0 B10R1.20 CCC1=C(OC)N=CC=N1 HMDB0040054 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.20 COC1=CC=CC=C1C=C HMDB0036441 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.20 COC1=CC=CC=C1C=O HMDB0033766 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.20 COC1=CC=CC=C1OC HMDB0032139 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.15 CC1=C(C=C)N=CC=N1 HMDB0039989 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.15 CCC1=CC=CC=C1S HMDB0041361 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.15 COC1=C(C)N=CC=N1 HMDB0031852 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,0,0,0,0,0|0,0,1]=2 9 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,0,0,0,0,0|0,1,0]=2 10 B9R1.15 CSC1=CC=CC=C1O HMDB0041281 [1,0,0,0,0,0|0,1,1]=3 11 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.15 OC1=CC=CC=C1C=O HMDB0034170 [1,0,0,0,0,0|0,0,0]=1 13 B11R1.53 CCC1=NC=CN=C1C(C)=O HMDB0029410 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.53 CNC1=CC=CC=C1C(O)=O HMDB0032609 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.53 COC1=CC=CC=C1C(C)=O HMDB0032569 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.53 COC1=CC=CC=C1C(O)=O HMDB0032604 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.53 OCC1=CC=CC=C1C(O)=O HMDB0032594 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.45 CC/C=C\C/C=C\CC=O HMDB0031152 [0,0,1,0,0,0|1,0,2]=4 19 B9R0.45 CC/C=C\C=C/C=C\C=O HMDB0032441 [0,0,1,0,0,0|1,0,0]=2 20 B9R0.45 CC/C=C\CC/C=C/C=O HMDB0033857 [0,0,1,0,0,0|1,0,2]=4 21 B9R0.45 CC/C=C\CC/C=C\C=O HMDB0031261 [0,0,1,0,0,0|1,0,2]=4 22 B9R0.45 CCCC/C=C/C=C\C=O HMDB0031685 [0,0,1,0,0,0|1,0,2]=4 23 B11R2.1 O=C1NSC2=CC=CC=C12 HMDB0034413 [0,0,0,1,0,0|1,1,0]=3 24 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [0,0,0,1,0,0|2,0,0]=3 25 B11R2.20 C1=CC2=CC=CC=C2C=C1 HMDB0029751 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.20 C1=CC=C2C=NC=CC2=C1 HMDB0034244 [0,0,0,1,0,0|2,0,1]=4 27 B11R2.20 C1=CC=C2N=CC=CC2=C1 HMDB0033731 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.14 CCN1C=CC=C1C=O HMDB0036058 [0,0,0,0,1,0|2,0,0]=3 29 B8R0.4 C/C=C/CC/C=C/C=O HMDB0039844 [1,0,1,0,0,0|0,0,2]=4 30 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|0,0,2]=4 31 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.2 C=CC1=CC=CC=C1 HMDB0034240 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|0,0,0]=2 35 B8R1.2 COC1=CN=CC=N1 HMDB0033156 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [2,0,0,0,0,0|0,1,0]=3 37 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|0,1,1]=4 39 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [2,0,0,0,0,0|0,1,0]=3 40 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.5 OC1=CC=COC1=O HMDB0032994 [2,0,0,0,0,0|1,0,0]=3 42 B10R0.71 CC/C=C\C/C=C/C=C/C=O HMDB0032213 [0,1,1,0,0,0|1,0,0]=3 43 B10R0.71 CC/C=C\C/C=C\C=C\C=O HMDB0033544 [0,1,1,0,0,0|1,0,0]=3 44 B10R1.2 CCC1=C(O)C(O)=CC=C1 HMDB0040177 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|0,0,1]=3 51 B10R1.30 CCC1=C(O)C=CC(C)=C1 HMDB0038988 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.30 CCC1=CC(O)=CC=C1C HMDB0038986 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [1,1,0,0,0,0|0,0,1]=3 54 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.61 CC(=O)C1=CC=NC=C1C HMDB0040224 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.61 CC(=O)C1=NC=CN=C1C HMDB0030001 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.61 CC(C)C1=CC=CC=C1C HMDB0037050 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.61 NC(=O)C1=CC=CC=C1N HMDB0033947 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.39 CCN1C=CC=C1C(C)=O HMDB0029759 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 HMDB0040176 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.78 COC1=C(OC)C=C(C=C)C=C1 HMDB0040359 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 HMDB0032138 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.75 COC1=CC=CC=C1OC(C)=O HMDB0032030 [0,2,0,0,0,0|0,0,0]=2 68 B12R1.77 CNC1=CC=CC=C1C(=O)OC HMDB0034169 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.77 COC(=O)C1=CC=CC=C1OC HMDB0032605 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.121 COC1=CC=CC=C1/C=C/C=O HMDB0033830 [0,2,0,0,0,0|0,0,0]=2 71 B10R1.15 COC(=O)C1=CC=CC=C1 HMDB0033968 [0,0,1,1,0,0|2,0,0]=4 72 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [0,0,1,1,0,0|2,0,0]=4 73 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [0,0,1,1,0,0|2,0,0]=4 74 B10R2.7 O1C=CC2=C1C=CC=C2 HMDB0032929 [1,0,0,1,0,0|0,0,1]=3 75 B12R2.24 CC1=NC2=CC=CC=C2C=C1 HMDB0042004 [0,1,0,1,0,0|2,0,0]=4 76 B12R2.24 O=C1CCC2=CC=CC=C2O1 HMDB0036626 [0,1,0,1,0,0|1,0,0]=3 77 B12R2.24 O=C1COC2=CC=CC=C2O1 HMDB0040528 [0,1,0,1,0,0|0,0,0]=2 78 B12R2.1 O=CC1=CNC2=C1C=CC=C2 HMDB0029737 [0,1,0,1,0,0|1,0,1]=4 79 B12R2.18 CC1=C(C)C2=CC=CC=C2O1 HMDB0033176 [0,1,0,1,0,0|1,0,0]=3 80 B12R2.1081 CC1=CC=CC2=CC=CC=C12 HMDB0032860 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.1081 O=C1C=COC2=CC=CC=C12 HMDB0032938 [0,1,0,1,0,0|0,0,1]=3 82 B12R2.196 OC1=CC=CC2=C1COC2=O HMDB0032598 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.11 CN1C=CC=C1C=O HMDB0040582 [1,0,0,0,1,0|1,0,0]=3