0 B6R1.2 CC1=CC=CN1 HMDB0033114 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 CC1=CC=CS1 HMDB0033118 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 CC1=CCCS1 HMDB0033565 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 CC1=CN=CS1 HMDB0033117 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 CC1=COCC1 HMDB0040584 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 CC1=CSC=C1 HMDB0033119 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 CC1=CSC=N1 HMDB0033116 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 CC1=NCCS1 HMDB0029555 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 CC1CCC=C1 HMDB0031544 [0,0,0,0,0,0|2,0,2]=4 9 B6R1.2 CC1CNC=C1 HMDB0033529 [0,0,0,0,0,0|1,0,2]=3 10 B6R1.2 CC1COC=C1 HMDB0037788 [0,0,0,0,0,0|2,0,2]=4 11 B6R1.2 CN1C=CC=C1 HMDB0033113 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 S=C1SSC=C1 HMDB0035702 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 SC1=CC=CS1 HMDB0029720 [0,0,0,0,0,0|4,0,0]=4 15 B5R1.1 C1CC=CS1 HMDB0033875 [1,0,0,0,0,0|2,0,1]=4 16 B5R1.1 N1C=CC=C1 HMDB0035924 [1,0,0,0,0,0|1,0,0]=2 17 B5R1.1 S1C=CC=C1 HMDB0029718 [1,0,0,0,0,0|2,0,0]=3 18 B5R1.1 S1C=CN=C1 HMDB0029713 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.1 CCC1=CC=CO1 HMDB0040587 [0,1,0,0,0,0|3,0,0]=4 20 B7R1.1 CCC1=CC=CS1 HMDB0035384 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.1 CCC1=COC=C1 HMDB0040588 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.1 CCC1=CSC=C1 HMDB0035385 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.1 CSC1=CSC=C1 HMDB0032939 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.1 OCC1=CC=CS1 HMDB0032993 [0,1,0,0,0,0|3,0,0]=4 26 B7R1.1 OCC1=CSC=C1 HMDB0041504 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.1 SCC1=CC=CO1 HMDB0032915 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.1 SCC1=CC=CS1 HMDB0031853 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,1,0,0,0,0|2,0,1]=4 30 B7R1.2 CC1=CC(C)=CO1 HMDB0032965 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.2 CC1=CC(C)=CS1 HMDB0032978 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.2 CC1=CC(S)=CO1 HMDB0039798 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1=CC(S)=CS1 HMDB0039788 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=CC(S)CS1 HMDB0039791 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.2 CC1=CC=C(C)N1 HMDB0032973 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.2 CC1=CC=C(C)S1 HMDB0032979 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.2 CC1=CN=C(C)O1 HMDB0032969 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.2 CC1=CN=C(C)S1 HMDB0032975 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.2 CC1=NC(C)=CO1 HMDB0032968 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.2 CC1=NC(C)=CS1 HMDB0032974 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.4 CC1=C(C)C=CS1 HMDB0032977 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.4 CC1=C(C)N=CO1 HMDB0032970 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.4 CC1=C(C)N=CS1 HMDB0032976 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.4 CC1=C(S)C=CO1 HMDB0036611 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.4 CC1=C(S)C=CS1 HMDB0039787 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.4 CC1=C(S)CCO1 HMDB0040580 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.4 CC1=C(S)CCS1 HMDB0039792 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.4 CC1=CSC=C1C HMDB0032980 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 CC(=C)CCO HMDB0030126 [0,0,1,0,0,0|2,0,1]=4 52 B5R0.1 CC(C)=CC=O HMDB0012157 [0,0,1,0,0,0|2,0,1]=4 53 B5R0.1 CC(C)=CCO HMDB0030124 [0,0,1,0,0,0|2,0,1]=4 54 B5R0.1 CC(C)=CCS HMDB0031529 [0,0,1,0,0,0|2,0,1]=4 55 B5R0.2 C=C/C=C\C=O HMDB0031597 [0,0,1,0,0,0|3,0,0]=4 56 B5R0.2 CSS/C=C\C HMDB0041391 [0,0,1,0,0,0|2,0,1]=4 57 B5R0.2 C[Se]S/C=C/C HMDB0030880 [0,0,1,0,0,0|2,0,1]=4 58 B5R0.3 C/C=C(/C)C=O HMDB0031512 [0,0,1,0,0,0|2,0,0]=3 59 B5R0.3 C/C=C(\C)CO HMDB0034465 [0,0,1,0,0,0|2,0,1]=4 60 B5R0.3 CC/C(C)=C/S HMDB0040347 [0,0,1,0,0,0|2,0,1]=4 61 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [0,0,0,0,0,1|2,0,0]=3 62 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,0,0,0,0,1|2,0,1]=4 63 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,0,0,0,1|2,0,0]=3 64 B7R1.3 CC1=CN=CC=N1 HMDB0033112 [0,0,0,0,0,1|1,0,0]=2 65 B7R1.3 SC1=CC=CC=C1 HMDB0033746 [0,0,0,0,0,1|3,0,0]=4 66 B4R0.1 CC(=C)C=C HMDB0032344 [1,0,1,0,0,0|1,0,0]=3 67 B4R0.1 NC(=O)C=C HMDB0032161 [1,0,1,0,0,0|2,0,0]=4 68 B4R0.2 C/C=C/SO HMDB0031636 [1,0,1,0,0,0|2,0,0]=4 69 B4R0.2 C/C=C\C=O HMDB0034233 [1,0,1,0,0,0|2,0,0]=4 70 B4R0.2 C/C=C\CO HMDB0033858 [1,0,1,0,0,0|2,0,0]=4 71 B4R0.2 C=CSC=C HMDB0033922 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,1,1,0,0,0|2,0,0]=4 73 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,1,1,0,0,0|2,0,0]=4 74 B6R0.6 C/C=C/C=C\C=O HMDB0034729 [0,1,1,0,0,0|2,0,0]=4 75 B6R0.6 C/C=C/CCC=O HMDB0040271 [0,1,1,0,0,0|2,0,0]=4 76 B6R0.6 C/C=C/S/C=C/C HMDB0040234 [0,1,1,0,0,0|2,0,0]=4 77 B6R0.6 C/C=C\CCC=O HMDB0033549 [0,1,1,0,0,0|2,0,0]=4 78 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [0,1,0,0,0,1|1,0,0]=3 79 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [0,1,0,0,0,1|1,0,0]=3 80 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [0,1,0,0,0,1|2,0,0]=4 81 B8R1.2 COC1=CN=CC=N1 HMDB0033156 [0,1,0,0,0,1|1,0,0]=3 82 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [0,1,0,0,0,1|2,0,0]=4 83 B8R1.2 CSC1=CN=CC=N1 HMDB0033152 [0,1,0,0,0,1|1,0,0]=3 84 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [0,1,0,0,0,1|2,0,0]=4 85 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [0,1,0,0,0,1|2,0,0]=4 86 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [0,1,0,0,0,1|2,0,0]=4 87 B8R1.2 SCC1=CN=CC=N1 HMDB0036186 [0,1,0,0,0,1|1,0,0]=3 88 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,1,0,0,0,1|2,0,0]=4 89 B8R1.3 CC1=CN=C(C)C=N1 HMDB0035289 [0,1,0,0,0,1|1,0,0]=3 90 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,1,0,0,0,1|1,0,0]=3 91 B8R1.4 CC1=CC=CC(C)=N1 HMDB0032972 [0,1,0,0,0,1|2,0,0]=4 92 B8R1.4 CC1=CN=CC(C)=N1 HMDB0035248 [0,1,0,0,0,1|1,0,0]=3 93 B8R1.5 CC1=C(C)N=CC=N1 HMDB0032971 [0,1,0,0,0,1|1,0,0]=3 94 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [0,1,0,0,0,1|2,0,0]=4 95 B8R1.1 CCC1=CN=C(C)O1 HMDB0037859 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.1 CCC1=CN=C(C)S1 HMDB0040096 [0,2,0,0,0,0|2,0,0]=4 97 B8R1.1 CCC1=NC=C(C)O1 HMDB0037858 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.1 COC1=CN=C(C)S1 HMDB0037178 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.7 CC(=O)C1=CSC=C1 HMDB0033134 [0,2,0,0,0,0|2,0,0]=4 100 B8R1.8 CSCC1=CSC=C1 HMDB0032429 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.11 CCC1=C(C)N=CO1 HMDB0037863 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.11 CCC1=C(C)N=CS1 HMDB0029732 [0,2,0,0,0,0|2,0,0]=4 103 B8R1.11 CCC1=C(C)SC=N1 HMDB0040062 [0,2,0,0,0,0|2,0,0]=4 104 B8R1.11 CSC1=C(C)OC=C1 HMDB0036610 [0,2,0,0,0,0|2,0,0]=4 105 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,2,0,0,0,0|2,0,0]=4 106 B8R1.18 CC1=NC(C)=C(C)O1 HMDB0040148 [0,2,0,0,0,0|2,0,0]=4 107 B8R1.18 CC1=NC(C)=C(C)S1 HMDB0033155 [0,2,0,0,0,0|2,0,0]=4 108 B8R1.18 CC1OC(=O)C(C)=C1 HMDB0039778 [0,2,0,0,0,0|2,0,0]=4 109 B6R1.1 C1=CN=CC=N1 HMDB0034176 [0,0,1,1,0,0|2,0,0]=4