,0]=3 27 B6R1.2 CC1=CN=CS1 HMDB0033117 [0,0,0,0,1,0|2,0,0]=3 28 B6R1.2 CC1=CSC=C1 HMDB0033119 [0,0,0,0,1,0|2,0,0]=3 29 B6R1.2 CC1=CSC=N1 HMDB0033116 [0,0,0,0,1,0|3,0,0]=4 30 B6R1.2 CN1C=CC=C1 HMDB0033113 [0,0,0,0,1,0|2,0,0]=3 31 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,0,1,0|2,0,1]=4 32 B6R1.2 S=C1SSC=C1 HMDB0035702 [0,0,0,0,1,0|3,0,0]=4 33 B6R1.2 SC1=CC=CS1 HMDB0029720 [0,0,0,0,1,0|2,0,0]=3 34 B5R0.2 C=C/C=C\C=O HMDB0031597 [1,0,1,0,0,0|1,0,0]=3 35 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [0,1,1,0,0,0|2,0,0]=4 36 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [0,1,0,0,1,0|2,0,0]=4 37 B7R1.1 CCC1=CC=CO1 HMDB0040587 [0,1,0,0,1,0|2,0,0]=4 38 B7R1.1 CCC1=CC=CS1 HMDB0035384 [0,1,0,0,1,0|2,0,0]=4 39 B7R1.1 CCC1=COC=C1 HMDB0040588 [0,1,0,0,1,0|2,0,0]=4 40 B7R1.1 CCC1=CSC=C1 HMDB0035385 [0,1,0,0,1,0|2,0,0]=4 41 B7R1.1 CSC1=CSC=C1 HMDB0032939 [0,1,0,0,1,0|2,0,0]=4 42 B7R1.1 O=CC1=CC=CN1 HMDB0036057 [0,1,0,0,1,0|2,0,0]=4 43 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [0,1,0,0,1,0|2,0,0]=4 44 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [0,1,0,0,1,0|2,0,0]=4 45 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,1,0,0,1,0|2,0,0]=4 46 B7R1.1 OCC1=CC=CS1 HMDB0032993 [0,1,0,0,1,0|2,0,0]=4 47 B7R1.1 OCC1=CSC=C1 HMDB0041504 [0,1,0,0,1,0|2,0,0]=4 48 B7R1.1 SCC1=CC=CO1 HMDB0032915 [0,1,0,0,1,0|2,0,0]=4 49 B7R1.1 SCC1=CC=CS1 HMDB0031853 [0,1,0,0,1,0|2,0,0]=4 50 B7R1.2 CC1=CC(C)=CO1 HMDB0032965 [0,1,0,0,1,0|2,0,0]=4 51 B7R1.2 CC1=CC(C)=CS1 HMDB0032978 [0,1,0,0,1,0|2,0,0]=4 52 B7R1.2 CC1=CC(S)=CO1 HMDB0039798 [0,1,0,0,1,0|2,0,0]=4 53 B7R1.2 CC1=CC(S)=CS1 HMDB0039788 [0,1,0,0,1,0|2,0,0]=4 54 B7R1.2 CC1=CC=C(C)N1 HMDB0032973 [0,1,0,0,1,0|2,0,0]=4 55 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [0,1,0,0,1,0|2,0,0]=4 56 B7R1.2 CC1=CC=C(C)S1 HMDB0032979 [0,1,0,0,1,0|2,0,0]=4 57 B7R1.2 CC1=CN=C(C)O1 HMDB0032969 [0,1,0,0,1,0|2,0,0]=4 58 B7R1.2 CC1=CN=C(C)S1 HMDB0032975 [0,1,0,0,1,0|2,0,0]=4 59 B7R1.4 CC1=C(C)C=CS1 HMDB0032977 [0,1,0,0,1,0|2,0,0]=4 60 B7R1.4 CC1=C(C)N=CO1 HMDB0032970 [0,1,0,0,1,0|2,0,0]=4 61 B7R1.4 CC1=C(C)N=CS1 HMDB0032976 [0,1,0,0,1,0|2,0,0]=4 62 B7R1.4 CC1=C(S)C=CO1 HMDB0036611 [0,1,0,0,1,0|2,0,0]=4 63 B7R1.4 CC1=C(S)C=CS1 HMDB0039787 [0,1,0,0,1,0|2,0,0]=4 64 B7R1.4 CC1=CSC=C1C HMDB0032980 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [0,2,0,0,0,0|1,0,0]=3 70 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [0,2,0,0,0,0|2,0,0]=4 71 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [0,2,0,0,0,0|1,0,0]=3 72 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.6 CC(=O)C1=CC=CC=C1 HMDB0033910 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.6 CC(C)C1=CC=CC=C1 HMDB0034029 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.6 OC(=O)C1=CC=CC=C1 HMDB0001870 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [0,2,0,0,0,0|2,0,0]=4 79 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [0,2,0,0,0,0|2,0,0]=4 80 B9R1.8 CSSC1=CC=CC=C1 HMDB0040939 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.8 N#CCC1=CC=CC=C1 HMDB0034171 [0,2,0,0,0,0|1,0,1]=4 82 B9R1.8 OCCC1=CC=CC=C1 HMDB0033944 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [0,2,0,0,0,0|2,0,0]=4 84 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [0,2,0,0,0,0|2,0,0]=4 85 B9R1.15 CCC1=CC=CC=C1S HMDB0041361 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.15 CSC1=CC=CC=C1O HMDB0041281 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.15 OC1=CC=CC=C1C=O HMDB0034170 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.69 CC1=C(N)C=C(N)C=C1 HMDB0041799 [0,2,0,0,0,0|1,0,0]=3 91 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,2,0,0,0,0|1,0,1]=4 95 B9R1.3 CC1=C(C)C(O)=CC=C1 HMDB0032148 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.3 CC1=C(O)C(=O)C=CO1 HMDB0030776 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.3 CC1=CC=CC(C)=C1S HMDB0032019 [0,2,0,0,0,0|2,0,0]=4 99 B9R1.3 OC1=C(Br)C=CC=C1Br HMDB0032080 [0,2,0,0,0,0|2,0,0]=4 100 B5R1.1 N1C=CC=C1 HMDB0035924 [1,0,0,0,1,0|0,0,1]=3 101 B5R1.1 S1C=CC=C1 HMDB0029718 [1,0,0,0,1,0|1,0,0]=3 102 B5R1.1 S1C=CN=C1 HMDB0029713 [1,0,0,0,1,0|1,0,0]=3