0 B8R1.2 BrCC1=CN=CN=C1 O11299 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 BrCC1=NC=CN=C1 31757 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 BrCC1=NC=NC=C1 Y10744 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.2 BrCC1=NN=CC=C1 27114 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 C#CC1=CN=CN=C1 25642 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.2 C#CC1=NC=CN=C1 P11646 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.2 CCC1=NC=NC=C1 F17281 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 CNC1=CN=CN=C1 Y10181 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 CNC1=CN=NC=C1 A10648 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 CNC1=NC=NC=C1 W10133 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 COC1=NC=NC=C1 T72699 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.2 ClCC1=NC=CN=C1 37060 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 ClCC1=NN=CC=C1 37063 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 N#CC1=CN=NC=C1 37055 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.2 N#CC1=NC=CC=C1 D77869 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.2 N#CC1=NN=CC=C1 82702 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.2 NCC1=CC=CN=N1 36976 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.2 NCC1=CC=CN=N1 P15536 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 NCC1=CC=NC=C1 35876 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.2 NCC1=CN=CN=C1 26963 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.2 NCC1=CN=NC=C1 27223 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.2 NCC1=CN=NC=C1 36975 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 NCC1=NC=CN=C1 67569 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.2 NNC1=CC=CN=C1 S12141 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.2 NNC1=CN=CN=C1 AT18412 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.2 OCC1=CN=NC=C1 37054 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.2 SCC1=CC=NC=C1 F18336 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.2 SCC1=CN=CC=C1 F18343 [0,0,0,0,0,0|1,0,0]=1 30 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.3 BrC1=CN=NC=C1 85151 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 BrC1=CN=NN=C1 74040 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 CC1=NC=CN=N1 C74235 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 ClC1=CN=CC=C1 P19758 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.3 ClC1=NN=CC=C1 57588 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.3 NC1=CC=CC=C1 T70935 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 NC1=CC=CC=C1 T71037 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 O=C1C=CNN=C1 D87946 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 SC1=NC=CN=C1 F16108 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.1 C#CC1=CN=C(Br)C=C1 68603 [0,1,0,0,0,0|0,0,2]=3 45 B9R1.1 C#CC1=CN=C(Cl)C=C1 83979 [0,1,0,0,0,0|0,0,2]=3 46 B9R1.1 C#CC1=CN=C(N)N=C1 P11652 [0,1,0,0,0,0|1,0,2]=4 47 B9R1.1 C#CC1=CN=C(O)C=C1 O11429 [0,1,0,0,0,0|0,0,2]=3 48 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [0,1,0,0,0,0|1,0,2]=4 49 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [0,1,0,0,0,0|0,0,2]=3 50 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.1 CC1=CN=C(CO)C=N1 26144 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.1 CC1=NC=C(C#N)C=N1 81926 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.1 CC1=NC=C(CBr)C=N1 C76568 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [0,1,0,0,0,0|1,0,0]=2 60 B9R1.1 CC1=NC=C(CCl)C=N1 P16099 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.1 CC1=NC=C(CN)C=N1 81411 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.1 CC1=NN=C(C#N)C=C1 37499 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,1,0,0,0,0|0,0,0]=1 66 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,1,0,0,0,0|0,0,0]=1 67 B9R1.1 CCC1=CN=C(N)C=N1 27455 [0,1,0,0,0,0|1,0,0]=2 68 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,1,0,0,0,0|0,0,0]=1 69 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.1 CCC1=NC=C(N)C=N1 81903 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [0,1,0,0,0,0|1,0,0]=2 78 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.1 CNC1=NN=C(Br)C=C1 C10836 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.1 COC1=CN=C(F)C=C1 98092 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.1 COC1=CN=C(N)N=C1 11206 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.1 COC1=NC=C(N)N=C1 24331 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.1 COC1=NN=C(I)C=C1 C15088 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.1 CSC1=CN=C(Cl)N=C1 W16220 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.1 ClCC1=CN=C(Cl)N=C1 BL010347 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.1 ClCC1=NN=C(Cl)C=C1 C72652 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.1 ClCC1=NN=C(Cl)C=C1 P10986 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.1 N#CC1=CN=C(Br)N=C1 77933 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.1 N#CC1=CN=C(O)N=C1 AC4723 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.1 N#CC1=NN=C(F)C=C1 38075 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.1 N#CC1=NN=C(N)C=C1 37344 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.1 NC1=NC=C(CCl)C=N1 AC2011 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.1 NCC1=CN=C(N)N=C1 82158 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.1 NCC1=NN=C(Cl)C=C1 C76852 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.1 NNC1=CN=C(Cl)C=C1 H10944 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.1 NNC1=CN=C(F)C=C1 73802 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.1 N\N=C1\C=CC(Br)=NN1 A10641 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.1 OCC1=CN=C(Cl)N=C1 BL010346 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.1 OCC1=NN=C(Cl)C=C1 P11311 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.2 C#CC1=CC(Br)=CN=C1 50294 [0,1,0,0,0,0|0,0,2]=3 129 B9R1.2 C#CC1=CC(Cl)=CN=C1 C77589 [0,1,0,0,0,0|0,0,2]=3 130 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [0,1,0,0,0,0|0,0,2]=3 131 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,1,0,0,0,0|1,0,2]=4 132 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [0,1,0,0,0,0|0,0,2]=3 133 B9R1.2 CC1=CC(C#N)=CN=C1 71242 [0,1,0,0,0,0|1,0,1]=3 134 B9R1.2 CC1=CC(C#N)=NN=C1 P12502 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,1,0,0,0,0|1,0,0]=2 143 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,0,0,0|1,0,2]=4 146 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,1,0,0,0,0|0,0,0]=1 149 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,1,0,0,0,0|1,0,0]=2 153 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.2 CNC1=NC(C)=CN=C1 74811 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.2 CNC1=NC=CC(N)=C1 27435 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.2 COC1=CC(Cl)=CN=N1 E70128 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.2 COC1=NC(N)=CN=C1 24364 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.2 N#CC1=CC(F)=CN=C1 82241 [0,1,0,0,0,0|1,0,1]=3 176 B9R1.2 N#CC1=CN=CC(Br)=N1 26949 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.2 N#CC1=NC(N)=CN=C1 24341 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.2 N#[N+]C1=CC=CC(Br)=C1 98381 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.2 NC1=CC(CO)=CN=C1 20770 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.2 NC1=CC=CC(CF)=C1 32172 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.2 NC1=NC=CC(CBr)=C1 W11110 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.2 NCC1=CC(F)=NC=C1 73765 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.2 NCC1=CC=CC(=O)N1 78897 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.2 NCC1=CC=C[N+]([O-])=C1 W12624 [0,1,0,0,0,0|1,0,1]=3 194 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [0,1,0,0,0,0|1,0,2]=4 203 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,1,0,0,0,0|2,0,1]=4 208 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,1,0,0,0,0|1,0,1]=3 209 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,1,0,0,0,0|1,0,0]=2 211 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,1,0,0,0,0|0,0,0]=1 212 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,1,0,0,0,0|0,0,0]=1 213 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,1,0,0,0,0|0,0,0]=1 214 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,1,0,0,0,0|0,0,0]=1 215 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,1,0,0,0,0|0,0,0]=1 216 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [0,1,0,0,0,0|1,0,0]=2 219 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [0,1,0,0,0,0|1,0,0]=2 220 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [0,1,0,0,0,0|1,0,0]=2 221 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,1,0,0,0,0|1,0,0]=2 226 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,1,0,0,0,0|1,0,0]=2 232 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [0,1,0,0,0,0|2,0,1]=4 235 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,1,0,0,0,0|2,0,1]=4 236 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [0,1,0,0,0,0|1,0,2]=4 238 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,1,0,0,0,0|0,0,0]=1 240 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.8 CNCC1=CN=NC=C1 P16258 [0,1,0,0,0,0|1,0,0]=2 242 B9R1.8 CNCC1=NC=CC=N1 W11490 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.8 N#CCC1=CN=NC=C1 37056 [0,1,0,0,0,0|1,0,1]=3 245 B9R1.8 N#CCC1=NC=CN=C1 50051 [0,1,0,0,0,0|1,0,1]=3 246 B9R1.8 NCCC1=NC=CC=N1 P15951 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.8 NCCC1=NC=CN=C1 AR1061 [0,1,0,0,0,0|1,0,0]=2 248 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.8 NNCC1=CC=CN=C1 78930 [0,1,0,0,0,0|1,0,0]=2 250 B9R1.8 NNCC1=CC=NC=C1 37009 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.8 NNCC1=CC=NC=C1 BL009189 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.8 NNCC1=CN=CN=C1 37093 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.8 NNCC1=NC=CC=C1 78929 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.8 NNCC1=NC=CN=C1 37235 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.8 NOCC1=CN=CC=C1 AC6038 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [0,1,0,0,0,0|2,0,1]=4 257 B9R1.8 OCCC1=CN=CN=C1 27368 [0,1,0,0,0,0|1,0,0]=2 258 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [0,1,0,0,0,0|2,0,1]=4 260 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [0,1,0,0,0,0|1,0,1]=3 261 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.15 C#CC1=C(N)C=CN=C1 C71943 [0,1,0,0,0,0|0,0,2]=3 263 B9R1.15 C#CC1=CC=CN=C1F C77200 [0,1,0,0,0,0|0,0,2]=3 264 B9R1.15 C#CC1=CC=CN=C1O CS1686 [0,1,0,0,0,0|0,0,2]=3 265 B9R1.15 C#CC1=NC=CN=C1C 79091 [0,1,0,0,0,0|1,0,2]=4 266 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [0,1,0,0,0,0|1,0,2]=4 267 B9R1.15 C=CC1=CC=CN=C1Br 83953 [0,1,0,0,0,0|0,0,2]=3 268 B9R1.15 C=CC1=CC=CN=C1C P11579 [0,1,0,0,0,0|0,0,2]=3 269 B9R1.15 CC1=C(C#N)C=CC=N1 AB2931 [0,1,0,0,0,0|1,0,1]=3 270 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [0,1,0,0,0,0|1,0,0]=2 271 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [0,1,0,0,0,0|1,0,0]=2 272 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [0,1,0,0,0,0|1,0,0]=2 273 B9R1.15 CC1=C(CCl)C=NC=N1 F31172 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.15 CC1=C(CO)C=NC=C1 38669 [0,1,0,0,0,0|1,0,0]=2 275 B9R1.15 CC1=CC=CN=C1CN C72913 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.15 CC1=NC=CC=C1CN 72802 [0,1,0,0,0,0|1,0,0]=2 277 B9R1.15 CC1=NC=CC=C1CN AB7634 [0,1,0,0,0,0|1,0,0]=2 278 B9R1.15 CC1=NC=CN=C1C=O 30985 [0,1,0,0,0,0|2,0,1]=4 279 B9R1.15 CC1=NC=CN=C1CCl P11784 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.15 CC1=NC=CN=C1CN E70300 [0,1,0,0,0,0|2,0,0]=3 281 B9R1.15 CC1=NC=CN=C1CN P19746 [0,1,0,0,0,0|2,0,0]=3 282 B9R1.15 CC1=NC=CN=C1CO P10784 [0,1,0,0,0,0|2,0,0]=3 283 B9R1.15 CC1=NC=CN=C1NN BL010270 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [0,1,0,0,0,0|2,0,0]=3 285 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,1,0,0,0,0|0,0,0]=1 286 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,1,0,0,0,0|1,0,0]=2 287 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,1,0,0,0,0|2,0,0]=3 288 B9R1.15 CCC1=CC=CN=C1Br D80252 [0,1,0,0,0,0|0,0,0]=1 289 B9R1.15 CCC1=CC=CN=C1N 55791 [0,1,0,0,0,0|0,0,0]=1 290 B9R1.15 CCC1=CC=NN=C1Cl S11385 [0,1,0,0,0,0|1,0,0]=2 291 B9R1.15 CCC1=CC=NNC1=O S11452 [0,1,0,0,0,0|1,0,1]=3 292 B9R1.15 CCC1=NC=CN=C1N RB3385 [0,1,0,0,0,0|1,0,0]=2 293 B9R1.15 CCC1=NC=CNC1=O S12194 [0,1,0,0,0,0|1,0,1]=3 294 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [0,1,0,0,0,0|1,0,0]=2 295 B9R1.15 CNC1=C(I)C=NC=C1 D83398 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [0,1,0,0,0,0|1,0,0]=2 297 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.15 CNC1=CC=CN=C1N 94808 [0,1,0,0,0,0|1,0,0]=2 299 B9R1.15 CNC1=NC=CC=C1N 72351 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.15 CNC1=NC=CN=C1N 25161 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.15 COC1=C(Br)C=CN=C1 26564 [0,1,0,0,0,0|1,0,0]=2 302 B9R1.15 COC1=C(I)C=CN=C1 D82954 [0,1,0,0,0,0|1,0,0]=2 303 B9R1.15 COC1=C(N)C=CN=C1 35474 [0,1,0,0,0,0|1,0,0]=2 304 B9R1.15 COC1=C(O)C=NC=C1 79066 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.15 COC1=CNC=NC1=O H10327 [0,1,0,0,0,0|2,0,0]=3 306 B9R1.15 COC1=NC=CC=C1C C73664 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.15 COC1=NC=CN=C1Br 27717 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [0,1,0,0,0,0|1,0,0]=2 309 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [0,1,0,0,0,0|1,0,0]=2 310 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.15 ClCC1=C(Br)C=NC=C1 32531 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [0,1,0,0,0,0|1,0,0]=2 315 B9R1.15 FC1=C(CCl)C=CN=C1 72889 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.15 FC1=CC=CN=C1CBr 38126 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.15 FC1=CC=CN=C1CCl AC1446 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.15 N#CC1=C(Br)C=CN=C1 55794 [0,1,0,0,0,0|1,0,1]=3 319 B9R1.15 N#CC1=C(N)N=NC=C1 32449 [0,1,0,0,0,0|2,0,1]=4 320 B9R1.15 N#CC1=CNC=CC1=O 88910 [0,1,0,0,0,0|1,0,2]=4 321 B9R1.15 NC1=C(C=O)C=NC=N1 66183 [0,1,0,0,0,0|2,0,1]=4 322 B9R1.15 NC1=C(CO)C=CN=C1 F13531 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.15 NC1=C(CO)C=NC=C1 28348 [0,1,0,0,0,0|1,0,0]=2 324 B9R1.15 NC1=CC=CN=C1CO H10562 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.15 NC1=NC=CN=C1C=O 27460 [0,1,0,0,0,0|2,0,1]=4 326 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [0,1,0,0,0,0|1,0,0]=2 329 B9R1.15 NCC1=C(Br)C=NC=C1 O10077 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [0,1,0,0,0,0|1,0,0]=2 332 B9R1.15 NCC1=C(Cl)C=NC=C1 D79765 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.15 NCC1=C(Cl)C=NC=C1 F50132 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.15 NCC1=C(F)C=CC=N1 37501 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.15 NCC1=C(F)C=CC=N1 71993 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.15 NCC1=C(F)C=NC=C1 26837 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.15 NCC1=C(F)C=NC=C1 78901 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [0,1,0,0,0,0|2,0,0]=3 340 B9R1.15 NCC1=CC=CN=C1Br D82416 [0,1,0,0,0,0|1,0,0]=2 341 B9R1.15 NCC1=CC=CN=C1Cl 51113 [0,1,0,0,0,0|1,0,0]=2 342 B9R1.15 NCC1=CC=CN=C1N 89358 [0,1,0,0,0,0|1,0,0]=2 343 B9R1.15 NCC1=CC=CN=C1O 55767 [0,1,0,0,0,0|1,0,0]=2 344 B9R1.15 NCC1=NC=CC=C1N AC4283 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.15 NCC1=NC=CN=C1N AB3037 [0,1,0,0,0,0|2,0,0]=3 346 B9R1.15 NCC1=NN=CNC1=O 89484 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.15 O=C1NC=CC=C1CO P16012 [0,1,0,0,0,0|1,0,1]=3 349 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [0,1,0,0,0,0|1,0,1]=3 350 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [0,1,0,0,0,0|2,0,1]=4 351 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [0,1,0,0,0,0|1,0,1]=3 352 B9R1.15 O=CC1=NC=CN=C1Br P14054 [0,1,0,0,0,0|2,0,1]=4 353 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [0,1,0,0,0,0|2,0,1]=4 354 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [0,1,0,0,0,0|1,0,0]=2 355 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [0,1,0,0,0,0|1,0,0]=2 356 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.15 OCC1=NC=CN=C1Cl 80497 [0,1,0,0,0,0|2,0,0]=3 358 B7R1.1 BrCC1=CC=NO1 33595 [0,0,0,0,1,0|2,0,0]=3 359 B7R1.1 BrCC1=CN=CO1 92893 [0,0,0,0,1,0|2,0,0]=3 360 B7R1.1 BrCC1=COC=N1 70925 [0,0,0,0,1,0|2,0,0]=3 361 B7R1.1 BrCC1=CON=C1 95088 [0,0,0,0,1,0|2,0,0]=3 362 B7R1.1 BrCC1=CSC=N1 73558 [0,0,0,0,1,0|2,0,0]=3 363 B7R1.1 BrCC1=NC=CO1 92941 [0,0,0,0,1,0|2,0,0]=3 364 B7R1.1 BrCC1=NC=CS1 73557 [0,0,0,0,1,0|2,0,0]=3 365 B7R1.1 BrCC1=NOC=C1 71749 [0,0,0,0,1,0|2,0,0]=3 366 B7R1.1 C#CC1=CNN=C1 P12226 [0,0,0,0,1,0|1,0,2]=4 367 B7R1.1 C=CC1=CC=CS1 C10114 [0,0,0,0,1,0|1,0,2]=4 368 B7R1.1 C=CC1=CN=CN1 D82417 [0,0,0,0,1,0|1,0,2]=4 369 B7R1.1 C=CC1=NNC=C1 P13173 [0,0,0,0,1,0|1,0,2]=4 370 B7R1.1 CCC1=CNN=C1 72604 [0,0,0,0,1,0|1,0,0]=2 371 B7R1.1 CCC1=NN=CO1 C10407 [0,0,0,0,1,0|2,0,0]=3 372 B7R1.1 CCN1C=NC=N1 29522 [0,0,0,0,1,0|2,0,0]=3 373 B7R1.1 CNC1=NC=CO1 71780 [0,0,0,0,1,0|2,0,0]=3 374 B7R1.1 CNC1=NC=CS1 26158 [0,0,0,0,1,0|2,0,0]=3 375 B7R1.1 CNC1=NNC=C1 72540 [0,0,0,0,1,0|2,0,0]=3 376 B7R1.1 CNC1=NOC=C1 72015 [0,0,0,0,1,0|2,0,0]=3 377 B7R1.1 CNC1=NOC=C1 72539 [0,0,0,0,1,0|2,0,0]=3 378 B7R1.1 COC1=CNN=C1 79311 [0,0,0,0,1,0|2,0,0]=3 379 B7R1.1 COC1=NNC=C1 D79536 [0,0,0,0,1,0|2,0,0]=3 380 B7R1.1 CSC1=CN=CN1 W17049 [0,0,0,0,1,0|2,0,0]=3 381 B7R1.1 CSC1=CNN=C1 W10958 [0,0,0,0,1,0|2,0,0]=3 382 B7R1.1 CSC1=NC=CN1 AC1458 [0,0,0,0,1,0|2,0,0]=3 383 B7R1.1 CSC1=NC=CO1 O10533 [0,0,0,0,1,0|2,0,0]=3 384 B7R1.1 ClCC1=CC=CS1 79790 [0,0,0,0,1,0|2,0,0]=3 385 B7R1.1 ClCC1=CC=NO1 33348 [0,0,0,0,1,0|2,0,0]=3 386 B7R1.1 ClCC1=CN=CO1 RB3366 [0,0,0,0,1,0|2,0,0]=3 387 B7R1.1 ClCC1=COC=N1 D97597 [0,0,0,0,1,0|2,0,0]=3 388 B7R1.1 ClCC1=NC=CS1 BL005472 [0,0,0,0,1,0|2,0,0]=3 389 B7R1.1 ClCC1=NOC=C1 F13567 [0,0,0,0,1,0|2,0,0]=3 390 B7R1.1 N#CC1=CC=NO1 F30844 [0,0,0,0,1,0|2,0,1]=4 391 B7R1.1 N#CC1=COC=N1 28409 [0,0,0,0,1,0|2,0,1]=4 392 B7R1.1 N#CC1=CON=C1 S11668 [0,0,0,0,1,0|2,0,1]=4 393 B7R1.1 N#CC1=CSN=C1 83210 [0,0,0,0,1,0|2,0,1]=4 394 B7R1.1 N#CC1=NC=CO1 57346 [0,0,0,0,1,0|2,0,1]=4 395 B7R1.1 NCC1=CC=CN1 25931 [0,0,0,0,1,0|1,0,1]=3 396 B7R1.1 NCC1=CC=NO1 33343 [0,0,0,0,1,0|2,0,0]=3 397 B7R1.1 NCC1=CC=NO1 33364 [0,0,0,0,1,0|2,0,0]=3 398 B7R1.1 NCC1=CN=CS1 24148 [0,0,0,0,1,0|2,0,0]=3 399 B7R1.1 NCC1=CNC=C1 F12967 [0,0,0,0,1,0|1,0,1]=3 400 B7R1.1 NCC1=CNC=N1 26566 [0,0,0,0,1,0|2,0,0]=3 401 B7R1.1 NCC1=CNN=C1 37585 [0,0,0,0,1,0|2,0,0]=3 402 B7R1.1 NCC1=CNN=C1 37586 [0,0,0,0,1,0|2,0,0]=3 403 B7R1.1 NCC1=CNN=N1 20253 [0,0,0,0,1,0|3,0,0]=4 404 B7R1.1 NCC1=CNN=N1 D77245 [0,0,0,0,1,0|3,0,0]=4 405 B7R1.1 NCC1=COC=N1 25090 [0,0,0,0,1,0|2,0,0]=3 406 B7R1.1 NCC1=CON=C1 55763 [0,0,0,0,1,0|2,0,0]=3 407 B7R1.1 NCC1=CSC=N1 24147 [0,0,0,0,1,0|2,0,0]=3 408 B7R1.1 NCC1=CSC=N1 Y14444 [0,0,0,0,1,0|2,0,0]=3 409 B7R1.1 NCC1=NC=CN1 C72548 [0,0,0,0,1,0|2,0,0]=3 410 B7R1.1 NCC1=NN=CO1 S11004 [0,0,0,0,1,0|3,0,0]=4 411 B7R1.1 NCC1=NNC=C1 36190 [0,0,0,0,1,0|2,0,0]=3 412 B7R1.1 NCC1=NNC=N1 AC1019 [0,0,0,0,1,0|3,0,0]=4 413 B7R1.1 NCC1=NOC=C1 W10075 [0,0,0,0,1,0|2,0,0]=3 414 B7R1.1 NCC1=NOC=N1 72520 [0,0,0,0,1,0|3,0,0]=4 415 B7R1.1 NNC1=NC=CS1 C74550 [0,0,0,0,1,0|3,0,0]=4 416 B7R1.1 O=CC1=CC=C[Se]1 T72165 [0,0,0,0,1,0|2,0,1]=4 417 B7R1.1 O=CC1=CC=NS1 62852 [0,0,0,0,1,0|2,0,1]=4 418 B7R1.1 O=CC1=CCC=C1 77835 [0,0,0,0,1,0|1,0,2]=4 419 B7R1.1 O=CC1=CN=CO1 39069 [0,0,0,0,1,0|2,0,1]=4 420 B7R1.1 O=CC1=CON=C1 95893 [0,0,0,0,1,0|2,0,1]=4 421 B7R1.1 O=CC1=NOC=C1 P10400 [0,0,0,0,1,0|2,0,1]=4 422 B7R1.1 OCC1=CC=NO1 33580 [0,0,0,0,1,0|2,0,0]=3 423 B7R1.1 OCC1=CC=NS1 53001 [0,0,0,0,1,0|2,0,0]=3 424 B7R1.1 OCC1=CON=C1 73633 [0,0,0,0,1,0|2,0,0]=3 425 B7R1.1 OCC1=CSN=C1 83209 [0,0,0,0,1,0|2,0,0]=3 426 B7R1.1 OCC1=NNC=N1 83468 [0,0,0,0,1,0|3,0,0]=4 427 B7R1.1 OCC1=NNC=N1 F53081 [0,0,0,0,1,0|3,0,0]=4 428 B7R1.1 OCN1C=CN=C1 F11598 [0,0,0,0,1,0|2,0,0]=3 429 B6R1.1 C1=CC=CC=C1 78158 [2,0,0,0,0,0|1,0,0]=3 430 B6R1.1 C1=CC=NC=C1 T72767 [2,0,0,0,0,0|0,0,0]=2 431 B6R1.1 C1=CN=NC=C1 C75894 [2,0,0,0,0,0|1,0,0]=3 432 B8R1.3 BrC1=NC=C(I)C=N1 55463 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.3 CC1=CC=C(C)N=N1 S11370 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.3 CC1=CN=C(Br)C=N1 88781 [1,1,0,0,0,0|1,0,0]=3 435 B8R1.3 CC1=CN=C(F)N=C1 F11686 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.3 CC1=CN=C(I)C=N1 W17940 [1,1,0,0,0,0|1,0,0]=3 437 B8R1.3 CC1=CN=C(N)C=N1 52044 [1,1,0,0,0,0|1,0,0]=3 438 B8R1.3 CC1=CN=C(N)N=C1 51196 [1,1,0,0,0,0|1,0,0]=3 439 B8R1.3 CC1=CN=C(O)C=N1 84954 [1,1,0,0,0,0|1,0,0]=3 440 B8R1.3 CC1=NC=C(F)C=N1 O11437 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.3 CC1=NC=C(I)C=C1 C10582 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.3 CC1=NC=C(O)C=N1 25911 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.3 FC1=CN=C(Br)C=N1 Y10496 [1,1,0,0,0,0|2,0,0]=4 444 B8R1.3 FC1=NC=C(I)C=N1 O10782 [1,1,0,0,0,0|2,0,0]=4 445 B8R1.3 FC1=NN=C(Br)C=C1 C72413 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.3 IC1=CN=C(I)C=N1 I11480 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.3 NC1=CC=C(O)C=C1 C75965 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.3 NC1=CN=C(Br)N=C1 26764 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.3 NC1=CN=C(I)N=C1 P19402 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.3 NC1=CN=C(N)C=N1 C14950 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.3 NC1=CN=C(N)C=N1 F20076 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [1,1,0,0,0,0|1,0,0]=3 453 B8R1.3 NC1=NC=C(O)C=N1 24754 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.3 NC1=NN=C(F)C=C1 C71319 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.3 NC1=NNC(=O)C=C1 A11691 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.3 OC1=NC=C(F)C=N1 61070 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.3 SC1=CC=C(I)C=C1 F20637 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.4 BrC1=CC(Br)=NN=C1 26403 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.4 CC1=CC(=S)NC=C1 I11274 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.4 CC1=CC=CC(I)=N1 S10876 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.4 CC1=CN=NC(=O)C1 78530 [1,1,0,0,0,0|1,0,1]=4 462 B8R1.4 CC1=NC=CC(I)=C1 25628 [1,1,0,0,0,0|2,0,0]=4 463 B8R1.4 ClC1=CC(Br)=CN=N1 P15413 [1,1,0,0,0,0|2,0,0]=4 464 B8R1.4 ClC1=CC(I)=CN=C1 C76473 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.4 ClC1=CN=CC(I)=N1 N11783 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.4 FC1=CN=CC(Br)=N1 D82262 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.4 IC1=CN=CC(I)=C1 83196 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.4 NC1=CC(Cl)=NN=C1 26681 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.4 NC1=CC(O)=CN=C1 24928 [1,1,0,0,0,0|1,0,0]=3 470 B8R1.4 NC1=CC(O)=CN=C1 26279 [1,1,0,0,0,0|1,0,0]=3 471 B8R1.4 NC1=CN=CC(N)=C1 26714 [1,1,0,0,0,0|1,0,0]=3 472 B8R1.4 NC1=CN=CC(N)=N1 30602 [1,1,0,0,0,0|2,0,0]=4 473 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.4 SC1=CC(Br)=CN=C1 AT25650 [1,1,0,0,0,0|1,0,0]=3 475 B8R1.5 BrC1=C(I)C=NC=C1 C76998 [1,1,0,0,0,0|1,0,0]=3 476 B8R1.5 CC1=C(Cl)C=NC=N1 F17326 [1,1,0,0,0,0|2,0,0]=4 477 B8R1.5 CC1=C(F)C=CN=C1 F19730 [1,1,0,0,0,0|0,0,0]=2 478 B8R1.5 CC1=C(I)C=CC=N1 F19761 [1,1,0,0,0,0|1,0,0]=3 479 B8R1.5 CC1=C(I)C=NC=C1 C74973 [1,1,0,0,0,0|1,0,0]=3 480 B8R1.5 CC1=C(I)C=NC=N1 27820 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.5 CC1=CC=NN=C1Br N13316 [1,1,0,0,0,0|1,0,0]=3 482 B8R1.5 CC1=CC=NN=C1Cl 38744 [1,1,0,0,0,0|1,0,0]=3 483 B8R1.5 CC1=CN=CN=C1Br 27819 [1,1,0,0,0,0|1,0,0]=3 484 B8R1.5 CC1=CN=CN=C1O 25833 [1,1,0,0,0,0|1,0,0]=3 485 B8R1.5 CC1=NC=CN=C1Br 26975 [1,1,0,0,0,0|1,0,0]=3 486 B8R1.5 CC1=NC=NC=C1N 25415 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.5 CC1=NNC=NC1=O D79535 [1,1,0,0,0,0|2,0,0]=4 488 B8R1.5 ClC1=CC=CN=C1I 68801 [1,1,0,0,0,0|1,0,0]=3 489 B8R1.5 ClC1=CC=NN=C1Cl 27407 [1,1,0,0,0,0|2,0,0]=4 490 B8R1.5 ClC1=CN=CN=C1Cl 25142 [1,1,0,0,0,0|2,0,0]=4 491 B8R1.5 ClC1=NC=CN=C1Br C71707 [1,1,0,0,0,0|2,0,0]=4 492 B8R1.5 ClC1=NC=CN=C1I AC1564 [1,1,0,0,0,0|2,0,0]=4 493 B8R1.5 FC1=CN=CN=C1Br 77431 [1,1,0,0,0,0|2,0,0]=4 494 B8R1.5 FC1=NC=CN=C1Br W17938 [1,1,0,0,0,0|2,0,0]=4 495 B8R1.5 NC1=C(Br)C=NN=C1 FD10591 [1,1,0,0,0,0|2,0,0]=4 496 B8R1.5 NC1=C(Cl)C=NC=N1 26794 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.5 NC1=C(Cl)C=NN=C1 P11076 [1,1,0,0,0,0|2,0,0]=4 498 B8R1.5 NC1=C(O)C=CN=N1 D83804 [1,1,0,0,0,0|2,0,0]=4 499 B8R1.5 NC1=C(S)C=CN=C1 AT18151 [1,1,0,0,0,0|1,0,0]=3 500 B8R1.5 NC1=CC=CN=C1I RB1070 [1,1,0,0,0,0|1,0,0]=3 501 B8R1.5 NC1=CC=NN=C1Cl 27714 [1,1,0,0,0,0|2,0,0]=4 502 B8R1.5 NC1=CN=CN=C1I C10176 [1,1,0,0,0,0|2,0,0]=4 503 B8R1.5 NC1=CN=CN=C1N 65496 [1,1,0,0,0,0|2,0,0]=4 504 B8R1.5 NC1=CN=NC=C1N F10831 [1,1,0,0,0,0|2,0,0]=4 505 B8R1.5 NC1=NC=CN=C1Br 27472 [1,1,0,0,0,0|2,0,0]=4 506 B8R1.5 NC1=NC=CN=C1I 27241 [1,1,0,0,0,0|2,0,0]=4 507 B8R1.5 O=C1NC=NC=C1O 25860 [1,1,0,0,0,0|2,0,0]=4 508 B8R1.5 O=C1NC=NC=C1O C73082 [1,1,0,0,0,0|2,0,0]=4 509 B8R1.5 OC1=C(Cl)C=NN=C1 F10592 [1,1,0,0,0,0|2,0,0]=4 510 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [1,1,0,0,0,0|1,0,0]=3 511 B8R1.5 OC1=C(I)C=CN=C1 25190 [1,1,0,0,0,0|1,0,0]=3 512 B8R1.5 OC1=C(I)C=NC=N1 25919 [1,1,0,0,0,0|2,0,0]=4 513 B8R1.5 OC1=C(O)C=NC=C1 C14003 [1,1,0,0,0,0|1,0,0]=3 514 B8R1.5 OC1=NC=CN=C1Br A11981 [1,1,0,0,0,0|2,0,0]=4 515 B8R1.5 OC1=NC=CN=C1O C74124 [1,1,0,0,0,0|2,0,0]=4 516 B8R1.5 SC1=C(Br)C=NC=C1 C12894 [1,1,0,0,0,0|1,0,0]=3 517 B8R1.1 BrCC1=CN=C(Br)S1 24688 [0,1,0,0,1,0|2,0,0]=4 518 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,1,0,0,1,0|2,0,0]=4 519 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,1,0,0,1,0|2,0,0]=4 520 B8R1.1 CC1=CC=C(CN)S1 71266 [0,1,0,0,1,0|2,0,0]=4 521 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,1,0,0,1,0|2,0,0]=4 522 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,1,0,0,1,0|2,0,0]=4 523 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,1,0,0,1,0|2,0,0]=4 524 B8R1.1 CC1=CSC(CCl)=N1 W16105 [0,1,0,0,1,0|2,0,0]=4 525 B8R1.1 CC1=CSC(CO)=N1 78422 [0,1,0,0,1,0|2,0,0]=4 526 B8R1.1 CC1=NC(CBr)=CS1 C76311 [0,1,0,0,1,0|2,0,0]=4 527 B8R1.1 CC1=NC(CO)=CN1 22905 [0,1,0,0,1,0|2,0,0]=4 528 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,1,0,0,1,0|2,0,0]=4 529 B8R1.1 CC1=NC=C(CN)S1 72160 [0,1,0,0,1,0|2,0,0]=4 530 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,1,0,0,1,0|2,0,0]=4 531 B8R1.1 CC1=NNC(CO)=C1 71135 [0,1,0,0,1,0|2,0,0]=4 532 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,1,0,0,1,0|2,0,0]=4 533 B8R1.1 CC1=NOC(CN)=C1 20228 [0,1,0,0,1,0|2,0,0]=4 534 B8R1.1 CCC1=CC(N)=NO1 71263 [0,1,0,0,1,0|1,0,0]=3 535 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,1,0,0,1,0|1,0,0]=3 536 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,1,0,0,1,0|1,0,0]=3 537 B8R1.1 CCC1=CN=C(N)S1 84403 [0,1,0,0,1,0|1,0,0]=3 538 B8R1.1 CCN1C=C(O)C=N1 AT11883 [0,1,0,0,1,0|1,0,0]=3 539 B8R1.1 CN1C=C(CCl)C=N1 71934 [0,1,0,0,1,0|2,0,0]=4 540 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,1,0,0,1,0|2,0,0]=4 541 B8R1.1 CN1C=NC(CN)=C1 38318 [0,1,0,0,1,0|2,0,0]=4 542 B8R1.1 CN1C=NC(CN)=C1 82874 [0,1,0,0,1,0|2,0,0]=4 543 B8R1.1 CNC1=CN(C)N=C1 S10801 [0,1,0,0,1,0|2,0,0]=4 544 B8R1.1 CNC1=CN(C)N=C1 W19310 [0,1,0,0,1,0|2,0,0]=4 545 B8R1.1 CNC1=NC(Br)=CS1 A11743 [0,1,0,0,1,0|2,0,0]=4 546 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,1,0,0,1,0|2,0,0]=4 547 B8R1.1 COC1=NC=C(Br)S1 78090 [0,1,0,0,1,0|2,0,0]=4 548 B8R1.1 COC1=NOC(N)=C1 D82563 [0,1,0,0,1,0|2,0,0]=4 549 B8R1.1 CSC1=CN=C(N)S1 C77378 [0,1,0,0,1,0|2,0,0]=4 550 B8R1.1 CSC1=NNC(N)=C1 75644 [0,1,0,0,1,0|2,0,0]=4 551 B8R1.1 NC1=NNC(CO)=C1 P10905 [0,1,0,0,1,0|2,0,0]=4 552 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [0,1,0,0,1,0|2,0,0]=4 553 B8R1.1 NCC1=CC=C(Br)S1 P15264 [0,1,0,0,1,0|2,0,0]=4 554 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [0,1,0,0,1,0|2,0,0]=4 555 B8R1.1 NCC1=CN=C(Br)S1 C13963 [0,1,0,0,1,0|2,0,0]=4 556 B8R1.1 NCC1=CN=C(Br)S1 S11077 [0,1,0,0,1,0|2,0,0]=4 557 B8R1.1 NCC1=CSC(Br)=C1 P11133 [0,1,0,0,1,0|2,0,0]=4 558 B8R1.1 NCC1=NC(Br)=CS1 22984 [0,1,0,0,1,0|2,0,0]=4 559 B8R1.1 NCC1=NC(Br)=CS1 68978 [0,1,0,0,1,0|2,0,0]=4 560 B8R1.1 NCC1=NC=C(Br)S1 37716 [0,1,0,0,1,0|2,0,0]=4 561 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,1,0,0,1,0|2,0,0]=4 562 B8R1.1 OCC1=CSC(Cl)=C1 37630 [0,1,0,0,1,0|2,0,0]=4 563 B8R1.1 OCC1=NC=C(Br)S1 37717 [0,1,0,0,1,0|2,0,0]=4 564 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [0,1,0,0,1,0|2,0,0]=4 565 B8R1.1 OCC1=NNC(Br)=C1 P17372 [0,1,0,0,1,0|2,0,0]=4 566 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,1,0,0,1,0|1,0,1]=4 567 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,1,0,0,1,0|1,0,1]=4 568 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,1,0,0,1,0|1,0,1]=4 569 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,1,0,0,1,0|1,0,1]=4 570 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,1,0,0,1,0|1,0,1]=4 571 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,1,0,0,1,0|1,0,1]=4 572 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,1,0,0,1,0|1,0,1]=4 573 B8R1.7 CC(C)C1=CC=CO1 81450 [0,1,0,0,1,0|1,0,0]=3 574 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,1,0,0,1,0|1,0,0]=3 575 B8R1.7 CC(C)C1=CNN=C1 D78878 [0,1,0,0,1,0|1,0,0]=3 576 B8R1.7 CN(C)C1=NC=CS1 N10099 [0,1,0,0,1,0|2,0,0]=4 577 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,1,0,0,1,0|1,0,0]=3 578 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,1,0,0,1,0|1,0,0]=3 579 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,1,0,0,1,0|1,0,0]=3 580 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,1,0,0,1,0|1,0,0]=3 581 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,1,0,0,1,0|1,0,0]=3 582 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,1,0,0,1,0|1,0,0]=3 583 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,1,0,0,1,0|1,0,0]=3 584 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,1,0,0,1,0|1,0,0]=3 585 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,1,0,0,1,0|1,0,0]=3 586 B8R1.7 C[C@H](N)C1=CNN=C1 98132 [0,1,0,0,1,0|1,0,0]=3 587 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,1,0,0,1,0|1,0,0]=3 588 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,1,0,0,1,0|1,0,0]=3 589 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,1,0,0,1,0|1,0,0]=3 590 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,1,0,0,1,0|1,0,0]=3 591 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,1,0,0,1,0|1,0,0]=3 592 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,1,0,0,1,0|1,0,0]=3 593 B8R1.7 C[C@H](N)C1=NN=CO1 D79352 [0,1,0,0,1,0|2,0,0]=4 594 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,1,0,0,1,0|1,0,0]=3 595 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,1,0,0,1,0|1,0,0]=3 596 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,1,0,0,1,0|1,0,0]=3 597 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [0,1,0,0,1,0|1,0,0]=3 598 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,1,0,0,1,0|1,0,0]=3 599 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,1,0,0,1,0|1,0,0]=3 600 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,1,0,0,1,0|1,0,0]=3 601 B8R1.7 FC(F)C1=NNC=C1 AT15834 [0,1,0,0,1,0|2,0,0]=4 602 B8R1.8 BrCCC1=CSC=C1 F20032 [0,1,0,0,1,0|1,0,0]=3 603 B8R1.8 BrCCN1C=CC=N1 71462 [0,1,0,0,1,0|1,0,0]=3 604 B8R1.8 BrCCN1N=CC=N1 C72075 [0,1,0,0,1,0|2,0,0]=4 605 B8R1.8 CCCC1=NNC=C1 C16284 [0,1,0,0,1,0|1,0,0]=3 606 B8R1.8 CCOC1=NNC=C1 AT14799 [0,1,0,0,1,0|1,0,0]=3 607 B8R1.8 CNCC1=CC=NO1 27030 [0,1,0,0,1,0|1,0,0]=3 608 B8R1.8 CNCC1=CNC=N1 AT15460 [0,1,0,0,1,0|1,0,0]=3 609 B8R1.8 CNCC1=COC=C1 AC5678 [0,1,0,0,1,0|1,0,0]=3 610 B8R1.8 CNCC1=NNC=C1 33350 [0,1,0,0,1,0|1,0,0]=3 611 B8R1.8 COCC1=CN=CN1 AC8003 [0,1,0,0,1,0|1,0,0]=3 612 B8R1.8 COCC1=CNN=C1 P18875 [0,1,0,0,1,0|1,0,0]=3 613 B8R1.8 ClCCC1=CNN=C1 D95803 [0,1,0,0,1,0|1,0,0]=3 614 B8R1.8 ClCCN1C=CN=C1 70870 [0,1,0,0,1,0|1,0,0]=3 615 B8R1.8 ClCCN1C=NC=N1 29832 [0,1,0,0,1,0|2,0,0]=4 616 B8R1.8 N#CCC1=NC=CS1 38066 [0,1,0,0,1,0|1,0,1]=4 617 B8R1.8 N#CCC1=NNC=C1 29852 [0,1,0,0,1,0|1,0,1]=4 618 B8R1.8 NCCC1=CC=CN1 31556 [0,1,0,0,1,0|0,0,1]=3 619 B8R1.8 NCCC1=CC=CN1 F10331 [0,1,0,0,1,0|0,0,1]=3 620 B8R1.8 NCCC1=CSC=C1 P10092 [0,1,0,0,1,0|1,0,0]=3 621 B8R1.8 NCCC1=NC=CN1 F18351 [0,1,0,0,1,0|1,0,0]=3 622 B8R1.8 NCCC1=NC=CS1 70863 [0,1,0,0,1,0|1,0,0]=3 623 B8R1.8 NCCC1=NN=CS1 38315 [0,1,0,0,1,0|2,0,0]=4 624 B8R1.8 NCCC1=NNC=C1 AC1362 [0,1,0,0,1,0|1,0,0]=3 625 B8R1.8 NCCN1C=CC=N1 28356 [0,1,0,0,1,0|1,0,0]=3 626 B8R1.8 NCCN1C=CN=C1 30762 [0,1,0,0,1,0|1,0,0]=3 627 B8R1.8 NCCN1C=CN=N1 W15879 [0,1,0,0,1,0|2,0,0]=4 628 B8R1.8 NCCN1C=CN=N1 W19436 [0,1,0,0,1,0|2,0,0]=4 629 B8R1.8 NCCN1C=NC=N1 28092 [0,1,0,0,1,0|2,0,0]=4 630 B8R1.8 NCCN1C=NN=C1 AC1420 [0,1,0,0,1,0|2,0,0]=4 631 B8R1.8 NCCN1N=CC=N1 W16247 [0,1,0,0,1,0|2,0,0]=4 632 B8R1.8 OCCC1=CC=CN1 AB10351 [0,1,0,0,1,0|0,0,1]=3 633 B8R1.8 OCCC1=CC=CO1 W10532 [0,1,0,0,1,0|1,0,0]=3 634 B8R1.8 OCCC1=COC=C1 D93026 [0,1,0,0,1,0|1,0,0]=3 635 B8R1.8 OCCC1=NNC=C1 22974 [0,1,0,0,1,0|1,0,0]=3 636 B8R1.8 OCCN1C=NC=N1 F19895 [0,1,0,0,1,0|2,0,0]=4 637 B8R1.8 OCCN1C=NN=C1 AC6566 [0,1,0,0,1,0|2,0,0]=4 638 B8R1.11 CC1=C(CCl)N=CO1 AC3323 [0,1,0,0,1,0|2,0,0]=4 639 B8R1.11 CC1=C(CO)C=CO1 30727 [0,1,0,0,1,0|2,0,0]=4 640 B8R1.11 CC1=C(CO)C=NO1 72237 [0,1,0,0,1,0|2,0,0]=4 641 B8R1.11 CC1=C(CO)N=CO1 AT18595 [0,1,0,0,1,0|2,0,0]=4 642 B8R1.11 CC1=C(CO)NN=C1 F52703 [0,1,0,0,1,0|2,0,0]=4 643 B8R1.11 CC1=CNN=C1CN P17767 [0,1,0,0,1,0|2,0,0]=4 644 B8R1.11 CC1=CON=C1CN AT25740 [0,1,0,0,1,0|2,0,0]=4 645 B8R1.11 CC1=CSC=C1CO 57803 [0,1,0,0,1,0|2,0,0]=4 646 B8R1.11 CC1=NOC=C1CN 72854 [0,1,0,0,1,0|2,0,0]=4 647 B8R1.11 CC1=NOC=C1CN N10525 [0,1,0,0,1,0|2,0,0]=4 648 B8R1.11 CCC1=C(C)N=CS1 60935 [0,1,0,0,1,0|1,0,0]=3 649 B8R1.11 CCC1=CNN=C1C AC8755 [0,1,0,0,1,0|1,0,0]=3 650 B8R1.11 CCC1=NNC=C1Br 98406 [0,1,0,0,1,0|1,0,0]=3 651 B8R1.11 CCN1C=CN=C1Br AT15593 [0,1,0,0,1,0|1,0,0]=3 652 B8R1.11 CN1C=CC=C1CN 88916 [0,1,0,0,1,0|1,0,1]=4 653 B8R1.11 CN1C=CC=C1CO D82110 [0,1,0,0,1,0|1,0,1]=4 654 B8R1.11 CN1C=NC=C1CN Y14872 [0,1,0,0,1,0|2,0,0]=4 655 B8R1.11 CN1N=CC=C1CCl 31784 [0,1,0,0,1,0|2,0,0]=4 656 B8R1.11 CN1N=CC=C1CN AC1023 [0,1,0,0,1,0|2,0,0]=4 657 B8R1.11 COC1=NNC=C1I F16206 [0,1,0,0,1,0|2,0,0]=4 658 B8R1.11 ClC1=C(CBr)C=CS1 24714 [0,1,0,0,1,0|2,0,0]=4 659 B8R1.11 NC1=C(CO)SC=C1 70866 [0,1,0,0,1,0|2,0,0]=4 660 B8R1.11 NCC1=C(Cl)C=CS1 38405 [0,1,0,0,1,0|2,0,0]=4 661 B8R1.11 OCC1=C(Br)N=CS1 26511 [0,1,0,0,1,0|2,0,0]=4 662 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [0,2,0,0,0,0|1,0,1]=4 663 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [0,2,0,0,0,0|0,0,0]=2 665 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [0,2,0,0,0,0|1,0,0]=3 666 B10R1.1 CCOC1=CN=C(Br)C=N1 52691 [0,2,0,0,0,0|1,0,0]=3 667 B10R1.1 CCOC1=CN=C(Br)N=C1 38793 [0,2,0,0,0,0|1,0,0]=3 668 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.1 COCC1=CC=C(O)C=C1 63646 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.1 COCC1=CN=C(Cl)N=C1 W10973 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [0,2,0,0,0,0|1,0,0]=3 674 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [0,2,0,0,0,0|1,0,0]=3 675 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [0,2,0,0,0,0|1,0,0]=3 676 B10R1.1 N#CCC1=CN=C(Br)C=C1 AB10135 [0,2,0,0,0,0|0,0,1]=3 677 B10R1.1 N#CCC1=CN=C(F)C=C1 93599 [0,2,0,0,0,0|0,0,1]=3 678 B10R1.1 N#CCC1=NN=C(Cl)C=C1 88652 [0,2,0,0,0,0|1,0,1]=4 679 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [0,2,0,0,0,0|0,0,0]=2 680 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.1 NNCC1=CN=C(Cl)C=C1 W16788 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [0,2,0,0,0,0|1,0,1]=4 684 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.3 C#CC1=CC=C(CBr)C=C1 79956 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.3 C#CC1=CC=C(CCl)C=C1 79958 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.3 C#CC1=CN=C(C#C)C=C1 T70234 [0,2,0,0,0,0|0,0,2]=4 689 B10R1.3 C#CC1=CN=C(C=O)C=C1 51748 [0,2,0,0,0,0|0,0,2]=4 690 B10R1.3 C#CC1=CN=C(CO)C=C1 AC2758 [0,2,0,0,0,0|0,0,2]=4 691 B10R1.3 C#CC1=NC=C(OC)C=C1 D84302 [0,2,0,0,0,0|1,0,0]=3 692 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.3 C=CC1=CN=C(C#N)C=C1 79121 [0,2,0,0,0,0|0,0,2]=4 694 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.3 CNC1=CN=C(C#N)C=C1 O11307 [0,2,0,0,0,0|1,0,0]=3 697 B10R1.3 CNC1=NC=C(C#N)C=C1 88567 [0,2,0,0,0,0|1,0,1]=4 698 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [0,2,0,0,0,0|1,0,1]=4 699 B10R1.3 COC1=CN=C(C#N)N=C1 39271 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [0,2,0,0,0,0|1,0,0]=3 702 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [0,2,0,0,0,0|1,0,0]=3 703 B10R1.3 COC1=CN=C(CCl)C=N1 F30446 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.3 COC1=CN=C(CO)N=C1 F30447 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.3 COC1=NC=C(CN)C=N1 P10610 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.3 COC1=NC=C(CO)C=N1 P11192 [0,2,0,0,0,0|2,0,0]=4 710 B10R1.3 COC1=NC=C(CO)N=C1 F30445 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.3 COC1=NC=C(NN)C=C1 F13050 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.3 COC1=NN=C(CO)C=C1 P11745 [0,2,0,0,0,0|2,0,0]=4 713 B10R1.3 COC1=NN=C(OC)C=C1 C75238 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.3 CSC1=CN=C(SC)N=C1 W16219 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.3 CSC1=NC=C(CO)C=N1 S10007 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.3 N#CC1=CN=C(C#N)C=C1 AB11965 [0,2,0,0,0,0|1,0,1]=4 718 B10R1.3 N#CC1=CN=C(C=O)C=C1 26613 [0,2,0,0,0,0|1,0,1]=4 719 B10R1.3 N#CC1=CN=C(CCl)C=C1 P11633 [0,2,0,0,0,0|1,0,1]=4 720 B10R1.3 N#CC1=CN=C(CN)C=C1 P16132 [0,2,0,0,0,0|1,0,1]=4 721 B10R1.3 N#CC1=CN=C(CN)C=C1 W18493 [0,2,0,0,0,0|1,0,1]=4 722 B10R1.3 N#CC1=CN=C(CO)C=C1 36548 [0,2,0,0,0,0|1,0,1]=4 723 B10R1.3 N#CC1=NC=C(CCl)C=C1 C71847 [0,2,0,0,0,0|1,0,0]=3 724 B10R1.3 N#CC1=NC=C(CN)C=C1 AB1091 [0,2,0,0,0,0|1,0,0]=3 725 B10R1.3 NCC1=CC=C(CBr)C=C1 54465 [0,2,0,0,0,0|2,0,0]=4 726 B10R1.3 NCC1=CC=C(CCl)C=C1 51899 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.3 O=CC1=CN=C(C=O)C=C1 D80964 [0,2,0,0,0,0|1,0,1]=4 729 B10R1.3 SCC1=CC=C(CS)C=C1 T70041 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,2,0,0,0,0|1,0,1]=4 731 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,2,0,0,0,0|1,0,1]=4 732 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,2,0,0,0,0|1,0,1]=4 733 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,2,0,0,0,0|1,0,1]=4 734 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,2,0,0,0,0|1,0,1]=4 735 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,2,0,0,0,0|1,0,1]=4 736 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,2,0,0,0,0|1,0,0]=3 737 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.13 CC(C)C1=NN=C(Br)C=C1 Y11125 [0,2,0,0,0,0|1,0,0]=3 741 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [0,2,0,0,0,0|1,0,1]=4 742 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,2,0,0,0,0|1,0,0]=3 743 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,2,0,0,0,0|1,0,0]=3 744 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,2,0,0,0,0|1,0,0]=3 745 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [0,2,0,0,0,0|1,0,0]=3 747 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,2,0,0,0,0|0,0,0]=2 751 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,2,0,0,0,0|0,0,0]=2 752 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT24774 [0,2,0,0,0,0|1,0,0]=3 753 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C15764 [0,2,0,0,0,0|1,0,0]=3 754 B10R1.13 CN(C)C1=CN=C(Cl)N=C1 D80206 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.13 CN(C)C1=CN=C(N)C=C1 N10123 [0,2,0,0,0,0|1,0,0]=3 756 B10R1.13 CN(C)C1=NN=C(Br)C=C1 A12070 [0,2,0,0,0,0|2,0,0]=4 757 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 S10309 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,2,0,0,0,0|1,0,0]=3 760 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,2,0,0,0,0|1,0,0]=3 761 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,2,0,0,0,0|1,0,0]=3 764 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,2,0,0,0,0|1,0,0]=3 765 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,2,0,0,0,0|1,0,0]=3 766 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,2,0,0,0,0|1,0,0]=3 768 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,2,0,0,0,0|1,0,0]=3 769 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,2,0,0,0,0|1,0,0]=3 770 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,2,0,0,0,0|0,0,0]=2 771 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,2,0,0,0,0|0,0,0]=2 772 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,2,0,0,0,0|0,0,0]=2 773 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,2,0,0,0,0|2,0,0]=4 775 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,2,0,0,0,0|2,0,0]=4 777 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,2,0,0,0,0|2,0,0]=4 779 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,2,0,0,0,0|2,0,0]=4 780 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,2,0,0,0,0|2,0,0]=4 781 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,2,0,0,0,0|2,0,0]=4 784 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,2,0,0,0,0|2,0,0]=4 786 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,2,0,0,0,0|1,0,0]=3 789 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,2,0,0,0,0|1,0,0]=3 790 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,2,0,0,0,0|1,0,0]=3 791 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,2,0,0,0,0|0,0,0]=2 792 B10R1.13 C[C@H](O)C1=CN=C(Cl)N=C1 P15879 [0,2,0,0,0,0|1,0,0]=3 793 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.13 ClC1=NN=C(C(Cl)Cl)C=C1 58548 [0,2,0,0,0,0|2,0,0]=4 795 B10R1.13 FC(F)C1=CC=C(I)C=C1 C71790 [0,2,0,0,0,0|2,0,0]=4 796 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 D80116 [0,2,0,0,0,0|1,0,0]=3 797 B10R1.13 FC(F)C1=NN=C(Cl)C=C1 C73280 [0,2,0,0,0,0|2,0,0]=4 798 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,2,0,0,0,0|1,0,1]=4 799 B10R1.13 NC1=CN=C(C(F)F)C=N1 D84905 [0,2,0,0,0,0|2,0,0]=4 800 B10R1.13 O=[N+]([O-])C1=CN=C(I)C=C1 T72219 [0,2,0,0,0,0|2,0,0]=4 801 B10R1.25 CC1=C(C#N)C=CC(Br)=N1 22703 [0,2,0,0,0,0|1,0,1]=4 802 B10R1.25 CC1=C(C#N)C=CC(Cl)=N1 22614 [0,2,0,0,0,0|1,0,1]=4 803 B10R1.25 CC1=C(C#N)C=CC(N)=N1 29233 [0,2,0,0,0,0|1,0,1]=4 804 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [0,2,0,0,0,0|1,0,1]=4 805 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [0,2,0,0,0,0|1,0,1]=4 806 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 93716 [0,2,0,0,0,0|2,0,0]=4 807 B10R1.25 CC1=C(CCl)C=CC(Br)=C1 AB10222 [0,2,0,0,0,0|2,0,0]=4 808 B10R1.25 CC1=C(CF)C=CC(Br)=C1 C73525 [0,2,0,0,0,0|2,0,0]=4 809 B10R1.25 CC1=C(CN)C=CC(Br)=C1 C71550 [0,2,0,0,0,0|2,0,0]=4 810 B10R1.25 CC1=C(CN)C=CC(N)=N1 D93406 [0,2,0,0,0,0|1,0,0]=3 811 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [0,2,0,0,0,0|1,0,0]=3 812 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [0,2,0,0,0,0|2,0,0]=4 813 B10R1.25 CC1=CC(Br)=C(CN)C=C1 W19042 [0,2,0,0,0,0|2,0,0]=4 814 B10R1.25 CC1=CC(Br)=NC=C1C=O C77172 [0,2,0,0,0,0|1,0,1]=4 815 B10R1.25 CC1=CC(C)=C(C=O)C=N1 C14259 [0,2,0,0,0,0|1,0,1]=4 816 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [0,2,0,0,0,0|2,0,0]=4 817 B10R1.25 CC1=CC(Cl)=C(C#N)C=N1 O11222 [0,2,0,0,0,0|1,0,1]=4 818 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 N12896 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.25 CC1=CC(Cl)=NC=C1C#N P12141 [0,2,0,0,0,0|1,0,1]=4 820 B10R1.25 CC1=CC(N)=C(CO)C=N1 C72979 [0,2,0,0,0,0|1,0,0]=3 821 B10R1.25 CC1=CC(O)=NC=C1C#N F13917 [0,2,0,0,0,0|1,0,1]=4 822 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [0,2,0,0,0,0|1,0,1]=4 823 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 C77257 [0,2,0,0,0,0|1,0,0]=3 824 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 W17836 [0,2,0,0,0,0|1,0,0]=3 825 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [0,2,0,0,0,0|1,0,0]=3 826 B10R1.25 CC1=NC=C(CN)C(N)=N1 33128 [0,2,0,0,0,0|2,0,0]=4 827 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [0,2,0,0,0,0|1,0,0]=3 828 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [0,2,0,0,0,0|1,0,0]=3 829 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [0,2,0,0,0,0|1,0,0]=3 830 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [0,2,0,0,0,0|1,0,0]=3 831 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [0,2,0,0,0,0|1,0,0]=3 832 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [0,2,0,0,0,0|1,0,0]=3 833 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [0,2,0,0,0,0|1,0,0]=3 834 B10R1.25 CCC1=CNC(=S)NC1=O 24523 [0,2,0,0,0,0|1,0,1]=4 835 B10R1.25 CCC1=NC=C(Br)C=C1N 38360 [0,2,0,0,0,0|2,0,0]=4 836 B10R1.25 CCC1=NC=C(Cl)N=C1Cl C72268 [0,2,0,0,0,0|1,0,0]=3 837 B10R1.25 CCN1C=CC(Br)=CC1=O P13647 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.25 CNC1=C(Br)C=C(F)C=C1 71883 [0,2,0,0,0,0|2,0,0]=4 839 B10R1.25 CNC1=C(C)C=C(O)C=C1 C16321 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.25 COC1=C(Br)C=C(Cl)N=C1 S10226 [0,2,0,0,0,0|1,0,0]=3 841 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [0,2,0,0,0,0|1,0,0]=3 843 B10R1.25 COC1=C(C)N=C(C)N=C1 O11463 [0,2,0,0,0,0|2,0,0]=4 844 B10R1.25 COC1=C(C)N=C(Cl)N=C1 72823 [0,2,0,0,0,0|2,0,0]=4 845 B10R1.25 COC1=C(C)N=C(N)N=C1 FD10682 [0,2,0,0,0,0|2,0,0]=4 846 B10R1.25 COC1=C(Cl)C=C(I)C=C1 F15482 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.25 COC1=C(Cl)C=C(N)N=C1 37736 [0,2,0,0,0,0|1,0,0]=3 848 B10R1.25 COC1=C(Cl)N=C(I)C=C1 72074 [0,2,0,0,0,0|1,0,0]=3 849 B10R1.25 COC1=C(F)N=C(Br)C=C1 CS1206 [0,2,0,0,0,0|1,0,0]=3 850 B10R1.25 COC1=C(I)C=C(Cl)N=C1 S10146 [0,2,0,0,0,0|1,0,0]=3 851 B10R1.25 COC1=C(I)C=C(Cl)N=N1 S11536 [0,2,0,0,0,0|2,0,0]=4 852 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [0,2,0,0,0,0|1,0,0]=3 853 B10R1.25 COC1=C(N)N=C(Cl)C=N1 C91504 [0,2,0,0,0,0|2,0,0]=4 854 B10R1.25 COC1=C(N)N=C(F)C=C1 D70935 [0,2,0,0,0,0|1,0,0]=3 855 B10R1.25 COC1=CC=C(Br)N=C1Br 79976 [0,2,0,0,0,0|1,0,0]=3 856 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [0,2,0,0,0,0|1,0,0]=3 857 B10R1.25 COC1=CC=C(C)N=C1I F30133 [0,2,0,0,0,0|1,0,0]=3 858 B10R1.25 COC1=CC=C(Cl)N=C1Br C72025 [0,2,0,0,0,0|1,0,0]=3 859 B10R1.25 COC1=CC=C(Cl)N=C1Cl 81824 [0,2,0,0,0,0|1,0,0]=3 860 B10R1.25 COC1=CC=C(Cl)N=C1I 82334 [0,2,0,0,0,0|1,0,0]=3 861 B10R1.25 COC1=CC=C(N)N=C1Cl F19661 [0,2,0,0,0,0|1,0,0]=3 862 B10R1.25 COC1=CN=C(Br)C=C1Cl F16734 [0,2,0,0,0,0|1,0,0]=3 863 B10R1.25 COC1=CN=C(Br)C=C1N AC1554 [0,2,0,0,0,0|1,0,0]=3 864 B10R1.25 COC1=CN=C(Br)C=C1O AT23971 [0,2,0,0,0,0|1,0,0]=3 865 B10R1.25 COC1=CN=C(C)N=C1Cl F30537 [0,2,0,0,0,0|2,0,0]=4 866 B10R1.25 COC1=CN=C(Cl)C=C1N C71879 [0,2,0,0,0,0|1,0,0]=3 867 B10R1.25 COC1=CN=C(N)NC1=O 28170 [0,2,0,0,0,0|2,0,0]=4 868 B10R1.25 COC1=CNC(=O)C=C1Br W15670 [0,2,0,0,0,0|1,0,1]=4 869 B10R1.25 COC1=NC=C(Cl)N=C1Cl W12644 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.25 COC1=NN=C(Cl)C=C1C C77016 [0,2,0,0,0,0|2,0,0]=4 871 B10R1.25 COC1=NN=C(Cl)C=C1N P10109 [0,2,0,0,0,0|2,0,0]=4 872 B10R1.25 CSC1=C(Br)C=C(F)C=C1 69928 [0,2,0,0,0,0|2,0,0]=4 873 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 Y11168 [0,2,0,0,0,0|2,0,0]=4 874 B10R1.25 CSC1=C(Cl)N=C(Cl)N=C1 P13091 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.25 CSC1=C(F)C=C(N)C=C1 94984 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.25 CSC1=C(F)N=C(F)C=C1 D79861 [0,2,0,0,0,0|1,0,0]=3 877 B10R1.25 CSC1=NC=C(Cl)N=C1Cl 38290 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.25 ClCC1=CC=C(Cl)N=C1Cl F19959 [0,2,0,0,0,0|1,0,0]=3 879 B10R1.25 ClCC1=CN=C(Cl)C=C1Cl F12172 [0,2,0,0,0,0|1,0,0]=3 880 B10R1.25 FC1=C(CBr)C=CC(I)=C1 55991 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.25 FC1=CC(I)=C(CBr)C=C1 56051 [0,2,0,0,0,0|2,0,0]=4 882 B10R1.25 N#CC1=C(I)C=C(Br)N=C1 53798 [0,2,0,0,0,0|1,0,1]=4 883 B10R1.25 N#CC1=C(I)C=C(Cl)N=C1 P11914 [0,2,0,0,0,0|1,0,1]=4 884 B10R1.25 N#CC1=C(N)N=C(Cl)C=C1 F50737 [0,2,0,0,0,0|1,0,1]=4 885 B10R1.25 N#CC1=C(N)N=C(N)C=C1 D83412 [0,2,0,0,0,0|1,0,1]=4 886 B10R1.25 N#CC1=CC=C(Cl)N=C1Br C72031 [0,2,0,0,0,0|1,0,1]=4 887 B10R1.25 N#CC1=CC=C(N)N=C1Cl O11528 [0,2,0,0,0,0|1,0,1]=4 888 B10R1.25 N#CC1=CC=C(O)N=C1O C15658 [0,2,0,0,0,0|1,0,1]=4 889 B10R1.25 NC1=C(CO)C=CC(Br)=N1 97230 [0,2,0,0,0,0|1,0,0]=3 890 B10R1.25 NC1=C(CO)C=NC(Cl)=N1 O10101 [0,2,0,0,0,0|2,0,0]=4 891 B10R1.25 NC1=CC(Cl)=NC=C1C=O 22929 [0,2,0,0,0,0|1,0,1]=4 892 B10R1.25 NCC1=C(Br)C=C(Cl)C=C1 C73878 [0,2,0,0,0,0|2,0,0]=4 893 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11612 [0,2,0,0,0,0|2,0,0]=4 894 B10R1.25 NCC1=C(Cl)C=C(Br)C=C1 Y12485 [0,2,0,0,0,0|2,0,0]=4 895 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14725 [0,2,0,0,0,0|2,0,0]=4 896 B10R1.25 NCC1=C(O)C=C(Br)C=C1 N13143 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 26730 [0,2,0,0,0,0|1,0,1]=4 898 B10R1.25 O=CC1=C(F)N=C(Br)C=C1 74727 [0,2,0,0,0,0|1,0,1]=4 899 B10R1.25 O=CC1=C(O)N=C(Br)C=C1 D80553 [0,2,0,0,0,0|1,0,1]=4 900 B10R1.25 O=CC1=CC=C(Cl)N=C1Br C71249 [0,2,0,0,0,0|1,0,1]=4 901 B10R1.25 O=CC1=CC=C(F)N=C1Cl F12185 [0,2,0,0,0,0|1,0,1]=4 902 B10R1.25 O=CC1=CN=C(Br)C=C1Cl CL0319 [0,2,0,0,0,0|1,0,1]=4 903 B10R1.25 OCC1=C(Br)C=C(O)C=C1 98273 [0,2,0,0,0,0|2,0,0]=4 904 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 CL9122 [0,2,0,0,0,0|2,0,0]=4 905 B10R1.25 OCC1=C(Cl)N=C(Cl)N=C1 O10032 [0,2,0,0,0,0|2,0,0]=4 906 B10R1.25 OCC1=C(F)N=C(Cl)C=C1 D70022 [0,2,0,0,0,0|1,0,0]=3 907 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 95677 [0,2,0,0,0,0|2,0,0]=4 908 B10R1.25 OCC1=C(O)C=C(Br)C=C1 35526 [0,2,0,0,0,0|2,0,0]=4 909 B10R1.25 OCC1=CC=C(Br)N=C1Br C75600 [0,2,0,0,0,0|1,0,0]=3 910 B10R1.176 BrCC1=CC(Br)=C(Br)C=C1 C76015 [0,2,0,0,0,0|2,0,0]=4 911 B10R1.176 CC1=C(Br)C=CC(CN)=C1 N12558 [0,2,0,0,0,0|2,0,0]=4 912 B10R1.176 CC1=C(Br)C=CC(CN)=C1 Y12257 [0,2,0,0,0,0|2,0,0]=4 913 B10R1.176 CC1=C(Cl)C=C(C#N)C=N1 79582 [0,2,0,0,0,0|1,0,1]=4 914 B10R1.176 CC1=C(F)C=CC(CBr)=C1 D87871 [0,2,0,0,0,0|2,0,0]=4 915 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14331 [0,2,0,0,0,0|2,0,0]=4 916 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [0,2,0,0,0,0|2,0,0]=4 917 B10R1.176 CC1=CC(C#N)=CN=C1Br 25892 [0,2,0,0,0,0|1,0,1]=4 918 B10R1.176 CC1=CC(C#N)=CN=C1C 72102 [0,2,0,0,0,0|1,0,1]=4 919 B10R1.176 CC1=CC(C#N)=CN=C1N 28393 [0,2,0,0,0,0|1,0,1]=4 920 B10R1.176 CC1=CC(C=O)=CN=C1Br 78107 [0,2,0,0,0,0|1,0,1]=4 921 B10R1.176 CC1=CC(CN)=CN=C1Cl D79766 [0,2,0,0,0,0|1,0,0]=3 922 B10R1.176 CC1=NC=C(C#N)C=C1N C74692 [0,2,0,0,0,0|1,0,1]=4 923 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [0,2,0,0,0,0|1,0,0]=3 924 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [0,2,0,0,0,0|1,0,0]=3 925 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [0,2,0,0,0,0|1,0,0]=3 926 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [0,2,0,0,0,0|1,0,0]=3 927 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [0,2,0,0,0,0|1,0,0]=3 928 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [0,2,0,0,0,0|1,0,0]=3 929 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [0,2,0,0,0,0|1,0,0]=3 930 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 C72403 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.176 CN1C=C(CN)C=CC1=O P16593 [0,2,0,0,0,0|1,0,1]=4 932 B10R1.176 CN1C=C(CO)C=CC1=O 37238 [0,2,0,0,0,0|1,0,1]=4 933 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [0,2,0,0,0,0|1,0,0]=3 934 B10R1.176 COC1=CC(Br)=C(Cl)N=C1 C14046 [0,2,0,0,0,0|1,0,0]=3 935 B10R1.176 COC1=CC(Cl)=C(I)C=C1 D72033 [0,2,0,0,0,0|2,0,0]=4 936 B10R1.176 COC1=CC(F)=C(N)N=C1 C71770 [0,2,0,0,0,0|1,0,0]=3 937 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [0,2,0,0,0,0|2,0,0]=4 939 B10R1.176 COC1=CN=C(Br)C(F)=C1 D83224 [0,2,0,0,0,0|1,0,0]=3 940 B10R1.176 COC1=CN=C(Br)C(N)=C1 24981 [0,2,0,0,0,0|1,0,0]=3 941 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C76383 [0,2,0,0,0,0|1,0,0]=3 942 B10R1.176 COC1=CN=C(Cl)C(N)=N1 C72387 [0,2,0,0,0,0|2,0,0]=4 943 B10R1.176 COC1=NC(C)=C(N)N=C1 D82743 [0,2,0,0,0,0|2,0,0]=4 944 B10R1.176 CSC1=CN=C(Br)C(F)=C1 D79863 [0,2,0,0,0,0|1,0,0]=3 945 B10R1.176 CSC1=CN=C(Cl)C(C)=C1 D79862 [0,2,0,0,0,0|1,0,0]=3 946 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 38289 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.176 ClC1=C(Br)C=CC(CBr)=C1 76034 [0,2,0,0,0,0|2,0,0]=4 948 B10R1.176 ClC1=C(I)C=C(CBr)C=N1 C77062 [0,2,0,0,0,0|1,0,0]=3 949 B10R1.176 FC1=C(I)C=CC(CBr)=C1 CL9459 [0,2,0,0,0,0|2,0,0]=4 950 B10R1.176 FC1=CC(CCl)=CN=C1Cl D84735 [0,2,0,0,0,0|1,0,0]=3 951 B10R1.176 N#CC1=CC(Cl)=C(O)N=C1 C73769 [0,2,0,0,0,0|1,0,1]=4 952 B10R1.176 N#CC1=CN=C(Cl)C(F)=C1 C71097 [0,2,0,0,0,0|1,0,1]=4 953 B10R1.176 NC1=C(F)C=C(CO)C=C1 74966 [0,2,0,0,0,0|2,0,0]=4 954 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [0,2,0,0,0,0|2,0,0]=4 955 B10R1.176 NCC1=CC(F)=C(Br)C=C1 95673 [0,2,0,0,0,0|2,0,0]=4 956 B10R1.176 NCC1=CC(F)=C(Br)C=C1 CS1629 [0,2,0,0,0,0|2,0,0]=4 957 B10R1.176 NCC1=CC(F)=C(N)C=C1 C90556 [0,2,0,0,0,0|2,0,0]=4 958 B10R1.176 NCC1=CC(O)=C(Cl)C=C1 Y11334 [0,2,0,0,0,0|2,0,0]=4 959 B10R1.176 NCC1=CC(O)=C(F)C=C1 D71055 [0,2,0,0,0,0|2,0,0]=4 960 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.176 NCC1=CN=C(Cl)C(F)=C1 Y12730 [0,2,0,0,0,0|1,0,0]=3 962 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 A12705 [0,2,0,0,0,0|1,0,1]=4 963 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 O11553 [0,2,0,0,0,0|1,0,1]=4 964 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 97698 [0,2,0,0,0,0|1,0,1]=4 965 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 C16801 [0,2,0,0,0,0|1,0,1]=4 966 B10R1.176 OC1=C(F)C=CC(CCl)=C1 D79295 [0,2,0,0,0,0|2,0,0]=4 967 B10R1.176 OCC1=CC(I)=C(Cl)N=C1 C72451 [0,2,0,0,0,0|1,0,0]=3 968 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [0,2,0,0,0,0|2,0,0]=4 969 B10R1.176 OCC1=CN=C(Cl)C(Cl)=C1 89008 [0,2,0,0,0,0|1,0,0]=3 970 B10R1.2 BrCC1=CC=CC(I)=C1Br CL8690 [0,2,0,0,0,0|2,0,0]=4 971 B10R1.2 CC1=C(Br)C=CC=C1CBr 54940 [0,2,0,0,0,0|2,0,0]=4 972 B10R1.2 CC1=C(Br)C=CC=C1CN 98269 [0,2,0,0,0,0|2,0,0]=4 973 B10R1.2 CC1=C(Br)C=NC=C1C#N 69661 [0,2,0,0,0,0|1,0,1]=4 974 B10R1.2 CC1=C(Br)C=NC=C1CO W10840 [0,2,0,0,0,0|1,0,0]=3 975 B10R1.2 CC1=C(F)C=NC=C1C#N 82235 [0,2,0,0,0,0|1,0,1]=4 976 B10R1.2 CC1=C(I)C=CC=C1CBr CL9688 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.2 CC1=C(I)C=CC=C1CO CL9687 [0,2,0,0,0,0|2,0,0]=4 978 B10R1.2 CC1=CC=CC(CN)=C1F CL9718 [0,2,0,0,0,0|2,0,0]=4 979 B10R1.2 CC1=CC=CC(CN)=C1O Y10488 [0,2,0,0,0,0|2,0,0]=4 980 B10R1.2 CC1=CC=CC(CO)=C1Br 74396 [0,2,0,0,0,0|2,0,0]=4 981 B10R1.2 CC1=CC=CC(CO)=C1O F20046 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [0,2,0,0,0,0|1,0,0]=3 983 B10R1.2 CCC1=CC=NC(N)=C1Br F50948 [0,2,0,0,0,0|2,0,0]=4 984 B10R1.2 CN1C=CC=C(CN)C1=O P19942 [0,2,0,0,0,0|1,0,1]=4 985 B10R1.2 CN1C=CC=C(CO)C1=O 37246 [0,2,0,0,0,0|1,0,1]=4 986 B10R1.2 CNC1=CC=CC(Br)=C1N 79197 [0,2,0,0,0,0|2,0,0]=4 987 B10R1.2 COC1=C(C)C(N)=CN=C1 N13054 [0,2,0,0,0,0|1,0,0]=3 988 B10R1.2 COC1=C(Cl)C(Cl)=NN=C1 C16141 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C12073 [0,2,0,0,0,0|2,0,0]=4 990 B10R1.2 COC1=C(I)C(N)=CC=C1 34421 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.2 COC1=C(N)C(N)=CC=C1 35991 [0,2,0,0,0,0|2,0,0]=4 992 B10R1.2 COC1=C(N)C(N)=CC=C1 Y10418 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.2 COC1=C(O)C(N)=CC=C1 O10656 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.2 COC1=CC=CC(Br)=C1Br CL8946 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.2 COC1=CC=CC(Cl)=C1Br F20980 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.2 COC1=CC=CC(Cl)=C1O O10746 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.2 COC1=CC=CC(F)=C1I 34512 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.2 COC1=CC=CC(I)=C1N S10846 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.2 COC1=CC=CC(I)=C1O 84030 [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.2 COC1=CN=CC(Br)=C1C CS1899 [0,2,0,0,0,0|1,0,0]=3 1001 B10R1.2 CSC1=CC=CC(Cl)=C1C F14681 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.2 N#CC1=CN=CC(Br)=C1Cl F12243 [0,2,0,0,0,0|1,0,1]=4 1003 B10R1.2 N#CC1=CN=CC(Cl)=C1N C73282 [0,2,0,0,0,0|1,0,1]=4 1004 B10R1.2 NC1=C(Br)C=NC=C1C=O C72169 [0,2,0,0,0,0|1,0,1]=4 1005 B10R1.2 NC1=C(Br)C=NC=C1CO C73470 [0,2,0,0,0,0|1,0,0]=3 1006 B10R1.2 NC1=C(Cl)C=NC=C1C=O 98150 [0,2,0,0,0,0|1,0,1]=4 1007 B10R1.2 NC1=C(F)C=CC=C1CO W11419 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.2 NCC1=CC=CC(Br)=C1F N13145 [0,2,0,0,0,0|2,0,0]=4 1009 B10R1.2 NCC1=CC=CC(Br)=C1F O10075 [0,2,0,0,0,0|2,0,0]=4 1010 B10R1.2 NCC1=CC=CC(F)=C1Br C71791 [0,2,0,0,0,0|2,0,0]=4 1011 B10R1.2 NCC1=CC=CC(I)=C1Br C72076 [0,2,0,0,0,0|2,0,0]=4 1012 B10R1.2 NCC1=CC=CC(O)=C1O S10740 [0,2,0,0,0,0|2,0,0]=4 1013 B10R1.2 O=CC1=CN=CC(Br)=C1Cl 66142 [0,2,0,0,0,0|1,0,1]=4 1014 B10R1.2 O=CC1=CN=CC(Br)=C1O D82530 [0,2,0,0,0,0|1,0,1]=4 1015 B10R1.2 OCC1=CC=CC(F)=C1Br 35519 [0,2,0,0,0,0|2,0,0]=4 1016 B10R1.2 OCC1=CC=CC(F)=C1Cl CL8694 [0,2,0,0,0,0|2,0,0]=4 1017 B10R1.2 OCC1=CC=CC(F)=C1I 79245 [0,2,0,0,0,0|2,0,0]=4 1018 B10R1.2 OCC1=CC=CC(I)=C1Br CL8691 [0,2,0,0,0,0|2,0,0]=4 1019 B10R1.8 CC1=CC(Br)=CC(CN)=C1 92716 [0,2,0,0,0,0|2,0,0]=4 1020 B10R1.8 CC1=CC(Br)=CC(CO)=C1 52074 [0,2,0,0,0,0|2,0,0]=4 1021 B10R1.8 CC1=CC(CO)=CC(N)=C1 35511 [0,2,0,0,0,0|2,0,0]=4 1022 B10R1.8 CC1=CC(F)=CC(CN)=C1 D81546 [0,2,0,0,0,0|2,0,0]=4 1023 B10R1.8 CCC1=CC(Br)=CC(N)=C1 O10968 [0,2,0,0,0,0|1,0,0]=3 1024 B10R1.8 CCC1=CC(C)=CC(O)=C1 D84187 [0,2,0,0,0,0|1,0,0]=3 1025 B10R1.8 CNC1=CC(F)=CC(F)=C1 W16587 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.8 NC1=CC(CO)=CC(I)=C1 68577 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.8 OCC1=CC(Br)=CC(O)=C1 C14009 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.8 OCC1=CC(I)=CC(I)=C1 C75498 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [0,2,0,0,0,0|1,0,1]=4 1030 B10R1.10 CC#CC1=CC(Br)=CN=C1 F13546 [0,2,0,0,0,0|0,0,1]=3 1031 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [0,2,0,0,0,0|1,0,1]=4 1032 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,2,0,0,0,0|1,0,0]=3 1033 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [0,2,0,0,0,0|1,0,0]=3 1034 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [0,2,0,0,0,0|1,0,0]=3 1035 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [0,2,0,0,0,0|1,0,0]=3 1036 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [0,2,0,0,0,0|1,0,0]=3 1037 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.10 CCOC1=CC(Cl)=NN=C1 C77015 [0,2,0,0,0,0|1,0,0]=3 1040 B10R1.10 CCOC1=NC(C)=CN=C1 C75488 [0,2,0,0,0,0|1,0,0]=3 1041 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [0,2,0,0,0,0|2,0,0]=4 1042 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [0,2,0,0,0,0|1,0,0]=3 1044 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [0,2,0,0,0,0|2,0,0]=4 1045 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [0,2,0,0,0,0|0,0,0]=2 1046 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [0,2,0,0,0,0|2,0,0]=4 1047 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [0,2,0,0,0,0|1,0,0]=3 1048 B10R1.10 CSCC1=CC(N)=NC=C1 79313 [0,2,0,0,0,0|2,0,0]=4 1049 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [0,2,0,0,0,0|1,0,0]=3 1050 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [0,2,0,0,0,0|1,0,0]=3 1051 B10R1.10 N#CCC1=CC(Br)=CN=C1 69670 [0,2,0,0,0,0|0,0,1]=3 1052 B10R1.10 N#CCC1=CC(F)=CN=C1 39148 [0,2,0,0,0,0|0,0,1]=3 1053 B10R1.10 N#CCC1=CN=CC(Cl)=N1 88650 [0,2,0,0,0,0|1,0,1]=4 1054 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [0,2,0,0,0,0|1,0,0]=3 1055 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [0,2,0,0,0,0|2,0,0]=4 1056 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [0,2,0,0,0,0|1,0,1]=4 1058 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [0,2,0,0,0,0|1,0,1]=4 1059 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [0,2,0,0,0,0|2,0,0]=4 1060 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [0,2,0,0,0,0|2,0,0]=4 1062 B10R1.30 C#CC1=CC(Br)=CN=C1N 27187 [0,2,0,0,0,0|0,0,2]=4 1063 B10R1.30 CC1=C(CCl)C=C(Cl)C=C1 AT13353 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.30 CC1=C(CO)C=C(Cl)C=C1 70915 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.30 CC1=C(CO)C=C(I)C=C1 F20542 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.30 CC1=CC(C#N)=C(N)N=C1 C74945 [0,2,0,0,0,0|1,0,1]=4 1067 B10R1.30 CC1=CC(CBr)=C(C)C=C1 CL9683 [0,2,0,0,0,0|2,0,0]=4 1068 B10R1.30 CC1=CC(CN)=C(F)C=C1 W18911 [0,2,0,0,0,0|2,0,0]=4 1069 B10R1.30 CC1=CC(CO)=C(Br)C=C1 78891 [0,2,0,0,0,0|2,0,0]=4 1070 B10R1.30 CC1=CC(CO)=C(O)C=C1 A11080 [0,2,0,0,0,0|2,0,0]=4 1071 B10R1.30 CC1=CN=C(Br)C(C#N)=C1 C76069 [0,2,0,0,0,0|1,0,1]=4 1072 B10R1.30 CC1=CN=C(Cl)C(C=O)=C1 81874 [0,2,0,0,0,0|1,0,1]=4 1073 B10R1.30 CC1=CN=C(F)C(C#N)=C1 C71911 [0,2,0,0,0,0|1,0,1]=4 1074 B10R1.30 CC1=NC=C(Br)C=C1C#N D82435 [0,2,0,0,0,0|1,0,1]=4 1075 B10R1.30 CC1=NC=C(Br)C=C1CN AC1104 [0,2,0,0,0,0|1,0,0]=3 1076 B10R1.30 CC1=NC=C(Cl)C=C1C#N 26673 [0,2,0,0,0,0|1,0,1]=4 1077 B10R1.30 CC1=NC=C(Cl)C=C1C=O CL0290 [0,2,0,0,0,0|1,0,1]=4 1078 B10R1.30 CCC1=C(N)C=CC(F)=C1 D83440 [0,2,0,0,0,0|1,0,0]=3 1079 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.30 CCC1=CC(=O)NN=C1Cl S11537 [0,2,0,0,0,0|1,0,0]=3 1081 B10R1.30 CCC1=CC(Cl)=NN=C1Cl S11033 [0,2,0,0,0,0|1,0,0]=3 1082 B10R1.30 CCC1=CC(Cl)=NNC1=O S11535 [0,2,0,0,0,0|1,0,1]=4 1083 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [0,2,0,0,0,0|1,0,0]=3 1084 B10R1.30 CCN1C=C(Br)C=CC1=O AC2035 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 W16029 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.30 CNC1=C(C)C=CC(O)=C1 C75943 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.30 CNC1=C(N)C=CC(C)=C1 N12938 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.30 CNC1=CC(Br)=CN=C1N N10250 [0,2,0,0,0,0|1,0,0]=3 1089 B10R1.30 COC1=C(I)C=CC(C)=C1 Y14673 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.30 COC1=C(I)C=CC(N)=C1 C71377 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.30 COC1=C(N)C=CC(Cl)=C1 AB2767 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.30 COC1=C(N)C=CC(N)=C1 E10141 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.30 COC1=C(N)C=CC(O)=C1 30482 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.30 COC1=CC(=O)NN=C1Cl F20647 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [0,2,0,0,0,0|1,0,0]=3 1096 B10R1.30 COC1=CC(Cl)=NN=C1N C10835 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.30 COC1=CC(N)=CN=C1Cl 54845 [0,2,0,0,0,0|1,0,0]=3 1098 B10R1.30 COC1=NC(Br)=CN=C1Br I11275 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.30 COC1=NC(Br)=CN=C1I 27639 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [0,2,0,0,0,0|2,0,0]=4 1101 B10R1.30 COC1=NC(C)=CN=C1N C77014 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.30 COC1=NC(N)=CN=C1Br D82133 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.30 CSC1=C(C)C=CC(Cl)=C1 D83340 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.30 CSC1=CC(Cl)=CN=C1Cl 79286 [0,2,0,0,0,0|1,0,0]=3 1105 B10R1.30 ClCC1=C(Br)C=CC(Br)=C1 68638 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.30 ClCC1=C(Cl)C=CC(Br)=C1 35517 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.30 N#CC1=CC(Br)=CN=C1Br A11646 [0,2,0,0,0,0|1,0,1]=4 1108 B10R1.30 N#CC1=CC(Br)=CN=C1F F12241 [0,2,0,0,0,0|1,0,1]=4 1109 B10R1.30 N#CC1=CC(Br)=CN=C1I D78933 [0,2,0,0,0,0|1,0,1]=4 1110 B10R1.30 N#CC1=CC(Cl)=CN=C1N 36458 [0,2,0,0,0,0|1,0,1]=4 1111 B10R1.30 N#CC1=CC(Cl)=CN=C1O N10148 [0,2,0,0,0,0|1,0,1]=4 1112 B10R1.30 N#CC1=CC(F)=CN=C1Br P17521 [0,2,0,0,0,0|1,0,1]=4 1113 B10R1.30 N#CC1=CC(F)=CN=C1N 79433 [0,2,0,0,0,0|1,0,1]=4 1114 B10R1.30 N#CC1=CC(N)=CN=C1Cl P11010 [0,2,0,0,0,0|1,0,1]=4 1115 B10R1.30 N#CC1=CC(O)=CN=C1Cl 38311 [0,2,0,0,0,0|1,0,1]=4 1116 B10R1.30 NC1=C(CO)N=C(Br)C=N1 51254 [0,2,0,0,0,0|2,0,0]=4 1117 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 35510 [0,2,0,0,0,0|2,0,0]=4 1118 B10R1.30 NCC1=C(Br)C=CC(Br)=C1 N12804 [0,2,0,0,0,0|2,0,0]=4 1119 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 CK1118 [0,2,0,0,0,0|2,0,0]=4 1120 B10R1.30 NCC1=C(N)C=CC(Br)=C1 C71032 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.30 NCC1=C(O)C=CC(Br)=C1 O10496 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.30 O=CC1=CC(Cl)=CN=C1Br 79175 [0,2,0,0,0,0|1,0,1]=4 1123 B10R1.30 O=CC1=CC(F)=CN=C1Cl 85374 [0,2,0,0,0,0|1,0,1]=4 1124 B10R1.30 OCC1=C(Cl)C=CC(O)=C1 C76883 [0,2,0,0,0,0|2,0,0]=4 1125 B10R1.30 OCC1=CC(Br)=CN=C1O C71870 [0,2,0,0,0,0|1,0,0]=3 1126 B10R1.30 OCC1=CC(Cl)=CN=C1Br C71878 [0,2,0,0,0,0|1,0,0]=3 1127 B10R1.30 OCC1=CC(Cl)=CN=C1Cl 55139 [0,2,0,0,0,0|1,0,0]=3 1128 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,2,0,0,0,0|0,0,1]=3 1129 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,2,0,0,0,0|1,0,1]=4 1130 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,2,0,0,0,0|1,0,1]=4 1131 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,2,0,0,0,0|0,0,1]=3 1132 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,2,0,0,0,0|0,0,1]=3 1133 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,2,0,0,0,0|1,0,1]=4 1134 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,2,0,0,0,0|1,0,1]=4 1135 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,2,0,0,0,0|0,0,2]=4 1136 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [0,2,0,0,0,0|0,0,0]=2 1137 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [0,2,0,0,0,0|2,0,0]=4 1138 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [0,2,0,0,0,0|2,0,0]=4 1139 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [0,2,0,0,0,0|2,0,0]=4 1140 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [0,2,0,0,0,0|0,0,0]=2 1141 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [0,2,0,0,0,0|2,0,0]=4 1143 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [0,2,0,0,0,0|2,0,0]=4 1144 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,2,0,0,0,0|2,0,0]=4 1145 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,2,0,0,0,0|1,0,0]=3 1146 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,2,0,0,0,0|1,0,0]=3 1147 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,2,0,0,0,0|1,0,0]=3 1148 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,2,0,0,0,0|1,0,0]=3 1149 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,2,0,0,0,0|1,0,0]=3 1150 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,2,0,0,0,0|1,0,0]=3 1151 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,2,0,0,0,0|1,0,0]=3 1152 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [0,2,0,0,0,0|2,0,0]=4 1154 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.113 CN(C)C1=CC(=O)NN=C1 C75118 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.113 CN(C)C1=CC(Br)=NN=C1 P18627 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [0,2,0,0,0,0|0,0,0]=2 1158 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [0,2,0,0,0,0|0,0,0]=2 1159 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [0,2,0,0,0,0|0,0,0]=2 1160 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [0,2,0,0,0,0|0,0,0]=2 1161 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y10857 [0,2,0,0,0,0|2,0,0]=4 1162 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y11465 [0,2,0,0,0,0|2,0,0]=4 1163 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [0,2,0,0,0,0|0,0,0]=2 1164 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [0,2,0,0,0,0|0,0,0]=2 1165 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [0,2,0,0,0,0|0,0,0]=2 1166 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [0,2,0,0,0,0|0,0,0]=2 1167 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 74119 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11225 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y12112 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13390 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13391 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [0,2,0,0,0,0|0,0,0]=2 1173 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [0,2,0,0,0,0|0,0,0]=2 1174 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [0,2,0,0,0,0|0,0,0]=2 1175 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [0,2,0,0,0,0|1,0,0]=3 1176 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [0,2,0,0,0,0|1,0,0]=3 1177 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [0,2,0,0,0,0|2,0,0]=4 1178 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [0,2,0,0,0,0|2,0,0]=4 1179 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [0,2,0,0,0,0|2,0,0]=4 1183 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [0,2,0,0,0,0|2,0,0]=4 1184 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [0,2,0,0,0,0|1,0,0]=3 1185 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [0,2,0,0,0,0|1,0,0]=3 1186 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [0,2,0,0,0,0|1,0,0]=3 1187 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [0,2,0,0,0,0|1,0,0]=3 1190 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [0,2,0,0,0,0|1,0,0]=3 1191 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [0,2,0,0,0,0|1,0,0]=3 1192 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [0,2,0,0,0,0|1,0,0]=3 1193 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [0,2,0,0,0,0|1,0,0]=3 1194 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [0,2,0,0,0,0|1,0,0]=3 1199 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [0,2,0,0,0,0|1,0,0]=3 1200 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,2,0,0,0,0|1,0,0]=3 1201 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,2,0,0,0,0|1,0,0]=3 1202 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,2,0,0,0,0|1,0,0]=3 1203 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,2,0,0,0,0|1,0,0]=3 1204 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,2,0,0,0,0|1,0,0]=3 1205 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,2,0,0,0,0|1,0,0]=3 1206 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,2,0,0,0,0|1,0,0]=3 1207 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,2,0,0,0,0|1,0,0]=3 1208 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,2,0,0,0,0|2,0,0]=4 1209 B10R1.113 FC(F)C1=CC=CC(I)=C1 72424 [0,2,0,0,0,0|2,0,0]=4 1210 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,2,0,0,0,0|1,0,1]=4 1211 B10R1.113 NC(=S)C1=CN=CC(F)=C1 W11938 [0,2,0,0,0,0|1,0,1]=4 1212 B10R1.113 NC1=CC(B(O)O)=CN=C1 69521 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.113 O=[N+]([O-])C1=CN=CC(O)=C1 26591 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.113 OB(O)C1=CC(O)=CN=C1 FD10099 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.113 OC1=CC=CC(C(F)F)=C1 71582 [0,2,0,0,0,0|2,0,0]=4 1216 B10R1.172 C#CC1=CC=CC(CN)=C1 C75883 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.172 C#CC1=CC=CC(SC)=C1 W13076 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.172 CCC1=CC=CC(CO)=N1 26583 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.172 CNC1=CC=CC(C#N)=C1 O10890 [0,2,0,0,0,0|2,0,0]=4 1221 B10R1.172 CNC1=CC=CC(NC)=C1 76715 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.172 COC1=CN=CC(CN)=C1 38429 [0,2,0,0,0,0|1,0,0]=3 1223 B10R1.172 COC1=CN=CC(CN)=C1 Y14791 [0,2,0,0,0,0|1,0,0]=3 1224 B10R1.172 COC1=CN=CC(OC)=C1 24562 [0,2,0,0,0,0|1,0,0]=3 1225 B10R1.172 COC1=NC(C#N)=CN=C1 O10820 [0,2,0,0,0,0|2,0,0]=4 1226 B10R1.172 N#CC1=CC(C=O)=CN=C1 P10440 [0,2,0,0,0,0|1,0,1]=4 1227 B10R1.172 N#CC1=CC(CBr)=CN=C1 C71756 [0,2,0,0,0,0|1,0,0]=3 1228 B10R1.172 N#CC1=CC(CCl)=CN=C1 W18540 [0,2,0,0,0,0|1,0,0]=3 1229 B10R1.172 N#CC1=CC(CN)=CC=C1 CL8992 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.172 N#CC1=CC(CO)=CN=C1 O11305 [0,2,0,0,0,0|1,0,0]=3 1231 B10R1.172 N#CC1=CN=CC(C#N)=C1 20578 [0,2,0,0,0,0|1,0,1]=4 1232 B10R1.172 O=CC1=CC(CO)=CC=C1 N13346 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.172 OCC1=CC=CC(CBr)=C1 23785 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [0,2,0,0,0,0|1,0,1]=4 1235 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [0,2,0,0,0,0|1,0,1]=4 1236 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,2,0,0,0,0|1,0,1]=4 1237 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,2,0,0,0,0|1,0,0]=3 1238 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [0,2,0,0,0,0|1,0,1]=4 1239 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [0,2,0,0,0,0|1,0,1]=4 1240 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [0,2,0,0,0,0|1,0,1]=4 1241 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,2,0,0,0,0|1,0,0]=3 1242 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,2,0,0,0,0|1,0,0]=3 1243 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,2,0,0,0,0|1,0,0]=3 1244 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,2,0,0,0,0|0,0,0]=2 1245 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,2,0,0,0,0|0,0,0]=2 1246 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [0,2,0,0,0,0|2,0,0]=4 1247 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [0,2,0,0,0,0|2,0,0]=4 1249 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,2,0,0,0,0|2,0,0]=4 1251 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,2,0,0,0,0|1,0,0]=3 1257 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,2,0,0,0,0|1,0,0]=3 1258 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,2,0,0,0,0|1,0,1]=4 1259 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,2,0,0,0,0|1,0,0]=3 1260 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,2,0,0,0,0|1,0,0]=3 1261 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,2,0,0,0,0|0,0,0]=2 1267 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,2,0,0,0,0|0,0,0]=2 1268 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,2,0,0,0,0|0,0,1]=3 1271 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,2,0,0,0,0|1,0,1]=4 1272 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,2,0,0,0,0|1,0,1]=4 1273 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,2,0,0,0,0|1,0,1]=4 1274 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,2,0,0,0,0|1,0,0]=3 1275 B10R1.28 CC(C)(N)C1=CC=CN=C1 27050 [0,2,0,0,0,0|0,0,0]=2 1276 B10R1.28 CC(C)(N)C1=CC=NC=C1 F17065 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [0,2,0,0,0,0|0,0,0]=2 1279 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,2,0,0,0,0|1,0,1]=4 1284 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,2,0,0,0,0|0,0,1]=3 1285 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,2,0,0,0,0|1,0,1]=4 1286 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,2,0,0,0,0|0,0,1]=3 1287 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [0,2,0,0,0,0|1,0,1]=4 1288 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,2,0,0,0,0|0,0,1]=3 1289 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,2,0,0,0,0|0,0,1]=3 1290 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,2,0,0,0,0|0,0,2]=4 1291 B10R1.61 CC(C)C1=C(N)C=CN=C1 C77054 [0,2,0,0,0,0|0,0,0]=2 1292 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [0,2,0,0,0,0|2,0,0]=4 1293 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [0,2,0,0,0,0|1,0,0]=3 1294 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [0,2,0,0,0,0|0,0,0]=2 1295 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [0,2,0,0,0,0|0,0,0]=2 1296 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [0,2,0,0,0,0|2,0,0]=4 1297 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [0,2,0,0,0,0|1,0,0]=3 1298 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,2,0,0,0,0|1,0,1]=4 1299 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,2,0,0,0,0|1,0,1]=4 1300 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,2,0,0,0,0|1,0,0]=3 1301 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,2,0,0,0,0|1,0,0]=3 1302 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,2,0,0,0,0|1,0,0]=3 1303 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,2,0,0,0,0|1,0,0]=3 1304 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 C76767 [0,2,0,0,0,0|2,0,0]=4 1305 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,2,0,0,0,0|2,0,0]=4 1306 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,2,0,0,0,0|2,0,0]=4 1307 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,2,0,0,0,0|2,0,0]=4 1310 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,2,0,0,0,0|2,0,0]=4 1311 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [0,2,0,0,0,0|0,0,0]=2 1312 B10R1.61 C[C@H](Cl)C1=C(F)C=NC=C1 W10402 [0,2,0,0,0,0|2,0,0]=4 1313 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [0,2,0,0,0,0|1,0,0]=3 1314 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [0,2,0,0,0,0|1,0,0]=3 1315 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [0,2,0,0,0,0|1,0,0]=3 1316 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,2,0,0,0,0|1,0,0]=3 1320 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,2,0,0,0,0|1,0,0]=3 1321 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,2,0,0,0,0|1,0,0]=3 1322 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [0,2,0,0,0,0|2,0,0]=4 1323 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [0,2,0,0,0,0|1,0,0]=3 1324 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [0,2,0,0,0,0|1,0,0]=3 1325 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [0,2,0,0,0,0|1,0,0]=3 1326 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [0,2,0,0,0,0|1,0,0]=3 1327 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [0,2,0,0,0,0|1,0,0]=3 1328 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [0,2,0,0,0,0|2,0,0]=4 1329 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [0,2,0,0,0,0|2,0,0]=4 1330 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [0,2,0,0,0,0|1,0,0]=3 1331 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,2,0,0,0,0|1,0,0]=3 1332 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,2,0,0,0,0|1,0,0]=3 1333 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,2,0,0,0,0|1,0,0]=3 1334 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,2,0,0,0,0|2,0,0]=4 1335 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,2,0,0,0,0|2,0,0]=4 1336 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,2,0,0,0,0|1,0,0]=3 1337 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [0,2,0,0,0,0|0,0,0]=2 1338 B10R1.61 NC1=C(B(O)O)C=CC=N1 RB2059 [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.61 NC1=C(C(F)F)C=CC=C1 72620 [0,2,0,0,0,0|2,0,0]=4 1340 B10R1.61 NC1=C(C(F)F)C=CC=N1 C76895 [0,2,0,0,0,0|1,0,0]=3 1341 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,2,0,0,0,0|1,0,1]=4 1342 B10R1.61 O=[N+]([O-])C1=C(F)C=CN=C1 I10226 [0,2,0,0,0,0|2,0,0]=4 1343 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 FD10058 [0,2,0,0,0,0|2,0,0]=4 1344 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [0,2,0,0,0,0|1,0,0]=3 1345 B10R1.4 CC1=CC=CN=C1CCN C80033 [0,2,0,0,0,0|2,0,0]=4 1346 B10R1.4 CCNC1=C(N)C=NC=C1 W19029 [0,2,0,0,0,0|2,0,0]=4 1347 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [0,2,0,0,0,0|1,0,0]=3 1348 B10R1.4 CCNC1=CC=CN=C1N P19791 [0,2,0,0,0,0|0,0,0]=2 1349 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [0,2,0,0,0,0|0,0,0]=2 1350 B10R1.4 CCOC1=CC=CN=C1F AC1769 [0,2,0,0,0,0|0,0,0]=2 1351 B10R1.4 CCOC1=CC=CNC1=O N13107 [0,2,0,0,0,0|0,0,1]=3 1352 B10R1.4 CCOC1=NC=CC=C1O 79061 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.4 CCOC1=NC=CN=C1N 25986 [0,2,0,0,0,0|1,0,0]=3 1354 B10R1.4 CNCC1=CC=CN=C1C AC2519 [0,2,0,0,0,0|0,0,0]=2 1355 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [0,2,0,0,0,0|1,0,0]=3 1356 B10R1.4 N#CCC1=C(N)N=CC=C1 D81373 [0,2,0,0,0,0|0,0,1]=3 1357 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [0,2,0,0,0,0|1,0,1]=4 1358 B10R1.4 N#CCC1=CC=CN=C1Br C71752 [0,2,0,0,0,0|0,0,1]=3 1359 B10R1.4 N#CCC1=NC=CN=C1Cl 38700 [0,2,0,0,0,0|1,0,1]=4 1360 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [0,2,0,0,0,0|0,0,0]=2 1361 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [0,2,0,0,0,0|1,0,0]=3 1363 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [0,2,0,0,0,0|2,0,0]=4 1364 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [0,2,0,0,0,0|1,0,1]=4 1365 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [0,2,0,0,0,0|1,0,1]=4 1366 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [0,2,0,0,0,0|2,0,0]=4 1367 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [0,2,0,0,0,0|1,0,0]=3 1368 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,2,0,0,0,0|2,0,0]=4 1369 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,2,0,0,0,0|1,0,0]=3 1370 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,2,0,0,0,0|1,0,0]=3 1371 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,2,0,0,0,0|0,0,0]=2 1372 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,2,0,0,0,0|1,0,0]=3 1373 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,2,0,0,0,0|0,0,0]=2 1374 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,2,0,0,0,0|1,0,0]=3 1375 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [0,2,0,0,0,0|2,0,0]=4 1376 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [0,2,0,0,0,0|1,0,1]=4 1377 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,2,0,0,0,0|0,0,0]=2 1378 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,2,0,0,0,0|2,0,0]=4 1379 B10R1.17 NCCOC1=CC=NC=C1 F31099 [0,2,0,0,0,0|2,0,0]=4 1380 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [0,2,0,0,0,0|2,0,0]=4 1381 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,2,0,0,0,0|0,0,0]=2 1382 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,2,0,0,0,0|1,0,0]=3 1384 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,2,0,0,0,0|0,0,0]=2 1385 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,2,0,0,0,0|1,0,1]=4 1386 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,2,0,0,0,0|1,0,1]=4 1389 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,2,0,0,0,0|1,0,1]=4 1390 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [0,2,0,0,0,0|1,0,1]=4 1391 B10R1.18 O=C([O-])CC1=CN=NC=C1 P14654 [0,2,0,0,0,0|1,0,1]=4 1392 B10R1.20 BrCC1=C(CBr)C=NC=C1 D79457 [0,2,0,0,0,0|1,0,0]=3 1393 B10R1.20 C#CC1=C(CO)C=CC=N1 W12663 [0,2,0,0,0,0|1,0,0]=3 1394 B10R1.20 C#CC1=CC=CN=C1OC C71657 [0,2,0,0,0,0|0,0,2]=4 1395 B10R1.20 C=CC1=C(CO)C=CC=C1 C74805 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.20 CNC1=C(C#N)C=CC=C1 C77665 [0,2,0,0,0,0|2,0,0]=4 1397 B10R1.20 CNC1=C(C#N)C=CN=N1 32475 [0,2,0,0,0,0|2,0,0]=4 1398 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [0,2,0,0,0,0|2,0,0]=4 1399 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [0,2,0,0,0,0|1,0,1]=4 1400 B10R1.20 CNC1=C(CCl)C=CC=C1 D93985 [0,2,0,0,0,0|2,0,0]=4 1401 B10R1.20 COC1=C(C#N)C=CN=C1 W19146 [0,2,0,0,0,0|1,0,0]=3 1402 B10R1.20 COC1=C(C#N)C=NC=C1 64002 [0,2,0,0,0,0|1,0,1]=4 1403 B10R1.20 COC1=C(C#N)N=CN=C1 81453 [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [0,2,0,0,0,0|1,0,0]=3 1405 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [0,2,0,0,0,0|1,0,0]=3 1406 B10R1.20 COC1=C(CBr)C=NC=C1 79192 [0,2,0,0,0,0|1,0,0]=3 1407 B10R1.20 COC1=C(CN)C=CN=C1 C73553 [0,2,0,0,0,0|1,0,0]=3 1408 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [0,2,0,0,0,0|1,0,0]=3 1409 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [0,2,0,0,0,0|1,0,0]=3 1410 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [0,2,0,0,0,0|1,0,0]=3 1411 B10R1.20 COC1=C(NN)N=CN=C1 H10178 [0,2,0,0,0,0|2,0,0]=4 1412 B10R1.20 COC1=CC=CN=C1C=O P10318 [0,2,0,0,0,0|1,0,0]=3 1413 B10R1.20 COC1=CC=CN=C1CBr O10505 [0,2,0,0,0,0|1,0,0]=3 1414 B10R1.20 COC1=CC=CN=C1CCl 60117 [0,2,0,0,0,0|1,0,0]=3 1415 B10R1.20 COC1=CN=CN=C1OC H10157 [0,2,0,0,0,0|2,0,0]=4 1416 B10R1.20 COC1=NC=CC=C1CN 37576 [0,2,0,0,0,0|1,0,0]=3 1417 B10R1.20 COC1=NC=CC=C1NN D84114 [0,2,0,0,0,0|2,0,0]=4 1418 B10R1.20 COC1=NC=CN=C1NN C74005 [0,2,0,0,0,0|2,0,0]=4 1419 B10R1.20 COC1=NC=CN=C1OC 21131 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [0,2,0,0,0,0|2,0,0]=4 1421 B10R1.20 N#CC1=C(C=O)C=CN=C1 D82534 [0,2,0,0,0,0|1,0,1]=4 1422 B10R1.20 N#CC1=C(CBr)C=CC=N1 87640 [0,2,0,0,0,0|1,0,0]=3 1423 B10R1.20 N#CC1=C(CN)C=CC=C1 A51071 [0,2,0,0,0,0|2,0,0]=4 1424 B10R1.20 N#CC1=CC=CN=C1CCl A51113 [0,2,0,0,0,0|1,0,1]=4 1425 B10R1.20 NCC1=C(CN)C=CC=C1 20182 [0,2,0,0,0,0|2,0,0]=4 1426 B10R1.20 OCC1=C(CBr)C=CC=C1 O10024 [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.20 OCC1=C(CF)C=CC=C1 W10520 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.20 OCC1=C(CO)C=NC=C1 30227 [0,2,0,0,0,0|1,0,0]=3 1429 B10R1.20 OCC1=C(CO)C=NC=C1 39456 [0,2,0,0,0,0|1,0,0]=3 1430 B10R1.20 OCC1=CC=CN=C1CO 75308 [0,2,0,0,0,0|1,0,0]=3 1431 B10R1.20 OCC1=CC=CN=C1CO S11918 [0,2,0,0,0,0|1,0,0]=3 1432 B10R1.245 BrCC1=C(Br)C=CC=C1Br 96245 [0,2,0,0,0,0|2,0,0]=4 1433 B10R1.245 C=CC1=C(Br)C=CN=C1O P17602 [0,2,0,0,0,0|0,0,2]=4 1434 B10R1.245 C=CC1=C(F)C=CN=C1O P17601 [0,2,0,0,0,0|0,0,2]=4 1435 B10R1.245 C=CC1=C(I)C=CN=C1O P17600 [0,2,0,0,0,0|0,0,2]=4 1436 B10R1.245 CC1=C(C#N)C(Br)=NC=C1 I11217 [0,2,0,0,0,0|1,0,1]=4 1437 B10R1.245 CC1=CC=CC(Cl)=C1CN Y12256 [0,2,0,0,0,0|2,0,0]=4 1438 B10R1.245 CC1=CC=CC(F)=C1CO W16613 [0,2,0,0,0,0|2,0,0]=4 1439 B10R1.245 CC1=CC=CC(O)=C1CO C74535 [0,2,0,0,0,0|2,0,0]=4 1440 B10R1.245 CC1=CC=NC(C)=C1CO W18063 [0,2,0,0,0,0|1,0,0]=3 1441 B10R1.245 CCC1=C(Br)C=CC=C1Br 86463 [0,2,0,0,0,0|1,0,0]=3 1442 B10R1.245 CNC1=C(Br)C=CC=C1N C71480 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.245 CNC1=C(F)C=CC=C1F C77614 [0,2,0,0,0,0|2,0,0]=4 1444 B10R1.245 COC1=C(Br)C=CC=C1C F52555 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.245 COC1=C(Br)C=CN=C1C A11666 [0,2,0,0,0,0|1,0,0]=3 1446 B10R1.245 COC1=C(Cl)C=CC=C1O 95656 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.245 COC1=C(Cl)C=CN=C1N F51098 [0,2,0,0,0,0|1,0,0]=3 1448 B10R1.245 COC1=C(N)C=CC=C1N A12416 [0,2,0,0,0,0|2,0,0]=4 1449 B10R1.245 COC1=C(N)C=CN=C1Cl F17572 [0,2,0,0,0,0|1,0,0]=3 1450 B10R1.245 ClC1=CC=NC(Cl)=C1CBr 79158 [0,2,0,0,0,0|1,0,0]=3 1451 B10R1.245 N#CC1=C(Br)C=CN=C1Cl C73471 [0,2,0,0,0,0|1,0,1]=4 1452 B10R1.245 N#CC1=C(I)C=CN=C1Cl W11274 [0,2,0,0,0,0|1,0,1]=4 1453 B10R1.245 NC1=CC=CC(Br)=C1CO 90066 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.245 NCC1=C(Br)C=CC=C1Br O10035 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.245 O=CC1=C(Br)C=CN=C1Br C10771 [0,2,0,0,0,0|1,0,1]=4 1456 B10R1.245 O=CC1=C(Br)C=CN=C1Cl 55291 [0,2,0,0,0,0|1,0,1]=4 1457 B10R1.245 O=CC1=C(Cl)C=CN=C1F C71910 [0,2,0,0,0,0|1,0,1]=4 1458 B10R1.245 OCC1=C(I)C=CN=C1F C73295 [0,2,0,0,0,0|1,0,0]=3 1459 B8R1.49 C1=CCCC=CCC1 A11943 [0,0,1,1,0,0|1,0,1]=4 1460 B8R1.49 C1=CCCC=CCC1 C10709 [0,0,1,1,0,0|1,0,1]=4 1461 B8R1.49 C1=CCCC=CCC1 D94664 [0,0,1,1,0,0|1,0,1]=4 1462 B8R1.49 C1=CCCC=CCC1 F16608 [0,0,1,1,0,0|1,0,1]=4 1463 B8R1.49 C1=CCCC=CCC1 F16639 [0,0,1,1,0,0|1,0,1]=4 1464 B8R1.49 C1=CCCC=CCC1 H10532 [0,0,1,1,0,0|1,0,1]=4 1465 B8R1.49 C1=CCCC=CCC1 O11699 [0,0,1,1,0,0|1,0,1]=4 1466 B8R1.49 C1=CCCC=CCC1 S12179 [0,0,1,1,0,0|1,0,1]=4 1467 B8R1.49 C1=CCCC=CCC1 T72889 [0,0,1,1,0,0|1,0,1]=4 1468 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [0,1,0,1,0,0|1,0,0]=3 1469 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [0,1,0,1,0,0|1,0,0]=3 1470 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,1,0,1,0,0|1,0,1]=4 1471 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [0,1,0,1,0,0|0,0,2]=4 1472 B10R2.7 C1=CC2=C(C=N1)C=NN2 CL3489 [0,1,0,1,0,0|1,0,1]=4 1473 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [0,1,0,1,0,0|0,0,0]=2 1474 B10R2.7 C1=CC2=C(C=N1)CNC2 83142 [0,1,0,1,0,0|0,0,0]=2 1475 B10R2.7 C1=CC2=C(C=N1)CNC2 SC3491 [0,1,0,1,0,0|0,0,0]=2 1476 B10R2.7 C1=CC2=C(C=N1)N=CO2 C74415 [0,1,0,1,0,0|1,0,1]=4 1477 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [0,1,0,1,0,0|0,0,0]=2 1478 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [0,1,0,1,0,0|0,0,0]=2 1479 B10R2.7 C1=CC2=C(C=N1)SC=N2 26297 [0,1,0,1,0,0|1,0,1]=4 1480 B10R2.7 C1=CN=C2C=NNC2=C1 20297 [0,1,0,1,0,0|1,0,1]=4 1481 B10R2.7 C1=CN=C2CCNC2=C1 70854 [0,1,0,1,0,0|0,0,0]=2 1482 B10R2.7 C1=CN=C2CNCC2=C1 83068 [0,1,0,1,0,0|0,0,0]=2 1483 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [0,1,0,1,0,0|0,0,0]=2 1484 B10R2.7 C1=CN=C2CNCC2=N1 50637 [0,1,0,1,0,0|1,0,0]=3 1485 B10R2.7 C1=CN=C2N=NNC2=C1 I10125 [0,1,0,1,0,0|2,0,0]=4 1486 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [0,1,0,1,0,0|0,0,2]=4 1487 B10R2.7 C1=CN=C2OC=NC2=C1 32393 [0,1,0,1,0,0|1,0,1]=4 1488 B10R2.7 C1=NC=C2CNCC2=N1 27191 [0,1,0,1,0,0|1,0,0]=3 1489 B10R2.7 C1=NC=C2CNCC2=N1 83076 [0,1,0,1,0,0|1,0,0]=3 1490 B10R2.7 C1=NC=C2CNCC2=N1 SC2921 [0,1,0,1,0,0|1,0,0]=3 1491 B6R1.2 BrC1=NC=CO1 N12756 [1,0,0,0,1,0|2,0,0]=4 1492 B6R1.2 BrC1=NSC=C1 27111 [1,0,0,0,1,0|2,0,0]=4 1493 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,1,0|0,0,1]=3 1494 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,1,0|0,0,1]=3 1495 B6R1.2 CC1=CNN=C1 AT22811 [1,0,0,0,1,0|1,0,0]=3 1496 B6R1.2 CC1=CNN=N1 27289 [1,0,0,0,1,0|2,0,0]=4 1497 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,1,0|1,0,0]=3 1498 B6R1.2 CC1=NNN=C1 D94600 [1,0,0,0,1,0|2,0,0]=4 1499 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,1,0|1,0,0]=3 1500 B6R1.2 CN1C=NN=C1 74688 [1,0,0,0,1,0|2,0,0]=4 1501 B6R1.2 ClC1=NC=CN1 71370 [1,0,0,0,1,0|2,0,0]=4 1502 B6R1.2 FC1=CC=NN1 P13416 [1,0,0,0,1,0|2,0,0]=4 1503 B6R1.2 FC1=CN=CN1 71921 [1,0,0,0,1,0|2,0,0]=4 1504 B6R1.2 FC1=CNN=C1 89373 [1,0,0,0,1,0|2,0,0]=4 1505 B6R1.2 IC1=NC=CO1 38371 [1,0,0,0,1,0|2,0,0]=4 1506 B6R1.2 NC1=CC=NO1 AB9529 [1,0,0,0,1,0|2,0,0]=4 1507 B6R1.2 NC1=CC=NS1 S11666 [1,0,0,0,1,0|2,0,0]=4 1508 B6R1.2 NC1=CN=CS1 52083 [1,0,0,0,1,0|2,0,0]=4 1509 B6R1.2 NC1=CNC=C1 D82737 [1,0,0,0,1,0|1,0,1]=4 1510 B6R1.2 NC1=CNC=N1 21115 [1,0,0,0,1,0|2,0,0]=4 1511 B6R1.2 NC1=CNC=N1 52247 [1,0,0,0,1,0|2,0,0]=4 1512 B6R1.2 NC1=CON=C1 F14139 [1,0,0,0,1,0|2,0,0]=4 1513 B6R1.2 NC1=CSC=C1 D77326 [1,0,0,0,1,0|2,0,0]=4 1514 B6R1.2 NC1=CSN=C1 83206 [1,0,0,0,1,0|2,0,0]=4 1515 B6R1.2 NC1=CSN=C1 85313 [1,0,0,0,1,0|2,0,0]=4 1516 B6R1.2 NN1C=CN=C1 C76661 [1,0,0,0,1,0|2,0,0]=4 1517 B6R1.2 NN1C=CN=C1 Y10352 [1,0,0,0,1,0|2,0,0]=4 1518 B6R1.2 OC1=CNN=C1 76131 [1,0,0,0,1,0|2,0,0]=4 1519 B6R1.2 OC1=NC=CS1 25638 [1,0,0,0,1,0|2,0,0]=4 1520 B6R1.2 OC1=NOC=C1 W15437 [1,0,0,0,1,0|2,0,0]=4 1521 B6R1.2 SC1=CC=CS1 23061 [1,0,0,0,1,0|2,0,0]=4 1522 B6R1.2 SC1=CSC=C1 79297 [1,0,0,0,1,0|2,0,0]=4