0 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [0,0,0,0,0,0|1,0,2]=3 1 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [0,0,0,0,0,0|0,0,0]=0 2 B10R2.7 N1C=NC2=C1C=NC=N2 HMDB0001366 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 C=C1C=NC2=CC=CC=C12 HMDB0011664 [0,1,0,0,0,0|0,0,1]=2 4 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [0,1,0,0,0,0|0,0,0]=1 5 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [0,1,0,0,0,0|2,0,0]=3 6 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [0,1,0,0,0,0|0,0,0]=1 7 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [0,1,0,0,0,0|1,0,1]=3 8 B11R2.10 S=C1NC2=C(S1)C=CC=C2 HMDB0030524 [0,1,0,0,0,0|1,0,0]=2 9 B11R2.106 NC1=C2NC=NC2=NC=N1 HMDB0000034 [0,1,0,0,0,0|3,0,0]=4 10 B11R2.106 OC1=NC=NC2=C1NC=N2 HMDB0000157 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [0,0,1,0,0,0|1,0,0]=2 12 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [0,0,1,0,0,0|2,0,1]=4 13 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [0,0,1,0,0,0|0,0,2]=3 14 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [0,0,1,0,0,0|1,0,1]=3 15 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [0,0,1,0,0,0|1,0,2]=4 16 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [0,0,1,0,0,0|2,0,0]=3 17 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [0,0,1,0,0,0|2,0,1]=4 18 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [0,0,1,0,0,0|1,0,2]=4 19 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [0,0,1,0,0,0|2,0,1]=4 20 B9R2.3 S1C=CC2=C1SC=C2 HMDB0029716 [0,0,0,0,1,0|2,0,0]=3 21 B11R2.20 C1=CC2=CC=CC=C2C=C1 HMDB0029751 [0,0,0,0,0,1|1,0,0]=2 22 B11R2.20 C1CC2=C(CN1)C=CC=C2 HMDB0012489 [0,0,0,0,0,1|0,0,2]=3 23 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [1,0,1,0,0,0|0,0,0]=2 24 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [1,0,1,0,0,0|1,0,0]=3 25 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [1,0,1,0,0,0|1,0,1]=4 26 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [1,0,1,0,0,0|1,0,1]=4 27 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [1,0,1,0,0,0|2,0,0]=4 28 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [1,0,1,0,0,0|2,0,0]=4 29 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [0,1,1,0,0,0|1,0,0]=3 31 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [0,1,1,0,0,0|1,0,1]=4 32 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [0,1,1,0,0,0|0,0,2]=4 33 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [0,1,1,0,0,0|1,0,1]=4 34 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [0,1,1,0,0,0|0,0,2]=4 35 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [0,1,1,0,0,0|1,0,1]=4 36 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,1,1,0,0,0|1,0,1]=4 37 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,1,1,0,0,0|2,0,0]=4 38 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [0,1,1,0,0,0|0,0,1]=3 39 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [0,1,1,0,0,0|0,0,2]=4 40 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [0,1,1,0,0,0|1,0,0]=3 41 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [0,1,1,0,0,0|1,0,0]=3 42 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [0,1,1,0,0,0|1,0,0]=3 43 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [0,1,1,0,0,0|0,0,1]=3 44 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [0,1,1,0,0,0|0,0,1]=3 45 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [0,1,1,0,0,0|1,0,1]=4 46 B10R1.16 CC1=CC=C(O1)/C=C/C=O HMDB0032400 [0,1,1,0,0,0|2,0,0]=4 47 B10R1.66 OC(=O)/C=C/C1=CNC=N1 HMDB0000301 [0,1,1,0,0,0|2,0,0]=4 48 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,1,1,0,0,0|2,0,0]=4 49 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,1,1,0,0,0|2,0,0]=4 50 B10R1.30 OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [0,1,1,0,0,0|2,0,0]=4 51 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [0,1,1,0,0,0|0,0,1]=3 52 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,1,1,0,0,0|1,0,1]=4 53 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [0,1,0,0,0,1|1,0,0]=3 54 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [0,1,0,0,0,1|1,0,0]=3 55 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 HMDB0012138 [0,1,0,0,0,1|1,0,0]=3 56 B12R2.1 NCC1=CNC2=CC=CC=C12 HMDB0029740 [0,2,0,0,0,0|0,0,0]=2 57 B12R2.1 O=CC1=CNC2=C1C=CC=C2 HMDB0029737 [0,2,0,0,0,0|0,0,0]=2 58 B12R2.196 OC1=CC=CC2=C1COC2=O HMDB0032598 [0,2,0,0,0,0|2,0,0]=4 59 B12R2.100 CC1=CC2=C(C=C1C)N=CN2 HMDB0003701 [0,2,0,0,0,0|1,0,0]=3 60 B12R2.100 O=C1C=C2NC=CC2=CC1=O HMDB0006779 [0,2,0,0,0,0|0,0,0]=2 61 B12R2.100 OC1=C(O)C=C2C=CNC2=C1 HMDB0004058 [0,2,0,0,0,0|0,0,0]=2 62 B12R2.100 OC1=C(O)C=C2NCCC2=C1 HMDB0012992 [0,2,0,0,0,0|0,0,2]=4