0 B8R1.2 BrCC1=NC=CN=C1 31757 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 BrCC1=NC=NC=C1 Y10744 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 BrCC1=NN=CC=C1 27114 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 C#CC1=NC=CN=C1 P11646 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 CCC1=NC=NC=C1 F17281 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 CNC1=CN=CN=C1 Y10181 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.2 CNC1=CN=NC=C1 A10648 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 CNC1=NC=NC=C1 W10133 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 COC1=NC=NC=C1 T72699 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.2 COC1=NCCCC1 D87703 [0,0,0,0,0,0|0,0,4]=4 10 B8R1.2 ClCC1=NC=CN=C1 37060 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 ClCC1=NN=CC=C1 37063 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 N#CC1=NC=CC=C1 D77869 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 N#CC1=NN=CC=C1 82702 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 NCC1=CC=CN=N1 36976 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 NCC1=CC=CN=N1 P15536 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 NCC1=CC=NC=C1 35876 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 NCC1=NC=CN=C1 67569 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.2 NNC1=CC=CN=C1 S12141 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 NNC1=NC=NC=C1 N12626 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 O=CC1=NC=NC=C1 26359 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.2 SCC1=CC=NC=C1 F18336 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.2 SCC1=CN=CC=C1 F18343 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.3 BrC1=NC=NC=C1 54642 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 BrC1=NC=NC=C1 54644 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 CC1=NC=CN=N1 C74235 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 ClC1=CN=CC=C1 P19758 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 ClC1=NN=CC=C1 57588 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 NC1=CC=CC=C1 T70935 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 NC1=CC=CC=C1 T71037 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 SC1=NC=CN=C1 F16108 [1,0,0,0,0,0|1,1,0]=3 35 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.1 BrCC1=NC=C(Br)C=N1 C71638 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.1 C#CC1=NC=C(Br)C=C1 84355 [0,1,0,0,0,0|1,0,1]=3 40 B9R1.1 C#CC1=NC=C(Br)C=N1 84356 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.1 C#CC1=NC=C(Cl)C=C1 84384 [0,1,0,0,0,0|1,0,1]=3 43 B9R1.1 C#CC1=NC=C(Cl)C=C1 N13106 [0,1,0,0,0,0|1,0,1]=3 44 B9R1.1 C#CC1=NC=C(Cl)C=N1 84385 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.1 C#CC1=NC=C(N)C=C1 D83980 [0,1,0,0,0,0|1,0,1]=3 46 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [0,1,0,0,0,0|1,0,1]=3 47 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.1 CC1=CN=C(C#N)N=C1 79424 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 CC1=CN=C(CCl)N=C1 27405 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 CC1=CN=C(CN)N=C1 38455 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 CC1=CN=C(CN)N=C1 72570 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 CC1=CN=C(CN)N=C1 W10072 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 CC1=CN=C(CO)C=N1 26144 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.1 CC1=CN=C(CO)N=C1 38636 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.1 CC1=NN=C(C#N)C=C1 37499 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.1 CCC1=CN=C(N)C=N1 27455 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,1,0,0,0,0|1,0,0]=2 68 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,1,0,0,0,0|1,0,0]=2 70 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.1 CCC1=NC=C(N)C=N1 81903 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.1 CNC1=NC=C(N)C=N1 AT18272 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 CNC1=NN=C(Br)C=C1 C10836 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.1 COC1=CN=C(F)C=C1 98092 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.1 COC1=CN=C(N)N=C1 11206 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.1 COC1=NC=C(I)C=N1 W11580 [0,1,0,0,0,0|1,0,0]=2 84 B9R1.1 COC1=NC=C(N)C=N1 35336 [0,1,0,0,0,0|1,0,0]=2 85 B9R1.1 COC1=NC=C(N)N=C1 24331 [0,1,0,0,0,0|1,0,0]=2 86 B9R1.1 COC1=NC=C(O)C=N1 C16680 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.1 COC1=NN=C(I)C=C1 C15088 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.1 CSC1=NC=C(Cl)C=N1 63237 [0,1,0,0,0,0|1,1,0]=3 89 B9R1.1 CSC1=NC=C(N)C=N1 31929 [0,1,0,0,0,0|1,1,0]=3 90 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.1 ClCC1=NC=C(Cl)C=N1 P16603 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.1 ClCC1=NN=C(Cl)C=C1 C72652 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 ClCC1=NN=C(Cl)C=C1 P10986 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 N#CC1=NC=C(I)C=C1 78743 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.1 N#CC1=NC=C(N)C=N1 37544 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.1 N#CC1=NC=C(O)C=C1 24955 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.1 N#CC1=NC=C(O)C=N1 O11447 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.1 N#CC1=NN=C(F)C=C1 38075 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.1 N#CC1=NN=C(N)C=C1 37344 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.1 NCC1=NC=C(Br)C=N1 C73142 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.1 NCC1=NC=C(Br)C=N1 CS1737 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.1 NCC1=NC=C(Br)C=N1 P15263 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.1 NCC1=NC=C(Cl)C=N1 F31001 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.1 NCC1=NC=C(F)C=N1 P11643 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.1 NCC1=NN=C(Cl)C=C1 C76852 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.1 NNC1=NC=C(F)C=C1 W17746 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.1 O=CC1=NC=C(Cl)C=N1 P10946 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.1 OC1=CN=C(CF)N=C1 72904 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.1 OCC1=NC=C(Cl)C=N1 P10956 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.1 OCC1=NC=C(F)C=N1 P11889 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.1 OCC1=NN=C(Cl)C=C1 P11311 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.2 C#CC1=CC=CC(=O)N1 N11855 [0,1,0,0,0,0|1,0,2]=4 133 B9R1.2 C#CC1=CC=CC(Br)=N1 D82337 [0,1,0,0,0,0|1,0,1]=3 134 B9R1.2 C#CC1=CC=CC(Cl)=N1 AT12436 [0,1,0,0,0,0|1,0,1]=3 135 B9R1.2 C#CC1=CC=CC(F)=N1 C71915 [0,1,0,0,0,0|1,0,1]=3 136 B9R1.2 C#CC1=CC=NC(N)=N1 39138 [0,1,0,0,0,0|2,0,1]=4 137 B9R1.2 C#CC1=NC=CC(N)=C1 72871 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.2 C#CC1=NC=CC(N)=C1 C76101 [0,1,0,0,0,0|1,0,1]=3 139 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [0,1,0,0,0,0|1,0,1]=3 141 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,1,0,0,0,0|1,0,1]=3 142 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [0,1,0,0,0,0|1,0,1]=3 143 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [0,1,0,0,0,0|1,0,1]=3 144 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [0,1,0,0,0,0|1,0,1]=3 145 B9R1.2 CC1=CC(C#N)=NN=C1 P12502 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.2 CC1=CC(CCl)=NC=N1 F30459 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.2 CC1=CC(CO)=NC=N1 38642 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.2 CC1=CC=NC(C#N)=N1 20318 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.2 CC1=CC=NC(CN)=N1 72797 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.2 CNC1=CC=NC(Br)=N1 D80192 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.2 CNC1=NC(C)=CN=C1 74811 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.2 CNC1=NC=CC(Cl)=N1 24763 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.2 CNC1=NC=CC(N)=C1 27435 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.2 COC1=CC(Br)=NC=N1 C76202 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.2 COC1=CC(Cl)=CN=N1 E70128 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.2 COC1=CC(F)=NC=N1 D83389 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.2 COC1=NC(N)=CN=C1 24364 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.2 COC1=NC=CC(Br)=N1 25350 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.2 COC1=NC=NC(C)=C1 H10028 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.2 COC1=NC=NC(Cl)=N1 C71416 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.2 CSC1=CC(Br)=NC=N1 C71732 [0,1,0,0,0,0|1,1,0]=3 188 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [0,1,0,0,0,0|1,1,0]=3 189 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,1,0,0,0,0|1,1,0]=3 190 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [0,1,0,0,0,0|0,1,0]=2 191 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [0,1,0,0,0,0|0,1,0]=2 192 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [0,1,0,0,0,0|1,1,0]=3 193 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.2 ClCC1=CC=NC(Cl)=N1 P10955 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.2 ClCC1=NC=CC(Cl)=N1 F19722 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.2 N#CC1=CC=CC(=O)N1 P11008 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.2 N#CC1=CC=NC(Br)=N1 C71733 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.2 N#CC1=CN=CC(Br)=N1 26949 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.2 N#CC1=NC(N)=CC=N1 CS1383 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.2 N#CC1=NC(N)=CN=C1 24341 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.2 N#CC1=NC(N)=NC=C1 26573 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.2 N#CC1=NC=CC(Cl)=N1 71853 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.2 N#CC1=NC=CC(O)=C1 C75263 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.2 N#[N+]C1=CC=CC(Br)=C1 98381 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.2 NC1=CC=CC(CF)=C1 32172 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.2 NC1=CC=NC(CCl)=N1 Y10182 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.2 NCC1=CC=CC(=O)N1 78897 [0,1,0,0,0,0|2,0,1]=4 216 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [0,1,0,0,0,0|2,0,1]=4 227 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.2 OCC1=CC(Cl)=NC=N1 59934 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.2 OCC1=CC=NC(Cl)=N1 F53087 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,1,0,0,0,0|2,0,0]=3 235 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,1,0,0,0,0|2,0,0]=3 236 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,1,0,0,0,0|1,0,0]=2 237 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,1,0,0,0,0|1,0,0]=2 239 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,1,0,0,0,0|0,1,0]=2 259 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.6 N=C(N)C1=NC=CC=N1 D74674 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,1,0,0,0,0|1,1,0]=3 266 B9R1.6 OB(O)C1=NC=NC=C1 29744 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [0,1,0,0,0,0|2,0,1]=4 268 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.8 CNCC1=NC=CC=N1 W11490 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.8 N#CCC1=NC=CC=N1 37061 [0,1,0,0,0,0|2,0,1]=4 274 B9R1.8 N#CCC1=NC=CN=C1 50051 [0,1,0,0,0,0|2,0,1]=4 275 B9R1.8 NCCC1=NC=CC=N1 P15951 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.8 NCCC1=NC=CN=C1 AR1061 [0,1,0,0,0,0|2,0,0]=3 277 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,1,0,0,0,0|2,0,0]=3 278 B9R1.8 NNCC1=NC=CC=C1 78929 [0,1,0,0,0,0|2,0,0]=3 279 B9R1.8 NNCC1=NC=CN=C1 37235 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.8 NOCC1=CN=CC=C1 AC6038 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,1,0,0,0,0|2,0,0]=3 283 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [0,1,0,0,0,0|2,0,1]=4 285 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [0,1,0,0,0,0|2,0,0]=3 286 B9R1.15 C#CC1=C(F)C=CC=N1 F21381 [0,1,0,0,0,0|1,0,1]=3 287 B9R1.15 C#CC1=NC=CN=C1C 79091 [0,1,0,0,0,0|2,0,1]=4 288 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [0,1,0,0,0,0|2,0,1]=4 289 B9R1.15 CC1=CC=CN=C1CN C72913 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.15 CC1=NC=CN=C1C=O 30985 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.15 CC1=NC=CN=C1CCl P11784 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.15 CC1=NC=CN=C1CN E70300 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.15 CC1=NC=CN=C1CN P19746 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.15 CC1=NC=CN=C1CO P10784 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.15 CC1=NC=CN=C1NN BL010270 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [0,1,0,0,0,0|1,0,0]=2 297 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,1,0,0,0,0|1,0,0]=2 300 B9R1.15 CCC1=CC=CN=C1Br D80252 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.15 CCC1=CC=CN=C1N 55791 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.15 CCC1=NC=CN=C1N RB3385 [0,1,0,0,0,0|2,0,0]=3 303 B9R1.15 CCC1=NC=CNC1=O S12194 [0,1,0,0,0,0|2,0,0]=3 304 B9R1.15 CNC1=C(Br)C=NC=N1 27470 [0,1,0,0,0,0|2,0,0]=3 305 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.15 CNC1=C(I)C=NC=C1 D83398 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.15 CNC1=CC=CN=C1N 94808 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.15 CNC1=NC=CC=C1N 72351 [0,1,0,0,0,0|1,0,0]=2 311 B9R1.15 CNC1=NC=CN=C1N 25161 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.15 COC1=C(Br)C=CN=C1 26564 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.15 COC1=C(Br)C=NC=N1 H10144 [0,1,0,0,0,0|1,0,0]=2 314 B9R1.15 COC1=C(I)C=CN=C1 D82954 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.15 COC1=C(I)C=NC=N1 C74109 [0,1,0,0,0,0|1,0,0]=2 316 B9R1.15 COC1=C(N)C=CN=C1 35474 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.15 COC1=C(O)C=NC=C1 79066 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.15 COC1=CNC=NC1=O H10327 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.15 COC1=NC=CC=C1C C73664 [0,1,0,0,0,0|0,0,0]=1 320 B9R1.15 COC1=NC=CN=C1Br 27717 [0,1,0,0,0,0|1,0,0]=2 321 B9R1.15 COC1=NC=NC=C1N 24306 [0,1,0,0,0,0|1,0,0]=2 322 B9R1.15 COC1=NC=NC=C1N 36696 [0,1,0,0,0,0|1,0,0]=2 323 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [0,1,0,0,0,0|2,1,0]=4 324 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [0,1,0,0,0,0|2,1,0]=4 325 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [0,1,0,0,0,0|2,0,0]=3 326 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [0,1,0,0,0,0|2,0,0]=3 327 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [0,1,0,0,0,0|2,0,0]=3 328 B9R1.15 FC1=CC=CN=C1CBr 38126 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.15 FC1=CC=CN=C1CCl AC1446 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.15 N#CC1=C(Br)C=NC=N1 37336 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.15 N#CC1=C(I)C=CC=N1 CL0132 [0,1,0,0,0,0|2,0,0]=3 332 B9R1.15 NC1=CC=CN=C1C=O 80155 [0,1,0,0,0,0|2,0,0]=3 333 B9R1.15 NC1=CC=CN=C1CO H10562 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.15 NC1=NC=CN=C1C=O 27460 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [0,1,0,0,0,0|2,0,0]=3 337 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [0,1,0,0,0,0|2,0,0]=3 338 B9R1.15 NCC1=C(F)C=CC=N1 37501 [0,1,0,0,0,0|2,0,0]=3 339 B9R1.15 NCC1=C(F)C=CC=N1 71993 [0,1,0,0,0,0|2,0,0]=3 340 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [0,1,0,0,0,0|2,0,0]=3 341 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.15 NCC1=NC=CC=C1N AC4283 [0,1,0,0,0,0|2,0,0]=3 343 B9R1.15 NCC1=NC=CN=C1N AB3037 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.15 NNC1=C(Cl)C=NC=N1 D72722 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.15 NNC1=C(F)C=CC=N1 F20903 [0,1,0,0,0,0|2,0,0]=3 346 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.15 O=CC1=NC=CN=C1Br P14054 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.15 OCC1=NC=CN=C1Cl 80497 [0,1,0,0,0,0|3,0,0]=4 351 B7R0.3 C=CCCC(=O)OC AT23749 [0,0,1,0,0,0|1,0,2]=4 352 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,0,1,0,0,0|2,0,1]=4 353 B7R0.3 COC(=O)\C=C\CN AT20770 [0,0,1,0,0,0|2,0,1]=4 354 B7R1.1 BrCC1=COC=N1 70925 [0,0,0,0,1,0|3,0,0]=4 355 B7R1.1 BrCC1=CSC=N1 73558 [0,0,0,0,1,0|3,0,0]=4 356 B7R1.1 BrCC1=NC=CO1 92941 [0,0,0,0,1,0|3,0,0]=4 357 B7R1.1 BrCC1=NC=CS1 73557 [0,0,0,0,1,0|3,0,0]=4 358 B7R1.1 BrCC1=NOC=C1 71749 [0,0,0,0,1,0|3,0,0]=4 359 B7R1.1 C=CC1=CC=CS1 C10114 [0,0,0,0,1,0|2,0,1]=4 360 B7R1.1 C=CC1=NNC=C1 P13173 [0,0,0,0,1,0|2,0,1]=4 361 B7R1.1 CCC1=CNN=C1 72604 [0,0,0,0,1,0|3,0,0]=4 362 B7R1.1 CCC1=NN=CO1 C10407 [0,0,0,0,1,0|3,0,0]=4 363 B7R1.1 CCN1C=NC=N1 29522 [0,0,0,0,1,0|3,0,0]=4 364 B7R1.1 CNC1=NC=CO1 71780 [0,0,0,0,1,0|2,0,0]=3 365 B7R1.1 CNC1=NC=CS1 26158 [0,0,0,0,1,0|2,0,0]=3 366 B7R1.1 CNC1=NNC=C1 72540 [0,0,0,0,1,0|2,0,0]=3 367 B7R1.1 CNC1=NOC=C1 72015 [0,0,0,0,1,0|2,0,0]=3 368 B7R1.1 CNC1=NOC=C1 72539 [0,0,0,0,1,0|2,0,0]=3 369 B7R1.1 COC1=CCCC1 D93350 [0,0,0,0,1,0|0,0,3]=4 370 B7R1.1 COC1=CNN=C1 79311 [0,0,0,0,1,0|2,0,0]=3 371 B7R1.1 COC1=NNC=C1 D79536 [0,0,0,0,1,0|1,0,0]=2 372 B7R1.1 CSC1=CN=CN1 W17049 [0,0,0,0,1,0|1,1,1]=4 373 B7R1.1 CSC1=CNN=C1 W10958 [0,0,0,0,1,0|2,1,0]=4 374 B7R1.1 CSC1=NC=CN1 AC1458 [0,0,0,0,1,0|1,1,0]=3 375 B7R1.1 CSC1=NC=CO1 O10533 [0,0,0,0,1,0|1,1,0]=3 376 B7R1.1 ClCC1=CC=CS1 79790 [0,0,0,0,1,0|3,0,0]=4 377 B7R1.1 ClCC1=COC=N1 D97597 [0,0,0,0,1,0|3,0,0]=4 378 B7R1.1 ClCC1=NC=CS1 BL005472 [0,0,0,0,1,0|3,0,0]=4 379 B7R1.1 ClCC1=NOC=C1 F13567 [0,0,0,0,1,0|3,0,0]=4 380 B7R1.1 N#CC1=COC=N1 28409 [0,0,0,0,1,0|3,0,0]=4 381 B7R1.1 N#CC1=NC=CO1 57346 [0,0,0,0,1,0|3,0,0]=4 382 B7R1.1 NCC1=CC=CN1 25931 [0,0,0,0,1,0|2,0,1]=4 383 B7R1.1 NCC1=CNC=C1 F12967 [0,0,0,0,1,0|3,0,0]=4 384 B7R1.1 NCC1=CNC=N1 26566 [0,0,0,0,1,0|3,0,0]=4 385 B7R1.1 NCC1=COC=N1 25090 [0,0,0,0,1,0|3,0,0]=4 386 B7R1.1 NCC1=CSC=N1 24147 [0,0,0,0,1,0|3,0,0]=4 387 B7R1.1 NCC1=CSC=N1 Y14444 [0,0,0,0,1,0|3,0,0]=4 388 B7R1.1 NCC1=NC=CN1 C72548 [0,0,0,0,1,0|3,0,0]=4 389 B7R1.1 NCC1=NNC=C1 36190 [0,0,0,0,1,0|3,0,0]=4 390 B7R1.1 NCC1=NOC=C1 W10075 [0,0,0,0,1,0|3,0,0]=4 391 B7R1.1 NNC1=NC=CS1 C74550 [0,0,0,0,1,0|3,0,0]=4 392 B7R1.1 O=CC1=CC=C[Se]1 T72165 [0,0,0,0,1,0|3,0,0]=4 393 B7R1.1 O=CC1=CCC=C1 77835 [0,0,0,0,1,0|2,0,1]=4 394 B7R1.1 O=CC1=NOC=C1 P10400 [0,0,0,0,1,0|3,0,0]=4 395 B6R0.1 C=C=CC(=O)OC F20885 [1,0,1,0,0,0|1,0,1]=4 396 B6R0.1 COC(=O)\C=C\I C10406 [1,0,1,0,0,0|2,0,0]=4 397 B6R1.1 C1=CC=CC=C1 78158 [2,0,0,0,0,0|1,0,0]=3 398 B6R1.1 C1=CC=NC=C1 T72767 [2,0,0,0,0,0|0,0,0]=2 399 B6R1.1 C1=CN=NC=C1 C75894 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.3 BrC1=NC=C(I)C=N1 55463 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.3 CC1=CC=C(C)N=N1 S11370 [1,1,0,0,0,0|1,0,0]=3 402 B8R1.3 CC1=CN=C(Br)C=N1 88781 [1,1,0,0,0,0|1,0,0]=3 403 B8R1.3 CC1=CN=C(F)N=C1 F11686 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.3 CC1=CN=C(I)C=N1 W17940 [1,1,0,0,0,0|1,0,0]=3 405 B8R1.3 CC1=CN=C(N)C=N1 52044 [1,1,0,0,0,0|1,0,0]=3 406 B8R1.3 CC1=CN=C(N)N=C1 51196 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.3 CC1=CN=C(O)C=N1 84954 [1,1,0,0,0,0|1,0,0]=3 408 B8R1.3 CC1=NC=C(F)C=N1 O11437 [1,1,0,0,0,0|1,0,0]=3 409 B8R1.3 CC1=NC=C(I)C=C1 C10582 [1,1,0,0,0,0|0,0,0]=2 410 B8R1.3 CC1=NC=C(O)C=N1 25911 [1,1,0,0,0,0|1,0,0]=3 411 B8R1.3 FC1=CN=C(Br)C=N1 Y10496 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.3 FC1=NC=C(I)C=N1 O10782 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.3 FC1=NN=C(Br)C=C1 C72413 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.3 IC1=CN=C(I)C=N1 I11480 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.3 NC1=CC=C(O)C=C1 C75965 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.3 NC1=CN=C(Br)N=C1 26764 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.3 NC1=CN=C(I)N=C1 P19402 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.3 NC1=CN=C(N)C=N1 C14950 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.3 NC1=CN=C(N)C=N1 F20076 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [1,1,0,0,0,0|1,0,0]=3 421 B8R1.3 NC1=NC=C(O)C=N1 24754 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.3 NC1=NN=C(F)C=C1 C71319 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.3 NC1=NNC(=O)C=C1 A11691 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.3 OC1=NC=C(F)C=N1 61070 [1,1,0,0,0,0|1,0,0]=3 425 B8R1.3 SC1=CC=C(I)C=C1 F20637 [1,1,0,0,0,0|1,1,0]=4 426 B8R1.4 BrC1=CC(Br)=NN=C1 26403 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.4 BrC1=NC=CC(I)=N1 81854 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.4 CC1=CC(=S)NC=C1 I11274 [1,1,0,0,0,0|0,1,1]=4 429 B8R1.4 CC1=CC(=S)NC=N1 C75430 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.4 CC1=CC=CC(I)=N1 S10876 [1,1,0,0,0,0|0,0,0]=2 431 B8R1.4 CC1=NC=CC(I)=C1 25628 [1,1,0,0,0,0|0,0,0]=2 432 B8R1.4 CC1=NC=CC(N)=N1 25050 [1,1,0,0,0,0|1,0,0]=3 433 B8R1.4 ClC1=CC(Br)=CN=N1 P15413 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.4 ClC1=CC(I)=NC=C1 O11208 [1,1,0,0,0,0|1,0,0]=3 435 B8R1.4 ClC1=CN=CC(I)=N1 N11783 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.4 ClC1=NC=CC(I)=N1 F50757 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.4 FC1=CN=CC(Br)=N1 D82262 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.4 IC1=CC(I)=NC=N1 N10410 [1,1,0,0,0,0|2,0,0]=4 439 B8R1.4 NC1=CC(Cl)=NN=C1 26681 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.4 NC1=CC(I)=NC=N1 27194 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.4 NC1=CC(N)=NC=C1 25421 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.4 NC1=CC(O)=CN=C1 24928 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.4 NC1=CC(O)=CN=C1 26279 [1,1,0,0,0,0|2,0,0]=4 444 B8R1.4 NC1=CC=CC(I)=N1 76368 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.4 NC1=CC=NC(F)=N1 90479 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.4 NC1=CN=CC(N)=N1 30602 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [1,1,0,0,0,0|1,0,1]=4 448 B8R1.4 O=C1N=C(Br)C=CN1 D96558 [1,1,0,0,0,0|1,0,1]=4 449 B8R1.4 OC1=CC(F)=NC=C1 26765 [1,1,0,0,0,0|1,0,0]=3 450 B8R1.4 OC1=CC=NC(Cl)=N1 29860 [1,1,0,0,0,0|1,0,0]=3 451 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [1,1,0,0,0,0|1,0,0]=3 452 B8R1.4 OC1=NC(S)=NN=C1 C75942 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.4 OC1=NC=CC(Cl)=N1 78049 [1,1,0,0,0,0|1,0,0]=3 454 B8R1.4 OC1=NC=CC(F)=C1 22624 [1,1,0,0,0,0|0,0,0]=2 455 B8R1.5 CC1=C(Cl)C=NC=N1 F17326 [1,1,0,0,0,0|1,0,0]=3 456 B8R1.5 CC1=C(F)C=CN=C1 F19730 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.5 CC1=C(I)C=CC=N1 F19761 [1,1,0,0,0,0|0,0,0]=2 458 B8R1.5 CC1=C(I)C=NC=C1 C74973 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.5 CC1=C(I)C=NC=N1 27820 [1,1,0,0,0,0|1,0,0]=3 460 B8R1.5 CC1=CC=NN=C1Br N13316 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.5 CC1=CC=NN=C1Cl 38744 [1,1,0,0,0,0|2,0,0]=4 462 B8R1.5 CC1=CN=CN=C1Br 27819 [1,1,0,0,0,0|2,0,0]=4 463 B8R1.5 CC1=CN=CN=C1O 25833 [1,1,0,0,0,0|1,0,0]=3 464 B8R1.5 CC1=NC=CN=C1Br 26975 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.5 CC1=NC=NC=C1N 25415 [1,1,0,0,0,0|1,0,0]=3 466 B8R1.5 CC1=NNC=NC1=O D79535 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.5 ClC1=CC=CN=C1I 68801 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.5 ClC1=CC=NN=C1Cl 27407 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.5 ClC1=CN=CN=C1Cl 25142 [1,1,0,0,0,0|2,0,0]=4 470 B8R1.5 ClC1=NC=CN=C1Br C71707 [1,1,0,0,0,0|2,0,0]=4 471 B8R1.5 ClC1=NC=CN=C1I AC1564 [1,1,0,0,0,0|2,0,0]=4 472 B8R1.5 FC1=CN=CN=C1Br 77431 [1,1,0,0,0,0|2,0,0]=4 473 B8R1.5 FC1=NC=CN=C1Br W17938 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.5 NC1=C(Cl)C=NC=N1 26794 [1,1,0,0,0,0|2,0,0]=4 475 B8R1.5 NC1=C(O)C=CN=N1 D83804 [1,1,0,0,0,0|2,0,0]=4 476 B8R1.5 NC1=CC=CN=C1I RB1070 [1,1,0,0,0,0|1,0,0]=3 477 B8R1.5 NC1=CC=NN=C1Cl 27714 [1,1,0,0,0,0|2,0,0]=4 478 B8R1.5 NC1=CN=CN=C1I C10176 [1,1,0,0,0,0|2,0,0]=4 479 B8R1.5 NC1=CN=CN=C1N 65496 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.5 NC1=NC=CN=C1Br 27472 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.5 NC1=NC=CN=C1I 27241 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.5 NC1=[N+]([O-])C=CC=C1 T70263 [1,1,0,0,0,0|1,0,1]=4 483 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [1,1,0,0,0,0|0,0,0]=2 484 B8R1.5 OC1=C(I)C=CN=C1 25190 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.5 OC1=C(I)C=NC=N1 25919 [1,1,0,0,0,0|1,0,0]=3 486 B8R1.5 OC1=C(O)C=NC=C1 C14003 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.5 OC1=NC=CN=C1Br A11981 [1,1,0,0,0,0|1,0,0]=3 488 B8R1.5 OC1=NC=CN=C1O C74124 [1,1,0,0,0,0|1,0,0]=3 489 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,1,0,0,1,0|2,0,0]=4 490 B8R1.1 CCN1C=C(O)C=N1 AT11883 [0,1,0,0,1,0|2,0,0]=4 491 B8R1.1 CNC1=NC(Br)=CS1 A11743 [0,1,0,0,1,0|2,0,0]=4 492 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,1,0,0,1,0|2,0,0]=4 493 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,0,1,0|0,0,2]=4 494 B8R1.1 COC1=NC=C(Br)S1 78090 [0,1,0,0,1,0|1,0,0]=3 495 B8R1.1 COC1=NN=C(N)S1 F20582 [0,1,0,0,1,0|2,0,0]=4 496 B8R1.1 COC1=NN=C(O)S1 Y10758 [0,1,0,0,1,0|2,0,0]=4 497 B8R1.1 COC1=NOC(N)=C1 D82563 [0,1,0,0,1,0|1,0,0]=3 498 B8R1.1 CSC1=NNC(N)=C1 75644 [0,1,0,0,1,0|1,1,0]=4 499 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,1,0,0,1,0|2,0,0]=4 500 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,1,0,0,1,0|2,0,0]=4 501 B8R1.7 CC(C)C1=CC=CO1 81450 [0,1,0,0,1,0|2,0,0]=4 502 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,1,0,0,1,0|2,0,0]=4 503 B8R1.7 CN(C)C1=NC=CS1 N10099 [0,1,0,0,1,0|2,0,0]=4 504 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,1,0,0,1,0|2,0,0]=4 505 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,1,0,0,1,0|2,0,0]=4 506 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,1,0,0,1,0|2,0,0]=4 507 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,1,0,0,1,0|2,0,0]=4 508 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,1,0,0,1,0|2,0,0]=4 509 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,1,0,0,1,0|2,0,0]=4 510 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,1,0,0,1,0|2,0,0]=4 511 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,1,0,0,1,0|2,0,0]=4 512 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,1,0,0,1,0|2,0,0]=4 513 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,1,0,0,1,0|2,0,0]=4 514 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,1,0,0,1,0|2,0,0]=4 515 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,1,0,0,1,0|2,0,0]=4 516 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,1,0,0,1,0|2,0,0]=4 517 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,1,0,0,1,0|2,0,0]=4 518 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,1,0,0,1,0|2,0,0]=4 519 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,1,0,0,1,0|2,0,0]=4 520 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,1,0,0,1,0|2,0,0]=4 521 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,1,0,0,1,0|2,0,0]=4 522 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,1,0,0,1,0|2,0,0]=4 523 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,1,0,0,1,0|2,0,0]=4 524 B8R1.8 BrCCC1=CSC=C1 F20032 [0,1,0,0,1,0|2,0,0]=4 525 B8R1.8 BrCCN1C=CC=N1 71462 [0,1,0,0,1,0|2,0,0]=4 526 B8R1.8 CCCC1=NNC=C1 C16284 [0,1,0,0,1,0|2,0,0]=4 527 B8R1.8 CCOC1=NNC=C1 AT14799 [0,1,0,0,1,0|1,0,0]=3 528 B8R1.8 CNCC1=CNC=N1 AT15460 [0,1,0,0,1,0|2,0,0]=4 529 B8R1.8 CNCC1=COC=C1 AC5678 [0,1,0,0,1,0|2,0,0]=4 530 B8R1.8 CNCC1=NNC=C1 33350 [0,1,0,0,1,0|2,0,0]=4 531 B8R1.8 COCC1=CN=CN1 AC8003 [0,1,0,0,1,0|1,0,1]=4 532 B8R1.8 COCC1=CNN=C1 P18875 [0,1,0,0,1,0|2,0,0]=4 533 B8R1.8 NCCC1=CC=CN1 31556 [0,1,0,0,1,0|1,0,1]=4 534 B8R1.8 NCCC1=CC=CN1 F10331 [0,1,0,0,1,0|1,0,1]=4 535 B8R1.8 NCCC1=CSC=C1 P10092 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.8 NCCC1=NC=CN1 F18351 [0,1,0,0,1,0|2,0,0]=4 537 B8R1.8 NCCC1=NC=CS1 70863 [0,1,0,0,1,0|2,0,0]=4 538 B8R1.8 NCCC1=NNC=C1 AC1362 [0,1,0,0,1,0|2,0,0]=4 539 B8R1.8 NCCN1C=CC=N1 28356 [0,1,0,0,1,0|2,0,0]=4 540 B8R1.8 OCCC1=CC=CN1 AB10351 [0,1,0,0,1,0|1,0,1]=4 541 B8R1.8 OCCC1=CC=CO1 W10532 [0,1,0,0,1,0|2,0,0]=4 542 B8R1.8 OCCC1=COC=C1 D93026 [0,1,0,0,1,0|2,0,0]=4 543 B8R1.8 OCCC1=NNC=C1 22974 [0,1,0,0,1,0|2,0,0]=4 544 B8R1.11 CCC1=NNC=C1Br 98406 [0,1,0,0,1,0|2,0,0]=4 545 B8R1.11 COC1=NNC=C1I F16206 [0,1,0,0,1,0|1,0,0]=3 546 B8R1.11 COC1=NON=C1N F20171 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.1 CC1=CN=C(CC#N)C=C1 C74949 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.1 CCOC1=CN=C(Br)C=N1 52691 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [0,2,0,0,0,0|0,0,0]=2 552 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [0,2,0,0,0,0|1,1,0]=4 553 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.1 COCC1=CC=C(O)C=C1 63646 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.1 COCC1=NC=C(Br)C=N1 P14919 [0,2,0,0,0,0|1,0,0]=3 556 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [0,2,0,0,0,0|1,1,0]=4 557 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [0,2,0,0,0,0|1,1,0]=4 558 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [0,2,0,0,0,0|1,1,0]=4 559 B10R1.1 N#CCC1=NC=C(N)C=C1 W17291 [0,2,0,0,0,0|1,0,1]=4 560 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.1 ON=CC1=NC=C(Br)C=C1 D81492 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.3 C#CC1=CN=C(C#C)C=C1 T70234 [0,2,0,0,0,0|1,0,1]=4 565 B10R1.3 C#CC1=CN=C(C=O)C=C1 51748 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.3 C#CC1=CN=C(CO)C=C1 AC2758 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.3 C#CC1=CN=C(OC)N=C1 AB10272 [0,2,0,0,0,0|1,0,0]=3 568 B10R1.3 C#CC1=NC=C(OC)C=C1 D84302 [0,2,0,0,0,0|1,0,1]=4 569 B10R1.3 C=CC1=CN=C(C#N)C=C1 79121 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.3 CNC1=CN=C(C#N)C=C1 O11307 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.3 CNC1=NC=C(C#N)C=C1 88567 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [0,2,0,0,0,0|1,0,0]=3 576 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.3 COC1=CN=C(CCl)C=N1 F30446 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [0,2,0,0,0,0|0,0,0]=2 581 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [0,2,0,0,0,0|0,0,0]=2 582 B10R1.3 COC1=NC=C(CN)C=N1 P10610 [0,2,0,0,0,0|1,0,0]=3 583 B10R1.3 COC1=NC=C(CO)C=N1 P11192 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.3 COC1=NC=C(CO)N=C1 F30445 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.3 COC1=NC=C(NN)C=C1 F13050 [0,2,0,0,0,0|0,0,0]=2 586 B10R1.3 COC1=NN=C(CO)C=C1 P11745 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.3 COC1=NN=C(OC)C=C1 C75238 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [0,2,0,0,0,0|1,1,0]=4 589 B10R1.3 CSC1=CN=C(SC)N=C1 W16219 [0,2,0,0,0,0|1,1,0]=4 590 B10R1.3 CSC1=NC=C(C#N)C=N1 C74953 [0,2,0,0,0,0|1,1,0]=4 591 B10R1.3 CSC1=NC=C(C=O)C=N1 P10273 [0,2,0,0,0,0|1,1,0]=4 592 B10R1.3 CSC1=NC=C(CO)C=N1 S10007 [0,2,0,0,0,0|1,1,0]=4 593 B10R1.3 N#CC1=CN=C(C#N)C=C1 AB11965 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.3 N#CC1=CN=C(C=O)C=C1 26613 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.3 N#CC1=CN=C(CCl)C=C1 P11633 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.3 N#CC1=CN=C(CN)C=C1 P16132 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.3 N#CC1=CN=C(CN)C=C1 W18493 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.3 N#CC1=CN=C(CO)C=C1 36548 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.3 N#CC1=NC=C(CCl)C=C1 C71847 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.3 N#CC1=NC=C(CN)C=C1 AB1091 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.3 O=CC1=CN=C(C=O)C=C1 D80964 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.13 CC(C)C1=NN=C(Br)C=C1 Y11125 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,2,0,0,0,0|1,1,0]=4 621 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,2,0,0,0,0|1,0,0]=3 625 B10R1.13 CN(C)C1=NC=C(N)C=N1 C10726 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.13 CN(C)C1=NN=C(Br)C=C1 A12070 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 S10309 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,2,0,0,0,0|1,0,0]=3 641 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,2,0,0,0,0|1,0,0]=3 642 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,2,0,0,0,0|1,0,0]=3 643 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,2,0,0,0,0|1,0,0]=3 644 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,2,0,0,0,0|1,0,0]=3 645 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,2,0,0,0,0|1,0,0]=3 647 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,2,0,0,0,0|1,0,0]=3 648 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,2,0,0,0,0|1,0,0]=3 649 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,2,0,0,0,0|1,0,0]=3 650 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,2,0,0,0,0|1,0,0]=3 651 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91193 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Y10520 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.13 C[C@H](O)C1=NC=C(F)C=N1 F52098 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 W17842 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.13 C[S@](=O)C1=NC=C(Br)C=N1 O11358 [0,2,0,0,0,0|1,1,0]=4 664 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 37719 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.13 N=C(N)C1=NC=C(F)C=C1 38084 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.13 NC1=CN=C(C(F)F)C=C1 O11506 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.13 NC1=CN=C(C(F)F)C=C1 W11082 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.13 NC1=CN=C([N+](=O)[O-])C=C1 26771 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.13 OB(O)C1=NC=C(Br)C=C1 57235 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.13 OB(O)C1=NC=C(F)C=C1 F16224 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.13 OC1=CN=C(C(F)F)C=C1 D92853 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.25 C#CC1=C(F)C=C(C)C=N1 D79797 [0,2,0,0,0,0|1,0,1]=4 675 B10R1.25 C#CC1=NC=C(F)C=C1C D79796 [0,2,0,0,0,0|1,0,1]=4 676 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 D96976 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.25 CC1=CC(Br)=C(CN)N=C1 24111 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.25 CC1=CC(Br)=C(CO)N=C1 D96975 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.25 CC1=CC(Br)=CN=C1CCl 79673 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.25 CC1=CC(Br)=CN=C1CN 24121 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.25 CC1=CC(Cl)=CN=C1CN 24127 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.25 CC1=CC(O)=CN=C1C#N 26385 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.25 CC1=CN=C(CN)C(C)=C1 D83303 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.25 CCC1=NC=C(Br)C=C1N 38360 [0,2,0,0,0,0|1,0,0]=3 692 B10R1.25 CCC1=NC=C(Cl)N=C1Cl C72268 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.25 CNC1=C(Br)C=C(F)C=C1 71883 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.25 CNC1=C(C)C=C(O)C=C1 C16321 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.25 CNC1=NC=C(Br)C=C1N C77013 [0,2,0,0,0,0|1,0,0]=3 696 B10R1.25 COC1=C(Br)C=C(Cl)N=C1 S10226 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [0,2,0,0,0,0|1,0,0]=3 698 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [0,2,0,0,0,0|0,0,0]=2 700 B10R1.25 COC1=C(Cl)C=C(I)C=C1 F15482 [0,2,0,0,0,0|1,0,0]=3 701 B10R1.25 COC1=C(Cl)C=C(N)N=C1 37736 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.25 COC1=C(Cl)N=C(I)C=C1 72074 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.25 COC1=C(F)C=C(N)C=N1 27254 [0,2,0,0,0,0|0,0,0]=2 704 B10R1.25 COC1=C(F)N=C(Br)C=C1 CS1206 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.25 COC1=C(I)C=C(Br)C=N1 C75707 [0,2,0,0,0,0|0,0,0]=2 706 B10R1.25 COC1=C(I)C=C(Cl)N=C1 S10146 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.25 COC1=C(I)C=C(Cl)N=N1 S11536 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.25 COC1=C(N)N=C(Cl)C=N1 C91504 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.25 COC1=C(N)N=C(F)C=C1 D70935 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.25 COC1=CC=C(Br)N=C1Br 79976 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [0,2,0,0,0,0|2,0,0]=4 713 B10R1.25 COC1=CC=C(C)N=C1I F30133 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.25 COC1=CC=C(Cl)N=C1Br C72025 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.25 COC1=CC=C(Cl)N=C1Cl 81824 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.25 COC1=CC=C(Cl)N=C1I 82334 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.25 COC1=CC=C(N)N=C1Cl F19661 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.25 COC1=CN=C(Br)C=C1Cl F16734 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.25 COC1=CN=C(Br)C=C1N AC1554 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.25 COC1=CN=C(Br)C=C1O AT23971 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.25 COC1=CN=C(Cl)C=C1N C71879 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.25 COC1=CNC(=O)C=C1Br W15670 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.25 COC1=NC=C(Cl)C=C1N E70381 [0,2,0,0,0,0|0,0,0]=2 724 B10R1.25 COC1=NC=C(Cl)N=C1Cl W12644 [0,2,0,0,0,0|1,0,0]=3 725 B10R1.25 COC1=NC=C(F)C=C1C C76918 [0,2,0,0,0,0|0,0,0]=2 726 B10R1.25 COC1=NC=C(F)C=C1N C71761 [0,2,0,0,0,0|0,0,0]=2 727 B10R1.25 COC1=NC=C(F)C=C1O S10276 [0,2,0,0,0,0|0,0,0]=2 728 B10R1.25 COC1=NN=C(Cl)C=C1C C77016 [0,2,0,0,0,0|1,0,0]=3 729 B10R1.25 COC1=NN=C(Cl)C=C1N P10109 [0,2,0,0,0,0|1,0,0]=3 730 B10R1.25 CSC1=C(Br)C=C(F)C=C1 69928 [0,2,0,0,0,0|1,1,0]=4 731 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 Y11168 [0,2,0,0,0,0|1,1,0]=4 732 B10R1.25 CSC1=C(F)C=C(N)C=C1 94984 [0,2,0,0,0,0|1,1,0]=4 733 B10R1.25 CSC1=NC=C(Cl)N=C1Cl 38290 [0,2,0,0,0,0|1,1,0]=4 734 B10R1.25 FC1=CC(Br)=CN=C1CCl 52169 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.25 FC1=CC(Cl)=C(CCl)N=C1 BL010215 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.25 FC1=CC(Cl)=CN=C1CCl BL010224 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.25 FC1=CN=C(CBr)C(F)=C1 F18562 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.25 FC1=CN=C(CCl)C(F)=C1 P11155 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.25 N#CC1=C(Br)C=C(Br)C=N1 50287 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.25 N#CC1=C(Cl)C=C(F)C=N1 BL010138 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.25 N#CC1=C(Cl)C=C(N)C=N1 87838 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.25 N#CC1=C(F)C=C(N)C=N1 24311 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.25 N#CC1=NC=C(Br)C=C1O 54573 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.25 N#CC1=NC=C(Cl)C=C1F BL001901 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.25 N#CC1=NC=C(F)C=C1N 24253 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.25 NC1=CC(Br)=CN=C1C=O P13238 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.25 NC1=CC(Br)=CN=C1CO 39153 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.25 NC1=CC(F)=CN=C1C=O D83274 [0,2,0,0,0,0|2,0,0]=4 749 B10R1.25 NCC1=C(Br)C=C(Cl)C=N1 87902 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.25 NCC1=C(Br)C=C(F)C=N1 D79768 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.25 NCC1=NC=C(Br)C=C1Cl AT10811 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.25 NCC1=NC=C(Cl)C=C1F 24125 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.25 O=CC1=C(Br)C=C(Br)C=N1 W15435 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.25 O=CC1=C(Br)C=C(Cl)C=N1 BL010229 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.25 O=CC1=C(Br)C=C(F)C=N1 58153 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=N1 80307 [0,2,0,0,0,0|2,0,0]=4 757 B10R1.25 O=CC1=C(F)C=C(F)C=N1 F11044 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 BL010228 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.25 OCC1=C(Cl)C=C(F)C=N1 BL010214 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.25 OCC1=C(F)C=C(F)C=N1 78724 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.25 OCC1=NC=C(Br)C=C1Cl 97688 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 CS1689 [0,2,0,0,0,0|2,0,0]=4 763 B10R1.176 CC1=C(Br)C=C(CO)N=C1 AC5138 [0,2,0,0,0,0|2,0,0]=4 764 B10R1.176 CC1=C(Br)C=C(CO)N=C1 F31019 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.176 CC1=C(Br)C=CC(CO)=N1 91337 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.176 CC1=C(Br)C=NC(CN)=C1 D79769 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.176 CC1=C(Br)C=NC(NN)=C1 BL010281 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.176 CC1=C(F)C=CC(C=O)=N1 P10585 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.176 CC1=C(O)C=NC(C#N)=C1 W16878 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.176 CC1=CC=C(C#N)N=C1Cl AC2147 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [0,2,0,0,0,0|2,0,0]=4 775 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [0,2,0,0,0,0|2,0,0]=4 777 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 C72403 [0,2,0,0,0,0|1,0,0]=3 779 B10R1.176 COC1=CC(=O)N(C)C=C1 79097 [0,2,0,0,0,0|2,0,0]=4 780 B10R1.176 COC1=CC(Br)=C(C)C=N1 P20929 [0,2,0,0,0,0|0,0,0]=2 781 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.176 COC1=CC(Br)=C(Cl)C=N1 C71758 [0,2,0,0,0,0|0,0,0]=2 783 B10R1.176 COC1=CC(Br)=C(Cl)N=C1 C14046 [0,2,0,0,0,0|2,0,0]=4 784 B10R1.176 COC1=CC(Br)=C(F)C=N1 F12224 [0,2,0,0,0,0|0,0,0]=2 785 B10R1.176 COC1=CC(Cl)=C(Br)C=N1 25841 [0,2,0,0,0,0|0,0,0]=2 786 B10R1.176 COC1=CC(Cl)=C(I)C=C1 D72033 [0,2,0,0,0,0|1,0,0]=3 787 B10R1.176 COC1=CC(Cl)=C(I)C=N1 W10502 [0,2,0,0,0,0|0,0,0]=2 788 B10R1.176 COC1=CC(F)=C(N)C=N1 D94273 [0,2,0,0,0,0|0,0,0]=2 789 B10R1.176 COC1=CC(F)=C(N)N=C1 C71770 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.176 COC1=CC(I)=C(Cl)C=N1 S10269 [0,2,0,0,0,0|0,0,0]=2 791 B10R1.176 COC1=CC(I)=C(F)C=N1 22601 [0,2,0,0,0,0|0,0,0]=2 792 B10R1.176 COC1=CC(O)=C(F)C=N1 79067 [0,2,0,0,0,0|0,0,0]=2 793 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [0,2,0,0,0,0|1,0,0]=3 794 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [0,2,0,0,0,0|1,0,0]=3 795 B10R1.176 COC1=CC=C(Br)C(Br)=N1 S10112 [0,2,0,0,0,0|0,0,0]=2 796 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 C76674 [0,2,0,0,0,0|0,0,0]=2 797 B10R1.176 COC1=CN=C(Br)C(F)=C1 D83224 [0,2,0,0,0,0|2,0,0]=4 798 B10R1.176 COC1=CN=C(Br)C(N)=C1 24981 [0,2,0,0,0,0|2,0,0]=4 799 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C76383 [0,2,0,0,0,0|2,0,0]=4 800 B10R1.176 COC1=CN=C(Cl)C(N)=N1 C72387 [0,2,0,0,0,0|1,0,0]=3 801 B10R1.176 COC1=NC(C)=C(Br)C=N1 C74970 [0,2,0,0,0,0|1,0,0]=3 802 B10R1.176 COC1=NC(C)=C(N)C=N1 C77088 [0,2,0,0,0,0|1,0,0]=3 803 B10R1.176 COC1=NC(C)=C(N)N=C1 D82743 [0,2,0,0,0,0|1,0,0]=3 804 B10R1.176 COC1=NC(Cl)=C(Br)C=C1 C76489 [0,2,0,0,0,0|0,0,0]=2 805 B10R1.176 COC1=NC(F)=C(Br)C=C1 S10193 [0,2,0,0,0,0|0,0,0]=2 806 B10R1.176 COC1=NC(N)=C(Br)C=C1 C75397 [0,2,0,0,0,0|0,0,0]=2 807 B10R1.176 COC1=NC(N)=C(Br)C=N1 24319 [0,2,0,0,0,0|1,0,0]=3 808 B10R1.176 COC1=NC(N)=C(Cl)C=C1 O10989 [0,2,0,0,0,0|0,0,0]=2 809 B10R1.176 COC1=NC=C(C)C(Cl)=N1 D70586 [0,2,0,0,0,0|1,0,0]=3 810 B10R1.176 COC1=NC=C(C)C(N)=C1 C72054 [0,2,0,0,0,0|0,0,0]=2 811 B10R1.176 COC1=NC=C(N)C(N)=C1 29189 [0,2,0,0,0,0|0,0,0]=2 812 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 38289 [0,2,0,0,0,0|1,1,0]=4 813 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 26737 [0,2,0,0,0,0|1,1,0]=4 814 B10R1.176 CSC1=NC=C(F)C(Cl)=N1 37233 [0,2,0,0,0,0|1,1,0]=4 815 B10R1.176 CSC1=NC=C(I)C(=O)N1 72699 [0,2,0,0,0,0|1,1,0]=4 816 B10R1.176 ClCC1=NC(Cl)=C(Br)C=C1 D79873 [0,2,0,0,0,0|2,0,0]=4 817 B10R1.176 FC1=CC=C(CCl)N=C1Br D79887 [0,2,0,0,0,0|2,0,0]=4 818 B10R1.176 N#CC1=CC(Br)=C(Cl)C=N1 P18159 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.176 N#CC1=CC=C(F)C(Br)=N1 D79817 [0,2,0,0,0,0|2,0,0]=4 820 B10R1.176 N#CC1=CC=C(N)C(Br)=N1 24312 [0,2,0,0,0,0|2,0,0]=4 821 B10R1.176 N#CC1=NC(Cl)=C(Br)C=C1 80989 [0,2,0,0,0,0|2,0,0]=4 822 B10R1.176 NCC1=CC=C(Cl)C(Cl)=N1 Y13179 [0,2,0,0,0,0|2,0,0]=4 823 B10R1.176 NCC1=NC(Cl)=C(Br)C=C1 C73424 [0,2,0,0,0,0|2,0,0]=4 824 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 C14399 [0,2,0,0,0,0|2,0,0]=4 825 B10R1.176 O=CC1=NC(Cl)=C(Br)C=C1 32221 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.176 OCC1=CC(Cl)=C(F)C=N1 P10865 [0,2,0,0,0,0|2,0,0]=4 827 B10R1.2 CC1=C(Br)C=CN=C1C#N D79225 [0,2,0,0,0,0|2,0,0]=4 828 B10R1.2 CC1=C(Cl)C=CN=C1C#N P10468 [0,2,0,0,0,0|2,0,0]=4 829 B10R1.2 CC1=C(Cl)C=CN=C1CCl W19099 [0,2,0,0,0,0|2,0,0]=4 830 B10R1.2 CC1=CC=NC(C#N)=C1Br C76283 [0,2,0,0,0,0|2,0,0]=4 831 B10R1.2 CC1=CC=NC(C=O)=C1Cl S10197 [0,2,0,0,0,0|2,0,0]=4 832 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [0,2,0,0,0,0|2,0,0]=4 833 B10R1.2 CCC1=NC=NC(O)=C1Cl F30102 [0,2,0,0,0,0|2,0,0]=4 834 B10R1.2 CNC1=C(C)C(Cl)=NC=N1 C72716 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.2 CNC1=C(Cl)C(Cl)=NC=N1 D71962 [0,2,0,0,0,0|2,0,0]=4 836 B10R1.2 CNC1=C(N)C(Cl)=NC=N1 87209 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.2 CNC1=CC=CC(Br)=C1N 79197 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.2 COC1=C(Br)C(N)=CC=N1 38420 [0,2,0,0,0,0|0,0,0]=2 839 B10R1.2 COC1=C(C)C(Br)=NC=C1 D83215 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.2 COC1=C(C)C(Cl)=NC=C1 D84336 [0,2,0,0,0,0|2,0,0]=4 841 B10R1.2 COC1=C(C)C(Cl)=NC=N1 H11469 [0,2,0,0,0,0|1,0,0]=3 842 B10R1.2 COC1=C(C)C(N)=CN=C1 N13054 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.2 COC1=C(Cl)C(Cl)=CC=N1 D83251 [0,2,0,0,0,0|0,0,0]=2 844 B10R1.2 COC1=C(Cl)C(Cl)=NC=C1 P17363 [0,2,0,0,0,0|2,0,0]=4 845 B10R1.2 COC1=C(Cl)C(Cl)=NC=N1 P18609 [0,2,0,0,0,0|1,0,0]=3 846 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C12073 [0,2,0,0,0,0|1,0,0]=3 847 B10R1.2 COC1=C(F)C(Br)=NC=C1 H11794 [0,2,0,0,0,0|2,0,0]=4 848 B10R1.2 COC1=C(I)C(N)=CC=C1 34421 [0,2,0,0,0,0|1,0,0]=3 849 B10R1.2 COC1=C(N)C(N)=CC=C1 35991 [0,2,0,0,0,0|1,0,0]=3 850 B10R1.2 COC1=C(N)C(N)=CC=C1 Y10418 [0,2,0,0,0,0|1,0,0]=3 851 B10R1.2 COC1=C(O)C(N)=CC=C1 O10656 [0,2,0,0,0,0|1,0,0]=3 852 B10R1.2 COC1=CC=CC(Br)=C1Br CL8946 [0,2,0,0,0,0|1,0,0]=3 853 B10R1.2 COC1=CC=CC(Cl)=C1Br F20980 [0,2,0,0,0,0|1,0,0]=3 854 B10R1.2 COC1=CC=CC(Cl)=C1O O10746 [0,2,0,0,0,0|1,0,0]=3 855 B10R1.2 COC1=CC=CC(F)=C1I 34512 [0,2,0,0,0,0|1,0,0]=3 856 B10R1.2 COC1=CC=CC(I)=C1N S10846 [0,2,0,0,0,0|1,0,0]=3 857 B10R1.2 COC1=CC=CC(I)=C1O 84030 [0,2,0,0,0,0|1,0,0]=3 858 B10R1.2 COC1=CN=CC(Br)=C1C CS1899 [0,2,0,0,0,0|2,0,0]=4 859 B10R1.2 COC1=NC=CC(Br)=C1C C71404 [0,2,0,0,0,0|0,0,0]=2 860 B10R1.2 COC1=NC=CC(C)=C1N 34938 [0,2,0,0,0,0|0,0,0]=2 861 B10R1.2 COC1=NC=CC(I)=C1C 96428 [0,2,0,0,0,0|0,0,0]=2 862 B10R1.2 COC1=NC=CC(I)=C1Cl 92374 [0,2,0,0,0,0|0,0,0]=2 863 B10R1.2 COC1=NC=CC(N)=C1N 24240 [0,2,0,0,0,0|0,0,0]=2 864 B10R1.2 CSC1=C(C)C(Cl)=NC=N1 W16885 [0,2,0,0,0,0|1,1,0]=4 865 B10R1.2 CSC1=CC=CC(Cl)=C1C F14681 [0,2,0,0,0,0|1,1,0]=4 866 B10R1.2 N#CC1=NC=CC(I)=C1F 82000 [0,2,0,0,0,0|2,0,0]=4 867 B10R1.2 O=CC1=NC=CC(Cl)=C1Br P19340 [0,2,0,0,0,0|2,0,0]=4 868 B10R1.8 CC1=CC(Br)=CC(C#N)=N1 P17802 [0,2,0,0,0,0|2,0,0]=4 869 B10R1.8 CC1=CC(Br)=CC(C=O)=N1 D78899 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.8 CC1=CC(Br)=CC(CO)=N1 C75215 [0,2,0,0,0,0|2,0,0]=4 871 B10R1.8 CC1=CC(C#N)=NC(C)=C1 D84740 [0,2,0,0,0,0|2,0,0]=4 872 B10R1.8 CC1=CC(CBr)=NC(C)=C1 79215 [0,2,0,0,0,0|2,0,0]=4 873 B10R1.8 CC1=CC(CN)=NC(C)=C1 D79197 [0,2,0,0,0,0|2,0,0]=4 874 B10R1.8 CC1=CC(CO)=NC(C)=C1 F12065 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.8 CC1=CC(Cl)=CC(C#N)=N1 96459 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.8 CC1=CC(Cl)=NC(C#N)=C1 C91461 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.8 CCC1=CC(=O)NC(N)=N1 F10942 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.8 CCC1=CC(Br)=CC(N)=C1 O10968 [0,2,0,0,0,0|2,0,0]=4 879 B10R1.8 CCC1=CC(C)=CC(O)=C1 D84187 [0,2,0,0,0,0|2,0,0]=4 880 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 51558 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.8 CCC1=NC(Cl)=CC(Cl)=N1 O11133 [0,2,0,0,0,0|2,0,0]=4 882 B10R1.8 CNC1=CC(C)=NC(Cl)=N1 C74837 [0,2,0,0,0,0|2,0,0]=4 883 B10R1.8 CNC1=CC(Cl)=NC(C)=N1 C75639 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.8 CNC1=CC(F)=CC(F)=C1 W16587 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.8 CNC1=NC(Cl)=NC(Cl)=C1 Y11296 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.8 COC1=CC(=O)NC(=O)N1 25609 [0,2,0,0,0,0|1,0,1]=4 887 B10R1.8 COC1=CC(=O)OC(C)=C1 A10838 [0,2,0,0,0,0|2,0,0]=4 888 B10R1.8 COC1=CC(Br)=CC(Cl)=N1 O11171 [0,2,0,0,0,0|0,0,0]=2 889 B10R1.8 COC1=CC(Br)=NC(N)=C1 O11551 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.8 COC1=CC(Br)=NC(N)=N1 69754 [0,2,0,0,0,0|1,0,0]=3 891 B10R1.8 COC1=CC(C)=NC(Cl)=N1 73974 [0,2,0,0,0,0|1,0,0]=3 892 B10R1.8 COC1=CC(Cl)=CC(Cl)=N1 79601 [0,2,0,0,0,0|0,0,0]=2 893 B10R1.8 COC1=CC(Cl)=NC(C)=C1 A11697 [0,2,0,0,0,0|2,0,0]=4 894 B10R1.8 COC1=CC(Cl)=NC(C)=N1 36026 [0,2,0,0,0,0|1,0,0]=3 895 B10R1.8 COC1=CC(Cl)=NC(N)=C1 O11575 [0,2,0,0,0,0|2,0,0]=4 896 B10R1.8 COC1=CC(F)=NC(F)=C1 D83208 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.8 COC1=CC(N)=CC(Br)=N1 O10695 [0,2,0,0,0,0|0,0,0]=2 898 B10R1.8 COC1=CC(N)=CC(Cl)=N1 79629 [0,2,0,0,0,0|0,0,0]=2 899 B10R1.8 COC1=NC(C)=CC(Br)=C1 C71306 [0,2,0,0,0,0|0,0,0]=2 900 B10R1.8 COC1=NC(C)=CC(Cl)=N1 C77332 [0,2,0,0,0,0|1,0,0]=3 901 B10R1.8 COC1=NC(C)=CC(N)=C1 F21240 [0,2,0,0,0,0|0,0,0]=2 902 B10R1.8 COC1=NC(C)=NC(C)=C1 C72587 [0,2,0,0,0,0|1,0,0]=3 903 B10R1.8 COC1=NC(C)=NC(N)=C1 D71931 [0,2,0,0,0,0|1,0,0]=3 904 B10R1.8 COC1=NC(N)=CC(Br)=C1 D83261 [0,2,0,0,0,0|0,0,0]=2 905 B10R1.8 COC1=NC(N)=CC(C)=N1 C75435 [0,2,0,0,0,0|1,0,0]=3 906 B10R1.8 COC1=NC(N)=CC(Cl)=C1 O11220 [0,2,0,0,0,0|0,0,0]=2 907 B10R1.8 COC1=NC(N)=CC(Cl)=N1 58084 [0,2,0,0,0,0|1,0,0]=3 908 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 P18328 [0,2,0,0,0,0|1,1,0]=4 909 B10R1.8 CSC1=NC(N)=CC(C)=N1 C74284 [0,2,0,0,0,0|1,1,0]=4 910 B10R1.8 CSC1=NC(O)=CC(Cl)=N1 81362 [0,2,0,0,0,0|1,1,0]=4 911 B10R1.8 CSC1=NC(O)=NC(C)=C1 H10246 [0,2,0,0,0,0|1,1,0]=4 912 B10R1.8 N#CC1=CC(Br)=CC(Br)=N1 P19258 [0,2,0,0,0,0|2,0,0]=4 913 B10R1.8 N#CC1=CC(Br)=CC(Cl)=N1 C71704 [0,2,0,0,0,0|2,0,0]=4 914 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 Y13359 [0,2,0,0,0,0|2,0,0]=4 915 B10R1.8 NOC1=CC(Cl)=CC(Cl)=C1 C77396 [0,2,0,0,0,0|2,0,0]=4 916 B10R1.8 OCC1=CC(Cl)=CC(Cl)=N1 C76763 [0,2,0,0,0,0|2,0,0]=4 917 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [0,2,0,0,0,0|2,0,0]=4 918 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,2,0,0,0,0|2,0,0]=4 919 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [0,2,0,0,0,0|2,0,0]=4 922 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.10 CCNC1=CC=NC(Cl)=N1 S12322 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [0,2,0,0,0,0|2,0,0]=4 925 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.10 CCOC1=CC=NC(Cl)=N1 A11250 [0,2,0,0,0,0|1,0,0]=3 927 B10R1.10 CCOC1=NC(C)=CN=C1 C75488 [0,2,0,0,0,0|1,0,0]=3 928 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [0,2,0,0,0,0|0,0,0]=2 929 B10R1.10 CCOC1=NC(N)=CC=N1 70347 [0,2,0,0,0,0|1,0,0]=3 930 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [0,2,0,0,0,0|0,0,0]=2 931 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [0,2,0,0,0,0|2,0,0]=4 932 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [0,2,0,0,0,0|1,0,0]=3 933 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [0,2,0,0,0,0|2,0,0]=4 934 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [0,2,0,0,0,0|2,0,0]=4 935 B10R1.10 COCC1=CC(Cl)=NC=N1 92041 [0,2,0,0,0,0|1,0,0]=3 936 B10R1.10 COCC1=CC=NC(Cl)=N1 C72174 [0,2,0,0,0,0|1,0,0]=3 937 B10R1.10 COCC1=NC(N)=CC=N1 20330 [0,2,0,0,0,0|1,0,0]=3 938 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [0,2,0,0,0,0|1,1,0]=4 939 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [0,2,0,0,0,0|1,1,0]=4 940 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [0,2,0,0,0,0|1,1,0]=4 941 B10R1.10 N#CCC1=CC=CC(F)=N1 W13471 [0,2,0,0,0,0|1,0,1]=4 942 B10R1.10 N#CCC1=NC=CC(Br)=C1 O10478 [0,2,0,0,0,0|1,0,1]=4 943 B10R1.10 N#CCC1=NC=CC(F)=C1 C71012 [0,2,0,0,0,0|1,0,1]=4 944 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [0,2,0,0,0,0|2,0,0]=4 945 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [0,2,0,0,0,0|1,0,0]=3 946 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [0,2,0,0,0,0|1,0,0]=3 947 B10R1.30 CC1=C(C#N)N=C(Br)C=C1 86250 [0,2,0,0,0,0|2,0,0]=4 948 B10R1.30 CC1=CC=C(C)C(CO)=N1 C16468 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.30 CC1=CC=C(O)C(C=O)=N1 W11337 [0,2,0,0,0,0|2,0,0]=4 950 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C12327 [0,2,0,0,0,0|2,0,0]=4 951 B10R1.30 CC1=NC(C#N)=C(Br)C=C1 22643 [0,2,0,0,0,0|2,0,0]=4 952 B10R1.30 CC1=NC(C#N)=C(Cl)C=C1 C77010 [0,2,0,0,0,0|2,0,0]=4 953 B10R1.30 CC1=NC(C=O)=C(F)C=C1 P17355 [0,2,0,0,0,0|2,0,0]=4 954 B10R1.30 CC1=NC(CCl)=C(Cl)C=C1 D83946 [0,2,0,0,0,0|2,0,0]=4 955 B10R1.30 CC1=NC(CO)=C(Br)C=C1 D72095 [0,2,0,0,0,0|2,0,0]=4 956 B10R1.30 CCC1=C(N)C=CC(F)=C1 D83440 [0,2,0,0,0,0|2,0,0]=4 957 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [0,2,0,0,0,0|1,0,0]=3 958 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [0,2,0,0,0,0|2,0,0]=4 959 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 W16029 [0,2,0,0,0,0|2,0,0]=4 960 B10R1.30 CNC1=C(C)C=CC(O)=C1 C75943 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.30 CNC1=C(N)C=CC(C)=C1 N12938 [0,2,0,0,0,0|2,0,0]=4 962 B10R1.30 CNC1=C(N)C=CC(Cl)=N1 W11032 [0,2,0,0,0,0|1,0,0]=3 963 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 88327 [0,2,0,0,0,0|0,0,0]=2 964 B10R1.30 COC1=C(Br)C=NC(C)=C1 N10207 [0,2,0,0,0,0|2,0,0]=4 965 B10R1.30 COC1=C(Br)C=NC(F)=C1 FD10681 [0,2,0,0,0,0|2,0,0]=4 966 B10R1.30 COC1=C(C)C=NC(Cl)=N1 83973 [0,2,0,0,0,0|1,0,0]=3 967 B10R1.30 COC1=C(Cl)C=CC(Br)=N1 D83067 [0,2,0,0,0,0|0,0,0]=2 968 B10R1.30 COC1=C(Cl)C=NC(N)=C1 A10702 [0,2,0,0,0,0|2,0,0]=4 969 B10R1.30 COC1=C(I)C=CC(Br)=N1 W18510 [0,2,0,0,0,0|0,0,0]=2 970 B10R1.30 COC1=C(I)C=CC(C)=C1 Y14673 [0,2,0,0,0,0|1,0,0]=3 971 B10R1.30 COC1=C(I)C=CC(N)=C1 C71377 [0,2,0,0,0,0|1,0,0]=3 972 B10R1.30 COC1=C(I)C=NC(Cl)=C1 C71858 [0,2,0,0,0,0|2,0,0]=4 973 B10R1.30 COC1=C(I)C=NC(Cl)=N1 F50762 [0,2,0,0,0,0|1,0,0]=3 974 B10R1.30 COC1=C(I)C=NC(N)=C1 D76350 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.30 COC1=C(N)C=CC(Cl)=C1 AB2767 [0,2,0,0,0,0|1,0,0]=3 976 B10R1.30 COC1=C(N)C=CC(N)=C1 E10141 [0,2,0,0,0,0|1,0,0]=3 977 B10R1.30 COC1=C(N)C=CC(O)=C1 30482 [0,2,0,0,0,0|1,0,0]=3 978 B10R1.30 COC1=C(N)C=NC(Cl)=N1 73801 [0,2,0,0,0,0|1,0,0]=3 979 B10R1.30 COC1=C(O)C=CC(Br)=N1 C11325 [0,2,0,0,0,0|0,0,0]=2 980 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [0,2,0,0,0,0|2,0,0]=4 981 B10R1.30 COC1=CC(Br)=NC=C1Br 94342 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.30 COC1=CC(Br)=NC=C1C A11960 [0,2,0,0,0,0|2,0,0]=4 983 B10R1.30 COC1=CC(Cl)=NC=C1Cl 26260 [0,2,0,0,0,0|2,0,0]=4 984 B10R1.30 COC1=CC(Cl)=NC=C1N C72019 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.30 COC1=CC(N)=CN=C1Cl 54845 [0,2,0,0,0,0|2,0,0]=4 986 B10R1.30 COC1=NC(Br)=CN=C1Br I11275 [0,2,0,0,0,0|1,0,0]=3 987 B10R1.30 COC1=NC(Br)=CN=C1I 27639 [0,2,0,0,0,0|1,0,0]=3 988 B10R1.30 COC1=NC(Br)=CNC1=O C13693 [0,2,0,0,0,0|1,0,0]=3 989 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [0,2,0,0,0,0|1,0,0]=3 990 B10R1.30 COC1=NC(C)=CN=C1N C77014 [0,2,0,0,0,0|1,0,0]=3 991 B10R1.30 COC1=NC(C)=NC=C1N C75487 [0,2,0,0,0,0|1,0,0]=3 992 B10R1.30 COC1=NC(N)=CN=C1Br D82133 [0,2,0,0,0,0|1,0,0]=3 993 B10R1.30 CSC1=C(C)C=CC(Cl)=C1 D83340 [0,2,0,0,0,0|1,1,0]=4 994 B10R1.30 CSC1=C(F)C=NC(Cl)=N1 P11955 [0,2,0,0,0,0|1,1,0]=4 995 B10R1.30 FC1=NC(CCl)=C(Br)C=C1 W17900 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.30 N#CC1=C(Br)C=CC(Cl)=N1 P10906 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.30 N#CC1=C(Br)C=CC(N)=N1 51049 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.30 N#CC1=C(F)C=CC(Cl)=N1 AC8454 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.30 N#CC1=C(O)C=CC(Cl)=N1 57117 [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.30 O=CC1=C(F)C=CC(Cl)=N1 C10107 [0,2,0,0,0,0|2,0,0]=4 1001 B10R1.30 OCC1=C(Br)C=CC(Br)=N1 AT15259 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.30 OCC1=C(Br)C=CC(Cl)=N1 24113 [0,2,0,0,0,0|2,0,0]=4 1003 B10R1.30 OCC1=C(F)C=CC(Br)=N1 79199 [0,2,0,0,0,0|2,0,0]=4 1004 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,2,0,0,0,0|2,0,0]=4 1005 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,2,0,0,0,0|1,0,0]=3 1008 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,2,0,0,0,0|2,0,0]=4 1009 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,2,0,0,0,0|2,0,0]=4 1010 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,2,0,0,0,0|2,0,0]=4 1011 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,2,0,0,0,0|1,0,0]=3 1012 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,2,0,0,0,0|1,0,0]=3 1013 B10R1.113 CC(C)C1=CC(Cl)=NC=N1 D95118 [0,2,0,0,0,0|2,0,0]=4 1014 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [0,2,0,0,0,0|1,0,1]=4 1015 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [0,2,0,0,0,0|1,0,0]=3 1016 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [0,2,0,0,0,0|1,0,0]=3 1017 B10R1.113 CC(C)C1=CC=NC(N)=N1 92048 [0,2,0,0,0,0|2,0,0]=4 1018 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [0,2,0,0,0,0|1,0,0]=3 1019 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [0,2,0,0,0,0|1,0,0]=3 1020 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [0,2,0,0,0,0|1,0,0]=3 1021 B10R1.113 CC(C)C1=NC=CC(O)=N1 W12564 [0,2,0,0,0,0|2,0,0]=4 1022 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,2,0,0,0,0|2,0,0]=4 1023 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,2,0,0,0,0|1,0,0]=3 1024 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,2,0,0,0,0|2,0,0]=4 1025 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,2,0,0,0,0|2,0,0]=4 1031 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,2,0,0,0,0|1,0,0]=3 1034 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 W17269 [0,2,0,0,0,0|2,0,0]=4 1035 B10R1.113 CN(C)C1=CC=CC(Br)=N1 92343 [0,2,0,0,0,0|1,0,0]=3 1036 B10R1.113 CN(C)C1=NC=CC(Br)=C1 26905 [0,2,0,0,0,0|1,0,0]=3 1037 B10R1.113 CN(C)C1=NC=CC(Cl)=N1 F11794 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.113 CN(C)C1=NC=NC(N)=C1 AT18311 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [0,2,0,0,0,0|2,0,0]=4 1040 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [0,2,0,0,0,0|1,0,0]=3 1042 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [0,2,0,0,0,0|1,0,0]=3 1043 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [0,2,0,0,0,0|1,0,0]=3 1044 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [0,2,0,0,0,0|1,0,0]=3 1045 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [0,2,0,0,0,0|1,0,0]=3 1046 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [0,2,0,0,0,0|1,0,0]=3 1047 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [0,2,0,0,0,0|1,0,0]=3 1048 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [0,2,0,0,0,0|2,0,0]=4 1049 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [0,2,0,0,0,0|2,0,0]=4 1050 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [0,2,0,0,0,0|2,0,0]=4 1051 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [0,2,0,0,0,0|1,0,0]=3 1052 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [0,2,0,0,0,0|1,0,0]=3 1053 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [0,2,0,0,0,0|2,0,0]=4 1054 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [0,2,0,0,0,0|2,0,0]=4 1055 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [0,2,0,0,0,0|2,0,0]=4 1056 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [0,2,0,0,0,0|2,0,0]=4 1058 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [0,2,0,0,0,0|1,0,0]=3 1059 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [0,2,0,0,0,0|1,0,0]=3 1060 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [0,2,0,0,0,0|1,0,0]=3 1061 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [0,2,0,0,0,0|1,0,0]=3 1062 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [0,2,0,0,0,0|2,0,0]=4 1063 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,2,0,0,0,0|2,0,0]=4 1067 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,2,0,0,0,0|2,0,0]=4 1068 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,2,0,0,0,0|2,0,0]=4 1069 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,2,0,0,0,0|2,0,0]=4 1070 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,2,0,0,0,0|2,0,0]=4 1071 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,2,0,0,0,0|2,0,0]=4 1072 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,2,0,0,0,0|1,0,0]=3 1073 B10R1.113 FC(F)C1=CC=CC(Cl)=N1 D83938 [0,2,0,0,0,0|2,0,0]=4 1074 B10R1.113 FC(F)C1=NC=CC(Cl)=C1 69159 [0,2,0,0,0,0|2,0,0]=4 1075 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,2,0,0,0,0|2,0,0]=4 1076 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,2,0,0,0,0|2,0,0]=4 1077 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.113 NC1=CC(C(F)F)=NC=C1 C73620 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 CS1209 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 BL000528 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.113 O=[N+]([O-])C1=NC=CC(Br)=C1 C77097 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.113 O=[N+]([O-])C1=NC=CC(F)=C1 C76921 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 H10537 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.113 OB(O)C1=NC=CC(Cl)=C1 S11103 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.172 C#CC1=CC(C#N)=NC=C1 94418 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.172 C#CC1=CC=CC(SC)=C1 W13076 [0,2,0,0,0,0|1,1,0]=4 1089 B10R1.172 C#CC1=NC=CC(C#N)=C1 94414 [0,2,0,0,0,0|1,0,1]=4 1090 B10R1.172 C=CC1=CC=CC(C=O)=N1 W15331 [0,2,0,0,0,0|1,0,1]=4 1091 B10R1.172 C=CC1=NC=CC(OC)=C1 52910 [0,2,0,0,0,0|1,0,1]=4 1092 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [0,2,0,0,0,0|1,0,0]=3 1093 B10R1.172 CCC1=CC=CC(CO)=N1 26583 [0,2,0,0,0,0|1,0,0]=3 1094 B10R1.172 CCC1=CC=NC(CC)=N1 31687 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.172 CNC1=CC(OC)=NC=C1 F13448 [0,2,0,0,0,0|0,0,0]=2 1096 B10R1.172 CNC1=CC=CC(C#N)=C1 O10890 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.172 CNC1=CC=CC(NC)=C1 76715 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.172 CNC1=CC=NC(NC)=N1 C90554 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.172 CNC1=NC=CC(C=O)=N1 26519 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.172 COC1=CC=CC(CCl)=N1 36534 [0,2,0,0,0,0|0,0,0]=2 1101 B10R1.172 COC1=CN=CC(CN)=C1 38429 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.172 COC1=CN=CC(CN)=C1 Y14791 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.172 COC1=CN=CC(OC)=C1 24562 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.172 COC1=NC(C#N)=CN=C1 O10820 [0,2,0,0,0,0|1,0,0]=3 1105 B10R1.172 COC1=NC(CN)=CC=C1 Y11459 [0,2,0,0,0,0|0,0,0]=2 1106 B10R1.172 COC1=NC(CN)=CC=N1 P10949 [0,2,0,0,0,0|1,0,0]=3 1107 B10R1.172 COC1=NC(CN)=CC=N1 P16417 [0,2,0,0,0,0|1,0,0]=3 1108 B10R1.172 COC1=NC(CN)=NC=C1 P15840 [0,2,0,0,0,0|1,0,0]=3 1109 B10R1.172 COC1=NC(CO)=CC=N1 P12426 [0,2,0,0,0,0|1,0,0]=3 1110 B10R1.172 COC1=NC=CC(C=O)=N1 27203 [0,2,0,0,0,0|1,0,0]=3 1111 B10R1.172 COC1=NC=CC(CCl)=C1 82046 [0,2,0,0,0,0|0,0,0]=2 1112 B10R1.172 COC1=NC=CC(CN)=C1 36533 [0,2,0,0,0,0|0,0,0]=2 1113 B10R1.172 COC1=NC=CC(CN)=C1 Y13036 [0,2,0,0,0,0|0,0,0]=2 1114 B10R1.172 COC1=NC=NC(C#N)=C1 54898 [0,2,0,0,0,0|1,0,0]=3 1115 B10R1.172 COC1=NC=NC(OC)=N1 T70485 [0,2,0,0,0,0|2,0,0]=4 1116 B10R1.172 CSC1=NC(C=O)=CC=N1 26756 [0,2,0,0,0,0|1,1,0]=4 1117 B10R1.172 CSC1=NC(CN)=CC=N1 C72245 [0,2,0,0,0,0|1,1,0]=4 1118 B10R1.172 CSC1=NC(NN)=CC=N1 F16827 [0,2,0,0,0,0|1,1,0]=4 1119 B10R1.172 CSC1=NC=NC(NN)=C1 O11236 [0,2,0,0,0,0|1,1,0]=4 1120 B10R1.172 ClCC1=CC=CC(CCl)=N1 D78082 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.172 N#CC1=CC(C=O)=NC=C1 FD10588 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.172 N#CC1=CC(CO)=NC=C1 FD10587 [0,2,0,0,0,0|2,0,0]=4 1123 B10R1.172 N#CC1=CC=CC(C=O)=N1 P10169 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.172 N#CC1=CC=CC(CBr)=N1 54578 [0,2,0,0,0,0|2,0,0]=4 1125 B10R1.172 N#CC1=CC=CC(CO)=N1 57474 [0,2,0,0,0,0|2,0,0]=4 1126 B10R1.172 N#CC1=NC=CC(C=O)=C1 P10358 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.172 N#CC1=NC=CC(CBr)=C1 72021 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.172 N#CC1=NC=CC(CO)=C1 F19687 [0,2,0,0,0,0|2,0,0]=4 1129 B10R1.172 NCC1=CC=CC(CN)=N1 C11112 [0,2,0,0,0,0|2,0,0]=4 1130 B10R1.172 NCC1=CC=CC(CO)=N1 C15881 [0,2,0,0,0,0|2,0,0]=4 1131 B10R1.172 NCC1=CC=CC(CO)=N1 C73446 [0,2,0,0,0,0|2,0,0]=4 1132 B10R1.172 O=CC1=CC=CC(CF)=N1 C73928 [0,2,0,0,0,0|2,0,0]=4 1133 B10R1.172 O=CC1=NC(CO)=CC=C1 78596 [0,2,0,0,0,0|2,0,0]=4 1134 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,2,0,0,0,0|2,0,0]=4 1138 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,2,0,0,0,0|2,0,0]=4 1139 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,2,0,0,0,0|1,0,0]=3 1140 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,2,0,0,0,0|1,0,0]=3 1141 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,2,0,0,0,0|1,0,0]=3 1142 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,2,0,0,0,0|1,0,0]=3 1143 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,2,0,0,0,0|1,0,0]=3 1144 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,2,0,0,0,0|1,0,0]=3 1145 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,2,0,0,0,0|2,0,0]=4 1146 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,2,0,0,0,0|2,0,0]=4 1147 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [0,2,0,0,0,0|1,0,0]=3 1148 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.15 N=C(NN)C1=NC=CC=C1 I10248 [0,2,0,0,0,0|2,0,0]=4 1150 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,2,0,0,0,0|2,0,0]=4 1151 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,2,0,0,0,0|1,0,0]=3 1152 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,2,0,0,0,0|1,0,0]=3 1153 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,2,0,0,0,0|1,0,0]=3 1154 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,2,0,0,0,0|1,0,0]=3 1157 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,2,0,0,0,0|2,0,0]=4 1158 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 O12024 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [0,2,0,0,0,0|1,0,0]=3 1160 B10R1.28 CC(C)(N)C1=NC=CC=N1 AT12625 [0,2,0,0,0,0|2,0,0]=4 1161 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [0,2,0,0,0,0|1,0,0]=3 1162 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 O10532 [0,2,0,0,0,0|1,1,0]=4 1163 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [0,2,0,0,0,0|2,0,0]=4 1164 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [0,2,0,0,0,0|2,0,0]=4 1165 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [0,2,0,0,0,0|1,1,0]=4 1166 B10R1.28 C[Sn](C)(C)C1=NC=CC=C1 T71744 [0,2,0,0,0,0|1,0,0]=3 1167 B10R1.28 O=S(=O)(Cl)C1=NC=CC=C1 F14522 [0,2,0,0,0,0|1,1,0]=4 1168 B10R1.28 O[B-](O)(O)C1=NC=CC=C1 CS1806 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.28 [2H]C([2H])(N)C1=NC=CC=C1 W18284 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,2,0,0,0,0|1,0,0]=3 1172 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,2,0,0,0,0|1,0,0]=3 1174 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,2,0,0,0,0|1,0,0]=3 1175 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,2,0,0,0,0|1,0,0]=3 1176 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [0,2,0,0,0,0|1,0,0]=3 1177 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [0,2,0,0,0,0|2,0,0]=4 1178 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [0,2,0,0,0,0|1,0,0]=3 1179 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,2,0,0,0,0|2,0,0]=4 1183 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,2,0,0,0,0|2,0,0]=4 1184 B10R1.61 CC1=CC=CN=C1B(O)O C16742 [0,2,0,0,0,0|2,0,0]=4 1185 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,2,0,0,0,0|2,0,0]=4 1186 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,2,0,0,0,0|1,0,0]=3 1187 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,2,0,0,0,0|1,0,0]=3 1188 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,2,0,0,0,0|1,0,0]=3 1189 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,2,0,0,0,0|1,0,0]=3 1190 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,2,0,0,0,0|1,0,0]=3 1191 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,2,0,0,0,0|1,0,0]=3 1192 B10R1.61 CN(C)C1=C(Br)C=CC=N1 N11615 [0,2,0,0,0,0|1,0,0]=3 1193 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [0,2,0,0,0,0|1,0,0]=3 1197 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [0,2,0,0,0,0|1,0,0]=3 1198 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [0,2,0,0,0,0|1,0,0]=3 1199 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,2,0,0,0,0|2,0,0]=4 1200 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,2,0,0,0,0|2,0,0]=4 1202 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [0,2,0,0,0,0|1,0,0]=3 1203 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [0,2,0,0,0,0|2,0,0]=4 1204 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [0,2,0,0,0,0|2,0,0]=4 1205 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [0,2,0,0,0,0|2,0,0]=4 1206 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [0,2,0,0,0,0|2,0,0]=4 1207 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [0,2,0,0,0,0|2,0,0]=4 1208 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [0,2,0,0,0,0|1,0,0]=3 1209 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [0,2,0,0,0,0|1,0,0]=3 1210 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [0,2,0,0,0,0|2,0,0]=4 1211 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,2,0,0,0,0|2,0,0]=4 1212 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,2,0,0,0,0|1,0,0]=3 1215 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,2,0,0,0,0|1,0,0]=3 1216 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.61 FC(F)C1=C(Br)C=CC=N1 C71751 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.61 N=C(N)C1=C(F)C=CC=N1 90259 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.4 CC1=CC=CN=C1CCN C80033 [0,2,0,0,0,0|1,0,0]=3 1221 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [0,2,0,0,0,0|2,0,0]=4 1223 B10R1.4 CCOC1=CC=CN=C1F AC1769 [0,2,0,0,0,0|2,0,0]=4 1224 B10R1.4 CCOC1=CC=CNC1=O N13107 [0,2,0,0,0,0|2,0,0]=4 1225 B10R1.4 CCOC1=NC=CC=C1O 79061 [0,2,0,0,0,0|0,0,0]=2 1226 B10R1.4 CCOC1=NC=CN=C1N 25986 [0,2,0,0,0,0|1,0,0]=3 1227 B10R1.4 CCOC1=NC=NC=C1N C75583 [0,2,0,0,0,0|1,0,0]=3 1228 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [0,2,0,0,0,0|1,0,0]=3 1229 B10R1.4 N#CCC1=C(Br)C=CC=N1 P10900 [0,2,0,0,0,0|1,0,1]=4 1230 B10R1.4 N#CCC1=C(F)C=CC=N1 O10465 [0,2,0,0,0,0|1,0,1]=4 1231 B10R1.4 N#CCC1=NC=CC=C1N C71092 [0,2,0,0,0,0|1,0,1]=4 1232 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [0,2,0,0,0,0|1,0,0]=3 1233 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [0,2,0,0,0,0|1,0,0]=3 1235 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,2,0,0,0,0|1,0,0]=3 1237 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,2,0,0,0,0|2,0,0]=4 1240 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [0,2,0,0,0,0|2,0,0]=4 1241 B10R1.17 NCCNC1=NC=CC=N1 C72507 [0,2,0,0,0,0|2,0,0]=4 1242 B10R1.17 NCCOC1=CC=NC=C1 F31099 [0,2,0,0,0,0|2,0,0]=4 1243 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [0,2,0,0,0,0|2,0,0]=4 1244 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,2,0,0,0,0|2,0,0]=4 1245 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [0,2,0,0,0,0|1,0,0]=3 1246 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,2,0,0,0,0|2,0,0]=4 1247 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.18 CC(C)NC1=NC=CC=N1 C75128 [0,2,0,0,0,0|2,0,0]=4 1249 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,2,0,0,0,0|1,0,0]=3 1250 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [0,2,0,0,0,0|1,1,0]=4 1251 B10R1.20 C#CC1=C(CO)C=CC=N1 W12663 [0,2,0,0,0,0|1,0,1]=4 1252 B10R1.20 C#CC1=CC=CN=C1OC C71657 [0,2,0,0,0,0|0,0,0]=2 1253 B10R1.20 CNC1=C(C#N)C=CC=C1 C77665 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.20 CNC1=C(C#N)C=CN=N1 32475 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [0,2,0,0,0,0|1,0,0]=3 1257 B10R1.20 CNC1=C(CCl)C=CC=C1 D93985 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.20 COC1=C(C#N)C=CN=C1 W19146 [0,2,0,0,0,0|2,0,0]=4 1259 B10R1.20 COC1=C(C#N)C=NC=C1 64002 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [0,2,0,0,0,0|0,0,0]=2 1262 B10R1.20 COC1=C(CBr)C=NC=C1 79192 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.20 COC1=C(CN)C=CN=C1 C73553 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.20 COC1=CC=CN=C1C=O P10318 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.20 COC1=CC=CN=C1CBr O10505 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.20 COC1=CC=CN=C1CCl 60117 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.20 COC1=CN=CN=C1OC H10157 [0,2,0,0,0,0|1,0,0]=3 1271 B10R1.20 COC1=NC=CC=C1CN 37576 [0,2,0,0,0,0|0,0,0]=2 1272 B10R1.20 COC1=NC=CC=C1NN D84114 [0,2,0,0,0,0|0,0,0]=2 1273 B10R1.20 COC1=NC=CN=C1NN C74005 [0,2,0,0,0,0|1,0,0]=3 1274 B10R1.20 COC1=NC=CN=C1OC 21131 [0,2,0,0,0,0|1,0,0]=3 1275 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [0,2,0,0,0,0|1,1,0]=4 1276 B10R1.20 N#CC1=C(CBr)C=CC=N1 87640 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.20 N#CC1=CC=CN=C1CCl A51113 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.20 OCC1=CC=CN=C1CO 75308 [0,2,0,0,0,0|2,0,0]=4 1279 B10R1.20 OCC1=CC=CN=C1CO S11918 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.245 CCC1=C(Br)C=CC=C1Br 86463 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.245 CNC1=C(Br)C=CC=C1N C71480 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.245 CNC1=C(F)C=CC=C1F C77614 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.245 COC1=C(Br)C=CC=C1C F52555 [0,2,0,0,0,0|1,0,0]=3 1284 B10R1.245 COC1=C(Br)C=CN=C1C A11666 [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.245 COC1=C(Br)C=NC=C1N I11194 [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.245 COC1=C(Cl)C=CC=C1O 95656 [0,2,0,0,0,0|1,0,0]=3 1287 B10R1.245 COC1=C(Cl)C=CN=C1N F51098 [0,2,0,0,0,0|2,0,0]=4 1288 B10R1.245 COC1=C(N)C=CC=C1N A12416 [0,2,0,0,0,0|1,0,0]=3 1289 B10R1.245 COC1=C(N)C=CN=C1Cl F17572 [0,2,0,0,0,0|2,0,0]=4 1290 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [0,1,0,1,0,0|2,0,0]=4 1291 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [0,1,0,1,0,0|2,0,0]=4 1292 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,1,0,1,0,0|2,0,0]=4 1293 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [0,1,0,1,0,0|1,0,1]=4 1294 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [0,1,0,1,0,0|1,0,1]=4 1295 B10R2.7 C1=CN=C2C=NNC2=C1 20297 [0,1,0,1,0,0|2,0,0]=4 1296 B10R2.7 C1=CN=C2CCNC2=C1 70854 [0,1,0,1,0,0|1,0,0]=3 1297 B10R2.7 C1=CN=C2CNCC2=C1 83068 [0,1,0,1,0,0|1,0,0]=3 1298 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [0,1,0,1,0,0|1,0,0]=3 1299 B10R2.7 C1=CN=C2CNCC2=N1 50637 [0,1,0,1,0,0|2,0,0]=4 1300 B10R2.7 C1=CN=C2N=NNC2=C1 I10125 [0,1,0,1,0,0|2,0,0]=4 1301 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [0,1,0,1,0,0|0,0,1]=3 1302 B10R2.7 C1=CN=C2OC=NC2=C1 32393 [0,1,0,1,0,0|0,0,1]=3 1303 B10R2.7 C1=NC=C2CNCC2=N1 27191 [0,1,0,1,0,0|2,0,0]=4 1304 B10R2.7 C1=NC=C2CNCC2=N1 83076 [0,1,0,1,0,0|2,0,0]=4 1305 B10R2.7 C1=NC=C2CNCC2=N1 SC2921 [0,1,0,1,0,0|2,0,0]=4 1306 B6R1.2 BrC1=NC=CO1 N12756 [1,0,0,0,1,0|2,0,0]=4 1307 B6R1.2 BrC1=NSC=C1 27111 [1,0,0,0,1,0|2,0,0]=4 1308 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,1,0|0,0,1]=3 1309 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,1,0|1,0,0]=3 1310 B6R1.2 CC1=CNN=C1 AT22811 [1,0,0,0,1,0|2,0,0]=4 1311 B6R1.2 CC1=CNN=N1 27289 [1,0,0,0,1,0|2,0,0]=4 1312 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,1,0|1,0,0]=3 1313 B6R1.2 CC1=NNN=C1 D94600 [1,0,0,0,1,0|2,0,0]=4 1314 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,1,0|1,0,0]=3 1315 B6R1.2 ClC1=NC=CN1 71370 [1,0,0,0,1,0|2,0,0]=4 1316 B6R1.2 IC1=NC=CO1 38371 [1,0,0,0,1,0|2,0,0]=4 1317 B6R1.2 NC1=CNC=C1 D82737 [1,0,0,0,1,0|2,0,0]=4 1318 B6R1.2 NC1=CNC=N1 21115 [1,0,0,0,1,0|2,0,0]=4 1319 B6R1.2 NC1=CNC=N1 52247 [1,0,0,0,1,0|2,0,0]=4 1320 B6R1.2 NC1=CSC=C1 D77326 [1,0,0,0,1,0|2,0,0]=4 1321 B6R1.2 OC1=CNN=C1 76131 [1,0,0,0,1,0|2,0,0]=4 1322 B6R1.2 OC1=NC=CS1 25638 [1,0,0,0,1,0|1,0,0]=3 1323 B6R1.2 OC1=NC=NN1 D82632 [1,0,0,0,1,0|2,0,0]=4 1324 B6R1.2 OC1=NOC=C1 W15437 [1,0,0,0,1,0|1,0,0]=3 1325 B6R1.2 SC1=CC=CS1 23061 [1,0,0,0,1,0|1,1,0]=4 1326 B6R1.2 SC1=CSC=C1 79297 [1,0,0,0,1,0|1,1,0]=4