0 B8R1.2 BrCC1=CN=CN=C1 O11299 [0,0,0,0,0,0|4,0,0]=4 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|4,0,0]=4 4 B8R1.2 C#CC1=CN=CN=C1 25642 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 C#CC1=NC=CN=C1 P11646 [0,0,0,0,0,0|1,0,1]=2 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|3,0,0]=3 8 B8R1.2 CNC1=CN=NC=C1 A10648 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 CNC1=NC=NC=C1 W10133 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 COC1=NC=NC=C1 T72699 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 COC1=NCCCC1 D87703 [0,0,0,0,0,0|1,0,3]=4 12 B8R1.2 ClCC1=NC=CN=C1 37060 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 ClCC1=NN=CC=C1 37063 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.2 N#CC1=CN=NC=C1 37055 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 N#CC1=NC=CC=C1 D77869 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 N#CC1=NN=CC=C1 82702 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 NCC1=CC=CN=N1 36976 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 NCC1=CC=CN=N1 P15536 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 NCC1=CN=CN=C1 26963 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 NCC1=CN=NC=C1 27223 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 NCC1=CN=NC=C1 36975 [0,0,0,0,0,0|4,0,0]=4 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|3,0,0]=3 26 B8R1.2 NNC1=CN=CN=C1 AT18412 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.2 NNC1=NC=NC=C1 N12626 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.2 O=CC1=NC=NC=C1 26359 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.2 OCC1=CN=NC=C1 37054 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.2 SCC1=CN=CC=C1 F18343 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.3 BrC1=CN=NC=C1 85151 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 BrC1=NC=NC=C1 54642 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 BrC1=NC=NC=C1 54644 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.3 CC1=NC=CN=N1 C74235 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 ClC1=CN=CC=C1 P19758 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 ClC1=NN=CC=C1 57588 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.3 NC1=CC=CC=C1 T70935 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.3 NC1=CC=CC=C1 T71037 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.3 O=C1C=CNN=C1 D87946 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 SC1=NC=CN=C1 F16108 [1,0,0,0,0,0|0,1,0]=2 43 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 C#CC1=CN=C(Br)C=C1 68603 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.1 C#CC1=CN=C(Cl)C=C1 83979 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.1 C#CC1=CN=C(O)C=C1 O11429 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.1 C#CC1=NC=C(Br)C=C1 84355 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [0,1,0,0,0,0|1,0,1]=3 50 B9R1.1 C#CC1=NC=C(Cl)C=C1 84384 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.1 C#CC1=NC=C(Cl)C=C1 N13106 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.1 C#CC1=NC=C(N)C=C1 D83980 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.1 CC1=CN=C(CO)C=N1 26144 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 CCC1=CN=C(N)C=N1 27455 [0,1,0,0,0,0|1,0,0]=2 67 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 CCC1=NC=C(N)C=N1 81903 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 CNC1=NC=C(N)C=N1 AT18272 [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|3,0,0]=4 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(I)C=N1 W11580 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.1 COC1=NC=C(N)C=N1 35336 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.1 COC1=NC=C(N)N=C1 24331 [0,1,0,0,0,0|0,0,0]=1 87 B9R1.1 COC1=NC=C(O)C=N1 C16680 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.1 COC1=NN=C(I)C=C1 C15088 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.1 CSC1=CN=C(Cl)N=C1 W16220 [0,1,0,0,0,0|2,1,0]=4 90 B9R1.1 CSC1=NC=C(Cl)C=N1 63237 [0,1,0,0,0,0|2,1,0]=4 91 B9R1.1 CSC1=NC=C(N)C=N1 31929 [0,1,0,0,0,0|2,1,0]=4 92 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.1 N#CC1=NC=C(I)C=C1 78743 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.1 N#CC1=NC=C(O)C=C1 24955 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.1 NNC1=CN=C(Cl)C=C1 H10944 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.1 NNC1=CN=C(F)C=C1 73802 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.1 NNC1=NC=C(F)C=C1 W17746 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.2 C#CC1=CC(Br)=CN=C1 50294 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.2 C#CC1=CC(Cl)=CN=C1 C77589 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.2 C#CC1=CC=CC(Br)=N1 D82337 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.2 C#CC1=CC=CC(Cl)=N1 AT12436 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.2 C#CC1=CC=CC(F)=N1 C71915 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.2 C#CC1=NC=CC(N)=C1 72871 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.2 C#CC1=NC=CC(N)=C1 C76101 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.2 CC1=CC(C#N)=CN=C1 71242 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.2 CNC1=CC=NC(Br)=N1 D80192 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.2 CNC1=NC(C)=CN=C1 74811 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.2 CNC1=NC=CC(Cl)=N1 24763 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.2 CNC1=NC=CC(N)=C1 27435 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.2 COC1=CC(Br)=NC=N1 C76202 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.2 COC1=CC(Cl)=CN=N1 E70128 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.2 COC1=CC(F)=NC=N1 D83389 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.2 COC1=NC(N)=CN=C1 24364 [0,1,0,0,0,0|0,0,0]=1 161 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.2 COC1=NC=CC(Br)=N1 25350 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.2 COC1=NC=NC(C)=C1 H10028 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.2 COC1=NC=NC(Cl)=N1 C71416 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.2 CSC1=CC(Br)=NC=N1 C71732 [0,1,0,0,0,0|2,1,0]=4 166 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [0,1,0,0,0,0|2,1,0]=4 167 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,1,0,0,0,0|2,1,0]=4 168 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [0,1,0,0,0,0|1,1,0]=3 169 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [0,1,0,0,0,0|1,1,0]=3 170 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [0,1,0,0,0,0|0,1,0]=2 171 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.2 N#CC1=CC(F)=CN=C1 82241 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.2 N#CC1=CN=CC(Br)=N1 26949 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.2 N#CC1=NC(N)=CN=C1 24341 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.2 N#CC1=NC=CC(O)=C1 C75263 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.2 NC1=CC(CO)=CN=C1 20770 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [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|3,0,0]=4 185 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,1,0,0,0,0|1,0,0]=2 218 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,1,0,0,0,0|1,0,0]=2 224 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,1,0,0,0,0|1,1,0]=3 225 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.6 O=C([O-])C1=NN=CC=N1 67095 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,1,0,0,0,0|2,1,0]=4 228 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,1,0,0,0,0|2,0,0]=3 229 B9R1.8 CNCC1=CN=NC=C1 P16258 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.8 CNCC1=NC=CC=N1 W11490 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.8 N#CCC1=NC=CN=C1 50051 [0,1,0,0,0,0|1,0,1]=3 232 B9R1.8 NCCC1=NC=CC=N1 P15951 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.8 NCCC1=NC=CN=C1 AR1061 [0,1,0,0,0,0|1,0,0]=2 234 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.8 NNCC1=CC=CN=C1 78930 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.8 NNCC1=NC=CC=C1 78929 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.8 NNCC1=NC=CN=C1 37235 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.8 NOCC1=CN=CC=C1 AC6038 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.8 OCCC1=CN=CN=C1 27368 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.15 C#CC1=C(F)C=CC=N1 F21381 [0,1,0,0,0,0|2,0,1]=4 243 B9R1.15 C#CC1=C(N)C=CN=C1 C71943 [0,1,0,0,0,0|2,0,1]=4 244 B9R1.15 C#CC1=CC=CN=C1F C77200 [0,1,0,0,0,0|2,0,1]=4 245 B9R1.15 C#CC1=CC=CN=C1O CS1686 [0,1,0,0,0,0|2,0,1]=4 246 B9R1.15 C#CC1=NC=CN=C1C 79091 [0,1,0,0,0,0|1,0,1]=3 247 B9R1.15 C=CC1=CC=CN=C1Br 83953 [0,1,0,0,0,0|2,0,1]=4 248 B9R1.15 C=CC1=CC=CN=C1C P11579 [0,1,0,0,0,0|2,0,1]=4 249 B9R1.15 CC1=C(C#N)C=CC=N1 AB2931 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.15 CC1=C(CO)C=NC=C1 38669 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.15 CC1=CC=CN=C1CN C72913 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.15 CC1=NC=CC=C1CN 72802 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.15 CC1=NC=CC=C1CN AB7634 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.15 CC1=NC=CN=C1C=O 30985 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.15 CC1=NC=CN=C1CCl P11784 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.15 CC1=NC=CN=C1CN E70300 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.15 CC1=NC=CN=C1CN P19746 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.15 CC1=NC=CN=C1CO P10784 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.15 CC1=NC=CN=C1NN BL010270 [0,1,0,0,0,0|2,0,0]=3 263 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.15 CCC1=CC=CN=C1Br D80252 [0,1,0,0,0,0|2,0,0]=3 268 B9R1.15 CCC1=CC=CN=C1N 55791 [0,1,0,0,0,0|2,0,0]=3 269 B9R1.15 CCC1=CC=NN=C1Cl S11385 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.15 CCC1=NC=CN=C1N RB3385 [0,1,0,0,0,0|1,0,0]=2 271 B9R1.15 CCC1=NC=CNC1=O S12194 [0,1,0,0,0,0|1,0,1]=3 272 B9R1.15 CNC1=C(Br)C=NC=N1 27470 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.15 CNC1=CC=CN=C1N 94808 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.15 CNC1=NC=CC=C1N 72351 [0,1,0,0,0,0|2,0,0]=3 277 B9R1.15 CNC1=NC=CN=C1N 25161 [0,1,0,0,0,0|1,0,0]=2 278 B9R1.15 COC1=C(Br)C=CN=C1 26564 [0,1,0,0,0,0|1,0,0]=2 279 B9R1.15 COC1=C(Br)C=NC=N1 H10144 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.15 COC1=C(I)C=CN=C1 D82954 [0,1,0,0,0,0|1,0,0]=2 281 B9R1.15 COC1=C(I)C=NC=N1 C74109 [0,1,0,0,0,0|2,0,0]=3 282 B9R1.15 COC1=C(N)C=CN=C1 35474 [0,1,0,0,0,0|1,0,0]=2 283 B9R1.15 COC1=C(O)C=NC=C1 79066 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.15 COC1=CNC=NC1=O H10327 [0,1,0,0,0,0|2,0,0]=3 285 B9R1.15 COC1=NC=CC=C1C C73664 [0,1,0,0,0,0|1,0,0]=2 286 B9R1.15 COC1=NC=CN=C1Br 27717 [0,1,0,0,0,0|0,0,0]=1 287 B9R1.15 COC1=NC=NC=C1N 24306 [0,1,0,0,0,0|2,0,0]=3 288 B9R1.15 COC1=NC=NC=C1N 36696 [0,1,0,0,0,0|2,0,0]=3 289 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [0,1,0,0,0,0|1,1,0]=3 290 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [0,1,0,0,0,0|1,1,0]=3 291 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.15 FC1=CC=CN=C1CBr 38126 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.15 FC1=CC=CN=C1CCl AC1446 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.15 N#CC1=C(Br)C=CN=C1 55794 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.15 N#CC1=C(I)C=CC=N1 CL0132 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.15 NC1=C(CO)C=NC=C1 28348 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.15 NC1=CC=CN=C1C=O 80155 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.15 NC1=CC=CN=C1CO H10562 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.15 NC1=NC=CN=C1C=O 27460 [0,1,0,0,0,0|2,0,0]=3 303 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.15 NCC1=C(F)C=CC=N1 37501 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.15 NCC1=C(F)C=CC=N1 71993 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.15 NCC1=CC=CN=C1Br D82416 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.15 NCC1=CC=CN=C1Cl 51113 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.15 NCC1=CC=CN=C1N 89358 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.15 NCC1=CC=CN=C1O 55767 [0,1,0,0,0,0|3,0,0]=4 315 B9R1.15 NCC1=NC=CC=C1N AC4283 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.15 NCC1=NC=CN=C1N AB3037 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.15 NNC1=C(F)C=CC=N1 F20903 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.15 O=CC1=NC=CN=C1Br P14054 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.15 OCC1=NC=CN=C1Cl 80497 [0,1,0,0,0,0|2,0,0]=3 325 B7R0.3 C=CCCC(=O)OC AT23749 [0,0,1,0,0,0|2,0,1]=4 326 B7R1.1 BrCC1=CC=NO1 33595 [0,0,0,0,1,0|3,0,0]=4 327 B7R1.1 BrCC1=CN=CO1 92893 [0,0,0,0,1,0|3,0,0]=4 328 B7R1.1 BrCC1=COC=N1 70925 [0,0,0,0,1,0|3,0,0]=4 329 B7R1.1 BrCC1=CON=C1 95088 [0,0,0,0,1,0|3,0,0]=4 330 B7R1.1 BrCC1=CSC=N1 73558 [0,0,0,0,1,0|3,0,0]=4 331 B7R1.1 BrCC1=NC=CO1 92941 [0,0,0,0,1,0|3,0,0]=4 332 B7R1.1 BrCC1=NC=CS1 73557 [0,0,0,0,1,0|3,0,0]=4 333 B7R1.1 BrCC1=NOC=C1 71749 [0,0,0,0,1,0|3,0,0]=4 334 B7R1.1 C#CC1=CNN=C1 P12226 [0,0,0,0,1,0|2,0,1]=4 335 B7R1.1 C=CC1=CC=CS1 C10114 [0,0,0,0,1,0|2,0,1]=4 336 B7R1.1 C=CC1=CN=CN1 D82417 [0,0,0,0,1,0|1,0,2]=4 337 B7R1.1 C=CC1=NNC=C1 P13173 [0,0,0,0,1,0|2,0,1]=4 338 B7R1.1 CCC1=CNN=C1 72604 [0,0,0,0,1,0|2,0,0]=3 339 B7R1.1 CCC1=NN=CO1 C10407 [0,0,0,0,1,0|3,0,0]=4 340 B7R1.1 CCN1C=NC=N1 29522 [0,0,0,0,1,0|2,0,0]=3 341 B7R1.1 CNC1=NC=CO1 71780 [0,0,0,0,1,0|2,0,0]=3 342 B7R1.1 CNC1=NC=CS1 26158 [0,0,0,0,1,0|2,0,0]=3 343 B7R1.1 CNC1=NNC=C1 72540 [0,0,0,0,1,0|2,0,0]=3 344 B7R1.1 CNC1=NOC=C1 72015 [0,0,0,0,1,0|2,0,0]=3 345 B7R1.1 CNC1=NOC=C1 72539 [0,0,0,0,1,0|2,0,0]=3 346 B7R1.1 COC1=CCCC1 D93350 [0,0,0,0,1,0|1,0,2]=4 347 B7R1.1 COC1=CNN=C1 79311 [0,0,0,0,1,0|1,0,0]=2 348 B7R1.1 COC1=NNC=C1 D79536 [0,0,0,0,1,0|1,0,0]=2 349 B7R1.1 CSC1=CN=CN1 W17049 [0,0,0,0,1,0|0,1,1]=3 350 B7R1.1 CSC1=CNN=C1 W10958 [0,0,0,0,1,0|1,1,0]=3 351 B7R1.1 CSC1=NC=CN1 AC1458 [0,0,0,0,1,0|0,1,1]=3 352 B7R1.1 CSC1=NC=CO1 O10533 [0,0,0,0,1,0|1,1,0]=3 353 B7R1.1 ClCC1=CC=CS1 79790 [0,0,0,0,1,0|3,0,0]=4 354 B7R1.1 ClCC1=CC=NO1 33348 [0,0,0,0,1,0|3,0,0]=4 355 B7R1.1 ClCC1=CN=CO1 RB3366 [0,0,0,0,1,0|3,0,0]=4 356 B7R1.1 ClCC1=COC=N1 D97597 [0,0,0,0,1,0|3,0,0]=4 357 B7R1.1 ClCC1=NC=CS1 BL005472 [0,0,0,0,1,0|3,0,0]=4 358 B7R1.1 ClCC1=NOC=C1 F13567 [0,0,0,0,1,0|3,0,0]=4 359 B7R1.1 N#CC1=CC=NO1 F30844 [0,0,0,0,1,0|3,0,0]=4 360 B7R1.1 N#CC1=COC=N1 28409 [0,0,0,0,1,0|3,0,0]=4 361 B7R1.1 N#CC1=CON=C1 S11668 [0,0,0,0,1,0|3,0,0]=4 362 B7R1.1 N#CC1=CSN=C1 83210 [0,0,0,0,1,0|3,0,0]=4 363 B7R1.1 N#CC1=NC=CO1 57346 [0,0,0,0,1,0|3,0,0]=4 364 B7R1.1 NCC1=CC=CN1 25931 [0,0,0,0,1,0|2,0,1]=4 365 B7R1.1 NCC1=CC=NO1 33343 [0,0,0,0,1,0|3,0,0]=4 366 B7R1.1 NCC1=CC=NO1 33364 [0,0,0,0,1,0|3,0,0]=4 367 B7R1.1 NCC1=CN=CS1 24148 [0,0,0,0,1,0|3,0,0]=4 368 B7R1.1 NCC1=CNC=C1 F12967 [0,0,0,0,1,0|2,0,1]=4 369 B7R1.1 NCC1=CNC=N1 26566 [0,0,0,0,1,0|2,0,1]=4 370 B7R1.1 NCC1=CNN=C1 37585 [0,0,0,0,1,0|3,0,0]=4 371 B7R1.1 NCC1=CNN=C1 37586 [0,0,0,0,1,0|3,0,0]=4 372 B7R1.1 NCC1=COC=N1 25090 [0,0,0,0,1,0|3,0,0]=4 373 B7R1.1 NCC1=CON=C1 55763 [0,0,0,0,1,0|3,0,0]=4 374 B7R1.1 NCC1=CSC=N1 24147 [0,0,0,0,1,0|3,0,0]=4 375 B7R1.1 NCC1=CSC=N1 Y14444 [0,0,0,0,1,0|3,0,0]=4 376 B7R1.1 NCC1=NC=CN1 C72548 [0,0,0,0,1,0|2,0,1]=4 377 B7R1.1 NCC1=NNC=C1 36190 [0,0,0,0,1,0|3,0,0]=4 378 B7R1.1 NCC1=NNC=N1 AC1019 [0,0,0,0,1,0|3,0,0]=4 379 B7R1.1 NCC1=NOC=C1 W10075 [0,0,0,0,1,0|3,0,0]=4 380 B7R1.1 NCC1=NOC=N1 72520 [0,0,0,0,1,0|3,0,0]=4 381 B7R1.1 NNC1=NC=CS1 C74550 [0,0,0,0,1,0|3,0,0]=4 382 B7R1.1 O=CC1=CC=C[Se]1 T72165 [0,0,0,0,1,0|3,0,0]=4 383 B7R1.1 O=CC1=CC=NS1 62852 [0,0,0,0,1,0|3,0,0]=4 384 B7R1.1 O=CC1=CCC=C1 77835 [0,0,0,0,1,0|3,0,0]=4 385 B7R1.1 O=CC1=CN=CO1 39069 [0,0,0,0,1,0|3,0,0]=4 386 B7R1.1 O=CC1=CON=C1 95893 [0,0,0,0,1,0|3,0,0]=4 387 B7R1.1 O=CC1=NOC=C1 P10400 [0,0,0,0,1,0|3,0,0]=4 388 B7R1.1 OCC1=CC=NO1 33580 [0,0,0,0,1,0|3,0,0]=4 389 B7R1.1 OCC1=CC=NS1 53001 [0,0,0,0,1,0|3,0,0]=4 390 B7R1.1 OCC1=CON=C1 73633 [0,0,0,0,1,0|3,0,0]=4 391 B7R1.1 OCC1=CSN=C1 83209 [0,0,0,0,1,0|3,0,0]=4 392 B7R1.1 OCC1=NNC=N1 83468 [0,0,0,0,1,0|3,0,0]=4 393 B7R1.1 OCC1=NNC=N1 F53081 [0,0,0,0,1,0|3,0,0]=4 394 B7R1.1 OCN1C=CN=C1 F11598 [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|2,0,0]=4 398 B6R1.1 C1=CC=NC=C1 T72767 [2,0,0,0,0,0|1,0,0]=3 399 B6R1.1 C1=CN=NC=C1 C75894 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.3 CC1=CC=C(C)N=N1 S11370 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.3 CC1=CN=C(Br)C=N1 88781 [1,1,0,0,0,0|0,0,0]=2 402 B8R1.3 CC1=CN=C(F)N=C1 F11686 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.3 CC1=CN=C(I)C=N1 W17940 [1,1,0,0,0,0|0,0,0]=2 404 B8R1.3 CC1=CN=C(N)C=N1 52044 [1,1,0,0,0,0|0,0,0]=2 405 B8R1.3 CC1=CN=C(N)N=C1 51196 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.3 CC1=CN=C(O)C=N1 84954 [1,1,0,0,0,0|0,0,0]=2 407 B8R1.3 CC1=NC=C(F)C=N1 O11437 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.3 CC1=NC=C(I)C=C1 C10582 [1,1,0,0,0,0|1,0,0]=3 409 B8R1.3 CC1=NC=C(O)C=N1 25911 [1,1,0,0,0,0|2,0,0]=4 410 B8R1.3 FC1=CN=C(Br)C=N1 Y10496 [1,1,0,0,0,0|1,0,0]=3 411 B8R1.3 IC1=CN=C(I)C=N1 I11480 [1,1,0,0,0,0|1,0,0]=3 412 B8R1.3 NC1=CC=C(O)C=C1 C75965 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.3 NC1=CN=C(N)C=N1 C14950 [1,1,0,0,0,0|1,0,0]=3 414 B8R1.3 NC1=CN=C(N)C=N1 F20076 [1,1,0,0,0,0|1,0,0]=3 415 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.3 NC1=NC=C(O)C=N1 24754 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.3 OC1=NC=C(F)C=N1 61070 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.4 CC1=CC(=S)NC=N1 C75430 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.4 CC1=CC=CC(I)=N1 S10876 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.4 CC1=CN=NC(=O)C1 78530 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.4 CC1=NC=CC(I)=C1 25628 [1,1,0,0,0,0|1,0,0]=3 422 B8R1.4 CC1=NC=CC(N)=N1 25050 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.4 ClC1=CC(I)=CN=C1 C76473 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.4 ClC1=CC(I)=NC=C1 O11208 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.4 ClC1=CN=CC(I)=N1 N11783 [1,1,0,0,0,0|1,0,0]=3 426 B8R1.4 FC1=CN=CC(Br)=N1 D82262 [1,1,0,0,0,0|1,0,0]=3 427 B8R1.4 IC1=CN=CC(I)=C1 83196 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.4 NC1=CC(N)=NC=C1 25421 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.4 NC1=CC(O)=CN=C1 24928 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.4 NC1=CC(O)=CN=C1 26279 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.4 NC1=CC=CC(I)=N1 76368 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.4 NC1=CN=CC(N)=C1 26714 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.4 NC1=CN=CC(N)=N1 30602 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.4 OC1=CC(F)=NC=C1 26765 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.4 OC1=CC=NC(Cl)=N1 29860 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [1,1,0,0,0,0|0,0,0]=2 437 B8R1.4 OC1=NC(S)=NN=C1 C75942 [1,1,0,0,0,0|1,0,0]=3 438 B8R1.4 OC1=NC=CC(Cl)=N1 78049 [1,1,0,0,0,0|2,0,0]=4 439 B8R1.4 OC1=NC=CC(F)=C1 22624 [1,1,0,0,0,0|1,0,0]=3 440 B8R1.4 SC1=CC(Br)=CN=C1 AT25650 [1,1,0,0,0,0|1,1,0]=4 441 B8R1.5 BrC1=C(I)C=NC=C1 C76998 [1,1,0,0,0,0|2,0,0]=4 442 B8R1.5 CC1=C(Cl)C=NC=N1 F17326 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.5 CC1=C(F)C=CN=C1 F19730 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.5 CC1=C(I)C=CC=N1 F19761 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.5 CC1=C(I)C=NC=C1 C74973 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.5 CC1=C(I)C=NC=N1 27820 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.5 CC1=CC=NN=C1Br N13316 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.5 CC1=CC=NN=C1Cl 38744 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.5 CC1=CN=CN=C1Br 27819 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.5 CC1=CN=CN=C1O 25833 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.5 CC1=NC=CN=C1Br 26975 [1,1,0,0,0,0|0,0,0]=2 452 B8R1.5 CC1=NC=NC=C1N 25415 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.5 CC1=NCCN=C1C N13379 [1,1,0,0,0,0|0,0,2]=4 454 B8R1.5 CC1=NNC=NC1=O D79535 [1,1,0,0,0,0|1,0,0]=3 455 B8R1.5 ClC1=CC=CN=C1I 68801 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.5 ClC1=NC=CN=C1Br C71707 [1,1,0,0,0,0|1,0,0]=3 457 B8R1.5 ClC1=NC=CN=C1I AC1564 [1,1,0,0,0,0|1,0,0]=3 458 B8R1.5 FC1=NC=CN=C1Br W17938 [1,1,0,0,0,0|1,0,0]=3 459 B8R1.5 NC1=C(O)C=CN=N1 D83804 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.5 NC1=C(S)C=CN=C1 AT18151 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.5 NC1=CC=CN=C1I RB1070 [1,1,0,0,0,0|2,0,0]=4 462 B8R1.5 NC1=NC=CN=C1Br 27472 [1,1,0,0,0,0|1,0,0]=3 463 B8R1.5 NC1=NC=CN=C1I 27241 [1,1,0,0,0,0|1,0,0]=3 464 B8R1.5 O=C1NC=NC=C1O 25860 [1,1,0,0,0,0|2,0,0]=4 465 B8R1.5 O=C1NC=NC=C1O C73082 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.5 OC1=C(Cl)C=NN=C1 F10592 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.5 OC1=C(I)C=CN=C1 25190 [1,1,0,0,0,0|1,0,0]=3 469 B8R1.5 OC1=C(I)C=NC=N1 25919 [1,1,0,0,0,0|2,0,0]=4 470 B8R1.5 OC1=C(O)C=NC=C1 C14003 [1,1,0,0,0,0|1,0,0]=3 471 B8R1.5 OC1=NC=CN=C1Br A11981 [1,1,0,0,0,0|0,0,0]=2 472 B8R1.5 OC1=NC=CN=C1O C74124 [1,1,0,0,0,0|0,0,0]=2 473 B8R1.5 SC1=C(Br)C=NC=C1 C12894 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.1 CCC1=CC(N)=NO1 71263 [0,1,0,0,1,0|2,0,0]=4 475 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,1,0,0,1,0|2,0,0]=4 476 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,1,0,0,1,0|2,0,0]=4 477 B8R1.1 CCC1=CN=C(N)S1 84403 [0,1,0,0,1,0|2,0,0]=4 478 B8R1.1 CCN1C=C(O)C=N1 AT11883 [0,1,0,0,1,0|2,0,0]=4 479 B8R1.1 CNC1=CN(C)N=C1 S10801 [0,1,0,0,1,0|2,0,0]=4 480 B8R1.1 CNC1=CN(C)N=C1 W19310 [0,1,0,0,1,0|2,0,0]=4 481 B8R1.1 CNC1=NC(Br)=CS1 A11743 [0,1,0,0,1,0|2,0,0]=4 482 B8R1.1 CNC1=NC(C)=NS1 72649 [0,1,0,0,1,0|2,0,0]=4 483 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,1,0,0,1,0|2,0,0]=4 484 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,0,1,0|1,0,1]=4 485 B8R1.1 COC1=NC=C(Br)S1 78090 [0,1,0,0,1,0|1,0,0]=3 486 B8R1.1 COC1=NN=C(N)S1 F20582 [0,1,0,0,1,0|2,0,0]=4 487 B8R1.1 COC1=NN=C(O)S1 Y10758 [0,1,0,0,1,0|2,0,0]=4 488 B8R1.1 COC1=NOC(N)=C1 D82563 [0,1,0,0,1,0|1,0,0]=3 489 B8R1.1 CSC1=CN=C(N)S1 C77378 [0,1,0,0,1,0|1,1,0]=4 490 B8R1.1 CSC1=NNC(N)=C1 75644 [0,1,0,0,1,0|1,1,0]=4 491 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,1,0,0,1,0|2,0,0]=4 492 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,1,0,0,1,0|2,0,0]=4 493 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,1,0,0,1,0|2,0,0]=4 494 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,1,0,0,1,0|2,0,0]=4 495 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,1,0,0,1,0|2,0,0]=4 496 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,1,0,0,1,0|2,0,0]=4 497 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,1,0,0,1,0|2,0,0]=4 498 B8R1.7 CC(C)C1=CC=CO1 81450 [0,1,0,0,1,0|2,0,0]=4 499 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,1,0,0,1,0|1,0,1]=4 500 B8R1.7 CC(C)C1=CNN=C1 D78878 [0,1,0,0,1,0|2,0,0]=4 501 B8R1.7 CN(C)C1=NC=CS1 N10099 [0,1,0,0,1,0|2,0,0]=4 502 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,1,0,0,1,0|2,0,0]=4 503 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,1,0,0,1,0|2,0,0]=4 504 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,1,0,0,1,0|2,0,0]=4 505 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,1,0,0,1,0|2,0,0]=4 506 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,1,0,0,1,0|2,0,0]=4 507 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,1,0,0,1,0|2,0,0]=4 508 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,1,0,0,1,0|2,0,0]=4 509 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,1,0,0,1,0|2,0,0]=4 510 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,1,0,0,1,0|1,0,1]=4 511 B8R1.7 C[C@H](N)C1=CNN=C1 98132 [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|1,0,1]=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=CN=CS1 AT14805 [0,1,0,0,1,0|2,0,0]=4 522 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,1,0,0,1,0|1,0,1]=4 523 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,1,0,0,1,0|2,0,0]=4 524 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,1,0,0,1,0|2,0,0]=4 525 B8R1.8 BrCCC1=CSC=C1 F20032 [0,1,0,0,1,0|2,0,0]=4 526 B8R1.8 BrCCN1C=CC=N1 71462 [0,1,0,0,1,0|2,0,0]=4 527 B8R1.8 BrCCN1N=CC=N1 C72075 [0,1,0,0,1,0|2,0,0]=4 528 B8R1.8 CCCC1=NNC=C1 C16284 [0,1,0,0,1,0|2,0,0]=4 529 B8R1.8 CCOC1=NNC=C1 AT14799 [0,1,0,0,1,0|1,0,0]=3 530 B8R1.8 CNCC1=CC=NO1 27030 [0,1,0,0,1,0|2,0,0]=4 531 B8R1.8 CNCC1=CNC=N1 AT15460 [0,1,0,0,1,0|1,0,1]=4 532 B8R1.8 CNCC1=COC=C1 AC5678 [0,1,0,0,1,0|2,0,0]=4 533 B8R1.8 CNCC1=NNC=C1 33350 [0,1,0,0,1,0|2,0,0]=4 534 B8R1.8 COCC1=CN=CN1 AC8003 [0,1,0,0,1,0|0,0,1]=3 535 B8R1.8 COCC1=CNN=C1 P18875 [0,1,0,0,1,0|1,0,0]=3 536 B8R1.8 ClCCC1=CNN=C1 D95803 [0,1,0,0,1,0|2,0,0]=4 537 B8R1.8 ClCCN1C=CN=C1 70870 [0,1,0,0,1,0|2,0,0]=4 538 B8R1.8 ClCCN1C=NC=N1 29832 [0,1,0,0,1,0|2,0,0]=4 539 B8R1.8 NCCC1=CC=CN1 31556 [0,1,0,0,1,0|1,0,1]=4 540 B8R1.8 NCCC1=CC=CN1 F10331 [0,1,0,0,1,0|1,0,1]=4 541 B8R1.8 NCCC1=CSC=C1 P10092 [0,1,0,0,1,0|2,0,0]=4 542 B8R1.8 NCCC1=NC=CN1 F18351 [0,1,0,0,1,0|1,0,1]=4 543 B8R1.8 NCCC1=NC=CS1 70863 [0,1,0,0,1,0|2,0,0]=4 544 B8R1.8 NCCC1=NNC=C1 AC1362 [0,1,0,0,1,0|2,0,0]=4 545 B8R1.8 NCCN1C=CC=N1 28356 [0,1,0,0,1,0|2,0,0]=4 546 B8R1.8 NCCN1C=CN=C1 30762 [0,1,0,0,1,0|2,0,0]=4 547 B8R1.8 NCCN1C=NC=N1 28092 [0,1,0,0,1,0|2,0,0]=4 548 B8R1.8 NCCN1N=CC=N1 W16247 [0,1,0,0,1,0|2,0,0]=4 549 B8R1.8 OCCC1=CC=CN1 AB10351 [0,1,0,0,1,0|1,0,1]=4 550 B8R1.8 OCCC1=CC=CO1 W10532 [0,1,0,0,1,0|2,0,0]=4 551 B8R1.8 OCCC1=COC=C1 D93026 [0,1,0,0,1,0|2,0,0]=4 552 B8R1.8 OCCC1=NNC=C1 22974 [0,1,0,0,1,0|2,0,0]=4 553 B8R1.8 OCCN1C=NC=N1 F19895 [0,1,0,0,1,0|2,0,0]=4 554 B8R1.11 CCC1=C(C)N=CS1 60935 [0,1,0,0,1,0|2,0,0]=4 555 B8R1.11 CCC1=CNN=C1C AC8755 [0,1,0,0,1,0|2,0,0]=4 556 B8R1.11 CCC1=NNC=C1Br 98406 [0,1,0,0,1,0|2,0,0]=4 557 B8R1.11 CCN1C=CN=C1Br AT15593 [0,1,0,0,1,0|2,0,0]=4 558 B8R1.11 COC1=NNC=C1I F16206 [0,1,0,0,1,0|1,0,0]=3 559 B8R1.11 COC1=NON=C1N F20171 [0,1,0,0,1,0|1,0,0]=3 560 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.1 CCOC1=CN=C(Br)C=N1 52691 [0,2,0,0,0,0|0,0,0]=2 562 B10R1.1 CCOC1=CN=C(Br)N=C1 38793 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.1 COCC1=CC=C(O)C=C1 63646 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.1 COCC1=CN=C(Cl)N=C1 W10973 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.1 COCC1=NC=C(Br)C=N1 P14919 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.3 C#CC1=CN=C(OC)N=C1 AB10272 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.3 C#CC1=NC=C(OC)C=C1 D84302 [0,2,0,0,0,0|1,0,0]=3 572 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|2,0,0]=4 574 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.3 COC1=CN=C(C#N)N=C1 39271 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [0,2,0,0,0,0|0,0,0]=2 577 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.3 COC1=CN=C(CCl)C=N1 F30446 [0,2,0,0,0,0|0,0,0]=2 580 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.3 COC1=CN=C(CO)N=C1 F30447 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [0,2,0,0,0,0|1,0,0]=3 583 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.3 COC1=NC=C(CN)C=N1 P10610 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.3 COC1=NC=C(CO)C=N1 P11192 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.3 COC1=NC=C(CO)N=C1 F30445 [0,2,0,0,0,0|0,0,0]=2 587 B10R1.3 COC1=NC=C(NN)C=C1 F13050 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.3 COC1=NN=C(CO)C=C1 P11745 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.3 COC1=NN=C(OC)C=C1 C75238 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,2,0,0,0,0|1,0,0]=3 600 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C15764 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.13 CN(C)C1=CN=C(N)C=C1 N10123 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.13 NC1=CN=C(C(F)F)C=N1 D84905 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.25 CC1=C(C#N)N=CC(Cl)=N1 BL010403 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.25 CC1=NC(N)=CN=C1C#N BL010402 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.25 CCC1=NC=C(Br)C=C1N 38360 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.25 CCC1=NC=C(Cl)N=C1Cl C72268 [0,2,0,0,0,0|1,0,0]=3 632 B10R1.25 CNC1=NC=C(Br)C=C1N C77013 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.25 COC1=C(Br)C=C(Cl)N=C1 S10226 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.25 COC1=C(C)N=C(C)N=C1 O11463 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.25 COC1=C(C)N=C(Cl)N=C1 72823 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.25 COC1=C(C)N=C(N)N=C1 FD10682 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.25 COC1=C(Cl)C=C(I)C=C1 F15482 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.25 COC1=C(Cl)C=C(N)N=C1 37736 [0,2,0,0,0,0|1,0,0]=3 642 B10R1.25 COC1=C(Cl)N=C(I)C=C1 72074 [0,2,0,0,0,0|1,0,0]=3 643 B10R1.25 COC1=C(F)C=C(N)C=N1 27254 [0,2,0,0,0,0|1,0,0]=3 644 B10R1.25 COC1=C(F)N=C(Br)C=C1 CS1206 [0,2,0,0,0,0|1,0,0]=3 645 B10R1.25 COC1=C(I)C=C(Br)C=N1 C75707 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.25 COC1=C(I)C=C(Cl)N=C1 S10146 [0,2,0,0,0,0|1,0,0]=3 647 B10R1.25 COC1=C(I)C=C(Cl)N=N1 S11536 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [0,2,0,0,0,0|1,0,0]=3 649 B10R1.25 COC1=C(N)N=C(Cl)C=N1 C91504 [0,2,0,0,0,0|0,0,0]=2 650 B10R1.25 COC1=C(N)N=C(F)C=C1 D70935 [0,2,0,0,0,0|1,0,0]=3 651 B10R1.25 COC1=CC=C(Br)N=C1Br 79976 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.25 COC1=CC=C(C)N=C1I F30133 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.25 COC1=CC=C(Cl)N=C1Br C72025 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.25 COC1=CC=C(Cl)N=C1Cl 81824 [0,2,0,0,0,0|1,0,0]=3 656 B10R1.25 COC1=CC=C(Cl)N=C1I 82334 [0,2,0,0,0,0|1,0,0]=3 657 B10R1.25 COC1=CC=C(N)N=C1Cl F19661 [0,2,0,0,0,0|1,0,0]=3 658 B10R1.25 COC1=CN=C(Br)C=C1Cl F16734 [0,2,0,0,0,0|1,0,0]=3 659 B10R1.25 COC1=CN=C(Br)C=C1N AC1554 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.25 COC1=CN=C(Br)C=C1O AT23971 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.25 COC1=CN=C(C)N=C1Cl F30537 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.25 COC1=CN=C(Cl)C=C1N C71879 [0,2,0,0,0,0|1,0,0]=3 663 B10R1.25 COC1=CN=C(N)NC1=O 28170 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.25 COC1=CNC(=O)C=C1Br W15670 [0,2,0,0,0,0|1,0,1]=4 665 B10R1.25 COC1=NC=C(Cl)C=C1N E70381 [0,2,0,0,0,0|1,0,0]=3 666 B10R1.25 COC1=NC=C(Cl)N=C1Cl W12644 [0,2,0,0,0,0|0,0,0]=2 667 B10R1.25 COC1=NC=C(F)C=C1C C76918 [0,2,0,0,0,0|1,0,0]=3 668 B10R1.25 COC1=NC=C(F)C=C1N C71761 [0,2,0,0,0,0|1,0,0]=3 669 B10R1.25 COC1=NC=C(F)C=C1O S10276 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.25 COC1=NN=C(Cl)C=C1C C77016 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.25 COC1=NN=C(Cl)C=C1N P10109 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.25 CSC1=C(F)N=C(F)C=C1 D79861 [0,2,0,0,0,0|1,1,0]=4 673 B10R1.25 CSC1=NC=C(Cl)N=C1Cl 38290 [0,2,0,0,0,0|0,1,0]=3 674 B10R1.25 N#CC1=C(N)N=C(Cl)C=N1 D79757 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.25 N#CC1=NC=C(N)N=C1Cl W17942 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.25 NNC1=C(Cl)N=C(Br)C=N1 BL010274 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.25 O=CC1=NC=C(Cl)N=C1Cl H10986 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.176 CC1=C(N)N=CC(C#N)=N1 BL010404 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.176 CC1=NC(C#N)=CN=C1Cl BL010405 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 C72403 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.176 COC1=CC(Br)=C(C)C=N1 P20929 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [0,2,0,0,0,0|1,0,0]=3 683 B10R1.176 COC1=CC(Br)=C(Cl)C=N1 C71758 [0,2,0,0,0,0|1,0,0]=3 684 B10R1.176 COC1=CC(Br)=C(Cl)N=C1 C14046 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.176 COC1=CC(Br)=C(F)C=N1 F12224 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.176 COC1=CC(Cl)=C(Br)C=N1 25841 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.176 COC1=CC(Cl)=C(I)C=C1 D72033 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.176 COC1=CC(Cl)=C(I)C=N1 W10502 [0,2,0,0,0,0|1,0,0]=3 689 B10R1.176 COC1=CC(F)=C(N)C=N1 D94273 [0,2,0,0,0,0|1,0,0]=3 690 B10R1.176 COC1=CC(F)=C(N)N=C1 C71770 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.176 COC1=CC(I)=C(Cl)C=N1 S10269 [0,2,0,0,0,0|1,0,0]=3 692 B10R1.176 COC1=CC(I)=C(F)C=N1 22601 [0,2,0,0,0,0|1,0,0]=3 693 B10R1.176 COC1=CC(O)=C(F)C=N1 79067 [0,2,0,0,0,0|1,0,0]=3 694 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.176 COC1=CC=C(Br)C(Br)=N1 S10112 [0,2,0,0,0,0|1,0,0]=3 697 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 C76674 [0,2,0,0,0,0|1,0,0]=3 698 B10R1.176 COC1=CN=C(Br)C(F)=C1 D83224 [0,2,0,0,0,0|1,0,0]=3 699 B10R1.176 COC1=CN=C(Br)C(N)=C1 24981 [0,2,0,0,0,0|1,0,0]=3 700 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C76383 [0,2,0,0,0,0|1,0,0]=3 701 B10R1.176 COC1=CN=C(Cl)C(N)=N1 C72387 [0,2,0,0,0,0|0,0,0]=2 702 B10R1.176 COC1=NC(C)=C(Br)C=N1 C74970 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.176 COC1=NC(C)=C(N)C=N1 C77088 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.176 COC1=NC(C)=C(N)N=C1 D82743 [0,2,0,0,0,0|0,0,0]=2 705 B10R1.176 COC1=NC(Cl)=C(Br)C=C1 C76489 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.176 COC1=NC(F)=C(Br)C=C1 S10193 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.176 COC1=NC(N)=C(Br)C=C1 C75397 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.176 COC1=NC(N)=C(Br)C=N1 24319 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.176 COC1=NC(N)=C(Cl)C=C1 O10989 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.176 COC1=NC=C(C)C(Cl)=N1 D70586 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.176 COC1=NC=C(C)C(N)=C1 C72054 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.176 COC1=NC=C(N)C(N)=C1 29189 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.176 CSC1=CN=C(Br)C(F)=C1 D79863 [0,2,0,0,0,0|1,1,0]=4 714 B10R1.176 CSC1=CN=C(Cl)C(C)=C1 D79862 [0,2,0,0,0,0|1,1,0]=4 715 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 38289 [0,2,0,0,0,0|0,1,0]=3 716 B10R1.2 COC1=C(Br)C(N)=CC=N1 38420 [0,2,0,0,0,0|1,0,0]=3 717 B10R1.2 COC1=C(C)C(Cl)=NC=N1 H11469 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.2 COC1=C(C)C(N)=CN=C1 N13054 [0,2,0,0,0,0|1,0,0]=3 719 B10R1.2 COC1=C(Cl)C(Cl)=CC=N1 D83251 [0,2,0,0,0,0|1,0,0]=3 720 B10R1.2 COC1=C(Cl)C(Cl)=NC=N1 P18609 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.2 COC1=C(Cl)C(Cl)=NN=C1 C16141 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C12073 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.2 COC1=C(I)C(N)=CC=C1 34421 [0,2,0,0,0,0|2,0,0]=4 724 B10R1.2 COC1=C(N)C(N)=CC=C1 35991 [0,2,0,0,0,0|2,0,0]=4 725 B10R1.2 COC1=C(N)C(N)=CC=C1 Y10418 [0,2,0,0,0,0|2,0,0]=4 726 B10R1.2 COC1=C(O)C(N)=CC=C1 O10656 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.2 COC1=CC=CC(Br)=C1Br CL8946 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.2 COC1=CC=CC(Cl)=C1Br F20980 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.2 COC1=CC=CC(Cl)=C1O O10746 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.2 COC1=CC=CC(F)=C1I 34512 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.2 COC1=CC=CC(I)=C1N S10846 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.2 COC1=CC=CC(I)=C1O 84030 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.2 COC1=CN=CC(Br)=C1C CS1899 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.2 COC1=NC=CC(Br)=C1C C71404 [0,2,0,0,0,0|1,0,0]=3 735 B10R1.2 COC1=NC=CC(C)=C1N 34938 [0,2,0,0,0,0|1,0,0]=3 736 B10R1.2 COC1=NC=CC(I)=C1C 96428 [0,2,0,0,0,0|1,0,0]=3 737 B10R1.2 COC1=NC=CC(I)=C1Cl 92374 [0,2,0,0,0,0|1,0,0]=3 738 B10R1.2 COC1=NC=CC(N)=C1N 24240 [0,2,0,0,0,0|1,0,0]=3 739 B10R1.8 COC1=CC(Br)=CC(Cl)=N1 O11171 [0,2,0,0,0,0|1,0,0]=3 740 B10R1.8 COC1=CC(Br)=NC(N)=N1 69754 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.8 COC1=CC(C)=NC(Cl)=N1 73974 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.8 COC1=CC(Cl)=CC(Cl)=N1 79601 [0,2,0,0,0,0|1,0,0]=3 743 B10R1.8 COC1=CC(Cl)=NC(C)=N1 36026 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.8 COC1=CC(N)=CC(Br)=N1 O10695 [0,2,0,0,0,0|1,0,0]=3 745 B10R1.8 COC1=CC(N)=CC(Cl)=N1 79629 [0,2,0,0,0,0|1,0,0]=3 746 B10R1.8 COC1=NC(C)=CC(Br)=C1 C71306 [0,2,0,0,0,0|1,0,0]=3 747 B10R1.8 COC1=NC(C)=CC(Cl)=N1 C77332 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.8 COC1=NC(C)=CC(N)=C1 F21240 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.8 COC1=NC(C)=NC(C)=C1 C72587 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.8 COC1=NC(C)=NC(N)=C1 D71931 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.8 COC1=NC(N)=CC(Br)=C1 D83261 [0,2,0,0,0,0|1,0,0]=3 752 B10R1.8 COC1=NC(N)=CC(C)=N1 C75435 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.8 COC1=NC(N)=CC(Cl)=C1 O11220 [0,2,0,0,0,0|1,0,0]=3 754 B10R1.8 COC1=NC(N)=CC(Cl)=N1 58084 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.10 CC#CC1=CC(Br)=CN=C1 F13546 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.10 CCOC1=CC(Cl)=NN=C1 C77015 [0,2,0,0,0,0|2,0,0]=4 757 B10R1.10 CCOC1=CC=NC(Cl)=N1 A11250 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.10 CCOC1=NC(C)=CN=C1 C75488 [0,2,0,0,0,0|0,0,0]=2 759 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [0,2,0,0,0,0|1,0,0]=3 760 B10R1.10 CCOC1=NC(N)=CC=N1 70347 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [0,2,0,0,0,0|2,0,0]=4 763 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [0,2,0,0,0,0|1,0,0]=3 764 B10R1.10 COCC1=CC(Cl)=NC=N1 92041 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.10 COCC1=CC=NC(Cl)=N1 C72174 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.10 COCC1=NC(N)=CC=N1 20330 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.10 N#CCC1=CN=CC(Cl)=N1 88650 [0,2,0,0,0,0|1,0,1]=4 768 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.30 CC1=CN=C(C)C(C#N)=N1 W18439 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.30 CC1=CN=C(Cl)C(C#N)=N1 BL010407 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [0,2,0,0,0,0|1,0,0]=3 774 B10R1.30 CNC1=C(N)C=CC(Cl)=N1 W11032 [0,2,0,0,0,0|2,0,0]=4 775 B10R1.30 CNC1=CC(Br)=CN=C1N N10250 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 88327 [0,2,0,0,0,0|1,0,0]=3 777 B10R1.30 COC1=C(C)C=NC(Cl)=N1 83973 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.30 COC1=C(Cl)C=CC(Br)=N1 D83067 [0,2,0,0,0,0|1,0,0]=3 779 B10R1.30 COC1=C(I)C=CC(Br)=N1 W18510 [0,2,0,0,0,0|1,0,0]=3 780 B10R1.30 COC1=C(I)C=CC(C)=C1 Y14673 [0,2,0,0,0,0|2,0,0]=4 781 B10R1.30 COC1=C(I)C=CC(N)=C1 C71377 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.30 COC1=C(I)C=NC(Cl)=N1 F50762 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.30 COC1=C(N)C=CC(Cl)=C1 AB2767 [0,2,0,0,0,0|2,0,0]=4 784 B10R1.30 COC1=C(N)C=CC(N)=C1 E10141 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.30 COC1=C(N)C=CC(O)=C1 30482 [0,2,0,0,0,0|2,0,0]=4 786 B10R1.30 COC1=C(N)C=NC(Cl)=N1 73801 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.30 COC1=C(O)C=CC(Br)=N1 C11325 [0,2,0,0,0,0|1,0,0]=3 788 B10R1.30 COC1=CC(=O)NN=C1Cl F20647 [0,2,0,0,0,0|2,0,0]=4 789 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [0,2,0,0,0,0|1,0,0]=3 790 B10R1.30 COC1=CC(Cl)=NN=C1N C10835 [0,2,0,0,0,0|2,0,0]=4 791 B10R1.30 COC1=CC(N)=CN=C1Cl 54845 [0,2,0,0,0,0|1,0,0]=3 792 B10R1.30 COC1=NC(Br)=CN=C1Br I11275 [0,2,0,0,0,0|0,0,0]=2 793 B10R1.30 COC1=NC(Br)=CN=C1I 27639 [0,2,0,0,0,0|0,0,0]=2 794 B10R1.30 COC1=NC(Br)=CNC1=O C13693 [0,2,0,0,0,0|0,0,1]=3 795 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [0,2,0,0,0,0|0,0,0]=2 796 B10R1.30 COC1=NC(C)=CN=C1N C77014 [0,2,0,0,0,0|0,0,0]=2 797 B10R1.30 COC1=NC(C)=NC=C1N C75487 [0,2,0,0,0,0|2,0,0]=4 798 B10R1.30 COC1=NC(N)=CN=C1Br D82133 [0,2,0,0,0,0|0,0,0]=2 799 B10R1.30 CSC1=CC(Cl)=CN=C1Cl 79286 [0,2,0,0,0,0|1,1,0]=4 800 B10R1.30 N#CC1=C(N)N=CC(Cl)=N1 36032 [0,2,0,0,0,0|2,0,0]=4 801 B10R1.30 N#CC1=NC(Br)=CN=C1Br P13094 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.30 N#CC1=NC(F)=CN=C1F F12442 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.30 NC1=C(C=O)N=C(Br)C=N1 27388 [0,2,0,0,0,0|2,0,0]=4 804 B10R1.30 NC1=C(C=O)N=C(Cl)C=N1 C77004 [0,2,0,0,0,0|2,0,0]=4 805 B10R1.30 NC1=C(CO)N=C(Br)C=N1 51254 [0,2,0,0,0,0|2,0,0]=4 806 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl P13243 [0,2,0,0,0,0|2,0,0]=4 807 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,2,0,0,0,0|2,0,0]=4 808 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,2,0,0,0,0|2,0,0]=4 809 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,2,0,0,0,0|2,0,0]=4 810 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,2,0,0,0,0|2,0,0]=4 811 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,2,0,0,0,0|1,0,0]=3 812 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,2,0,0,0,0|2,0,0]=4 813 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,2,0,0,0,0|2,0,0]=4 814 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [0,2,0,0,0,0|2,0,0]=4 815 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [0,2,0,0,0,0|2,0,0]=4 816 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [0,2,0,0,0,0|2,0,0]=4 817 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [0,2,0,0,0,0|2,0,0]=4 818 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [0,2,0,0,0,0|2,0,0]=4 820 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [0,2,0,0,0,0|2,0,0]=4 821 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,2,0,0,0,0|2,0,0]=4 822 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,2,0,0,0,0|2,0,0]=4 823 B10R1.113 CN(C)C1=CC=CC(Br)=N1 92343 [0,2,0,0,0,0|2,0,0]=4 824 B10R1.113 CN(C)C1=NC=CC(Br)=C1 26905 [0,2,0,0,0,0|2,0,0]=4 825 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [0,2,0,0,0,0|2,0,0]=4 827 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [0,2,0,0,0,0|2,0,0]=4 828 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [0,2,0,0,0,0|2,0,0]=4 829 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [0,2,0,0,0,0|2,0,0]=4 830 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [0,2,0,0,0,0|2,0,0]=4 831 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [0,2,0,0,0,0|2,0,0]=4 832 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [0,2,0,0,0,0|2,0,0]=4 833 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [0,2,0,0,0,0|2,0,0]=4 834 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [0,2,0,0,0,0|2,0,0]=4 836 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [0,2,0,0,0,0|2,0,0]=4 839 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [0,2,0,0,0,0|2,0,0]=4 841 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [0,2,0,0,0,0|2,0,0]=4 844 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [0,2,0,0,0,0|2,0,0]=4 845 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [0,2,0,0,0,0|2,0,0]=4 846 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [0,2,0,0,0,0|2,0,0]=4 848 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [0,2,0,0,0,0|2,0,0]=4 849 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,2,0,0,0,0|2,0,0]=4 850 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,2,0,0,0,0|2,0,0]=4 852 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [0,2,0,0,0,0|2,0,0]=4 853 B10R1.172 CCC1=CC=CC(CO)=N1 26583 [0,2,0,0,0,0|2,0,0]=4 854 B10R1.172 CNC1=CC(OC)=NC=C1 F13448 [0,2,0,0,0,0|1,0,0]=3 855 B10R1.172 COC1=CC=CC(CCl)=N1 36534 [0,2,0,0,0,0|1,0,0]=3 856 B10R1.172 COC1=CN=CC(CN)=C1 38429 [0,2,0,0,0,0|1,0,0]=3 857 B10R1.172 COC1=CN=CC(CN)=C1 Y14791 [0,2,0,0,0,0|1,0,0]=3 858 B10R1.172 COC1=CN=CC(OC)=C1 24562 [0,2,0,0,0,0|1,0,0]=3 859 B10R1.172 COC1=NC(C#N)=CN=C1 O10820 [0,2,0,0,0,0|0,0,0]=2 860 B10R1.172 COC1=NC(CN)=CC=C1 Y11459 [0,2,0,0,0,0|1,0,0]=3 861 B10R1.172 COC1=NC(CN)=CC=N1 P10949 [0,2,0,0,0,0|2,0,0]=4 862 B10R1.172 COC1=NC(CN)=CC=N1 P16417 [0,2,0,0,0,0|2,0,0]=4 863 B10R1.172 COC1=NC(CN)=NC=C1 P15840 [0,2,0,0,0,0|2,0,0]=4 864 B10R1.172 COC1=NC(CO)=CC=N1 P12426 [0,2,0,0,0,0|2,0,0]=4 865 B10R1.172 COC1=NC=CC(C=O)=N1 27203 [0,2,0,0,0,0|2,0,0]=4 866 B10R1.172 COC1=NC=CC(CCl)=C1 82046 [0,2,0,0,0,0|1,0,0]=3 867 B10R1.172 COC1=NC=CC(CN)=C1 36533 [0,2,0,0,0,0|1,0,0]=3 868 B10R1.172 COC1=NC=CC(CN)=C1 Y13036 [0,2,0,0,0,0|1,0,0]=3 869 B10R1.172 COC1=NC=NC(C#N)=C1 54898 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,2,0,0,0,0|1,0,0]=3 871 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,2,0,0,0,0|2,0,0]=4 872 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,2,0,0,0,0|2,0,0]=4 873 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,2,0,0,0,0|2,0,0]=4 874 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,2,0,0,0,0|2,0,0]=4 879 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [0,2,0,0,0,0|2,0,0]=4 880 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,2,0,0,0,0|2,0,0]=4 882 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,2,0,0,0,0|2,0,0]=4 883 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,2,0,0,0,0|2,0,0]=4 887 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,2,0,0,0,0|1,0,0]=3 888 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,2,0,0,0,0|2,0,0]=4 889 B10R1.28 CC(C)(N)C1=CC=CN=C1 27050 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [0,2,0,0,0,0|2,0,0]=4 891 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [0,2,0,0,0,0|2,0,0]=4 892 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [0,2,0,0,0,0|2,0,0]=4 893 B10R1.28 C[Sn](C)(C)C1=NC=CC=C1 T71744 [0,2,0,0,0,0|2,0,0]=4 894 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,2,0,0,0,0|2,0,0]=4 895 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,2,0,0,0,0|2,0,0]=4 896 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,2,0,0,0,0|2,0,0]=4 898 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,2,0,0,0,0|2,0,0]=4 899 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,2,0,0,0,0|2,0,0]=4 900 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,2,0,0,0,0|2,0,0]=4 901 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,2,0,0,0,0|2,0,0]=4 902 B10R1.61 CC(C)C1=C(N)C=CN=C1 C77054 [0,2,0,0,0,0|2,0,0]=4 903 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [0,2,0,0,0,0|2,0,0]=4 904 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [0,2,0,0,0,0|2,0,0]=4 905 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [0,2,0,0,0,0|2,0,0]=4 906 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [0,2,0,0,0,0|2,0,0]=4 907 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [0,2,0,0,0,0|1,0,0]=3 908 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,2,0,0,0,0|2,0,0]=4 909 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,2,0,0,0,0|2,0,0]=4 910 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,2,0,0,0,0|2,0,0]=4 911 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,2,0,0,0,0|2,0,0]=4 912 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,2,0,0,0,0|2,0,0]=4 913 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,2,0,0,0,0|2,0,0]=4 914 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [0,2,0,0,0,0|2,0,0]=4 915 B10R1.61 CN(C)C1=C(Br)C=CC=N1 N11615 [0,2,0,0,0,0|2,0,0]=4 916 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [0,2,0,0,0,0|2,0,0]=4 917 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [0,2,0,0,0,0|2,0,0]=4 918 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [0,2,0,0,0,0|2,0,0]=4 919 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [0,2,0,0,0,0|2,0,0]=4 922 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [0,2,0,0,0,0|2,0,0]=4 925 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,2,0,0,0,0|2,0,0]=4 929 B10R1.4 CC1=CC=CN=C1CCN C80033 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.4 CCNC1=CC=CN=C1N P19791 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [0,2,0,0,0,0|1,0,0]=3 932 B10R1.4 CCOC1=CC=CN=C1F AC1769 [0,2,0,0,0,0|1,0,0]=3 933 B10R1.4 CCOC1=CC=CNC1=O N13107 [0,2,0,0,0,0|1,0,1]=4 934 B10R1.4 CCOC1=NC=CC=C1O 79061 [0,2,0,0,0,0|1,0,0]=3 935 B10R1.4 CCOC1=NC=CN=C1N 25986 [0,2,0,0,0,0|0,0,0]=2 936 B10R1.4 CCOC1=NC=NC=C1N C75583 [0,2,0,0,0,0|2,0,0]=4 937 B10R1.4 CNCC1=CC=CN=C1C AC2519 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [0,2,0,0,0,0|2,0,0]=4 939 B10R1.4 N#CCC1=NC=CN=C1Cl 38700 [0,2,0,0,0,0|1,0,1]=4 940 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [0,2,0,0,0,0|2,0,0]=4 941 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [0,2,0,0,0,0|2,0,0]=4 942 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [0,2,0,0,0,0|2,0,0]=4 943 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,2,0,0,0,0|2,0,0]=4 944 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,2,0,0,0,0|2,0,0]=4 945 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,2,0,0,0,0|2,0,0]=4 946 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,2,0,0,0,0|1,0,0]=3 948 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,2,0,0,0,0|2,0,0]=4 950 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,2,0,0,0,0|2,0,0]=4 951 B10R1.18 NC(=O)NC1=NC=CN=C1 W17943 [0,2,0,0,0,0|1,0,1]=4 952 B10R1.18 NC(=S)NC1=NC=CN=C1 W13133 [0,2,0,0,0,0|1,0,1]=4 953 B10R1.20 C#CC1=CC=CN=C1OC C71657 [0,2,0,0,0,0|1,0,0]=3 954 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [0,2,0,0,0,0|2,0,0]=4 955 B10R1.20 COC1=C(C#N)C=CN=C1 W19146 [0,2,0,0,0,0|1,0,0]=3 956 B10R1.20 COC1=C(C#N)N=CN=C1 81453 [0,2,0,0,0,0|2,0,0]=4 957 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [0,2,0,0,0,0|1,0,0]=3 958 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [0,2,0,0,0,0|1,0,0]=3 959 B10R1.20 COC1=C(CN)C=CN=C1 C73553 [0,2,0,0,0,0|1,0,0]=3 960 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [0,2,0,0,0,0|1,0,0]=3 961 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [0,2,0,0,0,0|1,0,0]=3 962 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [0,2,0,0,0,0|1,0,0]=3 963 B10R1.20 COC1=C(NN)N=CN=C1 H10178 [0,2,0,0,0,0|2,0,0]=4 964 B10R1.20 COC1=CC=CN=C1C=O P10318 [0,2,0,0,0,0|1,0,0]=3 965 B10R1.20 COC1=CC=CN=C1CBr O10505 [0,2,0,0,0,0|1,0,0]=3 966 B10R1.20 COC1=CC=CN=C1CCl 60117 [0,2,0,0,0,0|1,0,0]=3 967 B10R1.20 COC1=CN=CN=C1OC H10157 [0,2,0,0,0,0|2,0,0]=4 968 B10R1.20 COC1=NC=CC=C1CN 37576 [0,2,0,0,0,0|1,0,0]=3 969 B10R1.20 COC1=NC=CC=C1NN D84114 [0,2,0,0,0,0|1,0,0]=3 970 B10R1.20 COC1=NC=CN=C1NN C74005 [0,2,0,0,0,0|0,0,0]=2 971 B10R1.20 COC1=NC=CN=C1OC 21131 [0,2,0,0,0,0|0,0,0]=2 972 B10R1.245 COC1=C(Br)C=CC=C1C F52555 [0,2,0,0,0,0|2,0,0]=4 973 B10R1.245 COC1=C(Br)C=CN=C1C A11666 [0,2,0,0,0,0|1,0,0]=3 974 B10R1.245 COC1=C(Cl)C=CC=C1O 95656 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.245 COC1=C(Cl)C=CN=C1N F51098 [0,2,0,0,0,0|1,0,0]=3 976 B10R1.245 COC1=C(N)C=CC=C1N A12416 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.245 COC1=C(N)C=CN=C1Cl F17572 [0,2,0,0,0,0|1,0,0]=3 978 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [0,1,0,1,0,0|1,0,1]=4 979 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [0,1,0,1,0,0|2,0,0]=4 980 B10R2.7 C1=CC2=C(C=N1)CNC2 83142 [0,1,0,1,0,0|2,0,0]=4 981 B10R2.7 C1=CC2=C(C=N1)CNC2 SC3491 [0,1,0,1,0,0|2,0,0]=4 982 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [0,1,0,1,0,0|2,0,0]=4 983 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [0,1,0,1,0,0|2,0,0]=4 984 B10R2.7 C1=CN=C2CCNC2=C1 70854 [0,1,0,1,0,0|2,0,0]=4 985 B10R2.7 C1=CN=C2CNCC2=C1 83068 [0,1,0,1,0,0|2,0,0]=4 986 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [0,1,0,1,0,0|2,0,0]=4 987 B10R2.7 C1=CN=C2CNCC2=N1 50637 [0,1,0,1,0,0|1,0,0]=3 988 B10R2.7 C1=CN=C2NN=CC2=N1 27786 [0,1,0,1,0,0|1,0,1]=4 989 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [0,1,0,1,0,0|1,0,1]=4 990 B10R2.7 C1=CN=C2OC=NC2=C1 32393 [0,1,0,1,0,0|1,0,1]=4 991 B6R1.2 BrC1=NC=CO1 N12756 [1,0,0,0,1,0|2,0,0]=4 992 B6R1.2 BrC1=NNN=C1 D83972 [1,0,0,0,1,0|2,0,0]=4 993 B6R1.2 BrC1=NSC=C1 27111 [1,0,0,0,1,0|2,0,0]=4 994 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,1,0|0,0,1]=3 995 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,1,0|0,0,1]=3 996 B6R1.2 CC1=CNN=C1 AT22811 [1,0,0,0,1,0|1,0,0]=3 997 B6R1.2 CC1=CNN=N1 27289 [1,0,0,0,1,0|1,0,1]=4 998 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,1,0|1,0,0]=3 999 B6R1.2 CC1=NNN=C1 D94600 [1,0,0,0,1,0|1,0,0]=3 1000 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,1,0|1,0,0]=3 1001 B6R1.2 CN1C=NN=C1 74688 [1,0,0,0,1,0|2,0,0]=4 1002 B6R1.2 ClC1=NC=CN1 71370 [1,0,0,0,1,0|1,0,1]=4 1003 B6R1.2 FC1=CC=NN1 P13416 [1,0,0,0,1,0|2,0,0]=4 1004 B6R1.2 FC1=CN=CN1 71921 [1,0,0,0,1,0|1,0,1]=4 1005 B6R1.2 FC1=CNN=C1 89373 [1,0,0,0,1,0|2,0,0]=4 1006 B6R1.2 IC1=NC=CO1 38371 [1,0,0,0,1,0|2,0,0]=4 1007 B6R1.2 NC1=CC=NO1 AB9529 [1,0,0,0,1,0|2,0,0]=4 1008 B6R1.2 NC1=CC=NS1 S11666 [1,0,0,0,1,0|2,0,0]=4 1009 B6R1.2 NC1=CN=CS1 52083 [1,0,0,0,1,0|2,0,0]=4 1010 B6R1.2 NC1=CNC=C1 D82737 [1,0,0,0,1,0|1,0,1]=4 1011 B6R1.2 NC1=CNC=N1 21115 [1,0,0,0,1,0|1,0,1]=4 1012 B6R1.2 NC1=CNC=N1 52247 [1,0,0,0,1,0|1,0,1]=4 1013 B6R1.2 NC1=CON=C1 F14139 [1,0,0,0,1,0|2,0,0]=4 1014 B6R1.2 NC1=CSC=C1 D77326 [1,0,0,0,1,0|2,0,0]=4 1015 B6R1.2 NC1=CSN=C1 83206 [1,0,0,0,1,0|2,0,0]=4 1016 B6R1.2 NC1=CSN=C1 85313 [1,0,0,0,1,0|2,0,0]=4 1017 B6R1.2 NN1C=CN=C1 C76661 [1,0,0,0,1,0|2,0,0]=4 1018 B6R1.2 NN1C=CN=C1 Y10352 [1,0,0,0,1,0|2,0,0]=4 1019 B6R1.2 OC1=CNN=C1 76131 [1,0,0,0,1,0|1,0,0]=3 1020 B6R1.2 OC1=NC=CS1 25638 [1,0,0,0,1,0|1,0,0]=3 1021 B6R1.2 OC1=NC=NN1 D82632 [1,0,0,0,1,0|1,0,0]=3 1022 B6R1.2 OC1=NOC=C1 W15437 [1,0,0,0,1,0|1,0,0]=3 1023 B6R1.2 SC1=CC=CS1 23061 [1,0,0,0,1,0|1,1,0]=4 1024 B6R1.2 SC1=CSC=C1 79297 [1,0,0,0,1,0|1,1,0]=4