0 B8R1.3 CC1=NN=C(S)C=C1 AT17805 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.3 SC1=CN=CC=C1 AT26584 [1,0,0,0,0,0|1,1,0]=3 3 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [0,1,0,0,0,0|3,0,0]=4 4 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.1 OCC1=CN=C(Br)N=C1 D76260 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.69 CC1=C(Br)C=NC(O)=N1 64362 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.69 CC1=C(N)N=C(Cl)C=C1 AT18493 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.69 CC1=C(O)C=NC(Br)=N1 AT22354 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.69 CC1=CC(F)=C(Cl)C=N1 D72539 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.69 CC1=CC(I)=C(Br)C=N1 AT24028 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.69 CC1=CC=C(Br)C(I)=N1 AT24007 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.69 CC1=CN=C(Br)C(O)=C1 79186 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.69 CC1=CN=C(Br)C=C1C AC6563 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.69 CC1=CN=C(I)C(O)=C1 C91413 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.69 CC1=NC(N)=C(Cl)C=C1 P20697 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.69 ClC1=C(I)C=C(I)C=C1 AT18534 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.69 FC1=CC(Br)=C(I)C=N1 AC8140 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.69 FC1=CC(F)=C(Br)C=N1 F53629 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.69 FC1=CC(I)=C(Br)C=N1 AC9250 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.69 FC1=CC=C(Cl)C(Br)=N1 C91699 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.69 FC1=CN=C(I)C(Br)=C1 AT22417 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.69 NC1=C(Br)C=C(F)N=C1 C90325 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.69 NC1=C(Cl)C=CC(Br)=N1 C14109 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.69 NC1=C(Cl)C=NC(F)=C1 F31183 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.69 NC1=C(I)C=CC(Br)=N1 F20848 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.69 NC1=C(O)C=NC(Cl)=N1 AC7385 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.69 NC1=CC(Cl)=C(F)N=C1 D96168 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.69 NC1=CC(F)=C(N)C=N1 AT25925 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.69 NC1=CC=C(N)C(N)=N1 F18156 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.69 NC1=NC(O)=C(Cl)C=C1 AT18216 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.69 O=C1NC(Br)=CC=C1Br D75460 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.69 OC1=C(F)N=C(I)C=C1 AT19125 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.69 OC1=CN=C(Br)C(F)=C1 78747 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.69 SC1=C(I)C=CC(Cl)=C1 AT20870 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.69 SC1=CC(Br)=C(Cl)C=C1 AT20884 [0,1,0,0,0,0|1,1,0]=3 39 B9R1.69 SC1=CC(Cl)=CN=C1Br AT21419 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.69 [2H]C1=CC([2H])=C([2H])C=C1 D98805 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.2 CC1=CC=C(N)S1 32908 [0,0,0,0,1,0|3,0,0]=4 42 B7R1.2 CC1=CN(N)C=C1 AT24000 [0,0,0,0,1,0|3,0,0]=4 43 B7R1.2 NC1=CC(F)=CS1 AT16866 [0,0,0,0,1,0|3,0,0]=4 44 B7R1.2 NC1=CC=C(N)N1 F52185 [0,0,0,0,1,0|3,0,0]=4 45 B7R1.2 NC1=CSC(Br)=C1 P11848 [0,0,0,0,1,0|3,0,0]=4 46 B6R1.1 [13CH]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 41443 [2,0,0,0,0,0|0,0,0]=2 47 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.4 CC1=CC(I)=CN=C1 D76269 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [1,1,0,0,0,0|1,0,1]=4 51 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [1,1,0,0,0,0|1,0,0]=3 52 B8R1.4 O=C1C=CC=C(I)N1 D76264 [1,1,0,0,0,0|1,0,1]=4 53 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [1,1,0,0,0,0|1,1,0]=4 54 B8R1.5 NC1=C(S)C=NC=C1 P12634 [1,1,0,0,0,0|1,1,0]=4 55 B8R1.5 O=C1OC=CC=C1Br AC1746 [1,1,0,0,0,0|1,0,1]=4 56 B8R1.5 OC1=C(Br)C=NN=C1 D72174 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,1,0,0,0,0|1,0,0]=3 58 B8R1.1 COC1=CC(Br)=CS1 P19567 [0,1,0,0,1,0|2,0,0]=4 59 B8R1.1 COC1=NOC(O)=C1 AT19567 [0,1,0,0,1,0|2,0,0]=4 60 B8R1.1 OCC1=CC(F)=CS1 D74661 [0,1,0,0,1,0|2,0,0]=4 61 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [0,1,0,0,1,0|2,0,0]=4 62 B8R1.1 OCC1=CC=C(F)O1 55270 [0,1,0,0,1,0|2,0,0]=4 63 B8R1.1 OCC1=COC(Br)=C1 AT23870 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.1 OCCC1=NC=C(O)C=N1 72918 [0,2,0,0,0,0|2,0,0]=4 66 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.3 [C-]#[N+]C1=CN=C(OC)C=C1 AC9404 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 72720 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,2,0,0,0,0|1,0,1]=4 73 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,2,0,0,0,0|1,0,1]=4 74 B10R1.13 O=C(O)C1=NC=C(O)C=N1 H11150 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.25 CC1=CC(Cl)=C(CO)C=N1 AT24662 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.25 COC1=C(I)C=C(C)C=N1 D74393 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.25 COC1=C(N)N=C(Cl)C=C1 AT10100 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.25 COC1=NC=C(C)C=C1O D74379 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [0,2,0,0,0,0|1,1,0]=4 83 B10R1.25 N#CC1=C(I)C=C(O)C=C1 D76837 [0,2,0,0,0,0|1,0,0]=3 84 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.25 OCC1=C(F)N=C(Br)C=C1 AT10214 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.176 C#CC1=CC(Br)=C(Br)C=C1 AT26841 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.176 C#CC1=CC(Br)=C(Cl)C=C1 AT26819 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.176 CC1=CN=C(CO)C=C1N AC4836 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.176 COC1=CC(Br)=C(N)C=N1 AT16300 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.176 COC1=CC(I)=C(N)C=N1 C10061 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.176 COC1=NC(C)=C(F)C=C1 C74931 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [0,2,0,0,0,0|0,1,0]=3 97 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [0,2,0,0,0,0|1,1,0]=4 98 B10R1.176 N#CC1=CC(S)=C(N)C=C1 AT19654 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.176 NC1=C(Br)C=NC(CO)=C1 P13384 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.176 NCC1=CC(Cl)=C(O)N=C1 79293 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.176 OCC1=CC(Br)=C(F)C=N1 D73852 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [0,2,0,0,0,0|0,0,0]=2 106 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [0,2,0,0,0,0|1,0,0]=3 107 B10R1.176 OCC1=CC=C(F)C(Br)=N1 54868 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.176 OCC1=NC(F)=C(Br)C=C1 AT22911 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.22 CC1=C(O)C=C(F)C=C1N AT15762 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.22 CC1=CC(Br)=C(C)C(O)=C1 AT21284 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.22 CC1=CC(Br)=CC(F)=C1F 97500 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.22 CC1=CC(Br)=CC(F)=C1O AT18860 [0,2,0,0,0,0|1,0,0]=3 113 B10R1.22 CC1=CC(F)=C(N)C(C)=C1 AT24271 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.22 CC1=CC(F)=CC(Br)=C1I D77116 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.22 CC1=CC(F)=CC(Br)=C1O AT20022 [0,2,0,0,0,0|1,0,0]=3 116 B10R1.22 NC1=C(Cl)C=C(Br)C=C1S AT20844 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.22 OC1=CC(Br)=C(I)C(Br)=C1 D76418 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.22 OC1=CC(Br)=CC(Cl)=C1Cl AT17667 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.22 [BH3-]C1=C(Cl)C=C(F)C=C1F AC9709 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [0,2,0,0,0,0|1,0,0]=3 122 B10R1.30 COC1=CC(O)=CN=C1Cl P11886 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [0,2,0,0,0,0|1,0,0]=3 126 B10R1.30 OC1=CC(CCl)=C(F)C=N1 W11443 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.118 BrC1=CC(Br)=C(I)C=C1I D72708 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.118 CC1=CC(Br)=C(Br)C=C1Cl D74819 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.118 CC1=CC(Br)=C(C)N=C1O AT17044 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.118 CC1=CC(Br)=C(I)C=C1N AT21945 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.118 CC1=CC(C)=C(O)C=C1O D76388 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.118 CC1=CC(I)=C(N)C=C1Cl D77240 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.118 CC1=CC(N)=C(S)C=C1C AT19660 [0,2,0,0,0,0|1,1,0]=4 134 B10R1.118 CN1C=C(Cl)C(O)=CC1=O AT19250 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.118 NC1=CC(F)=C(N)C=C1F D77147 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.119 CC1=C(Br)C=CC(N)=C1F C90849 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.119 CC1=C(C)C(Cl)=C(N)C=C1 AC6300 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.119 CC1=C(F)C=CC(F)=C1N AT24273 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.119 CC1=C(N)C(C)=C(O)C=C1 D76683 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.119 CC1=CC=C(F)C(Br)=C1N D96224 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.119 ClC1=CC=C(Br)C(Br)=C1Cl AC2656 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.119 NC1=C(F)C=CC(F)=C1N C77441 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.119 NC1=C(F)C=CC(I)=C1F D76745 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.119 NC1=CC=C(F)C(F)=C1I D77049 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.119 OC1=C(Br)C=CC(Cl)=C1Cl A51292 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.119 OC1=CC=C(Cl)C(Cl)=C1Br AT17647 [0,2,0,0,0,0|1,0,0]=3 147 B6R1.2 NC1=COC=C1 AC9528 [1,0,0,0,1,0|2,0,0]=4 148 B6R1.2 OC1=CC=CS1 AC4704 [1,0,0,0,1,0|1,0,0]=3