0 B9R1.69 CC1=C(Br)C=NC(O)=N1 64362 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 CC1=C(N)N=C(Cl)C=C1 AT18493 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1=C(O)C=NC(Br)=N1 AT22354 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=CC(C)=NN=C1Br AT24019 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=CC(F)=C(Cl)C=N1 D72539 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=CC(I)=C(Br)C=N1 AT24028 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 CC1=CC=C(Br)C(I)=N1 AT24007 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 CC1=CN=C(Br)C(O)=C1 79186 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 CC1=CN=C(Br)C=C1C AC6563 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.69 CC1=CN=C(C)N=C1Br AT18302 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 CC1=CN=C(I)C(O)=C1 C91413 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 CC1=CN[13C](=O)NC1=O D98680 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.69 CC1=NC(Cl)=CN=C1Cl W16855 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 CC1=NC(N)=C(Cl)C=C1 P20697 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 CN1N=C(N)C=CC1=O C90705 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 CN1N=CC(Br)=CC1=O AC8898 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 ClC1=C(I)C=C(I)C=C1 AT18534 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.69 FC1=CC(Br)=C(I)C=N1 AC8140 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 FC1=CC(F)=C(Br)C=N1 F53629 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 FC1=CC(I)=C(Br)C=N1 AC9250 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 FC1=CC=C(Cl)C(Br)=N1 C91699 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 FC1=CN=C(I)C(Br)=C1 AT22417 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 NC1=C(Br)C=C(F)N=C1 C90325 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 NC1=C(Cl)C=CC(Br)=N1 C14109 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 NC1=C(Cl)C=NC(F)=C1 F31183 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 NC1=C(I)C=CC(Br)=N1 F20848 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 NC1=CC(Cl)=C(F)N=C1 D96168 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 NC1=CC(F)=C(N)C=N1 AT25925 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 NC1=CC=C(N)C(N)=N1 F18156 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.69 NC1=NC(O)=C(Cl)C=C1 AT18216 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.69 O=C1NC(Br)=CC=C1Br D75460 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.69 OC1=C(F)N=C(I)C=C1 AT19125 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 OC1=CN=C(Br)C(F)=C1 78747 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.69 SC1=C(I)C=CC(Cl)=C1 AT20870 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.69 SC1=CC(Br)=C(Cl)C=C1 AT20884 [0,0,0,0,0,0|2,1,0]=3 35 B9R1.69 SC1=CC(Cl)=CN=C1Br AT21419 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.69 [2H]C1=CC([2H])=C([2H])C=C1 D98805 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.3 CC1=NN=C(S)C=C1 AT17805 [1,0,0,0,0,0|2,1,0]=4 38 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [1,0,0,0,0,0|2,1,0]=4 39 B8R1.4 CC1=CC(I)=CN=C1 D76269 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.4 O=C1C=CC=C(I)N1 D76264 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [1,0,0,0,0,0|2,1,0]=4 45 B8R1.5 CC1=C(Br)C=NN=C1 F53722 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.5 CC1=C(N)C=CN=N1 F13599 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.5 CC1=C(N)C=CN=N1 F13600 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.5 CC1=CN=NC=C1N P19176 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 CN1C=CC=NC1=O AT19342 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 CN1C=NC=CC1=O D77055 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.5 NC1=C(S)C=NC=C1 P12634 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.5 O=C1OC=CC=C1Br AC1746 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.22 CC1=C(C)C(Cl)=NC(N)=C1 F18665 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.22 CC1=C(O)C=C(F)C=C1N AT15762 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.22 CC1=CC(Br)=C(C)C(O)=C1 AT21284 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.22 CC1=CC(Br)=CC(F)=C1F 97500 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.22 CC1=CC(Br)=CC(F)=C1O AT18860 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.22 CC1=CC(F)=C(N)C(C)=C1 AT24271 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.22 CC1=CC(F)=CC(Br)=C1I D77116 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.22 CC1=CC(F)=CC(Br)=C1O AT20022 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.22 CC1=CN(C)C(=O)C(N)=C1 D75591 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.22 CN1C=C(Br)C=C(I)C1=O AT15652 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.22 CN1C=C(Cl)C=C(Br)C1=O AC9507 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.22 NC1=C(Cl)C=C(Br)C=C1S AT20844 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.22 OC1=CC(Br)=C(I)C(Br)=C1 D76418 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.22 OC1=CC(Br)=CC(Cl)=C1Cl AT17667 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.22 [BH3-]C1=C(Cl)C=C(F)C=C1F AC9709 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.25 CC1=CC(Cl)=C(CO)C=N1 AT24662 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.25 CC1=CC(F)=C(CN)N=C1 AT25475 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.25 CC1=NC(C)=C(CCl)C=C1 93160 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.25 COC1=C(I)C=C(C)C=N1 D74393 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.25 COC1=C(N)N=C(Cl)C=C1 AT10100 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.25 COC1=NC=C(C)C=C1O D74379 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.25 FC1=C(CBr)C=CC(Br)=N1 AT21653 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.25 N#CC1=C(I)C=C(O)C=C1 D76837 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.25 OCC1=C(F)N=C(Br)C=C1 AT10214 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.30 CC1=CC=C(F)C(CBr)=N1 C92939 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24005 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24006 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.30 CCC1=C(Br)C=CC(N)=N1 AT24914 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.30 COC1=C(F)C=CC(F)=N1 AT14289 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.30 COC1=C(N)C=CC(I)=N1 AT11695 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.30 COC1=CC(O)=CN=C1Cl P11886 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.30 NCC1=C(Br)C=CC(Cl)=N1 C90983 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.30 NCC1=CC(Br)=CN=C1Cl AT10812 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.30 OC1=CC(CCl)=C(F)C=N1 W11443 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.30 OCC1=C(Br)C=CC(F)=N1 C77408 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.118 BrC1=CC(Br)=C(I)C=C1I D72708 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.118 CC1=C(N)C=C(F)C(Br)=N1 AT25038 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.118 CC1=CC(Br)=C(Br)C=C1Cl D74819 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.118 CC1=CC(Br)=C(C)N=C1O AT17044 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.118 CC1=CC(Br)=C(I)C=C1N AT21945 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.118 CC1=CC(C)=C(O)C=C1O D76388 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.118 CC1=CC(Cl)=C(C)N=C1Cl P10227 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.118 CC1=CC(I)=C(N)C=C1Cl D77240 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.118 CC1=CC(N)=C(S)C=C1C AT19660 [0,1,0,0,0,0|0,1,0]=2 109 B10R1.118 CN1C=C(Br)C(N)=CC1=O AT15649 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.118 CN1C=C(Cl)C(O)=CC1=O AT19250 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.118 NC1=CC(F)=C(N)C=C1F D77147 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.119 CC1=C(Br)C=CC(N)=C1F C90849 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.119 CC1=C(C)C(Br)=CNC1=O AT17057 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.119 CC1=C(C)C(Cl)=C(N)C=C1 AC6300 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.119 CC1=C(F)C=CC(F)=C1N AT24273 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.119 CC1=C(N)C(C)=C(O)C=C1 D76683 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.119 CC1=CC=C(F)C(Br)=C1N D96224 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.119 CC1=NC=C(N)C(C)=C1C F53662 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.119 CN1C(=O)C(O)=CN=C1Cl AT25855 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.119 CN1C=CC(I)=C(Cl)C1=O E70284 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.119 ClC1=CC=C(Br)C(Br)=C1Cl AC2656 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.119 NC1=C(F)C=CC(F)=C1N C77441 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.119 NC1=C(F)C=CC(I)=C1F D76745 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.119 NC1=CC=C(F)C(F)=C1I D77049 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.119 OC1=C(Br)C=CC(Cl)=C1Cl A51292 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.119 OC1=CC=C(Cl)C(Cl)=C1Br AT17647 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.176 C#CC1=CC(Br)=C(Br)C=C1 AT26841 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.176 C#CC1=CC(Br)=C(Cl)C=C1 AT26819 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.176 CC1=C(I)C=NC(C#N)=C1 AT18027 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.176 CC1=CC(C#N)=NC=C1N AT18016 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.176 CC1=CN=C(CCl)C=C1C F10376 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.176 CC1=CN=C(CO)C=C1N AC4836 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.176 CCC1=CC(C)=C(Br)C=N1 AT24017 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.176 COC1=CC(Br)=C(N)C=N1 AT16300 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.176 COC1=CC(I)=C(N)C=N1 C10061 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.176 COC1=NC(C)=C(F)C=C1 C74931 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [0,1,0,0,0,0|2,1,0]=4 141 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [0,1,0,0,0,0|2,1,0]=4 142 B10R1.176 N#CC1=CC(S)=C(N)C=C1 AT19654 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.176 NC1=C(Br)C=NC(CO)=C1 P13384 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.176 OCC1=CC(Br)=C(F)C=N1 D73852 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.176 OCC1=CC=C(F)C(Br)=N1 54868 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.176 OCC1=NC(F)=C(Br)C=C1 AT22911 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.18 CN1C=C(Br)C=C1N AT16239 [0,0,0,0,1,0|3,0,0]=4 153 B8R1.18 CN1N=C(O)C=C1Cl AT14035 [0,0,0,0,1,0|3,0,0]=4 154 B8R1.50 CC1=C(C)C(Br)=NO1 C11053 [0,0,0,0,1,0|3,0,0]=4 155 B8R1.50 CC1=NC=C(N)N1C AT15327 [0,0,0,0,1,0|3,0,0]=4 156 B8R1.50 CC1=NOC(Br)=C1C AT19747 [0,0,0,0,1,0|3,0,0]=4 157 B8R1.50 CN1C(N)=CC=C1N F52184 [0,0,0,0,1,0|3,0,0]=4 158 B8R1.50 CN1N=CC(O)=C1Cl AT25130 [0,0,0,0,1,0|3,0,0]=4 159 B7R1.3 SC1=CN=CC=C1 AT26584 [2,0,0,0,0,0|1,1,0]=4 160 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.2 BrCC1=NC=CC(Br)=C1 AT15450 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.2 FC1=CC(CBr)=NC=C1 AC8274 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.2 NCC1=NC=CC(F)=C1 N13372 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.2 NCC1=NC=CC(O)=C1 79355 [1,1,0,0,0,0|1,0,0]=3 170 B9R1.3 CC1=CC=CC(O)=C1S D87757 [1,1,0,0,0,0|0,0,0]=2 171 B9R1.3 CC1=CC=CC(S)=C1Cl AT20810 [1,1,0,0,0,0|0,1,0]=3 172 B9R1.3 CC1=NC=CC(O)=C1N D75564 [1,1,0,0,0,0|1,0,0]=3 173 B9R1.3 NC1=CC=CC(I)=C1F AT12784 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.3 O=C1NC=CC(O)=C1Br D87597 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.3 OC1=C(Br)C=CC=C1S AT20877 [1,1,0,0,0,0|1,1,0]=4 176 B9R1.3 OC1=CN=CC(Cl)=C1I D73511 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.3 OC1=NC=CC(Br)=C1Cl AT12833 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.3 SC1=C(Br)C=CC=C1Cl AT20840 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.3 [2H]C1=CC=CC([2H])=C1[2H] D97879 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.3 [BH3-]C1=C(F)C=CC=C1N AC9155 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.3 [BH3-]C1=CC=CN(C)C1=O AC8669 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.34 CC1=CC(F)=CC(Br)=N1 AT24856 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.34 ClC1=CC(I)=CC(I)=C1 D75154 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.15 CC1=C(CCl)C=CN=N1 F30532 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.15 CC1=C(CCl)C=NN=C1 F30428 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.15 CC1=C(CN)C=CN=N1 F50140 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.15 CC1=C(CN)N=NC=C1 P13738 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.15 CC1=C(CO)C=NN=C1 F30427 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.15 CC1=CC=NN=C1CCl F50901 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.15 CC1=CC=NN=C1CO F50171 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.15 CC1=CN=NC=C1CN P12550 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.15 CC1=NC=NC=C1CN F31022 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [1,1,0,0,0,0|0,0,1]=3 194 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.15 NCC1=CC=CNC1=O D76881 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.22 CC1=CC(CN)=C(C)N1 D77198 [0,1,0,0,1,0|2,0,0]=4 197 B9R1.27 CC1=COC(C)=C1CN AT17545 [0,1,0,0,1,0|2,0,0]=4 198 B11R1.8 CC1=CC(Br)=C(C)C(CO)=C1 AT21291 [0,2,0,0,0,0|1,0,0]=3 199 B11R1.8 CC1=CC(N)=CC(C#N)=C1Br AT21406 [0,2,0,0,0,0|2,0,0]=4 200 B11R1.8 CNC1=C(N)C(C)=CC(Br)=C1 AT24316 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.8 CNC1=CC(Br)=CC(F)=C1N AT21479 [0,2,0,0,0,0|2,0,0]=4 202 B11R1.8 COC1=C(Cl)C(C)=CC(Br)=C1 AT17651 [0,2,0,0,0,0|2,0,0]=4 203 B11R1.8 COC1=C(F)C(C)=CC(N)=C1 D96231 [0,2,0,0,0,0|2,0,0]=4 204 B11R1.8 COC1=CC(Br)=CC(Cl)=C1Cl AT17654 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.8 COC1=CC(F)=CC(F)=C1Br AC9852 [0,2,0,0,0,0|2,0,0]=4 206 B11R1.8 FC1=C(F)C(CBr)=CC(Br)=C1 AT21468 [0,2,0,0,0,0|2,0,0]=4 207 B11R1.14 CC1=C(Br)C=C(CBr)C=C1F D96263 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.14 CC1=CC(C=O)=CC(C)=C1C E10158 [0,2,0,0,0,0|0,0,1]=3 209 B11R1.14 COC1=CC(Br)=C(I)C(Br)=C1 D76525 [0,2,0,0,0,0|2,0,0]=4 210 B11R1.32 CC1=C(C)C(Br)=CN(C)C1=O AT17059 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.32 CC1=CC(Br)=C(C)N(C)C1=O AT17049 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.464 CC1=CC(Br)=CC(Br)=C1C=O AC9739 [0,2,0,0,0,0|1,0,1]=4 213 B11R1.464 CNC1=C(Cl)C=C(I)C=C1Cl AT25409 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.464 COC1=C(C)C=C(O)C=C1C AT19450 [0,2,0,0,0,0|0,0,0]=2 215 B11R1.464 COC1=C(O)C=C(I)C=C1C AT22246 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.464 FC1=CC(Br)=CC(Cl)=C1CBr 88215 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.464 OCC1=C(I)C=C(F)C=C1I AT18553 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.37 BrCC1=CC(Br)=CN=C1CBr F30571 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.37 C#CC1=C(OC)C=CC(N)=C1 AT26781 [0,2,0,0,0,0|1,0,1]=4 220 B11R1.37 CCC1=C(C=O)C=C(O)C=C1 C91311 [0,2,0,0,0,0|0,0,1]=3 221 B11R1.37 COC1=NC=C(Br)C=C1CN Y14112 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.37 ClCC1=CN=C(Cl)C=C1CCl AT14346 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.37 NCC1=C(CO)C=C(Cl)C=C1 P16919 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.37 OCC1=CN=C(Cl)C=C1CO AT14345 [0,2,0,0,0,0|2,0,0]=4 225 B11R1.81 FC1=C(CCBr)C=CC(Br)=C1 AC8494 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.166 CC(C)C1=C(F)C=C(N)C=C1 AT16598 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.166 CC1=C(C(F)F)C=CC(Br)=N1 AT23997 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [0,2,0,0,0,0|2,0,0]=4 230 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.166 CC1=CC(Cl)=C([C@H](C)Br)C=C1 AT15344 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91974 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91977 [0,2,0,0,0,0|2,0,0]=4 235 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92027 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92048 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Br)C=C1 D96375 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.166 [2H]C1=C(N(C)C)C=CC(Cl)=C1 AC5651 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.166 [2H]C1=C(N(C)C)C=CC(F)=C1 AC5650 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.277 CC1=CC(CBr)=C(Br)C=C1F D96257 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.277 CC1=CC(Cl)=C(O)C=C1C#N F52469 [0,2,0,0,0,0|0,0,1]=3 242 B11R1.277 CC1=CC(F)=C(Br)C=C1CBr D96270 [0,2,0,0,0,0|1,0,0]=3 243 B11R1.277 COC1=C(Br)C=C(O)C(C)=C1 AC9292 [0,2,0,0,0,0|1,0,0]=3 244 B11R1.277 COC1=C(I)C=C(Cl)C(F)=C1 AT17645 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.277 COC1=C(I)C=C(F)C(Cl)=C1 AT17644 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.277 COC1=CC(=O)N(C)C=C1Br C90979 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.277 FC1=CC(Br)=C(F)C=C1CCl AT12601 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.277 N#CC1=CC(F)=C(N)C=C1O AT25968 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.277 O=CC1=CC(F)=C(Br)C=C1O D74883 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.277 OCC1=CC(Cl)=C(Br)C=C1F AT21948 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.278 CC1=C(C=O)C=CC(Br)=C1F 97128 [0,2,0,0,0,0|1,0,1]=4 252 B11R1.278 CC1=C(C=O)C=CC(O)=C1Cl D96245 [0,2,0,0,0,0|0,0,1]=3 253 B11R1.278 CC1=C(N)C=CC(CO)=C1C AT26540 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.278 CC1=C(O)C=CC(C#N)=C1N C11545 [0,2,0,0,0,0|1,0,1]=4 255 B11R1.278 CNC1=C(N)C(C)=C(Br)C=C1 AT24315 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.278 COC1=C(C)C(N)=C(N)C=C1 F51130 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.278 COC1=CC=C(Cl)C(Cl)=C1Br AT26786 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 43820 [0,2,0,0,0,0|1,0,0]=3 259 B11R1.279 COC1=NC(C)=C(CN)C=C1 D96461 [0,2,0,0,0,0|1,0,0]=3 260 B11R1.72 CC1=C(F)C=CC(F)=C1C#N D96181 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.72 CC1=C(N)C=CC(Br)=C1C#N 51689 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.72 COC1=C(Br)C=CC(N)=C1N D75051 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.72 FC1=C(Br)C(CBr)=C(F)C=C1 C90830 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.72 FC1=C(CBr)C(F)=C(Br)C=C1 AT21469 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.72 N#CC1=C(Br)C=CC(O)=C1F AT25546 [0,2,0,0,0,0|1,0,1]=4 266 B11R1.72 NC1=C(CO)C(Cl)=C(F)C=C1 AT25627 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.72 OCC1=C(Cl)C=CC(F)=C1Cl AC8047 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.72 OCC1=C(F)C=CC(F)=C1Br C90853 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 O10299 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.167 CC(=O)C1=C(C)N=CC(N)=C1 O10300 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.167 CC1=CC(C(C)C)=C(N)C=C1 F52420 [0,2,0,0,0,0|2,0,0]=4 272 B11R1.167 CC1=CC([C@H](C)N)=C(Br)C=C1 C92014 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.167 CC1=CC([C@H](C)N)=C(Br)C=C1 C92021 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.167 C[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91966 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.167 C[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91970 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 AT24142 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 AT24143 [0,2,0,0,0,0|2,0,0]=4 278 B11R1.167 C[C@H](N)C1=C(F)C=CC(Cl)=C1 N13234 [0,2,0,0,0,0|2,0,0]=4 279 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 50793 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.167 NC1=C(C(F)F)C=C(Br)C=C1 AT22859 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.167 NC1=CC(C(F)F)=C(Br)C=C1 AT22857 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.167 NC1=CC(C(F)F)=C(O)C=C1 AT26539 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.167 OC1=C(C(F)F)C=C(F)C=C1 79333 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.182 C=CCC1=C(O)C=CC(Cl)=C1 D73872 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13430 [0,2,0,0,0,0|1,0,0]=3 286 B11R1.182 N#CCC1=C(F)C=CC(O)=C1 AC9338 [0,2,0,0,0,0|1,0,0]=3 287 B11R1.182 N#CCC1=C(I)C=CC(Br)=C1 AT16623 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.280 COC1=C(S)C=CC(C#N)=C1 C91011 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.280 COC1=CC(CCl)=C(Br)C=N1 54626 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.280 COC1=NC(CO)=C(N)C=C1 AT21793 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.280 N#CC1=C(O)C=CC(CO)=C1 D76207 [0,2,0,0,0,0|1,0,1]=4 292 B11R1.21 CC1=C(F)C=CC(B(O)O)=N1 AT15847 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,2,0,0,0,0|1,0,0]=3 294 B11R1.21 CC1=CC(C(=O)O)=NN=C1C AT17788 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [0,2,0,0,0,0|1,0,1]=4 296 B9R1.21 C=CC1=CC(OC)=NO1 AT19569 [0,0,1,1,0,0|2,0,0]=4 297 B11R2.36 BrC1=CN=C2CNCC2=C1 38862 [0,1,0,1,0,0|2,0,0]=4 298 B11R2.36 BrC1=CN=C2COCC2=C1 AT20344 [0,1,0,1,0,0|2,0,0]=4 299 B11R2.36 BrC1=NC=C2CNCC2=C1 P19418 [0,1,0,1,0,0|2,0,0]=4 300 B11R2.36 ClC1=CN=C2CCCC2=C1 85958 [0,1,0,1,0,0|2,0,0]=4 301 B11R2.36 ClC1=NC=C2CNCC2=C1 P11523 [0,1,0,1,0,0|2,0,0]=4 302 B11R2.36 OC1=CC2=C(COC2)N=C1 AT20345 [0,1,0,1,0,0|1,0,0]=3 303 B11R2.36 OC1=CN=C2NCCC2=C1 AC9486 [0,1,0,1,0,0|1,0,0]=3 304 B11R2.36 OC1=NC=C2CCNC2=C1 C16198 [0,1,0,1,0,0|1,0,0]=3 305 B11R2.117 N[C@H]1CC2=C1C=C(F)C=C2 AT11821 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.2 CC1=CC=C(N)S1 32908 [1,0,0,0,1,0|2,0,0]=4 307 B7R1.2 CC1=CN(N)C=C1 AT24000 [1,0,0,0,1,0|2,0,0]=4 308 B7R1.4 CC1=C(N)C=CS1 86771 [1,0,0,0,1,0|2,0,0]=4 309 B7R1.4 CC1=C(N)C=CS1 AT25979 [1,0,0,0,1,0|2,0,0]=4 310 B7R1.4 CC1=C(O)C=CS1 AT26691 [1,0,0,0,1,0|1,0,0]=3