0 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [1,0,0,0,0,0|2,0,1]=4 1 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,0,0,0,0,0|1,0,0]=2 2 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.39 CCN1C=CC=C1C(C)=O HMDB0029759 [0,1,0,0,0,0|0,0,0]=1 5 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 HMDB0032159 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [0,0,1,0,0,0|1,0,0]=2 9 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [0,0,0,0,0,1|2,0,0]=3 10 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,0,0,0,0,1|2,0,0]=3 11 B10R1.61 CC(=O)C1=NC=CN=C1C HMDB0030001 [0,0,0,0,0,1|2,0,0]=3 12 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [0,0,0,0,0,1|3,0,0]=4 13 B10R1.64 CC(=O)SC1=C(C)OC=C1 HMDB0032160 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.64 CN1C=NC=C1CC(O)=O HMDB0004988 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.113 CN1CCC=C(C1)C(O)=O HMDB0030352 [0,0,0,0,0,1|1,0,2]=4 16 B10R1.113 C[N+]1=CC(=CC=C1)C([O-])=O HMDB0000875 [0,0,0,0,0,1|1,0,1]=3 17 B10R1.113 C[N+]1=CC=CC(=C1)C(N)=O HMDB0000699 [0,0,0,0,0,1|1,0,1]=3 18 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 HMDB0002730 [0,0,0,0,0,1|2,0,1]=4 19 B10R1.113 OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,0,0,0,0,1|3,0,0]=4 20 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [1,0,1,0,0,0|1,0,0]=3 21 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,0,1,0,0,0|0,0,2]=4 22 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [1,0,1,0,0,0|2,0,0]=4 23 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [2,0,0,0,0,0|1,0,1]=4 24 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [2,0,0,0,0,0|1,0,0]=3 25 B9R0.2 C/C=C/C=C/COC(C)=O HMDB0032311 [0,1,1,0,0,0|1,0,1]=4 26 B9R1.11 CCC(=O)C1=CC=CN1 HMDB0032492 [1,1,0,0,0,0|0,0,0]=2 27 B9R1.11 COC(=O)C1=CC=CO1 HMDB0029750 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.11 COC(=O)C1=CC=CS1 HMDB0029719 [1,1,0,0,0,0|1,0,0]=3 29 B9R1.33 CN1C=NC=C1CCN HMDB0001861 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.53 CCC1=NC=CN=C1C(C)=O HMDB0029410 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.53 CNC1=CC=CC=C1C(O)=O HMDB0032609 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.53 COC1=CC=CC=C1C(C)=O HMDB0032569 [0,1,0,0,0,1|1,0,0]=3 33 B11R1.53 COC1=CC=CC=C1C(O)=O HMDB0032604 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.53 NC(=O)C1=C(N=CC=C1)CC HMDB0013704 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.53 OCC1=CC=CC=C1C(O)=O HMDB0032594 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.156 CC(=O)C1=C(O)C=CC=C1O HMDB0029660 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,1,0,0,0,1|1,0,0]=3 39 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.222 COC(=O)C1=CC=CC=C1N HMDB0029703 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.645 CC(=O)SC1=C(C)OC(C)=C1 HMDB0032234 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.21 CN1C=C(C=CC1=O)C(N)=O HMDB0004193 [0,1,0,0,0,1|1,0,0]=3 48 B11R1.23 COC(=O)C1=CCCN(C)C1 HMDB0030353 [0,1,0,0,0,1|0,0,2]=4 49 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HMDB0029662 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.266 COC1=CC=CC(=C1)C(O)=O HMDB0032606 [0,1,0,0,0,1|2,0,0]=4 51 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [0,0,1,1,0,0|2,0,0]=4 52 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [0,0,0,1,0,1|2,0,0]=4 53 B11R1.86 CC(=O)OC1=CC=CC=C1C HMDB0032073 [0,0,0,0,0,2|1,0,0]=3 54 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [0,0,0,0,0,2|2,0,0]=4