0 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [0,0,0,0,0,0|1,0,0]=1 1 B11R2.10 S=C1NC2=C(S1)C=CC=C2 HMDB0030524 [0,0,0,0,0,0|2,1,0]=3 2 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,0,0,0|0,0,2]=3 3 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [0,0,1,0,0,0|1,0,2]=4 5 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [0,0,1,0,0,0|0,0,2]=3 6 B10R1.16 CC1=CC=C(O1)/C=C/C=O HMDB0032400 [0,0,1,0,0,0|1,0,0]=2 7 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [0,0,1,0,0,0|1,0,1]=3 8 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [0,0,1,0,0,0|1,0,2]=4 9 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [0,0,1,0,0,0|1,0,1]=3 10 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [0,0,1,0,0,0|2,0,1]=4 11 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [0,0,0,0,0,1|2,0,0]=3 12 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [0,0,0,0,0,1|2,0,0]=3 13 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,0,1,0,0,0|0,1,0]=3 14 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,1,0,0,0|1,0,1]=4 15 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,0,1,0,0,0|0,0,2]=4 16 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,0,1,0,0,0|1,0,1]=4 17 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,0,1,0,0,0|1,0,0]=3 18 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,0,1,0,0,0|0,0,1]=3 19 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.17 OC1=CC=CC=C1/C=C/C=O HMDB0031725 [0,1,1,0,0,0|0,0,1]=3 21 B11R1.86 CC(=O)OC1=CC=CC=C1C HMDB0032073 [0,1,1,0,0,0|0,0,1]=3 22 B11R1.86 CC(C)OC1=CC=CC=C1O HMDB0041804 [0,1,1,0,0,0|1,0,1]=4 23 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [0,1,1,0,0,0|1,0,1]=4 24 B11R1.222 COC(=O)C1=CC=CC=C1N HMDB0029703 [0,1,1,0,0,0|2,0,0]=4 25 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,1,1,0,0,0|1,0,0]=3 26 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 HMDB0011743 [0,1,1,0,0,0|1,0,1]=4 27 B11R1.36 NC(C(O)=O)C1=CC=CC=C1 HMDB0002210 [0,1,1,0,0,0|1,0,1]=4 28 B11R1.36 OC(=O)C(=O)C1=CC=CC=C1 HMDB0001587 [0,1,1,0,0,0|1,0,0]=3 29 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 HMDB0000703 [0,1,1,0,0,0|1,0,1]=4 30 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [0,1,1,0,0,0|0,0,1]=3 31 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,1,1,0,0,0|0,0,2]=4 32 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [0,1,1,0,0,0|1,0,1]=4 33 B11R1.509 CC(C)(O)CC1=CC=CC=C1 HMDB0031570 [0,1,1,0,0,0|0,0,2]=4 34 B11R2.1 C=C1C=NC2=CC=CC=C12 HMDB0011664 [1,1,0,0,0,0|1,0,0]=3 35 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [1,1,0,0,0,0|1,0,0]=3 36 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [1,1,0,0,0,0|2,0,0]=4 37 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.155 OC1=CC2=C(C=C1)C=CC(=O)O2 HMDB0029865 [0,1,0,0,0,1|1,0,0]=3 39 B13R2.369 OC1=CC2=CC=CC=C2OC1=O HMDB0002149 [0,1,0,0,0,1|1,0,0]=3 40 B13R2.3683 CC1=CC2=C(OC(=O)C=C2)C=C1 HMDB0032394 [0,1,0,0,0,1|1,0,0]=3 41 B13R2.435 OC(=O)C1=CC2=C(N1)C=CC=C2 HMDB0002285 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.45 CC/C=C\C=C/C=C\C=O HMDB0032441 [0,0,2,0,0,0|0,0,2]=4 43 B11R2.20 C1=CC2=CC=CC=C2C=C1 HMDB0029751 [0,0,1,1,0,0|1,0,1]=4 44 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,0,1,0,1,0|1,0,1]=4 45 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [0,0,1,0,1,0|0,0,1]=3 46 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [0,0,1,0,1,0|0,1,1]=4 47 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [0,0,1,0,1,0|1,0,1]=4 48 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [0,0,1,0,1,0|1,0,1]=4 49 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [0,0,1,0,1,0|2,0,0]=4 50 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [0,0,1,0,1,0|2,0,0]=4 51 B9R2.3 S1C=CC2=C1SC=C2 HMDB0029716 [1,0,0,0,1,0|1,1,0]=4 52 B11R1.1 CC1=CC=C(/C=C/C=O)C=C1 HMDB0029640 [0,0,1,0,0,1|2,0,0]=4 53 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [0,0,1,0,0,1|0,0,1]=3 54 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [0,0,1,0,0,1|1,0,0]=3 55 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [0,0,1,0,0,1|0,0,1]=3 56 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [0,0,1,0,0,1|0,0,2]=4 57 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [0,0,1,0,0,1|1,0,0]=3 58 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [0,0,1,0,0,1|1,0,0]=3 59 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [0,0,1,0,0,1|1,0,1]=4 60 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [0,0,1,0,0,1|1,0,1]=4 61 B13R2.33 O=C1CCC2=CC=CC=C2OC1 HMDB0029714 [0,0,0,0,0,2|1,0,1]=4