0 B8R1.11 CC1=C(SC=N1)C=C HMDB0031858 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [1,0,0,0,0,0|2,0,0]=3 2 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [1,0,0,0,0,0|1,0,0]=2 3 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,0,0,0,0,0|1,0,2]=4 4 B7R1.1 SCC1=CC=CS1 HMDB0031853 [1,0,0,0,0,0|1,1,1]=4 5 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.33 CN1C=NC=C1CCN HMDB0001861 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [0,0,1,0,0,0|1,0,2]=4 8 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,0,1,0,0,0|1,0,2]=4 9 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [0,0,1,0,0,0|2,0,0]=3 10 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [0,0,0,0,0,1|1,0,0]=2 11 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [0,0,0,0,0,1|1,0,0]=2 12 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [0,0,0,0,0,1|3,0,0]=4 13 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [0,0,0,0,0,1|2,0,1]=4 14 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,1,0,0,0|0,0,2]=4 15 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,1,0,0,0|0,0,2]=4 16 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,1,0,0,0|0,0,2]=4 17 B6R0.1 CC(CC=C)C=O HMDB0030332 [1,0,1,0,0,0|0,0,2]=4 18 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,0,1,0,0,0|0,0,2]=4 19 B6R1.2 CC1=CC=CO1 HMDB0013749 [2,0,0,0,0,0|1,0,1]=4 20 B6R1.2 NC1=CN=CN1 HMDB0003929 [2,0,0,0,0,0|2,0,0]=4 21 B6R1.2 O=C1CN=CN1 HMDB0004363 [2,0,0,0,0,0|1,0,1]=4 22 B6R1.2 O=C1OCC=C1 HMDB0032330 [2,0,0,0,0,0|1,0,1]=4 23 B6R1.2 SC1=CC=CS1 HMDB0029720 [2,0,0,0,0,0|1,1,0]=4 24 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [0,1,1,0,0,0|1,0,0]=3 25 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [0,1,1,0,0,0|2,0,0]=4 26 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [0,1,1,0,0,0|1,0,0]=3 27 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [1,1,0,0,0,0|1,0,0]=3 28 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,1,0,0,0,0|0,0,0]=2 29 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [1,1,0,0,0,0|1,0,0]=3 30 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [1,1,0,0,0,0|2,0,0]=4 31 B8R1.8 O=CCC1=CN=CN1 HMDB0003905 [1,1,0,0,0,0|1,0,0]=3 32 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [1,1,0,0,0,0|2,0,0]=4 33 B8R1.18 CN1CC(=O)NC1=O HMDB0003646 [1,1,0,0,0,0|1,0,1]=4 34 B8R1.50 CN1C(C)=CC=C1C HMDB0029722 [1,1,0,0,0,0|0,0,1]=3 35 B10R1.30 OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.113 CN1CCC=C(C1)C(O)=O HMDB0030352 [0,1,0,0,0,1|0,0,2]=4 37 B10R1.113 C[N+]1=CC(=CC=C1)C([O-])=O HMDB0000875 [0,1,0,0,0,1|0,0,1]=3 38 B10R1.113 C[N+]1=CC=CC(=C1)C(N)=O HMDB0000699 [0,1,0,0,0,1|0,0,1]=3 39 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 HMDB0002730 [0,1,0,0,0,1|1,0,1]=4 40 B10R1.113 OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [0,1,0,0,0,1|1,0,0]=3 42 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,1,0,0,0,1|1,0,0]=3 43 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.61 CC(=O)C1=NC=CN=C1C HMDB0030001 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.39 CCN1C=CC=C1C(C)=O HMDB0029759 [0,2,0,0,0,0|0,0,0]=2 49 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 HMDB0032159 [0,2,0,0,0,0|2,0,0]=4 50 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [0,2,0,0,0,0|2,0,0]=4 51 B10R1.64 CC(=O)SC1=C(C)OC=C1 HMDB0032160 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.64 CN1C=NC=C1CC(O)=O HMDB0004988 [0,2,0,0,0,0|1,0,0]=3 53 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [0,0,1,1,0,0|1,0,1]=4 54 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [0,0,1,1,0,0|1,1,0]=4 55 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [0,0,1,1,0,0|2,0,0]=4 56 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [0,0,1,1,0,0|1,0,1]=4