0 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,0,0,0|2,1,1]=4 2 B7R1.2 CC1SSC(C)S1 HMDB0031470 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 CC1=CC=CO1 HMDB0013749 [1,0,0,0,0,0|1,1,0]=3 4 B6R1.2 CC1=NCCS1 HMDB0029555 [1,0,0,0,0,0|0,0,2]=3 5 B6R1.2 NC1=CN=CN1 HMDB0003929 [1,0,0,0,0,0|2,0,0]=3 6 B6R1.2 O=C1CN=CN1 HMDB0004363 [1,0,0,0,0,0|2,0,1]=4 7 B6R1.2 SC1=CC=CS1 HMDB0029720 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [0,1,0,0,0,0|1,0,1]=3 9 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,1,0,0,0,0|1,1,0]=3 10 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,1,0,0,0,0|1,1,0]=3 14 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,1,0,0,0,0|1,1,1]=4 15 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [0,1,0,0,0,0|0,1,2]=4 16 B8R1.50 CN1C(C)=CC=C1C HMDB0029722 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,0,1,0,0,0|2,0,1]=4 18 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,0,1,0,0,0|3,0,0]=4 19 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,1,0,0,0|2,0,0]=3 20 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,1,0,0,0|1,1,0]=3 21 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,1,0,0,0|3,0,0]=4 22 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,1,0,0,0|2,1,0]=4 23 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,1,0,0,0|2,0,1]=4 24 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,0,0,0,0,1|2,0,0]=3 25 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [0,0,0,0,0,1|3,0,0]=4 26 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,0,0,0,0,1|1,0,0]=2 27 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [0,0,0,0,0,1|3,0,0]=4 28 B8R1.4 NC1=CC=NC(=O)N1 HMDB0000630 [0,0,0,0,0,1|3,0,0]=4 29 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,1,0,0,0|0,1,0]=3 30 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,1,0,0,0|1,1,0]=4 31 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,1,0,0,0|1,1,0]=4 32 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,1,0,0,0|1,1,0]=4 33 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,1,0,0,0|1,1,0]=4 34 B5R0.1 CC(C)=CC=O HMDB0012157 [1,0,1,0,0,0|2,0,0]=4 35 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,1,0,0,0|1,0,1]=4 36 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,0,1,0,0,0|2,0,0]=4 37 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,0,1,0,0,0|1,0,0]=3 38 B5R1.1 O1C=CC=C1 HMDB0013785 [2,0,0,0,0,0|1,1,0]=4 39 B5R1.1 S1C=CC=C1 HMDB0029718 [2,0,0,0,0,0|1,0,0]=3 40 B5R1.1 S1C=CN=C1 HMDB0029713 [2,0,0,0,0,0|0,0,0]=2 41 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [1,1,0,0,0,0|1,0,1]=4 42 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [1,1,0,0,0,0|1,0,1]=4 43 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,1,0,0,0,0|1,1,0]=4 44 B7R1.1 SCC1=CC=CS1 HMDB0031853 [1,1,0,0,0,0|1,0,0]=3 45 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [0,1,0,0,0,1|1,0,0]=3 46 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [0,1,0,0,0,1|2,0,0]=4 47 B9R1.69 CC1=C(N)NC(=O)N=C1 HMDB0002894 [0,1,0,0,0,1|2,0,0]=4 48 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,1,0,0,0,1|2,0,0]=4 49 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,1,0,0,0,1|2,0,0]=4 50 B9R1.69 CC1=NC(C)=C(C)N=C1 HMDB0031844 [0,1,0,0,0,1|1,0,0]=3 51 B9R1.2 COC1=NC=CC(N)=N1 HMDB0004339 [0,1,0,0,0,1|2,0,0]=4 52 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [0,1,0,0,0,1|2,0,0]=4 53 B9R1.3 CC1=CC=CC(C)=C1S HMDB0032019 [0,1,0,0,0,1|2,0,0]=4 54 B9R1.7 CN1C=NC(CC=O)=C1 HMDB0004181 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.7 CN1C=NC(CCN)=C1 HMDB0000898 [0,2,0,0,0,0|2,0,0]=4 56 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,1,1,0,0|2,0,0]=4 57 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,1,0,1,0|1,0,0]=3 58 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,0,1,0,1,0|2,0,0]=4