0 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.5 CC1=CN=NC=C1N P18597 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,1,0,0,0,0|2,1,0]=4 13 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,1,0,0,0,0|2,1,0]=4 14 B10R1.2 COC1=C(F)C(F)=NC=C1 D79419 [0,1,0,0,0,0|2,1,0]=4 15 B10R1.2 COC1=CN=CC(Br)=C1N D84818 [0,1,0,0,0,0|2,1,0]=4 16 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.4 FC1=C(C#CBr)C=CC=C1 D79955 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.20 COC1=NC=NC=C1CO F30437 [0,1,0,0,0,0|2,1,0]=4 21 B10R1.20 COC1=NN=CC=C1CO F30441 [0,1,0,0,0,0|2,1,0]=4 22 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.25 N#CC1=NC=C(Cl)C=C1O CS3060 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.30 CCC1=CC(=O)NC=C1Br D85725 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [0,1,0,0,0,0|2,1,0]=4 29 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [0,1,0,0,0,0|2,1,0]=4 30 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [0,1,0,0,0,0|2,1,0]=4 31 B10R1.30 COC1=CC(F)=CN=C1N D70750 [0,1,0,0,0,0|2,1,0]=4 32 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.30 CSC1=CC(F)=CN=C1Br D79793 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.30 O=CC1=CC(F)=CN=C1O AT21536 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.61 CC(C)C1=C(Br)C=NC=C1 AT12875 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.245 C=CC1=C(Cl)C=CN=C1O P18283 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.245 COC1=C(F)C=CN=C1N D82404 [0,1,0,0,0,0|2,1,0]=4 45 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [0,1,0,0,0,0|2,1,0]=4 46 B10R1.245 N#CC1=C(O)C=CC=C1N AT15778 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.245 N#CC1=C(O)C=CC=C1O Y14713 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.245 N#CC1=C(O)C=CN=C1Br W13343 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.245 NCC1=C(Br)C=CC=C1Br Y14043 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.11 CCN1N=CC=C1O AT26527 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.3 CC1=C(Br)C=CN=C1Br 78889 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.3 CC1=C(Br)C=CNC1=O P17354 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.3 CC1=NC=CC(N)=C1F C73011 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.3 ClC1=C(I)C=CC=C1Br D70758 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.3 NC1=C(Cl)C(O)=CC=N1 68930 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.3 NC1=CC=CC(Br)=C1S 91081 [1,1,0,0,0,0|1,0,0]=3 59 B9R1.3 NC1=CC=CC(O)=C1I 79304 [1,1,0,0,0,0|1,0,0]=3 60 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.3 NC1=NC=CC(Br)=C1O RB1100 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.3 O=C1C(O)=CNC=C1F P16035 [1,1,0,0,0,0|1,1,0]=4 63 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.69 CN1C=C(O)C=CC1=O P17267 [1,1,0,0,0,0|1,0,1]=4 70 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.69 OC1=C(F)C=CC(Cl)=N1 CS2298 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.69 OC1=C(I)C=CC(Br)=N1 AC4863 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.69 OC1=C(I)C=NC(Cl)=C1 37869 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [0,2,0,0,0,0|1,0,0]=3 75 B11R1.72 COC1=C(N)C=CC(Br)=C1F AT10284 [0,2,0,0,0,0|1,1,0]=4 76 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.159 CC(C)C1=CC=CC(F)=C1N W13839 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1F Y11583 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.265 OCC1=CC=CC(Br)=C1CO 97055 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 78920 [0,2,0,0,0,0|1,1,0]=4 81 B11R1.267 COC1=C(F)C(CO)=CC=C1 W18563 [0,2,0,0,0,0|1,1,0]=4 82 B11R1.267 N#CC1=CC=CC(C=O)=C1O Y14731 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.278 COC1=C(N)C(C)=C(Br)C=C1 68945 [0,2,0,0,0,0|1,1,0]=4 84 B11R1.278 O=CC1=C(O)C(F)=C(Br)C=C1 F53695 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.17 CO\N=C\C1=C(N)C=CC=C1 D79908 [0,2,0,0,0,0|1,1,0]=4 86 B11R1.41 N#CC1=C(CCN)C=CC=C1 59512 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [0,2,0,0,0,0|0,1,0]=3 89 B11R1.37 CSC1=CC(C)=CN=C1CCl 79441 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y12202 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y14118 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 38167 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 20175 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11759 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11760 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.277 CCC1=C(Br)C=C(F)C(O)=C1 70403 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.277 COC1=CC(=O)C(C)=CC1=O A10831 [0,2,0,0,0,0|0,1,1]=4 98 B11R1.277 N#CC1=CC(F)=C(Br)C=C1O CL9666 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.464 CC1=CC(Br)=CC(O)=C1C=O C72676 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.167 CC(C)C1=C(N)C=CC(F)=C1 W13840 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11917 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11918 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12486 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12487 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12997 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [0,2,0,0,0,0|1,0,0]=3 107 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.156 CC1=CC=CC(Cl)=C1[C@H](C)N Y11567 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F Y13258 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F Y13280 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.156 OB(O)C1=C(O)C=CC=C1O 24193 [0,2,0,0,0,0|2,0,0]=4 112 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [0,1,0,1,0,0|2,0,0]=4 113 B11R2.106 ClC1=C2C=CCC2=CC=C1 53579 [0,1,0,1,0,0|2,0,0]=4 114 B11R2.106 FC1=C2C=COC2=CC=C1 78779 [0,1,0,1,0,0|1,0,1]=4 115 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [0,1,0,1,0,0|1,0,0]=3 116 B11R2.106 NC1=C2OC=NC2=CC=C1 O11690 [0,1,0,1,0,0|1,0,1]=4 117 B11R2.106 NC1=C2ON=CC2=CC=C1 O11689 [0,1,0,1,0,0|2,0,0]=4 118 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [0,1,0,1,0,0|1,0,0]=3 119 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [0,1,0,1,0,0|1,0,0]=3 120 B11R2.106 OC1=CC=CC2=C1C=CO2 53817 [0,1,0,1,0,0|1,0,1]=4 121 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [0,1,0,1,0,0|2,0,0]=4 122 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [0,1,0,1,0,0|1,0,0]=3 123 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [0,1,0,1,0,0|1,0,0]=3 124 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [0,1,0,1,0,0|2,0,0]=4 125 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [0,1,0,1,0,0|1,0,0]=3 126 B11R2.36 BrC1=CN=C2OCOC2=C1 E10108 [0,1,0,1,0,0|1,1,0]=4 127 B11R2.36 CC1=CC2=C(C=C1)SC=N2 AT10317 [0,1,0,1,0,0|1,0,1]=4 128 B11R2.36 NC1=CC2=C(C=C1)C=NS2 AC7467 [0,1,0,1,0,0|2,0,0]=4 129 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [0,1,0,1,0,0|1,0,1]=4 130 B11R2.36 NC1=CC=C2CCOC2=N1 AT22072 [0,1,0,1,0,0|2,0,0]=4 131 B11R2.36 NC1=CC=C2OCOC2=N1 P19024 [0,1,0,1,0,0|1,1,0]=4