0 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.25 CC1=CC(F)=C(C=O)N=C1 AT25473 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.69 CN1C=C(O)C=CC1=O P17267 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [1,0,0,0,0,0|2,1,0]=4 15 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.37 COC1=NC=C(Cl)C=C1CN 79399 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.37 CSC1=CC(C)=CN=C1CCl 79441 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 38167 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 20175 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11759 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11760 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.277 CCC1=C(Br)C=C(F)C(O)=C1 70403 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.277 COC1=CC(=O)C(C)=CC1=O A10831 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.278 CCN1C=CC(=O)C(O)=C1C 79576 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.278 COC1=C(Cl)C(=O)N(C)N=C1 W11363 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.278 COC1=C(N)C(C)=C(Br)C=C1 68945 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.278 COC1=NC=C(C)C(N)=C1C P19442 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.279 COC1=C(Cl)C=C(CCl)N=C1 79209 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.279 COC1=NC(C)=C(CN)C=C1 Y14150 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.464 CC1=CC(Br)=CC(O)=C1C=O C72676 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.464 COC1=C(Br)N=C(I)C=C1I Y14875 [0,1,0,0,0,0|3,0,0]=4 32 B11R2.36 BrC1=CN=C2OCOC2=C1 E10108 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.36 CC1=CC2=C(C=C1)SC=N2 AT10317 [0,0,0,1,0,0|1,1,1]=4 34 B11R2.36 NC1=CC=C2OCOC2=N1 P19024 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.176 COC1=CC(Br)=C(N)N=C1 P19026 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.176 COC1=CC(F)=C(Br)C=N1 P17805 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.176 COC1=CC(N)=C(F)C=N1 C75734 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.2 COC1=C(F)C(F)=NC=C1 D79419 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.2 COC1=CN=CC(Br)=C1N D84818 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.20 COC1=C(CCl)C=CN=N1 F30442 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.20 COC1=NC=NC=C1CO F30437 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.20 COC1=NN=CC=C1CO F30441 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.30 COC1=CC(F)=CN=C1N D70750 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.245 COC1=C(F)C=CN=C1N D82404 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.22 CC1=C(C)C(O)=CC(=O)N1 C76715 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 D82138 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.22 CC1=C(Cl)C=C(Cl)C=C1N AC8599 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.22 CC1=CC(Cl)=CC(O)=C1I 72277 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.22 CC1=CC(N)=CC(Br)=C1C 55933 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.118 CC1=C(Br)C=C(O)C(N)=C1 79590 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.118 CC1=CC(=O)N(C)C=C1Br AC9836 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.118 CC1=CC(I)=C(N)C=C1Br AT14614 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.118 CC1=CC(N)=C(C)N=C1Cl 79484 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.118 CC1=CC(O)=C(Cl)C=C1O A11096 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.118 NC1=C(Br)C=C(O)C(F)=C1 D80092 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.119 CC1=C(Br)C=CC(N)=C1O P20177 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.119 CC1=C(F)C=CC(O)=C1N D75565 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.119 CC1=CC=C(C)C(N)=C1C C13892 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.119 CC1=CC=C(F)C(C)=C1Br D74747 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.119 CC1=CC=C(N)C(C)=C1I AC9073 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.119 CC1=CN=C(N)C(C)=C1C D80400 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O O10301 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.46 COC1=NC=C(F)C=C1[C@H](C)N Y12431 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.69 CN\C=N\C1=C(C)C=C(C)C=C1 D80007 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=N1 D79779 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.1703 COC(=O)C1=C(Br)C=C(C)N=C1 AT25160 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.1703 COC(=O)C1=C(N)N=C(C)C=C1 D82960 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.1703 COC(=O)C1=NC=C(C)C=C1N D96703 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.1703 COC(=O)C1=NC=C(N)C=C1C P13246 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y12288 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13671 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13674 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13965 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.653 COC1=C(C)C(N)=C(C#N)C=C1 C11663 [0,2,0,0,0,0|0,0,1]=3 91 B12R1.48 COC1=C(Cl)C=C([C@H](C)N)C=C1 Y14818 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13735 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13736 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y14318 [0,2,0,0,0,0|1,0,0]=3 95 B12R2.24 ClC1=CC2=C(C=C1)CCOC2 Y14506 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.24 ClC1=NC2=C(C=C1)COCC2 83359 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13240 [0,1,0,1,0,0|1,0,0]=3 98 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13296 [0,1,0,1,0,0|1,0,0]=3 99 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y10762 [0,1,0,1,0,0|1,0,0]=3 100 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y14815 [0,1,0,1,0,0|1,0,0]=3 101 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [0,1,0,1,0,0|1,0,1]=4 102 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 Y11203 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 C12642 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.44 O=CC1=CC2=C(C=C1)NCC2 F16225 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.50 CC1=CSC(C)=C1Br O10952 [1,0,0,0,1,0|2,0,0]=4