0 B8R0.4 CCCCCOCCO MC437002 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.4 CCC\C=C\C=C\CO CS17006 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,1,0,0,0,0|3,0,0]=4 3 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [0,1,0,0,0,0|2,0,1]=4 4 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.8 CCCC1=CC=CN=C1 CS22402 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.8 CCNC1=CC=CC=C1 MC40913 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.8 CCOC1=NC=CC=C1 CS18732 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.8 CNCC1=CC=CC=C1 MC10559 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.8 CNCC1=CC=CC=C1 MC20323 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.8 CNCC1=CC=CC=C1 MC21006 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.8 CNCC1=CC=CN=C1 CS18846 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.8 COCC1=NC=CC=C1 CS20909 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.8 FCCC1=CC=CC=C1 MC41557 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.8 NCCC1=CC=CC=C1 MC40983 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.8 NCCC1=CC=CN=C1 CS21892 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.8 NCCC1=NC=CC=C1 CS14064 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.8 OCCC1=CC=CC=C1 MC40745 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.12 CCOCC1=CC=CO1 CS17009 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.14 CCN1N=CN=C1CO MC100296 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.15 CC1=C(CBr)C=CC=C1 CS14791 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.15 CC1=C(CN)C=CC=C1 MC33216 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.15 CC1=C(CO)C=NC=C1 MC443666 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.15 CC1=CC=CN=C1CO CS19225 [0,0,0,1,0,0|1,0,2]=4 25 B9R1.15 CC1=NC=CC=C1CCl MC104832 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.15 CC1=NC=CC=C1CN MC102930 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.15 CC1=NC=CC=C1CO CS20145 [0,0,0,1,0,0|1,0,1]=3 28 B9R1.15 CCC1=C(Br)C=CC=C1 CS20980 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.15 CCC1=C(N)C=CC=C1 MC40911 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.15 COC1=C(O)C=CC=C1 MC41202 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.15 NC1=C(CO)C=CC=C1 CS19122 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.15 NC1=NC=CC=C1CO CS13983 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.15 NCC1=C(O)C=CC=C1 CS20889 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.15 OCC1=C(Br)C=CC=C1 CS18828 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.15 OCC1=C(Cl)C=CC=C1 CS21494 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.15 OCC1=C(F)C=CC=C1 MC33139 [0,0,0,1,0,0|1,0,2]=4 38 B9R1.15 OCC1=C(I)C=CC=C1 CS19102 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.15 OCC1=C(O)C=CC=C1 CS16243 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.15 OCC1=CC=CN=C1Cl CS14328 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.15 OCC1=CC=CN=C1F CS18697 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.33 CN1C=CC=C1CCO MC106498 [0,0,0,1,0,0|1,0,2]=4 43 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.1 CCOC(=O)\C=C\CO MC103341 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [1,1,0,0,0,0|1,0,1]=4 46 B8R1.2 BrCC1=CCCCC1 MC103521 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.2 CCC1=CC=CC=C1 MC41556 [1,0,0,1,0,0|0,0,2]=4 48 B8R1.2 CCC1=CC=CN=C1 CS22277 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.2 OCC1=CC=CC=C1 MC40684 [1,0,0,1,0,0|0,0,2]=4 50 B8R1.2 OCC1=CC=CN=C1 CS22409 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.2 OCC1=CC=CN=N1 CS21870 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 OCC1=NC=CC=C1 CS19164 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.2 OCC1CCC=CO1 MC20505 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.5 CC1=CC=CC=C1C MC41549 [1,0,0,1,0,0|0,0,2]=4 55 B8R1.5 CC1=CC=CC=C1O CS11813 [1,0,0,1,0,0|0,0,2]=4 56 B8R1.5 CC1=CC=CN=C1C CS21050 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.5 CC1=NC=CC=C1O MC20374 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.8 CCCC1=NC=CN1 CS14621 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,1,0,0|1,1,0]=4 60 B8R1.11 CN1C=CN=C1CO CS13833 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|0,0,2]=4 62 B10R1.10 CCCc1cccc(F)c1 MC440476 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.10 CCOC1=CC(=O)CCC1 MC428210 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.25 CC1=C(CO)C=CC(Br)=C1 MC433849 [0,1,0,1,0,0|0,0,2]=4 67 B10R1.25 CC1=NC(F)=CC=C1CO MC431864 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.96 COCC1=NC=C(CO)S1 MC107567 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.245 CC1=CC=CC(C)=C1CO CS10906 [0,1,0,1,0,0|0,0,2]=4 70 B10R1.245 CCC1=C(O)C=CC=C1N MC442227 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [0,1,0,1,0,0|0,0,2]=4 72 B10R1.4 CCOC1=CC=CN=C1O MC110935 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [0,1,0,1,0,0|0,0,2]=4 74 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.30 CC1=C(CO)C=C(I)C=C1 MC425423 [0,1,0,1,0,0|0,0,2]=4 76 B10R1.20 CNC1=NC=CC=C1CO CS10541 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.20 COC1=NC=CC=C1CO CS13650 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.20 NCC1=C(CO)C=CC=C1 CS13269 [0,1,0,1,0,0|0,0,2]=4 79 B10R1.20 NCC1=NC=CC=C1CO MC33469 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.20 OCC1=C(CBr)C=CC=C1 CS17090 [0,1,0,1,0,0|0,0,2]=4 81 B10R1.20 OCC1=CC=CC=C1CO MC433840 [0,1,0,1,0,0|0,0,2]=4 82 B10R1.20 OCC1=CC=CN=C1CO MC41610 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.2 CC1=C(CO)C=CC=C1Br MC40689 [0,1,0,1,0,0|0,0,2]=4 85 B10R1.2 CC1=C(O)C=CC=C1CO MC425562 [0,1,0,1,0,0|0,0,2]=4 86 B10R1.2 CC1=CC=CC(CO)=C1C CS20113 [0,1,0,1,0,0|0,0,2]=4 87 B10R1.2 CCC1=C(O)C(F)=CC=C1 MC431776 [0,1,0,1,0,0|0,0,2]=4 88 B10R1.2 CCC1=C(O)C(O)=CC=C1 MC442025 [0,1,0,1,0,0|0,0,2]=4 89 B10R1.2 CCC1=CC=CC(Br)=C1O MC442827 [0,1,0,1,0,0|0,0,2]=4 90 B10R1.2 CCC1=CC=CC(Cl)=C1O MC441042 [0,1,0,1,0,0|0,0,2]=4 91 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,1,0,1,0,0|1,0,1]=4 92 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,1,0,1,0,0|1,0,1]=4 93 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.172 CNC1=CC=CC(CO)=C1 MC115827 [0,1,0,1,0,0|1,0,1]=4 95 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.172 NCC1=CC=CC(CO)=N1 MC431477 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.172 OCC1=CC(CBr)=CC=C1 CS10867 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.172 OCC1=CC=CC(CO)=N1 MC10441 [0,1,0,1,0,0|1,0,1]=4 99 B10R1.172 OCC1=NC(CBr)=CC=C1 MC443255 [0,1,0,1,0,0|1,0,1]=4 100 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [0,0,0,2,0,0|0,0,2]=4 101 B10R2.7 C1=CN=C2CCCC2=C1 CS14838 [0,0,0,2,0,0|1,0,1]=4