0 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.10 BrC1=CC2=C(C=CN=C2)S1 33663 [0,0,0,0,0,0|3,1,0]=4 2 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 C13692 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 74877 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.10 BrC1=CN2N=CC=CC2=N1 F53726 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.10 BrC1=NC2=C(C=NC=C2)N1 P18761 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.10 BrC1=NC2=C(N=CC=C2)N1 P17806 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.10 BrC1=NC2=C(N=CC=C2)S1 27469 [0,0,0,0,0,0|2,1,0]=3 8 B11R2.10 BrC1=NN2C=CC=CC2=N1 86704 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,0,0,0,0,0|1,0,0]=1 10 B11R2.10 CC1=CC2=C(C=CN=C2)N1 36232 [0,0,0,0,0,0|2,0,1]=3 11 B11R2.10 CC1=CC2=C(C=NC=C2)N1 64428 [0,0,0,0,0,0|2,0,1]=3 12 B11R2.10 CC1=CC2=NC=CC=C2N1 27734 [0,0,0,0,0,0|2,0,1]=3 13 B11R2.10 CC1=CN2C=CC=CC2=C1 AC8553 [0,0,0,0,0,0|3,0,0]=3 14 B11R2.10 CC1=NC2=C(C=CN=C2)O1 F13462 [0,0,0,0,0,0|1,0,0]=1 15 B11R2.10 CC1=NC2=CC=CN=C2O1 AC1641 [0,0,0,0,0,0|1,0,0]=1 16 B11R2.10 CC1=NC2=CNC=NC2=N1 F11876 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [0,0,0,0,0,0|1,0,2]=3 18 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [0,0,0,0,0,0|1,0,2]=3 19 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [0,0,0,0,0,0|2,0,1]=3 20 B11R2.10 ClC1=CN2C=CC=CC2=N1 50953 [0,0,0,0,0,0|3,0,0]=3 21 B11R2.10 ClC1=NC2=C(C=CC=N2)N1 27394 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C73480 [0,0,0,0,0,0|2,0,0]=2 23 B11R2.10 ClC1=NC2=C(C=CC=N2)S1 25924 [0,0,0,0,0,0|2,1,0]=3 24 B11R2.10 ClC1=NC2=C(C=CN=C2)S1 27212 [0,0,0,0,0,0|2,1,0]=3 25 B11R2.10 ClC1=NC2=C(N=CC=C2)S1 27102 [0,0,0,0,0,0|2,1,0]=3 26 B11R2.10 ClC1=NC2=C(N=CC=N2)S1 C71625 [0,0,0,0,0,0|3,1,0]=4 27 B11R2.10 ClC1=NN2C=CC=CC2=C1 81891 [0,0,0,0,0,0|3,0,0]=3 28 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [0,0,0,0,0,0|2,0,1]=3 29 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [0,0,0,0,0,0|2,0,0]=2 30 B11R2.10 IC1=CC2=C(C=CC=C2)S1 F13439 [0,0,0,0,0,0|2,1,0]=3 31 B11R2.10 IC1=CC2=C(C=CN=C2)N1 I10139 [0,0,0,0,0,0|3,0,1]=4 32 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [0,0,0,0,0,0|2,1,0]=3 33 B11R2.10 NC1=NC2=C(C=CC=N2)S1 P11220 [0,0,0,0,0,0|2,1,0]=3 34 B11R2.10 NC1=NC2=C(C=CN=C2)O1 36483 [0,0,0,0,0,0|2,0,0]=2 35 B11R2.10 NC1=NC2=C(C=CN=C2)S1 P10566 [0,0,0,0,0,0|2,1,0]=3 36 B11R2.10 NC1=NC2=C(C=NC=C2)S1 CL3446 [0,0,0,0,0,0|2,1,0]=3 37 B11R2.10 NC1=NC2=CC=CN=C2O1 F13374 [0,0,0,0,0,0|2,0,0]=2 38 B11R2.10 NC1=NC2=CN=CN=C2S1 O12150 [0,0,0,0,0,0|3,1,0]=4 39 B11R2.10 NC1=NN2C=CC=CC2=C1 AC2532 [0,0,0,0,0,0|3,0,0]=3 40 B11R2.10 NC1=NN2C=CC=CC2=N1 51338 [0,0,0,0,0,0|3,0,0]=3 41 B11R2.10 NN1N=C2C=CC=CC2=N1 T70369 [0,0,0,0,0,0|3,0,0]=3 42 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,0,0,0,0,0|3,0,1]=4 43 B11R2.10 O=C1CN2C=CC=CC2=N1 78878 [0,0,0,0,0,0|3,0,0]=3 44 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [0,0,0,0,0,0|2,0,1]=3 45 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [0,0,0,0,0,0|2,0,1]=3 46 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [0,0,0,0,0,0|2,0,1]=3 47 B11R2.10 OC1=CN2C=CC=CC2=N1 36322 [0,0,0,0,0,0|3,0,0]=3 48 B11R2.10 OC1=NN2C=CC=CC2=C1 82700 [0,0,0,0,0,0|3,0,0]=3 49 B11R2.10 S=C1NC2=C(C=CN=C2)O1 AC2527 [0,0,0,0,0,0|2,0,1]=3 50 B11R2.10 S=C1NC2=C(N=CC=C2)O1 AC7981 [0,0,0,0,0,0|2,0,1]=3 51 B11R2.10 SC1=NC2=C(C=CC=N2)N1 S11897 [0,0,0,0,0,0|3,0,0]=3 52 B11R2.10 SC1=NC2=C(C=NC=C2)S1 CS1641 [0,0,0,0,0,0|2,1,0]=3 53 B10R2.7 C1=CC2=C(C=C1)SN=N2 C74419 [1,0,0,0,0,0|1,1,0]=3 54 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [1,0,0,0,0,0|2,0,0]=3 55 B10R2.7 C1=CC2=C(C=N1)N=CO2 C74415 [1,0,0,0,0,0|1,0,0]=2 56 B10R2.7 C1=CC2=C(C=N1)SC=N2 26297 [1,0,0,0,0,0|1,1,0]=3 57 B10R2.7 C1=CC2=CC=CN2C=C1 D94752 [1,0,0,0,0,0|3,0,0]=4 58 B10R2.7 C1=CC2=CC=NN2C=C1 21533 [1,0,0,0,0,0|2,0,0]=3 59 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [1,0,0,0,0,0|2,0,0]=3 60 B10R2.7 C1=CC2=NC=NN2C=C1 S11147 [1,0,0,0,0,0|2,0,0]=3 61 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T70699 [1,0,0,0,0,0|2,0,0]=3 62 B10R2.7 C1=CN2N=CN=C2C=N1 27436 [1,0,0,0,0,0|3,0,0]=4 63 B10R2.7 C1=CN=C2N=NNC2=C1 I10125 [1,0,0,0,0,0|3,0,0]=4 64 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [1,0,0,0,0,0|2,0,0]=3 65 B10R2.7 C1=CN=C2OC=NC2=C1 32393 [1,0,0,0,0,0|1,0,0]=2 66 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 54481 [0,1,0,0,0,0|1,0,0]=2 67 B12R2.18 CC1=C(Br)C2=C(C=NC=C2)N1 P13974 [0,1,0,0,0,0|2,0,1]=4 68 B12R2.18 CC1=C(Br)C2=C(N=CC=C2)N1 37703 [0,1,0,0,0,0|2,0,1]=4 69 B12R2.18 CC1=C(Br)N2C=CN=CC2=N1 91388 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.18 CC1=C(Br)N2N=CC=CC2=N1 C72476 [0,1,0,0,0,0|3,0,0]=4 71 B12R2.18 CC1=C(I)C2=C(N=CC=C2)N1 38229 [0,1,0,0,0,0|2,0,1]=4 72 B12R2.18 CC1=C(N)N2C=CC=CC2=N1 35348 [0,1,0,0,0,0|2,0,0]=3 73 B12R2.18 CC1=C2C=CC=CC2=NN1C D83537 [0,1,0,0,0,0|2,0,0]=3 74 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [0,1,0,0,0,0|1,0,0]=2 75 B12R2.18 CC1=NC2=C(C=NC=C2)N1C C75465 [0,1,0,0,0,0|2,0,0]=3 76 B12R2.18 CC1=NN2C=CC=NC2=C1Br C90369 [0,1,0,0,0,0|3,0,0]=4 77 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,1,0,0,0,0|1,0,2]=4 78 B12R2.18 CN1C(Cl)=NC2=C1N=CC=C2 C74563 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.18 CN1N=C2C=CC=CC2=C1Br P13368 [0,1,0,0,0,0|2,0,0]=3 80 B12R2.18 CN1N=C2C=CC=CC2=C1N D83793 [0,1,0,0,0,0|2,0,0]=3 81 B12R2.18 ClC1=C(Br)N=C2C=CC=CN21 BL001039 [0,1,0,0,0,0|3,0,0]=4 82 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [0,1,0,0,0,0|2,0,1]=4 83 B12R2.18 OC1=NN2C=CC=CC2=C1Br C16064 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 26882 [0,1,0,0,0,0|0,0,0]=1 85 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [0,1,0,0,0,0|2,0,1]=4 86 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 Y10990 [0,1,0,0,0,0|0,0,0]=1 87 B12R2.32 CCC1=NC2=CC=CN=C2O1 AC1601 [0,1,0,0,0,0|1,0,0]=2 88 B12R2.32 CCC1=NN2C=CC=CC2=C1 W16147 [0,1,0,0,0,0|2,0,0]=3 89 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 71045 [0,1,0,0,0,0|0,1,0]=2 90 B12R2.32 ClCC1=NC2=C(C=CC=N2)N1 D95139 [0,1,0,0,0,0|2,0,0]=3 91 B12R2.32 N#CC1=NC2=C(C=CC=C2)N1 83393 [0,1,0,0,0,0|1,0,1]=3 92 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 25413 [0,1,0,0,0,0|1,0,1]=3 93 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 AC2210 [0,1,0,0,0,0|1,0,0]=2 94 B12R2.32 NCC1=CC2=CC=CN=C2N1 P14676 [0,1,0,0,0,0|2,0,1]=4 95 B12R2.32 NCC1=CN2C=CC=CC2=N1 C76754 [0,1,0,0,0,0|2,0,0]=3 96 B12R2.32 NCC1=CN2C=CC=CC2=N1 W13249 [0,1,0,0,0,0|2,0,0]=3 97 B12R2.32 NCC1=CN2C=CC=NC2=N1 51344 [0,1,0,0,0,0|3,0,0]=4 98 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 AC2205 [0,1,0,0,0,0|0,0,0]=1 99 B12R2.32 NCC1=NC2=C(C=CC=C2)S1 C15505 [0,1,0,0,0,0|0,1,0]=2 100 B12R2.32 NCC1=NC2=CC=CN=C2N1 C11487 [0,1,0,0,0,0|2,0,0]=3 101 B12R2.32 NCC1=NC2=CC=CN=C2O1 AC7340 [0,1,0,0,0,0|1,0,0]=2 102 B12R2.32 NCC1OC2=C(C=CC=C2)O1 AC2204 [0,1,0,0,0,0|1,0,1]=3 103 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 P11151 [0,1,0,0,0,0|2,0,1]=4 104 B12R2.32 O=CC1=CN2C=CC=CC2=N1 20279 [0,1,0,0,0,0|2,0,1]=4 105 B12R2.32 OCC1=CC2=C(C=CC=N2)N1 79325 [0,1,0,0,0,0|2,0,1]=4 106 B12R2.32 OCC1=CC2=C(C=NC=C2)N1 79396 [0,1,0,0,0,0|2,0,1]=4 107 B12R2.32 OCC1=CC2=CC=CN=C2S1 79394 [0,1,0,0,0,0|2,1,0]=4 108 B12R2.32 OCC1=CN2C=CC=CC2=N1 67421 [0,1,0,0,0,0|2,0,0]=3 109 B12R2.32 OCC1=CN2C=CN=CC2=N1 F14128 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.32 OCC1=NN2C=CC=CC2=N1 C10019 [0,1,0,0,0,0|2,0,0]=3 111 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [0,1,0,0,0,0|1,0,2]=4 112 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [0,1,0,0,0,0|1,0,2]=4 113 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [0,1,0,0,0,0|1,0,1]=3 114 B12R2.95 CC1(N)CC2=C(C=CC=C2)C1 O11950 [0,1,0,0,0,0|2,0,1]=4 115 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 72382 [0,1,0,0,0,0|2,0,0]=3 116 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 C73050 [0,1,0,0,0,0|2,0,0]=3 117 B12R2.202 CC1=C2SC(N)=NC2=CC=C1 C72812 [0,1,0,0,0,0|1,1,0]=3 118 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 69005 [0,1,0,0,0,0|1,0,1]=3 119 B12R2.202 CC1=CC2=C(C)C=CN=C2N1 I10965 [0,1,0,0,0,0|2,0,1]=4 120 B12R2.202 CC1=CC2=C(C=CN=C2Cl)S1 SC1251 [0,1,0,0,0,0|2,1,0]=4 121 B12R2.202 CC1=CC2=C(Cl)C=CN=C2N1 59534 [0,1,0,0,0,0|2,0,1]=4 122 B12R2.202 CC1=CC2=C(F)C=CC=C2N1 I11356 [0,1,0,0,0,0|1,0,1]=3 123 B12R2.202 CC1=CC2=C(N1)C(=O)NC=C2 D80513 [0,1,0,0,0,0|2,0,1]=4 124 B12R2.202 CC1=CC2=C(N1)C(Cl)=NC=C2 31624 [0,1,0,0,0,0|2,0,1]=4 125 B12R2.202 CC1=CC2=CC=CC(Br)=C2S1 D94807 [0,1,0,0,0,0|1,1,0]=3 126 B12R2.202 CC1=CC2=CC=CC(C)=C2N1 S10129 [0,1,0,0,0,0|1,0,1]=3 127 B12R2.202 CC1=CC2=NC=CC(Cl)=C2O1 P12071 [0,1,0,0,0,0|2,0,0]=3 128 B12R2.202 CC1=CC2=NC=CC(Cl)=C2S1 37519 [0,1,0,0,0,0|2,1,0]=4 129 B12R2.202 CC1=CC=CC2=C1N=C(Br)S2 78620 [0,1,0,0,0,0|1,1,0]=3 130 B12R2.202 CC1=CC=CC2=C1N=C(Cl)S2 F15042 [0,1,0,0,0,0|1,1,0]=3 131 B12R2.202 CC1=CC=CC2=C1N=C(O)S2 F15065 [0,1,0,0,0,0|1,1,0]=3 132 B12R2.202 CC1=CC=CC2=C1OC(=O)N2 F20152 [0,1,0,0,0,0|1,0,1]=3 133 B12R2.202 CC1=CC=CN2C=C(Br)N=C12 W10491 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.202 CC1=CN2C(Br)=CC=CC2=N1 88950 [0,1,0,0,0,0|2,0,0]=3 135 B12R2.202 CC1=CN2C(Cl)=CC=CC2=N1 72401 [0,1,0,0,0,0|2,0,0]=3 136 B12R2.202 CC1=CN2C=CC=C(Cl)C2=N1 F20085 [0,1,0,0,0,0|2,0,0]=3 137 B12R2.202 CC1=CN2C=CC=C(N)C2=N1 25347 [0,1,0,0,0,0|2,0,0]=3 138 B12R2.202 CC1=CN2C=CN=C(Cl)C2=N1 27687 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.202 CC1=NC2=C(Br)C=CC=C2O1 F13689 [0,1,0,0,0,0|0,0,0]=1 140 B12R2.202 CC1=NC2=C(Br)C=CC=C2S1 C71400 [0,1,0,0,0,0|0,1,0]=2 141 B12R2.202 CC1=NC2=C(C=CC=C2O)S1 D84739 [0,1,0,0,0,0|0,1,0]=2 142 B12R2.202 CC1=NC2=C(Cl)C=CN=C2N1 D84304 [0,1,0,0,0,0|2,0,0]=3 143 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 C73452 [0,1,0,0,0,0|0,0,0]=1 144 B12R2.202 CC1=NC2=C(N=CN=C2Cl)N1 81058 [0,1,0,0,0,0|3,0,0]=4 145 B12R2.202 CC1=NC2=C(O)C=CC=C2N1 W10564 [0,1,0,0,0,0|1,0,0]=2 146 B12R2.202 CC1=NC2=CC=CC(Br)=C2S1 O11632 [0,1,0,0,0,0|0,1,0]=2 147 B12R2.202 CC1=NC2=CC=CC(Cl)=C2N1 91610 [0,1,0,0,0,0|1,0,0]=2 148 B12R2.202 CC1=NC2=CN=CC(Br)=C2N1 54828 [0,1,0,0,0,0|2,0,0]=3 149 B12R2.202 CN1C=C2C(Br)=CN=CC2=N1 Y11329 [0,1,0,0,0,0|3,0,0]=4 150 B12R2.202 CN1C=C2C(Cl)=CC=NC2=N1 P17259 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.202 CN1C=C2C(Cl)=NC=CC2=N1 P16079 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.202 CN1C=C2C(N)=CC=CC2=N1 25503 [0,1,0,0,0,0|2,0,0]=3 153 B12R2.202 CN1C=C2C(O)=CC=CC2=N1 Y11309 [0,1,0,0,0,0|2,0,0]=3 154 B12R2.202 CN1C=C2C=CC=C(Br)C2=N1 24368 [0,1,0,0,0,0|2,0,0]=3 155 B12R2.202 CN1C=C2C=CC=C(Cl)C2=N1 D97309 [0,1,0,0,0,0|2,0,0]=3 156 B12R2.202 CN1C=C2C=CC=C(I)C2=N1 P11313 [0,1,0,0,0,0|2,0,0]=3 157 B12R2.202 CN1C=C2C=CN=C(Cl)C2=N1 CS3090 [0,1,0,0,0,0|3,0,0]=4 158 B12R2.202 C[C@H]1CC2=CC=CC(N)=C2N1 P20141 [0,1,0,0,0,0|1,0,2]=4 159 B12R2.202 ClC1=CC=NC2=C1N=C(Br)N2 P13224 [0,1,0,0,0,0|3,0,0]=4 160 B12R2.202 ClC1=CN=CC2=C1N=C(Br)S2 27025 [0,1,0,0,0,0|2,1,0]=4 161 B12R2.202 ClC1=NC2=C(Br)C=CC=C2S1 24989 [0,1,0,0,0,0|1,1,0]=3 162 B12R2.202 ClC1=NC2=C(Cl)C=NC=C2S1 27814 [0,1,0,0,0,0|2,1,0]=4 163 B12R2.202 ClC1=NC2=CC=CC(Br)=C2S1 O11629 [0,1,0,0,0,0|1,1,0]=3 164 B12R2.202 ClC1=NC2=CC=CC(Cl)=C2O1 AC7018 [0,1,0,0,0,0|1,0,0]=2 165 B12R2.202 FC1=CC=CC2=C1N=C(Br)S2 D76348 [0,1,0,0,0,0|1,1,0]=3 166 B12R2.202 FC1=CC=CC2=C1N=C(Cl)N2 27168 [0,1,0,0,0,0|2,0,0]=3 167 B12R2.202 FC1=CC=CC2=C1OC(S)=N2 AC4468 [0,1,0,0,0,0|1,0,0]=2 168 B12R2.202 FC1=CC=CC2=C1SC(=S)N2 N17003 [0,1,0,0,0,0|1,1,1]=4 169 B12R2.202 FC1=CC=CC2=C1SC(Cl)=N2 33202 [0,1,0,0,0,0|1,1,0]=3 170 B12R2.202 NC1=CC2=C(Br)C=CC=C2S1 P12940 [0,1,0,0,0,0|2,1,0]=4 171 B12R2.202 NC1=CC2=CC=CC(Br)=C2S1 P12082 [0,1,0,0,0,0|2,1,0]=4 172 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 82071 [0,1,0,0,0,0|2,0,1]=4 173 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 D80850 [0,1,0,0,0,0|2,0,1]=4 174 B12R2.202 NC1=CC=CC2=C1NC(O)=N2 W18048 [0,1,0,0,0,0|2,0,0]=3 175 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 70907 [0,1,0,0,0,0|1,0,1]=3 176 B12R2.202 NC1=CC=CC2=C1SC(Cl)=N2 D83990 [0,1,0,0,0,0|1,1,0]=3 177 B12R2.202 NC1=CN2C(Br)=CC=CC2=N1 P12785 [0,1,0,0,0,0|3,0,0]=4 178 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 C13690 [0,1,0,0,0,0|1,0,0]=2 179 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 C77367 [0,1,0,0,0,0|1,0,0]=2 180 B12R2.202 NC1=NC2=C(Cl)C=CC=C2N1 O11197 [0,1,0,0,0,0|2,0,0]=3 181 B12R2.202 NC1=NC2=C(F)C=CC=C2N1 AC1945 [0,1,0,0,0,0|2,0,0]=3 182 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 F10223 [0,1,0,0,0,0|1,0,0]=2 183 B12R2.202 NC1=NC2=CC=CC(Cl)=C2S1 W10162 [0,1,0,0,0,0|1,1,0]=3 184 B12R2.202 NC1=NC2=CC=CC(O)=C2S1 P12369 [0,1,0,0,0,0|1,1,0]=3 185 B12R2.202 NC1=NN2C=CC=C(Br)C2=C1 P13838 [0,1,0,0,0,0|3,0,0]=4 186 B12R2.202 NC1=NN2C=CC=C(Cl)C2=N1 69618 [0,1,0,0,0,0|3,0,0]=4 187 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 38087 [0,1,0,0,0,0|3,0,0]=4 188 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 27432 [0,1,0,0,0,0|3,0,0]=4 189 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 I11355 [0,1,0,0,0,0|3,0,0]=4 190 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 F15046 [0,1,0,0,0,0|1,1,1]=4 191 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 C91054 [0,1,0,0,0,0|2,0,1]=4 192 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 36174 [0,1,0,0,0,0|1,0,1]=3 193 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 C71607 [0,1,0,0,0,0|1,1,1]=4 194 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 C74328 [0,1,0,0,0,0|2,0,1]=4 195 B12R2.202 O=C1NC=CC2=C1C=C(Br)O2 F13402 [0,1,0,0,0,0|3,0,0]=4 196 B12R2.202 OC1=CC=CC2=C1N=C(Br)S2 O10699 [0,1,0,0,0,0|1,1,0]=3 197 B12R2.202 OC1=CC=CC2=C1SC(Cl)=N2 P15336 [0,1,0,0,0,0|1,1,0]=3 198 B12R2.202 S=C1NC2=CC=CC(Cl)=C2S1 O11649 [0,1,0,0,0,0|1,1,1]=4 199 B12R2.202 SC1=NC2=CC=CC(Cl)=C2O1 AC6282 [0,1,0,0,0,0|1,0,0]=2 200 B12R2.606 BrC1=CC2=C(C=C1)N=C(Br)S2 25550 [0,1,0,0,0,0|1,1,0]=3 201 B12R2.606 BrC1=CC2=C(C=C1)SC(Br)=N2 26558 [0,1,0,0,0,0|1,1,0]=3 202 B12R2.606 BrC1=CC2=NC(Br)=NN2C=C1 67344 [0,1,0,0,0,0|3,0,0]=4 203 B12R2.606 BrC1=CN2N=C(Br)N=C2C=C1 83929 [0,1,0,0,0,0|3,0,0]=4 204 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 27371 [0,1,0,0,0,0|1,0,1]=3 205 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 33909 [0,1,0,0,0,0|1,0,1]=3 206 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 P15438 [0,1,0,0,0,0|1,0,1]=3 207 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 P11525 [0,1,0,0,0,0|1,0,1]=3 208 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 F21500 [0,1,0,0,0,0|1,0,0]=2 209 B12R2.606 CC1=CC2=C(C=C1)N=C(Br)S2 71677 [0,1,0,0,0,0|1,1,0]=3 210 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)S2 W10452 [0,1,0,0,0,0|1,1,0]=3 211 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 52985 [0,1,0,0,0,0|1,0,0]=2 212 B12R2.606 CC1=CC2=C(C=C1)N=C(S)O2 T72123 [0,1,0,0,0,0|1,0,0]=2 213 B12R2.606 CC1=CC2=C(C=C1)N=C(S)S2 W17074 [0,1,0,0,0,0|1,1,0]=3 214 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 F15190 [0,1,0,0,0,0|1,1,1]=4 215 B12R2.606 CC1=CC2=C(C=C1)N[C@@H](C)C2 D78738 [0,1,0,0,0,0|1,0,2]=4 216 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=N2 W10487 [0,1,0,0,0,0|1,1,0]=3 217 B12R2.606 CC1=CC2=C(C=C1)SC(Cl)=N2 C15674 [0,1,0,0,0,0|1,1,0]=3 218 B12R2.606 CC1=CC2=C(C=C1)SC(N)=N2 W10174 [0,1,0,0,0,0|1,1,0]=3 219 B12R2.606 CC1=CC2=C(C=CC(C)=N2)N1 I10966 [0,1,0,0,0,0|2,0,1]=4 220 B12R2.606 CC1=CC2=C(C=CC(Cl)=N2)N1 P12291 [0,1,0,0,0,0|2,0,1]=4 221 B12R2.606 CC1=CC2=C(N=C(C)C=C2)N1 61972 [0,1,0,0,0,0|2,0,1]=4 222 B12R2.606 CC1=CC2=C(N=C1)N=C(S)S2 C75743 [0,1,0,0,0,0|2,1,0]=4 223 B12R2.606 CC1=CC2=CC(Cl)=NC=C2N1 F30896 [0,1,0,0,0,0|2,0,1]=4 224 B12R2.606 CC1=CC2=CC(F)=CN=C2N1 53321 [0,1,0,0,0,0|2,0,1]=4 225 B12R2.606 CC1=CC2=NC(Br)=CN2C=C1 W10490 [0,1,0,0,0,0|3,0,0]=4 226 B12R2.606 CC1=CC2=NC=C(Br)C=C2N1 I10842 [0,1,0,0,0,0|2,0,1]=4 227 B12R2.606 CC1=CN2C=C(Br)C=NC2=N1 50640 [0,1,0,0,0,0|3,0,0]=4 228 B12R2.606 CC1=CN2C=C(Br)N=C2C=C1 W13277 [0,1,0,0,0,0|3,0,0]=4 229 B12R2.606 CC1=CN2C=C(Cl)C=CC2=N1 65801 [0,1,0,0,0,0|2,0,0]=3 230 B12R2.606 CC1=CN2C=C(N)C=CC2=N1 F30644 [0,1,0,0,0,0|2,0,0]=3 231 B12R2.606 CC1=CN2C=CC(Br)=CC2=N1 W13391 [0,1,0,0,0,0|2,0,0]=3 232 B12R2.606 CC1=CN2C=CC(N)=CC2=N1 P16542 [0,1,0,0,0,0|2,0,0]=3 233 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)S1 F15069 [0,1,0,0,0,0|0,1,0]=2 234 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 W17343 [0,1,0,0,0,0|1,0,0]=2 235 B12R2.606 CC1=NC2=C(C=CC(I)=C2)S1 68181 [0,1,0,0,0,0|0,1,0]=2 236 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 78609 [0,1,0,0,0,0|0,0,0]=1 237 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 C75100 [0,1,0,0,0,0|1,0,0]=2 238 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 I10199 [0,1,0,0,0,0|0,0,0]=1 239 B12R2.606 CC1=NC2=C(N=C(Br)C=C2)N1 21035 [0,1,0,0,0,0|2,0,0]=3 240 B12R2.606 CC1=NC2=C(N=C(Cl)C=C2)N1 21033 [0,1,0,0,0,0|2,0,0]=3 241 B12R2.606 CC1=NC2=C(N=C(Cl)N=C2)N1 P10835 [0,1,0,0,0,0|3,0,0]=4 242 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 C71522 [0,1,0,0,0,0|1,0,0]=2 243 B12R2.606 CC1=NC2=CC(Cl)=CN=C2S1 51787 [0,1,0,0,0,0|1,1,0]=3 244 B12R2.606 CC1=NN2C=C(Br)C=CC2=N1 26597 [0,1,0,0,0,0|2,0,0]=3 245 B12R2.606 CC1=NN2C=C(Br)C=NC2=N1 AT12552 [0,1,0,0,0,0|3,0,0]=4 246 B12R2.606 CC1=NN2C=CC(Br)=CC2=N1 O11631 [0,1,0,0,0,0|2,0,0]=3 247 B12R2.606 CN1C=C2C=C(Br)C=NC2=N1 39231 [0,1,0,0,0,0|3,0,0]=4 248 B12R2.606 CN1C=C2C=C(Br)N=CC2=N1 P20772 [0,1,0,0,0,0|3,0,0]=4 249 B12R2.606 CN1C=C2C=C(Cl)C=CC2=N1 C75542 [0,1,0,0,0,0|2,0,0]=3 250 B12R2.606 CN1C=C2C=C(I)C=CC2=N1 P11315 [0,1,0,0,0,0|2,0,0]=3 251 B12R2.606 CN1C=C2C=C(N)C=NC2=N1 P15998 [0,1,0,0,0,0|3,0,0]=4 252 B12R2.606 CN1C=C2C=C(O)C=CC2=N1 D83262 [0,1,0,0,0,0|2,0,0]=3 253 B12R2.606 CN1C=C2C=CC(Cl)=CC2=N1 Y10388 [0,1,0,0,0,0|2,0,0]=3 254 B12R2.606 CN1N=C2C=CC(Br)=CC2=N1 P20817 [0,1,0,0,0,0|2,0,0]=3 255 B12R2.606 C[C@H]1CC2=C(C=CC(Br)=C2)O1 72190 [0,1,0,0,0,0|1,0,1]=3 256 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 C76645 [0,1,0,0,0,0|1,0,2]=4 257 B12R2.606 ClC1=CC2=C(C=C1)N=C(Br)N2 C72550 [0,1,0,0,0,0|2,0,0]=3 258 B12R2.606 ClC1=CC2=C(C=C1)NC(I)=C2 S10265 [0,1,0,0,0,0|2,0,1]=4 259 B12R2.606 ClC1=CC2=NC(Br)=CN2C=C1 SC4286 [0,1,0,0,0,0|3,0,0]=4 260 B12R2.606 ClC1=CC2=NC(I)=CN2C=C1 59747 [0,1,0,0,0,0|3,0,0]=4 261 B12R2.606 ClC1=NC2=C(C=C(Br)C=C2)O1 AC2127 [0,1,0,0,0,0|1,0,0]=2 262 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 36068 [0,1,0,0,0,0|1,0,0]=2 263 B12R2.606 ClC1=NC2=C(C=CC(I)=C2)N1 SC1231 [0,1,0,0,0,0|2,0,0]=3 264 B12R2.606 ClC1=NC2=NC=C(Br)C=C2S1 95224 [0,1,0,0,0,0|2,1,0]=4 265 B12R2.606 FC1=CC2=C(C=C1)N=C(S)S2 F15019 [0,1,0,0,0,0|1,1,0]=3 266 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 F30138 [0,1,0,0,0,0|1,0,0]=2 267 B12R2.606 FC1=CC2=C(C=C1)SC(Cl)=N2 36148 [0,1,0,0,0,0|1,1,0]=3 268 B12R2.606 FC1=CN2C=C(Br)N=C2C=C1 C71248 [0,1,0,0,0,0|3,0,0]=4 269 B12R2.606 FC1=NN2C=C(Br)C=CC2=C1 97214 [0,1,0,0,0,0|3,0,0]=4 270 B12R2.606 NC1=CC2=C(C=C(Br)C=C2)S1 AT12832 [0,1,0,0,0,0|2,1,0]=4 271 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [0,1,0,0,0,0|3,0,0]=4 272 B12R2.606 NC1=CC2=C(C=C1)N=C(Br)S2 30400 [0,1,0,0,0,0|1,1,0]=3 273 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 D82169 [0,1,0,0,0,0|2,0,0]=3 274 B12R2.606 NC1=CC2=C(C=CC(Br)=C2)S1 37561 [0,1,0,0,0,0|2,1,0]=4 275 B12R2.606 NC1=CN2C=C(Br)C=CC2=N1 30571 [0,1,0,0,0,0|3,0,0]=4 276 B12R2.606 NC1=CN2C=C(Cl)C=CC2=N1 86072 [0,1,0,0,0,0|3,0,0]=4 277 B12R2.606 NC1=CN2C=C(I)C=CC2=N1 84537 [0,1,0,0,0,0|3,0,0]=4 278 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 29673 [0,1,0,0,0,0|1,0,0]=2 279 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)N1 AC8852 [0,1,0,0,0,0|2,0,0]=3 280 B12R2.606 NC1=NC2=C(C=C(I)C=C2)O1 D94563 [0,1,0,0,0,0|1,0,0]=2 281 B12R2.606 NC1=NC2=C(C=C(I)C=C2)S1 D82270 [0,1,0,0,0,0|1,1,0]=3 282 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 AB8010 [0,1,0,0,0,0|1,1,0]=3 283 B12R2.606 NC1=NC2=C(C=CC(=O)N2)S1 S10525 [0,1,0,0,0,0|2,1,0]=4 284 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)N1 F31179 [0,1,0,0,0,0|2,0,0]=3 285 B12R2.606 NC1=NC2=C(C=CC(F)=C2)N1 AC5851 [0,1,0,0,0,0|2,0,0]=3 286 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 C75402 [0,1,0,0,0,0|2,0,0]=3 287 B12R2.606 NC1=NC2=C(C=CC(O)=C2)S1 P10163 [0,1,0,0,0,0|1,1,0]=3 288 B12R2.606 NC1=NC2=C(N=C(Br)C=C2)S1 82209 [0,1,0,0,0,0|2,1,0]=4 289 B12R2.606 NC1=NC2=CC(Br)=CN=C2O1 F13898 [0,1,0,0,0,0|2,0,0]=3 290 B12R2.606 NC1=NC2=CC(Br)=CN=C2S1 27471 [0,1,0,0,0,0|2,1,0]=4 291 B12R2.606 NC1=NC2=NC=C(Br)C=C2S1 95223 [0,1,0,0,0,0|2,1,0]=4 292 B12R2.606 NC1=NC2=NC=C(Cl)C=C2S1 52992 [0,1,0,0,0,0|2,1,0]=4 293 B12R2.606 NC1=NN2C=C(Cl)C=CC2=N1 90844 [0,1,0,0,0,0|3,0,0]=4 294 B12R2.606 NC1=NN2C=C(O)C=CC2=N1 O10639 [0,1,0,0,0,0|3,0,0]=4 295 B12R2.606 NC1=NN2C=CC(Cl)=CC2=N1 W10914 [0,1,0,0,0,0|3,0,0]=4 296 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,1,0,0,0,0|3,0,0]=4 297 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [0,1,0,0,0,0|3,0,0]=4 298 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [0,1,0,0,0,0|2,0,1]=4 299 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 D78722 [0,1,0,0,0,0|2,0,0]=3 300 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 24744 [0,1,0,0,0,0|2,0,1]=4 301 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 A12501 [0,1,0,0,0,0|2,0,1]=4 302 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 27037 [0,1,0,0,0,0|1,1,1]=4 303 B12R2.606 O=C1NC2=C(C=CC(Br)=N2)O1 AC2056 [0,1,0,0,0,0|2,0,1]=4 304 B12R2.606 O=C1NC2=C(C=CC(O)=C2)O1 D83229 [0,1,0,0,0,0|1,0,1]=3 305 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 C75325 [0,1,0,0,0,0|2,0,0]=3 306 B12R2.606 OC1=CC2=C(C=C1)N=C(S)N2 W18405 [0,1,0,0,0,0|2,0,0]=3 307 B12R2.606 OC1=CC2=C(C=C1)SC(Cl)=N2 C72085 [0,1,0,0,0,0|1,1,0]=3 308 B12R2.606 OC1=NC2=C(C=C(F)C=C2)S1 F15029 [0,1,0,0,0,0|1,1,0]=3 309 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)N1 C10561 [0,1,0,0,0,0|2,0,1]=4 310 B12R2.606 SC1=NC2=NC=C(Br)C=C2S1 AT11256 [0,1,0,0,0,0|2,1,0]=4 311 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [0,0,1,0,0,0|0,0,2]=3 312 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [0,0,1,0,0,0|1,0,2]=4 313 B10R1.4 CCOC1=CC=CN=C1F AC1769 [0,0,1,0,0,0|2,0,1]=4 314 B10R1.4 CCOC1=CC=CNC1=O N13107 [0,0,1,0,0,0|2,0,1]=4 315 B10R1.4 CCOC1=NC=CC=C1O 79061 [0,0,1,0,0,0|2,0,1]=4 316 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [0,0,1,0,0,0|2,0,0]=3 317 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [0,0,1,0,0,0|2,0,1]=4 318 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [0,0,1,0,0,0|2,0,1]=4 319 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [0,0,1,0,0,0|3,0,0]=4 320 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [0,0,1,0,0,0|3,0,0]=4 321 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [0,0,1,0,0,0|3,0,0]=4 322 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [0,0,1,0,0,0|3,0,0]=4 323 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,1,0,0,0|2,0,1]=4 324 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,1,0,0,0|0,0,2]=3 325 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,1,0,0,0|2,0,0]=3 326 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,1,0,0,0|2,0,1]=4 327 B10R2.2 NC1=NC2=C(C=CS2)S1 93682 [0,0,0,0,1,0|2,1,0]=4 328 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,0,1,0|2,0,0]=3 329 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 C76515 [0,0,0,0,0,1|2,0,0]=3 330 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 39321 [0,0,0,0,0,1|3,0,0]=4 331 B12R2.24 BrC1=CC2=CN=CC=C2N=C1 C73415 [0,0,0,0,0,1|3,0,0]=4 332 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 SC1031 [0,0,0,0,0,1|3,0,0]=4 333 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 O10704 [0,0,0,0,0,1|2,0,0]=3 334 B12R2.24 BrC1=NC2=NC=CC=C2C=C1 W18658 [0,0,0,0,0,1|3,0,0]=4 335 B12R2.24 CC1=NC2=NC=CN=C2C=C1 C72942 [0,0,0,0,0,1|3,0,0]=4 336 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,0,0,1|3,0,0]=4 337 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,0,0,1|3,0,0]=4 338 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,0,0,1|0,0,2]=3 339 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,0,0,1|0,0,2]=3 340 B12R2.24 ClC1=CC2=CC=CC=C2N=N1 32281 [0,0,0,0,0,1|2,0,0]=3 341 B12R2.24 ClC1=CC2=CC=CN=C2N=C1 C74810 [0,0,0,0,0,1|3,0,0]=4 342 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 68776 [0,0,0,0,0,1|3,0,0]=4 343 B12R2.24 ClC1=NC2=CC=CN=C2N=C1 27771 [0,0,0,0,0,1|3,0,0]=4 344 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 38277 [0,0,0,0,0,1|3,0,0]=4 345 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 F20209 [0,0,0,0,0,1|3,0,0]=4 346 B12R2.24 ClC1=NC2=NC=CC=C2C=N1 37149 [0,0,0,0,0,1|3,0,0]=4 347 B12R2.24 ClC1=NC2=NC=CC=C2N=C1 27118 [0,0,0,0,0,1|3,0,0]=4 348 B12R2.24 FC1=CC2=CC=CC=C2N=C1 F30311 [0,0,0,0,0,1|2,0,0]=3 349 B12R2.24 FC1=NC2=CC=CC=C2C=C1 H10138 [0,0,0,0,0,1|2,0,0]=3 350 B12R2.24 IC1=CC2=CC=CC=C2N=C1 AB9519 [0,0,0,0,0,1|2,0,0]=3 351 B12R2.24 IC1=NC2=CC=CC=C2C=C1 71122 [0,0,0,0,0,1|2,0,0]=3 352 B12R2.24 IC1=NC2=CC=CC=C2C=N1 W17116 [0,0,0,0,0,1|2,0,0]=3 353 B12R2.24 NC1=CC2=NC=CC=C2N=C1 86466 [0,0,0,0,0,1|3,0,0]=4 354 B12R2.24 NC1=NC2=CC=CN=C2C=C1 C15126 [0,0,0,0,0,1|3,0,0]=4 355 B12R2.24 NC1=NC2=NC=CC=C2C=C1 26493 [0,0,0,0,0,1|3,0,0]=4 356 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,0,0,0,0,1|2,0,1]=4 357 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,0,0,0,0,1|2,0,1]=4 358 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,0,0,0,0,1|2,0,1]=4 359 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,0,0,1|2,0,0]=3 360 B12R2.24 O=C1C=NC2=CC=CN=C2N1 O12061 [0,0,0,0,0,1|3,0,0]=4 361 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,0,0,1|2,0,1]=4 362 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [0,0,0,0,0,1|2,0,1]=4 363 B12R2.24 O=C1COC2=C(C=CN=C2)N1 83761 [0,0,0,0,0,1|2,0,1]=4 364 B12R2.24 O=C1COC2=C(C=NC=C2)N1 84022 [0,0,0,0,0,1|2,0,1]=4 365 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,0,0,1|2,0,1]=4 366 B12R2.24 OC1=NC2=CC=CN=C2C=C1 68775 [0,0,0,0,0,1|3,0,0]=4 367 B12R2.24 OC1=NC2=CN=CC=C2C=C1 F30771 [0,0,0,0,0,1|3,0,0]=4 368 B12R2.24 SC1=CC2=CC=CC=C2N=C1 D83175 [0,0,0,0,0,1|2,0,0]=3 369 B12R2.24 [O-]C1=CC2=CC=CC=C2C=C1 A12912 [0,0,0,0,0,1|3,0,0]=4 370 B12R2.1041 NC1=CC2=CC=CC=CC2=C1 C75362 [0,0,0,0,0,1|3,0,0]=4 371 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,1,0,0,0|2,0,0]=4 372 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [1,0,1,0,0,0|0,0,2]=4 373 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,0,1,0,0,0|1,0,1]=4 374 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,0,1,0,0,0|1,0,1]=4 375 B9R1.15 COC1=C(Br)C=CN=C1 26564 [1,0,1,0,0,0|2,0,0]=4 376 B9R1.15 COC1=C(I)C=CN=C1 D82954 [1,0,1,0,0,0|2,0,0]=4 377 B9R1.15 COC1=C(N)C=CN=C1 35474 [1,0,1,0,0,0|1,0,1]=4 378 B9R1.15 COC1=C(O)C=NC=C1 79066 [1,0,1,0,0,0|2,0,0]=4 379 B9R1.15 COC1=NC=CC=C1C C73664 [1,0,1,0,0,0|2,0,0]=4 380 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,0,1,0,0,0|2,0,0]=4 381 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [1,0,1,0,0,0|2,0,0]=4 382 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [1,0,1,0,0,0|2,0,0]=4 383 B11R1.13 CCOC1=C(N)C(N)=CC=C1 79683 [0,1,1,0,0,0|0,0,2]=4 384 B11R1.13 CCOC1=CC=CC(F)=C1N D84510 [0,1,1,0,0,0|0,0,2]=4 385 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [0,1,1,0,0,0|1,0,1]=4 386 B11R1.17 CC1=C(OCCBr)C=CC=C1 71086 [0,1,1,0,0,0|1,0,1]=4 387 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [0,1,1,0,0,0|0,0,2]=4 388 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [0,1,1,0,0,0|1,0,1]=4 389 B11R1.17 FC1=C(OCCBr)C=CC=C1 F50418 [0,1,1,0,0,0|1,0,1]=4 390 B11R1.41 CNCC1=C(CO)C=CC=C1 31935 [0,1,1,0,0,0|2,0,0]=4 391 B11R1.41 COC1=C(CC=O)C=CC=C1 29933 [0,1,1,0,0,0|2,0,0]=4 392 B11R1.81 CCCC1=C(O)C=C(O)C=C1 C73634 [0,1,1,0,0,0|1,0,1]=4 393 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C75445 [0,1,1,0,0,0|1,0,1]=4 394 B11R1.81 CCOC1=C(F)C=C(O)C=C1 36938 [0,1,1,0,0,0|1,0,1]=4 395 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,1,1,0,0,0|1,0,1]=4 396 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [0,1,1,0,0,0|1,0,1]=4 397 B11R1.182 C=CCC1=C(O)C=CC(C)=C1 D96076 [0,1,1,0,0,0|1,0,1]=4 398 B11R1.182 CNCC1=C(O)C=CC(Cl)=C1 31930 [0,1,1,0,0,0|2,0,0]=4 399 B11R1.182 CNCC1=C(O)C=CC(F)=C1 32252 [0,1,1,0,0,0|2,0,0]=4 400 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [0,1,1,0,0,0|1,0,1]=4 401 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [0,1,1,0,0,0|1,0,1]=4 402 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,1,1,0,0,0|1,0,1]=4 403 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,1,1,0,0,0|2,0,0]=4 404 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,1,0,0,0|2,0,0]=4 405 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,1,0,0,0|1,0,1]=4 406 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,1,0,0,0|1,0,1]=4 407 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,1,1,0,0,0|2,0,0]=4 408 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,1,1,0,0,0|1,0,1]=4 409 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,1,1,0,0,0|1,0,0]=3 410 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,1,1,0,0,0|0,0,2]=4 411 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,1,0,0,0|1,0,1]=4 412 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,1,1,0,0,0|0,0,2]=4 413 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,1,1,0,0,0|0,0,2]=4 414 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,1,1,0,0,0|1,0,1]=4 415 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,1,1,0,0,0|2,0,0]=4 416 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,1,0,0,0|1,0,1]=4 417 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,1,1,0,0,0|0,0,2]=4 418 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,1,1,0,0,0|1,0,0]=3 419 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,1,1,0,0,0|1,0,0]=3 420 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [0,1,1,0,0,0|1,0,1]=4 421 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [0,1,1,0,0,0|1,0,1]=4 422 B11R1.157 N=C(N)NC1=CC=CC(Br)=C1 C16548 [0,1,1,0,0,0|2,0,0]=4 423 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [0,1,1,0,0,0|2,0,0]=4 424 B11R2.1 BrC1=COC2=C1C=CC=N2 D82844 [1,1,0,0,0,0|2,0,0]=4 425 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,1,0,0,0,0|2,0,0]=4 426 B11R2.1 CN1C=NC2=C1C=CN=C2 D95006 [1,1,0,0,0,0|2,0,0]=4 427 B11R2.1 CN1C=NC2=NC=CC=C21 27557 [1,1,0,0,0,0|2,0,0]=4 428 B11R2.1 ClC1=C2C=CC=CN2N=C1 W16953 [1,1,0,0,0,0|2,0,0]=4 429 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [1,1,0,0,0,0|1,0,0]=3 430 B11R2.1 IC1=C2C=CC=CN2N=C1 70375 [1,1,0,0,0,0|2,0,0]=4 431 B11R2.1 NC1=C2C=CC=CN2N=C1 C14671 [1,1,0,0,0,0|2,0,0]=4 432 B11R2.1 NC1=C2C=CC=CN2N=C1 E70398 [1,1,0,0,0,0|2,0,0]=4 433 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [1,1,0,0,0,0|1,0,1]=4 434 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [1,1,0,0,0,0|1,1,0]=4 435 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [1,1,0,0,0,0|2,0,0]=4 436 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 25694 [1,1,0,0,0,0|2,0,0]=4 437 B11R2.36 BrC1=CC2=NC=NN2C=C1 26953 [1,1,0,0,0,0|2,0,0]=4 438 B11R2.36 BrC1=CN=C2N=CSC2=C1 D85434 [1,1,0,0,0,0|1,1,0]=4 439 B11R2.36 BrC1=CN=C2OC=CC2=C1 83432 [1,1,0,0,0,0|2,0,0]=4 440 B11R2.36 BrC1=CN=C2OC=NC2=C1 27466 [1,1,0,0,0,0|1,0,0]=3 441 B11R2.36 BrC1=NC2=C(C=C1)N=CS2 F17941 [1,1,0,0,0,0|1,1,0]=4 442 B11R2.36 BrC1=NC2=C(C=C1)NC=N2 82840 [1,1,0,0,0,0|2,0,0]=4 443 B11R2.36 BrC1=NC2=C(C=C1)OC=N2 AC3911 [1,1,0,0,0,0|1,0,0]=3 444 B11R2.36 BrC1=NC=C2N=CSC2=C1 F18556 [1,1,0,0,0,0|1,1,0]=4 445 B11R2.36 CC1=CC2=C(C=C1)SC=C2 F11127 [1,1,0,0,0,0|1,1,0]=4 446 B11R2.36 CC1=CC2=C(C=CS2)C=C1 C73204 [1,1,0,0,0,0|1,1,0]=4 447 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 20529 [1,1,0,0,0,0|2,0,0]=4 448 B11R2.36 CC1=NC2=C(C=C1)N=CN2 C74433 [1,1,0,0,0,0|2,0,0]=4 449 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 53583 [1,1,0,0,0,0|2,0,0]=4 450 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 W17078 [1,1,0,0,0,0|0,0,0]=2 451 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [1,1,0,0,0,0|1,0,1]=4 452 B11R2.36 ClC1=CC2=C(C=C1)ON=C2 D78570 [1,1,0,0,0,0|2,0,0]=4 453 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [1,1,0,0,0,0|2,0,0]=4 454 B11R2.36 ClC1=CC2=CC=NN2C=C1 C71350 [1,1,0,0,0,0|2,0,0]=4 455 B11R2.36 ClC1=CC2=NC=NN2C=C1 AC4225 [1,1,0,0,0,0|2,0,0]=4 456 B11R2.36 ClC1=CN=C2C=COC2=C1 W16842 [1,1,0,0,0,0|2,0,0]=4 457 B11R2.36 ClC1=CN=C2NC=NC2=C1 24354 [1,1,0,0,0,0|2,0,0]=4 458 B11R2.36 ClC1=NC2=C(C=C1)OC=C2 P11783 [1,1,0,0,0,0|2,0,0]=4 459 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [1,1,0,0,0,0|1,0,1]=4 460 B11R2.36 FC1=CC2=C(C=C1)N=CS2 F14497 [1,1,0,0,0,0|0,1,0]=3 461 B11R2.36 FC1=CC2=C(C=C1)NN=N2 O11430 [1,1,0,0,0,0|2,0,0]=4 462 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F30233 [1,1,0,0,0,0|1,0,0]=3 463 B11R2.36 FC1=CC2=C(C=C1)OCO2 AC4347 [1,1,0,0,0,0|1,0,1]=4 464 B11R2.36 FC1=CC2=C(C=C1)SC=N2 C13797 [1,1,0,0,0,0|0,1,0]=3 465 B11R2.36 FC1=CC2=C(C=CS2)C=C1 P15213 [1,1,0,0,0,0|1,1,0]=4 466 B11R2.36 FC1=CN2C=CN=C2C=C1 O11594 [1,1,0,0,0,0|2,0,0]=4 467 B11R2.36 IC1=CC2=C(C=C1)N=CS2 Y11641 [1,1,0,0,0,0|0,1,0]=3 468 B11R2.36 IC1=CC2=C(C=C1)ON=C2 C77293 [1,1,0,0,0,0|2,0,0]=4 469 B11R2.36 NC1=CC2=C(C=C1)C=NO2 26398 [1,1,0,0,0,0|2,0,0]=4 470 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [1,1,0,0,0,0|1,0,1]=4 471 B11R2.36 NC1=CC2=C(C=C1)N=NS2 F51398 [1,1,0,0,0,0|1,1,0]=4 472 B11R2.36 NC1=CC2=C(C=C1)OCO2 D97371 [1,1,0,0,0,0|1,0,1]=4 473 B11R2.36 NC1=CC2=C(C=CO2)C=C1 D70068 [1,1,0,0,0,0|1,0,0]=3 474 B11R2.36 NC1=CC2=CC=NN2C=C1 51009 [1,1,0,0,0,0|2,0,0]=4 475 B11R2.36 NC1=NC2=C(C=C1)NC=N2 30323 [1,1,0,0,0,0|2,0,0]=4 476 B11R2.36 OC1=CC2=C(C=C1)C=NO2 24777 [1,1,0,0,0,0|2,0,0]=4 477 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [1,1,0,0,0,0|1,0,1]=4 478 B11R2.36 OC1=CC2=C(C=C1)N=CO2 D77541 [1,1,0,0,0,0|0,0,0]=2 479 B11R2.36 OC1=CC2=C(C=C1)OC=N2 AC4843 [1,1,0,0,0,0|0,0,0]=2 480 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [1,1,0,0,0,0|1,0,1]=4 481 B11R2.36 OC1=CC2=C(C=C1)SC=C2 59802 [1,1,0,0,0,0|1,1,0]=4 482 B11R2.36 OC1=CC2=C(C=C1)SC=N2 C76461 [1,1,0,0,0,0|0,1,0]=3 483 B11R2.36 OC1=CC2=C(C=CO2)C=C1 84605 [1,1,0,0,0,0|1,0,0]=3 484 B11R2.36 OC1=CC2=CC=NN2C=C1 F14487 [1,1,0,0,0,0|2,0,0]=4 485 B11R2.36 OC1=CC2=NC=CN2C=C1 F17865 [1,1,0,0,0,0|2,0,0]=4 486 B11R2.36 OC1=CC2=NC=NN2C=C1 C13764 [1,1,0,0,0,0|2,0,0]=4 487 B11R2.36 OC1=CN2C=CN=C2C=C1 C76929 [1,1,0,0,0,0|2,0,0]=4 488 B11R2.106 BrC1=C2C=NOC2=CC=C1 27210 [1,1,0,0,0,0|2,0,0]=4 489 B11R2.106 BrC1=C2N=CNC2=NC=C1 37425 [1,1,0,0,0,0|2,0,0]=4 490 B11R2.106 BrC1=C2NC=NC2=NC=C1 80794 [1,1,0,0,0,0|2,0,0]=4 491 B11R2.106 BrC1=C2OC=CC2=CN=C1 F11867 [1,1,0,0,0,0|2,0,0]=4 492 B11R2.106 BrC1=C2OCOC2=CC=C1 67234 [1,1,0,0,0,0|1,0,1]=4 493 B11R2.106 BrC1=C2ON=CC2=CC=C1 38088 [1,1,0,0,0,0|2,0,0]=4 494 B11R2.106 BrC1=C2SC=NC2=CN=C1 D80297 [1,1,0,0,0,0|1,1,0]=4 495 B11R2.106 BrC1=C2SN=NC2=CC=C1 F30547 [1,1,0,0,0,0|1,1,0]=4 496 B11R2.106 BrC1=CC=CC2=NC=NN12 83010 [1,1,0,0,0,0|2,0,0]=4 497 B11R2.106 BrC1=CC=CN2N=CC=C12 D72087 [1,1,0,0,0,0|2,0,0]=4 498 B11R2.106 BrC1=NC=CC2=C1C=CO2 D96576 [1,1,0,0,0,0|2,0,0]=4 499 B11R2.106 CC1=C2CC=CC2=CC=C1 Y10332 [1,1,0,0,0,0|2,0,0]=4 500 B11R2.106 CC1=CC=CC2=C1C=CS2 C72689 [1,1,0,0,0,0|1,1,0]=4 501 B11R2.106 CC1=CC=CN2C=CN=C12 F30773 [1,1,0,0,0,0|2,0,0]=4 502 B11R2.106 ClC1=C2CC=CC2=CC=C1 C75442 [1,1,0,0,0,0|2,0,0]=4 503 B11R2.106 ClC1=C2CCOC2=CC=C1 52389 [1,1,0,0,0,0|1,0,1]=4 504 B11R2.106 ClC1=C2N=COC2=CC=C1 D76689 [1,1,0,0,0,0|0,0,0]=2 505 B11R2.106 ClC1=C2N=CSC2=CC=C1 25561 [1,1,0,0,0,0|0,1,0]=3 506 B11R2.106 ClC1=C2NC=NC2=CN=C1 57283 [1,1,0,0,0,0|2,0,0]=4 507 B11R2.106 ClC1=C2NN=NC2=CC=C1 C76113 [1,1,0,0,0,0|2,0,0]=4 508 B11R2.106 ClC1=C2OC=CC2=CC=C1 AC5711 [1,1,0,0,0,0|1,0,0]=3 509 B11R2.106 ClC1=C2OC=CC2=NC=C1 37526 [1,1,0,0,0,0|2,0,0]=4 510 B11R2.106 ClC1=C2SC=CC2=CC=C1 82930 [1,1,0,0,0,0|1,1,0]=4 511 B11R2.106 ClC1=CC=CC2=NSN=C12 D70733 [1,1,0,0,0,0|2,0,0]=4 512 B11R2.106 ClC1=NC=CC2=C1N=CS2 50585 [1,1,0,0,0,0|1,1,0]=4 513 B11R2.106 ClC1=NC=CC2=C1OC=C2 37668 [1,1,0,0,0,0|2,0,0]=4 514 B11R2.106 FC1=C2N=COC2=CC=C1 AC4244 [1,1,0,0,0,0|0,0,0]=2 515 B11R2.106 FC1=C2OC=CC2=CC=C1 52893 [1,1,0,0,0,0|1,0,0]=3 516 B11R2.106 FC1=C2SC=CC2=CC=C1 F13949 [1,1,0,0,0,0|1,1,0]=4 517 B11R2.106 FC1=CC=CC2=C1C=CS2 70408 [1,1,0,0,0,0|1,1,0]=4 518 B11R2.106 FC1=CC=CC2=C1N=CS2 E70373 [1,1,0,0,0,0|0,1,0]=3 519 B11R2.106 FC1=CC=CC2=NON=C12 FD10636 [1,1,0,0,0,0|2,0,0]=4 520 B11R2.106 FC1=CC=CN2C=CN=C12 O11674 [1,1,0,0,0,0|2,0,0]=4 521 B11R2.106 IC1=C2N=CNC2=NC=C1 P11613 [1,1,0,0,0,0|2,0,0]=4 522 B11R2.106 IC1=C2NC=CC2=CC=C1 94618 [1,1,0,0,0,0|1,0,1]=4 523 B11R2.106 IC1=CC=CC2=CC=NN12 76417 [1,1,0,0,0,0|2,0,0]=4 524 B11R2.106 NC1=C2OC=CC2=CC=C1 F20181 [1,1,0,0,0,0|1,0,0]=3 525 B11R2.106 NC1=C2OC=CC2=CC=C1 P16876 [1,1,0,0,0,0|1,0,0]=3 526 B11R2.106 NC1=C2OCCC2=CC=C1 Y10505 [1,1,0,0,0,0|1,0,1]=4 527 B11R2.106 NC1=C2OCOC2=CC=C1 25897 [1,1,0,0,0,0|1,0,1]=4 528 B11R2.106 NC1=C2SC=NC2=CC=C1 27175 [1,1,0,0,0,0|0,1,0]=3 529 B11R2.106 NC1=CC=CC2=C1C=CO2 52950 [1,1,0,0,0,0|1,0,0]=3 530 B11R2.106 NC1=CC=CC2=C1C=CS2 51426 [1,1,0,0,0,0|1,1,0]=4 531 B11R2.106 NC1=CC=CC2=C1C=CS2 Y11369 [1,1,0,0,0,0|1,1,0]=4 532 B11R2.106 NC1=CC=CC2=C1N=CS2 79115 [1,1,0,0,0,0|0,1,0]=3 533 B11R2.106 NC1=CC=CC2=C1N=NS2 F20183 [1,1,0,0,0,0|1,1,0]=4 534 B11R2.106 NC1=CC=CC2=C1NC=N2 26687 [1,1,0,0,0,0|1,0,0]=3 535 B11R2.106 NC1=CC=CN2N=CN=C12 P10173 [1,1,0,0,0,0|2,0,0]=4 536 B11R2.106 NC1=NC=CC2=C1C=CO2 92019 [1,1,0,0,0,0|2,0,0]=4 537 B11R2.106 NC1=NC=CC2=C1N=CN2 70877 [1,1,0,0,0,0|2,0,0]=4 538 B11R2.106 NC1=NC=CC2=C1NC=N2 38925 [1,1,0,0,0,0|2,0,0]=4 539 B11R2.106 O=C1NC=CC2=C1NC=N2 F17530 [1,1,0,0,0,0|2,0,0]=4 540 B11R2.106 O=C1NC=CC2=C1OC=C2 P10185 [1,1,0,0,0,0|2,0,0]=4 541 B11R2.106 OC1=C2N=NNC2=CC=C1 H10523 [1,1,0,0,0,0|2,0,0]=4 542 B11R2.106 OC1=C2OC=CC2=CC=C1 70790 [1,1,0,0,0,0|1,0,0]=3 543 B11R2.106 OC1=C2OCOC2=CC=C1 Y13605 [1,1,0,0,0,0|1,0,1]=4 544 B11R2.106 OC1=CC=CC2=C1N=CO2 F17479 [1,1,0,0,0,0|0,0,0]=2 545 B11R2.106 OC1=CC=CN2N=CC=C12 90001 [1,1,0,0,0,0|2,0,0]=4 546 B11R2.106 OC1=NC=CC2=C1N=CN2 80699 [1,1,0,0,0,0|2,0,0]=4 547 B11R2.106 [O-][N+]1=C2NC=NC2=CC=C1 73835 [1,1,0,0,0,0|2,0,0]=4 548 B13R2.32 CC1=C(Br)C=NC2=CC=CC=C21 C75769 [0,1,0,0,0,1|2,0,0]=4 549 B13R2.32 CC1=C(N)C=NC2=CC=CC=C21 84297 [0,1,0,0,0,1|2,0,0]=4 550 B13R2.32 CC1=C(N)N=CC2=CC=CC=C21 D94798 [0,1,0,0,0,1|2,0,0]=4 551 B13R2.32 CC1=C(O)C2=CC=CC=C2N=C1 AC6544 [0,1,0,0,0,1|1,0,0]=3 552 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 C75922 [0,1,0,0,0,1|2,0,0]=4 553 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 27243 [0,1,0,0,0,1|2,0,0]=4 554 B13R2.32 NC1=C(N)C2=CC=CC=C2N=C1 C11386 [0,1,0,0,0,1|2,0,0]=4 555 B13R2.32 NC1=C(O)C2=CC=CC=C2N=C1 C77388 [0,1,0,0,0,1|2,0,0]=4 556 B13R2.32 NC1=COC2=C(C=CC=C2)C1=O 50132 [0,1,0,0,0,1|2,0,0]=4 557 B13R2.32 OC1=C(Br)C2=CC=CC=C2N=C1 79295 [0,1,0,0,0,1|2,0,0]=4 558 B13R2.57 BrCC1=NC2=CC=CC=C2N=C1 68628 [0,1,0,0,0,1|1,0,0]=3 559 B13R2.57 BrC[C@H]1CCC2=C(C=CC=C2)O1 24185 [0,1,0,0,0,1|1,0,1]=4 560 B13R2.57 C#CC1=CC2=CC=CC=C2N=C1 D76283 [0,1,0,0,0,1|1,0,1]=4 561 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 80295 [0,1,0,0,0,1|1,0,1]=4 562 B13R2.57 COC1=CC2=CC=NC=C2C=N1 66261 [0,1,0,0,0,1|2,0,0]=4 563 B13R2.57 COC1=NC2=CC=CC=C2C=C1 W11244 [0,1,0,0,0,1|1,0,0]=3 564 B13R2.57 CSC1=NC2=CC=NC=C2C=N1 P18116 [0,1,0,0,0,1|2,0,0]=4 565 B13R2.57 ClCC1=CC2=CC=CC=C2C=N1 C72814 [0,1,0,0,0,1|1,0,0]=3 566 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 S11826 [0,1,0,0,0,1|1,0,0]=3 567 B13R2.57 N#CC1=NC2=CC=CC=C2N=C1 AC2537 [0,1,0,0,0,1|1,0,1]=4 568 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 27594 [0,1,0,0,0,1|1,0,0]=3 569 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 C73130 [0,1,0,0,0,1|1,0,0]=3 570 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 C15569 [0,1,0,0,0,1|1,0,0]=3 571 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 78918 [0,1,0,0,0,1|1,0,0]=3 572 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50365 [0,1,0,0,0,1|1,0,1]=4 573 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 BL002914 [0,1,0,0,0,1|1,0,0]=3 574 B13R2.57 OCC1=NC2=CC=CC=C2N=C1 68418 [0,1,0,0,0,1|1,0,0]=3 575 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10628 [0,1,0,0,0,1|1,0,1]=4 576 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10630 [0,1,0,0,0,1|1,0,1]=4 577 B13R2.155 BrC1=CC=C2C=CC(Br)=NC2=C1 78703 [0,1,0,0,0,1|2,0,0]=4 578 B13R2.155 BrC1=CN=C2C=CC(I)=CC2=C1 C73886 [0,1,0,0,0,1|2,0,0]=4 579 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 71004 [0,1,0,0,0,1|2,0,0]=4 580 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 I11455 [0,1,0,0,0,1|1,0,0]=3 581 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 97613 [0,1,0,0,0,1|2,0,0]=4 582 B13R2.155 CC1=CC=C2C=CC(O)=CC2=C1 N12964 [0,1,0,0,0,1|2,0,0]=4 583 B13R2.155 CC1=CC=C2C=CC(O)=CC2=N1 AC4651 [0,1,0,0,0,1|1,0,0]=3 584 B13R2.155 CC1=CC=C2N=CC(Cl)=NC2=C1 26998 [0,1,0,0,0,1|2,0,0]=4 585 B13R2.155 CC1=CN=C2C=CC(Br)=CC2=C1 AC8709 [0,1,0,0,0,1|1,0,0]=3 586 B13R2.155 CC1=NC=C2C=CC(Cl)=CC2=C1 C72624 [0,1,0,0,0,1|1,0,0]=3 587 B13R2.155 C[C@H]1CNC2=C(C=C(Br)C=C2)O1 77196 [0,1,0,0,0,1|0,0,2]=4 588 B13R2.155 C[C@H]1COC2=C(C=C(Br)C=C2)N1 51780 [0,1,0,0,0,1|0,0,2]=4 589 B13R2.155 ClC1=CC=C2C=NC(Br)=CC2=C1 D84720 [0,1,0,0,0,1|2,0,0]=4 590 B13R2.155 ClC1=CC=C2C=NC(Cl)=NC2=C1 F15786 [0,1,0,0,0,1|2,0,0]=4 591 B13R2.155 ClC1=CC=C2N=CC(Br)=CC2=C1 80390 [0,1,0,0,0,1|2,0,0]=4 592 B13R2.155 ClC1=CC=C2N=CC(Cl)=NC2=C1 58410 [0,1,0,0,0,1|2,0,0]=4 593 B13R2.155 ClC1=CN=C2C=CC(Br)=CC2=C1 80407 [0,1,0,0,0,1|2,0,0]=4 594 B13R2.155 ClC1=NC=C2C=CC(Br)=CC2=C1 26283 [0,1,0,0,0,1|2,0,0]=4 595 B13R2.155 ClC1=NC=C2C=CC(I)=CC2=N1 D83979 [0,1,0,0,0,1|2,0,0]=4 596 B13R2.155 FC1=CC=C2C=CC(Br)=NC2=C1 D71006 [0,1,0,0,0,1|2,0,0]=4 597 B13R2.155 FC1=CC=C2C=NC(Cl)=CC2=C1 96184 [0,1,0,0,0,1|2,0,0]=4 598 B13R2.155 FC1=CC=C2C=NC(Cl)=NC2=C1 F15885 [0,1,0,0,0,1|2,0,0]=4 599 B13R2.155 FC1=CC=C2N=CC(Br)=CC2=C1 80396 [0,1,0,0,0,1|2,0,0]=4 600 B13R2.155 FC1=NC=C2C=CC(Br)=CC2=C1 87627 [0,1,0,0,0,1|2,0,0]=4 601 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=N1 82402 [0,1,0,0,0,1|2,0,0]=4 602 B13R2.155 NC1=CC=C2C=CC(Cl)=CC2=N1 72244 [0,1,0,0,0,1|2,0,0]=4 603 B13R2.155 NC1=CC=C2N=CC(Cl)=CC2=C1 33243 [0,1,0,0,0,1|2,0,0]=4 604 B13R2.155 NC1=CC=C2N=CC(Cl)=NC2=C1 D70960 [0,1,0,0,0,1|2,0,0]=4 605 B13R2.155 NC1=CC=C2N=CC(F)=CC2=C1 86894 [0,1,0,0,0,1|2,0,0]=4 606 B13R2.155 NC1=CN=C2C=CC(Br)=CC2=C1 80351 [0,1,0,0,0,1|2,0,0]=4 607 B13R2.155 NC1=CN=C2C=CC(Cl)=CC2=C1 80340 [0,1,0,0,0,1|2,0,0]=4 608 B13R2.155 NC1=CN=C2C=CC(F)=CC2=C1 68616 [0,1,0,0,0,1|2,0,0]=4 609 B13R2.155 NC1=CN=C2C=CC(O)=CC2=C1 80347 [0,1,0,0,0,1|2,0,0]=4 610 B13R2.155 NC1=NC=C2C=CC(Cl)=CC2=C1 68524 [0,1,0,0,0,1|2,0,0]=4 611 B13R2.155 NC1=NC=C2C=CC(F)=CC2=C1 68512 [0,1,0,0,0,1|2,0,0]=4 612 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)O1 AC2173 [0,1,0,0,0,1|2,0,0]=4 613 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 52463 [0,1,0,0,0,1|2,0,0]=4 614 B13R2.155 O=C1C=NC2=C(C=C(Cl)C=C2)N1 57586 [0,1,0,0,0,1|2,0,0]=4 615 B13R2.155 O=C1C=NC2=C(C=C(F)C=C2)N1 D85368 [0,1,0,0,0,1|2,0,0]=4 616 B13R2.155 O=C1NC2=C(C=CC(Cl)=C2)CO1 AC5584 [0,1,0,0,0,1|1,0,1]=4 617 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 W16896 [0,1,0,0,0,1|2,0,0]=4 618 B13R2.155 OC1=CC=C2C=NC(Cl)=CC2=C1 79087 [0,1,0,0,0,1|2,0,0]=4 619 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 80395 [0,1,0,0,0,1|2,0,0]=4 620 B13R2.155 OC1=CC=C2N=CC(Cl)=NC2=C1 D80258 [0,1,0,0,0,1|2,0,0]=4 621 B13R2.155 OC1=CC=C2N=CC(F)=CC2=C1 80397 [0,1,0,0,0,1|2,0,0]=4 622 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 C76988 [0,1,0,0,0,1|2,0,0]=4 623 B13R2.155 OC1=CN=C2C=CC(Br)=CC2=C1 83287 [0,1,0,0,0,1|2,0,0]=4 624 B13R2.155 OC1=CN=C2C=CC(Cl)=CC2=C1 33286 [0,1,0,0,0,1|2,0,0]=4 625 B13R2.155 OC1=CN=C2C=CC(F)=CC2=C1 33295 [0,1,0,0,0,1|2,0,0]=4 626 B13R2.155 OC1=NC=C2C=CC(F)=CC2=C1 O11595 [0,1,0,0,0,1|2,0,0]=4 627 B13R2.162 BrC1=NC2=C(Br)C=CC=C2C=C1 AR3599 [0,1,0,0,0,1|2,0,0]=4 628 B13R2.162 CC1=CC2=C(N)C=CC=C2C=N1 96525 [0,1,0,0,0,1|1,0,0]=3 629 B13R2.162 CC1=CC=C2C=CC=C(Cl)C2=C1 P16840 [0,1,0,0,0,1|2,0,0]=4 630 B13R2.162 CC1=CC=CC2=C1NC(=O)CO2 AC5872 [0,1,0,0,0,1|1,0,1]=4 631 B13R2.162 CC1=CC=CC2=C1NC(=O)OC2 AC4546 [0,1,0,0,0,1|1,0,1]=4 632 B13R2.162 CC1=CN=C2C=CC=C(Br)C2=C1 C15736 [0,1,0,0,0,1|1,0,0]=3 633 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 F12427 [0,1,0,0,0,1|1,0,0]=3 634 B13R2.162 CC1=NC=C2C=CC=C(Br)C2=C1 78671 [0,1,0,0,0,1|1,0,0]=3 635 B13R2.162 ClC1=C2C=C(Br)C=NC2=CC=C1 80405 [0,1,0,0,0,1|2,0,0]=4 636 B13R2.162 ClC1=CN=C2C=CC=C(Br)C2=N1 65020 [0,1,0,0,0,1|2,0,0]=4 637 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2N=C1 27596 [0,1,0,0,0,1|2,0,0]=4 638 B13R2.162 ClC1=NC=C2C=CC=C(I)C2=C1 P20617 [0,1,0,0,0,1|2,0,0]=4 639 B13R2.162 FC1=C2C=C(Br)C=NC2=CC=C1 80406 [0,1,0,0,0,1|2,0,0]=4 640 B13R2.162 FC1=CN=C2C=CC=C(Br)C2=C1 80412 [0,1,0,0,0,1|2,0,0]=4 641 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 33232 [0,1,0,0,0,1|2,0,0]=4 642 B13R2.162 NC1=C2C=C(Cl)C=NC2=CC=C1 33259 [0,1,0,0,0,1|2,0,0]=4 643 B13R2.162 NC1=C2C=C(Cl)N=CC2=CC=C1 F15219 [0,1,0,0,0,1|2,0,0]=4 644 B13R2.162 NC1=C2C=C(F)C=NC2=CC=C1 33211 [0,1,0,0,0,1|2,0,0]=4 645 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=N1 80380 [0,1,0,0,0,1|2,0,0]=4 646 B13R2.162 NC1=CC=C2C=CC=C(Cl)C2=N1 80212 [0,1,0,0,0,1|2,0,0]=4 647 B13R2.162 NC1=CC=C2C=CC=C(F)C2=N1 80374 [0,1,0,0,0,1|2,0,0]=4 648 B13R2.162 NC1=CC=C2C=CC=C(O)C2=N1 F11664 [0,1,0,0,0,1|2,0,0]=4 649 B13R2.162 NC1=CN=C2C=CC=C(Br)C2=C1 80357 [0,1,0,0,0,1|2,0,0]=4 650 B13R2.162 NC1=CN=C2C=CC=C(F)C2=C1 80355 [0,1,0,0,0,1|2,0,0]=4 651 B13R2.162 NC1=CN=C2C=CC=C(O)C2=C1 80356 [0,1,0,0,0,1|2,0,0]=4 652 B13R2.162 NC1=NC=C2C=CC=C(Br)C2=C1 68521 [0,1,0,0,0,1|2,0,0]=4 653 B13R2.162 NC1=NC=C2C=CC=C(Cl)C2=C1 68519 [0,1,0,0,0,1|2,0,0]=4 654 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 F19924 [0,1,0,0,0,1|2,0,0]=4 655 B13R2.162 O=C1C=NC2=CC=CC(Br)=C2N1 76432 [0,1,0,0,0,1|2,0,0]=4 656 B13R2.162 O=C1COC2=CC=CC(Cl)=C2N1 90446 [0,1,0,0,0,1|1,0,1]=4 657 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 90424 [0,1,0,0,0,1|1,0,1]=4 658 B13R2.162 O=C1NC2=C(I)C=CC=C2CO1 81138 [0,1,0,0,0,1|1,0,1]=4 659 B13R2.162 OC1=C2C=C(Br)C=NC2=CC=C1 80399 [0,1,0,0,0,1|2,0,0]=4 660 B13R2.162 OC1=C2C=C(F)C=NC2=CC=C1 80401 [0,1,0,0,0,1|2,0,0]=4 661 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 F30117 [0,1,0,0,0,1|2,0,0]=4 662 B13R2.162 OC1=C2N=C(Cl)N=CC2=CC=C1 F15787 [0,1,0,0,0,1|2,0,0]=4 663 B13R2.162 OC1=CN=C2C=CC=C(F)C2=C1 33309 [0,1,0,0,0,1|2,0,0]=4 664 B13R2.162 OC1=NC=C2C=CC=C(Br)C2=C1 78517 [0,1,0,0,0,1|2,0,0]=4 665 B13R2.222 CC1(C)C=CC2=C(C=CC=C2)O1 D78717 [0,1,0,0,0,1|1,0,1]=4 666 B13R2.222 O=S1(=O)N=CC2=C(C=CC=C2)O1 W19517 [0,1,0,0,0,1|2,0,0]=4 667 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 26785 [0,1,0,0,0,1|2,0,0]=4 668 B13R2.328 BrC1=NC2=CC=CC=C2C(Br)=N1 26787 [0,1,0,0,0,1|2,0,0]=4 669 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [0,1,0,0,0,1|1,0,1]=4 670 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,1,0,0,0,1|2,0,0]=4 671 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 94407 [0,1,0,0,0,1|2,0,0]=4 672 B13R2.328 CC1=CC(N)=NC2=CC=CC=C12 88227 [0,1,0,0,0,1|2,0,0]=4 673 B13R2.328 CC1=CC2=C(C=CC=C2)C(=O)N1 F13592 [0,1,0,0,0,1|1,0,1]=4 674 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 N10649 [0,1,0,0,0,1|2,0,0]=4 675 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 58010 [0,1,0,0,0,1|1,0,0]=3 676 B13R2.328 CC1=CC2=CC=CC=C2C(N)=C1 N13183 [0,1,0,0,0,1|2,0,0]=4 677 B13R2.328 CC1=NC(Cl)=CC2=CC=CC=C21 D80082 [0,1,0,0,0,1|2,0,0]=4 678 B13R2.328 CC1=NC(Cl)=NC2=CC=CC=C21 Y10444 [0,1,0,0,0,1|2,0,0]=4 679 B13R2.328 CC1=NC2=C(C=NC=C2)C(=O)N1 F51927 [0,1,0,0,0,1|2,0,0]=4 680 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 35493 [0,1,0,0,0,1|1,0,0]=3 681 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 27607 [0,1,0,0,0,1|1,0,0]=3 682 B13R2.328 CC1=NC2=CC=CC=C2C(I)=C1 P17848 [0,1,0,0,0,1|1,0,0]=3 683 B13R2.328 CC1=NC2=CC=CN=C2C(Cl)=N1 P11031 [0,1,0,0,0,1|2,0,0]=4 684 B13R2.328 CC1=NC2=CN=CC=C2C(N)=C1 50956 [0,1,0,0,0,1|2,0,0]=4 685 B13R2.328 N=C1NC(Cl)=NC2=C1C=CC=C2 W17737 [0,1,0,0,0,1|2,0,0]=4 686 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 C74900 [0,1,0,0,0,1|2,0,0]=4 687 B13R2.328 NC1=CC2=CC=CC=C2C(Cl)=N1 D97487 [0,1,0,0,0,1|2,0,0]=4 688 B13R2.328 NC1=NC(Cl)=CC2=CC=CC=C21 F52120 [0,1,0,0,0,1|2,0,0]=4 689 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 C74899 [0,1,0,0,0,1|2,0,0]=4 690 B13R2.328 O=C1NC(Cl)=NC2=C1C=CC=C2 F11681 [0,1,0,0,0,1|2,0,0]=4 691 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 27588 [0,1,0,0,0,1|2,0,0]=4 692 B13R2.369 CC1=CC2=CC=CC=C2C=C1C A12662 [0,1,0,0,0,1|2,0,0]=4 693 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 84046 [0,1,0,0,0,1|1,0,0]=3 694 B13R2.369 CC1=NC2=CC=CC=C2N=C1Br AC1545 [0,1,0,0,0,1|1,0,0]=3 695 B13R2.369 CC1=NC2=CC=CC=C2N=C1N Y10497 [0,1,0,0,0,1|1,0,0]=3 696 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,1,0,0,0,1|2,0,0]=4 697 B13R2.369 NC1=CC2=CC=CC=C2N=C1Cl AC1585 [0,1,0,0,0,1|2,0,0]=4 698 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br 25602 [0,1,0,0,0,1|2,0,0]=4 699 B13R2.369 NC1=NC2=CC=CC=C2N=C1N C76088 [0,1,0,0,0,1|2,0,0]=4 700 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl 38522 [0,1,0,0,0,1|2,0,0]=4 701 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,1,0,0,0,1|2,0,0]=4 702 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,1,0,0,0,1|1,0,0]=3 703 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,1,0,0,0,1|1,0,0]=3 704 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl 87954 [0,1,0,0,0,1|2,0,0]=4 705 B13R2.3683 BrC1=CC=C2C=C(Br)N=CC2=C1 D79936 [0,1,0,0,0,1|2,0,0]=4 706 B13R2.3683 BrC1=CC=C2N=C(Br)C=CC2=C1 83932 [0,1,0,0,0,1|2,0,0]=4 707 B13R2.3683 BrC1=CN=C2C=C(I)C=CC2=C1 W17827 [0,1,0,0,0,1|2,0,0]=4 708 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)OC2 AC6638 [0,1,0,0,0,1|1,0,1]=4 709 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 AC7838 [0,1,0,0,0,1|2,0,0]=4 710 B13R2.3683 CC1=CC=C2C=C(I)C=CC2=N1 72392 [0,1,0,0,0,1|1,0,0]=3 711 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 O11612 [0,1,0,0,0,1|2,0,0]=4 712 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=N1 68777 [0,1,0,0,0,1|2,0,0]=4 713 B13R2.3683 CC1=CC=C2N=C(Cl)N=CC2=C1 C71433 [0,1,0,0,0,1|2,0,0]=4 714 B13R2.3683 CC1=CC=C2N=C(N)C=CC2=C1 W10173 [0,1,0,0,0,1|2,0,0]=4 715 B13R2.3683 CC1=CN=C2C=C(Cl)C=CC2=N1 91924 [0,1,0,0,0,1|1,0,0]=3 716 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 30124 [0,1,0,0,0,1|1,0,0]=3 717 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=N1 91917 [0,1,0,0,0,1|1,0,0]=3 718 B13R2.3683 CC1=NC=C2C=C(Cl)C=NC2=C1 P18098 [0,1,0,0,0,1|2,0,0]=4 719 B13R2.3683 CC1=NC=C2C=C(O)C=CC2=C1 W17783 [0,1,0,0,0,1|1,0,0]=3 720 B13R2.3683 C[C@H]1CNC2=C(C=CC(Br)=C2)O1 51776 [0,1,0,0,0,1|0,0,2]=4 721 B13R2.3683 C[C@H]1COC2=C(C=CC(F)=C2)N1 88563 [0,1,0,0,0,1|0,0,2]=4 722 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 80430 [0,1,0,0,0,1|2,0,0]=4 723 B13R2.3683 ClC1=CC=C2C=C(Br)N=CC2=C1 D74439 [0,1,0,0,0,1|2,0,0]=4 724 B13R2.3683 ClC1=CC=C2C=C(I)C=CC2=N1 27702 [0,1,0,0,0,1|2,0,0]=4 725 B13R2.3683 ClC1=CC=C2N=C(Br)C=CC2=C1 83960 [0,1,0,0,0,1|2,0,0]=4 726 B13R2.3683 ClC1=CN=C2C=C(Br)C=CC2=C1 80424 [0,1,0,0,0,1|2,0,0]=4 727 B13R2.3683 ClC1=NC=C2C=C(Br)C=CC2=C1 24369 [0,1,0,0,0,1|2,0,0]=4 728 B13R2.3683 ClC1=NC=C2C=C(I)C=CC2=C1 96191 [0,1,0,0,0,1|2,0,0]=4 729 B13R2.3683 FC1=CC=C2N=C(Br)C=CC2=C1 83961 [0,1,0,0,0,1|2,0,0]=4 730 B13R2.3683 FC1=CC=C2N=C(Cl)N=CC2=C1 84001 [0,1,0,0,0,1|2,0,0]=4 731 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 W17152 [0,1,0,0,0,1|2,0,0]=4 732 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=N1 82326 [0,1,0,0,0,1|2,0,0]=4 733 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 33235 [0,1,0,0,0,1|2,0,0]=4 734 B13R2.3683 NC1=CC=C2C=C(Cl)C=CC2=N1 N12853 [0,1,0,0,0,1|2,0,0]=4 735 B13R2.3683 NC1=CC=C2C=C(Cl)C=NC2=C1 32795 [0,1,0,0,0,1|2,0,0]=4 736 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=N1 27083 [0,1,0,0,0,1|2,0,0]=4 737 B13R2.3683 NC1=CC=C2C=C(I)C=CC2=N1 D85332 [0,1,0,0,0,1|2,0,0]=4 738 B13R2.3683 NC1=CC=C2C=C(O)C=NC2=C1 33248 [0,1,0,0,0,1|2,0,0]=4 739 B13R2.3683 NC1=CC=C2N=C(Cl)C=CC2=C1 80445 [0,1,0,0,0,1|2,0,0]=4 740 B13R2.3683 NC1=CC=C2N=C(Cl)C=NC2=C1 D79712 [0,1,0,0,0,1|2,0,0]=4 741 B13R2.3683 NC1=CC=C2N=C(N)C=CC2=C1 80386 [0,1,0,0,0,1|2,0,0]=4 742 B13R2.3683 NC1=CC=C2N=C(O)C=CC2=C1 CS1137 [0,1,0,0,0,1|2,0,0]=4 743 B13R2.3683 NC1=CN=C2C=C(Br)C=CC2=C1 80378 [0,1,0,0,0,1|2,0,0]=4 744 B13R2.3683 NC1=CN=C2C=C(Cl)C=CC2=C1 80393 [0,1,0,0,0,1|2,0,0]=4 745 B13R2.3683 NC1=CN=C2C=C(F)C=CC2=C1 80403 [0,1,0,0,0,1|2,0,0]=4 746 B13R2.3683 NC1=CN=C2C=C(O)C=CC2=C1 80447 [0,1,0,0,0,1|2,0,0]=4 747 B13R2.3683 NC1=NC=C2C=C(Br)C=CC2=C1 67326 [0,1,0,0,0,1|2,0,0]=4 748 B13R2.3683 O=C1C=CC2=C(C=CC(Cl)=C2)O1 AC5388 [0,1,0,0,0,1|2,0,0]=4 749 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 Y10639 [0,1,0,0,0,1|2,0,0]=4 750 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 69009 [0,1,0,0,0,1|1,0,1]=4 751 B13R2.3683 OC1=CC=C2C=C(Cl)C=NC2=C1 80456 [0,1,0,0,0,1|2,0,0]=4 752 B13R2.3683 OC1=CC=C2C=C(F)C=NC2=C1 80458 [0,1,0,0,0,1|2,0,0]=4 753 B13R2.3683 OC1=CC=C2N=C(Cl)C=NC2=C1 W17777 [0,1,0,0,0,1|2,0,0]=4 754 B13R2.3683 OC1=CN=C2C=C(Br)C=CC2=C1 K10058 [0,1,0,0,0,1|2,0,0]=4 755 B13R2.3683 OC1=CN=C2C=C(F)C=CC2=C1 K10005 [0,1,0,0,0,1|2,0,0]=4 756 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 21029 [0,1,0,0,0,1|2,0,0]=4 757 B13R2.5179 CC1=C2N=CC(Br)=CC2=CC=C1 P17587 [0,1,0,0,0,1|2,0,0]=4 758 B13R2.5179 CC1=CC2=CC=CC(N)=C2N=C1 D72054 [0,1,0,0,0,1|1,0,0]=3 759 B13R2.5179 CC1=CC=C2C(Br)=CC=CC2=N1 AC2042 [0,1,0,0,0,1|1,0,0]=3 760 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 H10153 [0,1,0,0,0,1|1,0,0]=3 761 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 C71537 [0,1,0,0,0,1|2,0,0]=4 762 B13R2.5179 CC1=CN=C2C(O)=CC=CC2=C1 D82795 [0,1,0,0,0,1|1,0,0]=3 763 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 76214 [0,1,0,0,0,1|1,0,0]=3 764 B13R2.5179 CC1=NC=C2C(Br)=CC=CC2=C1 D79826 [0,1,0,0,0,1|1,0,0]=3 765 B13R2.5179 ClC1=C2N=CC(Br)=CC2=CC=C1 33277 [0,1,0,0,0,1|2,0,0]=4 766 B13R2.5179 ClC1=C2N=CC(I)=CC2=CC=C1 95157 [0,1,0,0,0,1|2,0,0]=4 767 B13R2.5179 ClC1=CC=C2C(Br)=CC=CC2=N1 82180 [0,1,0,0,0,1|2,0,0]=4 768 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 80783 [0,1,0,0,0,1|2,0,0]=4 769 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=N1 O10611 [0,1,0,0,0,1|2,0,0]=4 770 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2N=C1 27492 [0,1,0,0,0,1|2,0,0]=4 771 B13R2.5179 ClC1=NC=C2C(Br)=CC=CC2=C1 D79729 [0,1,0,0,0,1|2,0,0]=4 772 B13R2.5179 ClC1=NC=C2C(Br)=CC=CC2=N1 36463 [0,1,0,0,0,1|2,0,0]=4 773 B13R2.5179 FC1=C2C=CC(Cl)=NC2=CC=C1 CL1043 [0,1,0,0,0,1|2,0,0]=4 774 B13R2.5179 FC1=C2N=CC(Br)=CC2=CC=C1 86860 [0,1,0,0,0,1|2,0,0]=4 775 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 87270 [0,1,0,0,0,1|2,0,0]=4 776 B13R2.5179 FC1=CN=C2C(Br)=CC=CC2=C1 21023 [0,1,0,0,0,1|2,0,0]=4 777 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 21043 [0,1,0,0,0,1|2,0,0]=4 778 B13R2.5179 NC1=C2N=CC(Cl)=CC2=CC=C1 21045 [0,1,0,0,0,1|2,0,0]=4 779 B13R2.5179 NC1=C2N=CC(F)=CC2=CC=C1 21041 [0,1,0,0,0,1|2,0,0]=4 780 B13R2.5179 NC1=CC=C2C(Br)=CC=CC2=N1 82208 [0,1,0,0,0,1|2,0,0]=4 781 B13R2.5179 NC1=CC=C2C(Cl)=CC=CC2=N1 C76155 [0,1,0,0,0,1|2,0,0]=4 782 B13R2.5179 NC1=CC=CC2=C1N=CC(=O)N2 D82625 [0,1,0,0,0,1|2,0,0]=4 783 B13R2.5179 NC1=CN=C2C(Br)=CC=CC2=C1 27081 [0,1,0,0,0,1|2,0,0]=4 784 B13R2.5179 NC1=CN=C2C(Cl)=CC=CC2=C1 33239 [0,1,0,0,0,1|2,0,0]=4 785 B13R2.5179 NC1=CN=C2C(F)=CC=CC2=C1 87273 [0,1,0,0,0,1|2,0,0]=4 786 B13R2.5179 NC1=NC=C2C(Br)=CC=CC2=C1 68517 [0,1,0,0,0,1|2,0,0]=4 787 B13R2.5179 NC1=NC=C2C(F)=CC=CC2=N1 AC5050 [0,1,0,0,0,1|2,0,0]=4 788 B13R2.5179 O=C1COC2=C(F)C=CC=C2N1 C15993 [0,1,0,0,0,1|1,0,1]=4 789 B13R2.5179 O=C1N=CC2=C(Cl)C=CC=C2N1 F15806 [0,1,0,0,0,1|2,0,0]=4 790 B13R2.5179 O=C1NC2=CC=CC(Br)=C2CO1 94051 [0,1,0,0,0,1|1,0,1]=4 791 B13R2.5179 O=C1NC2=CC=CC(F)=C2CO1 AC4758 [0,1,0,0,0,1|1,0,1]=4 792 B13R2.5179 OC1=C2N=CC(Br)=CC2=CC=C1 80449 [0,1,0,0,0,1|2,0,0]=4 793 B13R2.5179 OC1=C2N=CC(Cl)=CC2=CC=C1 80448 [0,1,0,0,0,1|2,0,0]=4 794 B13R2.5179 OC1=C2N=CC(F)=CC2=CC=C1 80450 [0,1,0,0,0,1|2,0,0]=4 795 B13R2.5179 OC1=CN=C2C(Cl)=CC=CC2=C1 33276 [0,1,0,0,0,1|2,0,0]=4 796 B13R2.5179 OC1=CN=C2C(F)=CC=CC2=C1 33251 [0,1,0,0,0,1|2,0,0]=4 797 B13R2.45 CC1=C(CO)N=C2C=CC=CN21 72020 [0,2,0,0,0,0|2,0,0]=4 798 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 D70659 [0,2,0,0,0,0|1,0,1]=4 799 B13R2.45 CN1C(CO)=NC2=C1C=CC=C2 W10516 [0,2,0,0,0,0|1,0,0]=3 800 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 F16145 [0,2,0,0,0,0|1,0,1]=4 801 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)O1 W18830 [0,2,0,0,0,0|1,0,1]=4 802 B13R2.135 CC1=C(C=O)N2C=CC=CC2=N1 71381 [0,2,0,0,0,0|2,0,0]=4 803 B13R2.135 CCN1C(Cl)=NC2=C1C=CC=C2 C75739 [0,2,0,0,0,0|2,0,0]=4 804 B13R2.135 CN1N=C2C=CC=CC2=C1C=O 30208 [0,2,0,0,0,0|2,0,0]=4 805 B13R2.3028 CC1=C(C)C2=C(C=CC(Cl)=C2)N1 C15308 [0,2,0,0,0,0|1,0,1]=4 806 B13R2.3028 CC1=C(C)C2=C(C=CC(F)=C2)N1 29250 [0,2,0,0,0,0|1,0,1]=4 807 B13R2.3028 CC1=C(N)N2C=C(Br)C=CC2=N1 O11541 [0,2,0,0,0,0|2,0,0]=4 808 B13R2.3028 CC1=C2C=C(Br)C=CC2=NN1C 37420 [0,2,0,0,0,0|2,0,0]=4 809 B13R2.3028 CC1=C2C=C(N)C=CC2=NN1C P12040 [0,2,0,0,0,0|2,0,0]=4 810 B13R2.3028 CC1=CC2=C(C=C1)N=C(N)N2C AC7413 [0,2,0,0,0,0|2,0,0]=4 811 B13R2.3028 CC1=CC2=C(C=C1)OC(=O)N2C W16975 [0,2,0,0,0,0|1,0,1]=4 812 B13R2.3028 CC1=NC2=C(C=C(Cl)C=C2)N1C N17012 [0,2,0,0,0,0|1,0,0]=3 813 B13R2.3028 CC1=NC2=C(N=C(Cl)C=C2)N1C W11144 [0,2,0,0,0,0|2,0,0]=4 814 B13R2.3028 CN1C(=O)OC2=C1C=C(Br)C=C2 53498 [0,2,0,0,0,0|1,0,1]=4 815 B13R2.3028 CN1C(N)=NC2=C1C=C(F)C=C2 AC3364 [0,2,0,0,0,0|2,0,0]=4 816 B13R2.4825 CC1=CC=CC2=C1OC(=O)N2C F20193 [0,2,0,0,0,0|1,0,1]=4 817 B13R2.4825 CN1C2=CC=CC(F)=C2N=C1N AC3106 [0,2,0,0,0,0|2,0,0]=4 818 B13R2.4856 CC1=C2C(Br)=CC=CC2=NN1C P11344 [0,2,0,0,0,0|2,0,0]=4 819 B13R2.4856 CC1=CC=CC2=C1N(C)C(=O)O2 F20194 [0,2,0,0,0,0|1,0,1]=4 820 B13R2.4856 CC1=CC=CC2=C1N(C)C(N)=N2 C77263 [0,2,0,0,0,0|2,0,0]=4 821 B13R2.5190 CC1=C(N)N2C=CC(Br)=CC2=N1 D83529 [0,2,0,0,0,0|2,0,0]=4 822 B13R2.5190 CC1=C2C=CC(I)=CC2=NN1C 37419 [0,2,0,0,0,0|2,0,0]=4 823 B13R2.5190 CC1=CC2=C(C=C1)N(C)C(N)=N2 RB3387 [0,2,0,0,0,0|2,0,0]=4 824 B13R2.5190 CC1=NC2=C(C=CC(Br)=C2)N1C 51665 [0,2,0,0,0,0|1,0,0]=3 825 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C A11837 [0,2,0,0,0,0|1,0,0]=3 826 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C D72010 [0,2,0,0,0,0|1,0,0]=3 827 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 C76153 [0,2,0,0,0,0|1,0,1]=4 828 B13R2.26 BrCCC1=NC2=C(C=CC=C2)N1 AC1375 [0,2,0,0,0,0|1,0,0]=3 829 B13R2.26 CCSC1=NC2=C(C=CC=C2)N1 60969 [0,2,0,0,0,0|1,0,0]=3 830 B13R2.26 CNCC1=NC2=C(C=CC=C2)S1 71599 [0,2,0,0,0,0|0,1,0]=3 831 B13R2.26 ClCCC1=NC2=C(C=CC=C2)N1 29420 [0,2,0,0,0,0|1,0,0]=3 832 B13R2.26 NCCC1=CC2=C(C=CC=C2)N1 F13295 [0,2,0,0,0,0|1,0,1]=4 833 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 C76966 [0,2,0,0,0,0|1,0,0]=3 834 B13R2.26 NCCN1N=C2C=CC=CC2=N1 28151 [0,2,0,0,0,0|2,0,0]=4 835 B13R2.26 OCCN1N=C2C=CC=CC2=N1 AB6127 [0,2,0,0,0,0|2,0,0]=4 836 B13R2.43 CC1=CC2=C(C=C1)N=C(CO)N2 71346 [0,2,0,0,0,0|1,0,0]=3 837 B13R2.43 CC1=CC2=NC(CO)=CN2C=C1 72413 [0,2,0,0,0,0|2,0,0]=4 838 B13R2.43 CC1=CN2C=C(CO)N=C2C=C1 71722 [0,2,0,0,0,0|2,0,0]=4 839 B13R2.43 CCC1=CC2=C(C=CC(Br)=C2)O1 O11365 [0,2,0,0,0,0|1,0,0]=3 840 B13R2.43 CCC1=CC2=C(C=CC(Br)=C2)S1 P16915 [0,2,0,0,0,0|1,1,0]=4 841 B13R2.43 CNC1=NC2=C(C=C(Br)C=C2)S1 F19873 [0,2,0,0,0,0|0,1,0]=3 842 B13R2.43 CNC1=NC2=C(C=C(N)C=C2)S1 79591 [0,2,0,0,0,0|0,1,0]=3 843 B13R2.43 ClCC1=NC2=CC(Cl)=CN=C2S1 51785 [0,2,0,0,0,0|1,1,0]=4 844 B13R2.43 N#CC1=NC2=C(C=C(Br)C=C2)S1 97346 [0,2,0,0,0,0|0,1,1]=4 845 B13R2.43 N#CC1=NC2=C(C=C(N)C=C2)S1 35936 [0,2,0,0,0,0|0,1,1]=4 846 B13R2.43 N#CC1=NC2=C(C=CC(N)=C2)S1 D83925 [0,2,0,0,0,0|0,1,1]=4 847 B13R2.43 NCC1=CC2=C(C=C(Br)C=C2)S1 A12162 [0,2,0,0,0,0|1,1,0]=4 848 B13R2.43 NNC1=NC2=C(C=C(Cl)C=C2)O1 C77117 [0,2,0,0,0,0|1,0,0]=3 849 B13R2.43 O=CC1=NC2=C(C=C(Br)C=C2)O1 F13897 [0,2,0,0,0,0|0,0,1]=3 850 B13R2.43 O=CC1=NC2=C(C=CC(F)=C2)N1 20296 [0,2,0,0,0,0|1,0,1]=4 851 B13R2.43 OCC1=CC2=C(C=C(Br)C=C2)N1 C77160 [0,2,0,0,0,0|1,0,1]=4 852 B13R2.43 OCC1=CC2=C(C=C(Cl)C=C2)S1 72199 [0,2,0,0,0,0|1,1,0]=4 853 B13R2.43 OCC1=CN2C=C(Br)C=CC2=N1 C72453 [0,2,0,0,0,0|2,0,0]=4 854 B13R2.43 OCC1=NC2=C(C=C(Cl)C=C2)N1 A12768 [0,2,0,0,0,0|1,0,0]=3 855 B13R2.43 OCC1=NC2=C(C=C(F)C=C2)S1 74977 [0,2,0,0,0,0|0,1,0]=3 856 B13R2.43 OCC1=NC2=CC(Br)=CN=C2N1 Y10585 [0,2,0,0,0,0|2,0,0]=4 857 B13R2.43 OCC1=NC2=CC(Cl)=CN=C2N1 P16865 [0,2,0,0,0,0|2,0,0]=4 858 B13R2.54 CC1=CC=CN2C=C(CCl)N=C12 C73509 [0,2,0,0,0,0|2,0,0]=4 859 B13R2.54 N#CC1=NC2=C(Cl)C=CC=C2S1 D82330 [0,2,0,0,0,0|0,1,1]=4 860 B13R2.54 OCC1=CC2=CC=CC(Br)=C2S1 AT26033 [0,2,0,0,0,0|1,1,0]=4 861 B13R2.54 OCC1=NC2=C(O)C=CC=C2N1 AC1451 [0,2,0,0,0,0|1,0,0]=3 862 B13R2.435 CC(=O)C1=CN2C=CC=CC2=N1 72371 [0,2,0,0,0,0|2,0,0]=4 863 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 25646 [0,2,0,0,0,0|0,0,0]=2 864 B13R2.435 CN(C)C1=NC2=C(C=CC=C2)S1 A10873 [0,2,0,0,0,0|0,1,0]=3 865 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 25340 [0,2,0,0,0,0|0,1,1]=4 866 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 20910 [0,2,0,0,0,0|0,0,1]=3 867 B13R2.435 O=[N+]([O-])C1=CC2=C(C=CC=C2)O1 A12428 [0,2,0,0,0,0|2,0,0]=4 868 B13R2.3051 CC1(C)OC2=C(C=C(N)C=C2)O1 D95013 [0,2,0,0,0,0|1,0,1]=4 869 B13R2.581 CC1=CC2=C(C#N)C=CC=C2N1 81921 [0,2,0,0,0,0|1,0,1]=4 870 B13R2.581 CN1C=C2C(C#N)=CC=CC2=N1 P11336 [0,2,0,0,0,0|2,0,0]=4 871 B13R2.581 CN1C=C2C(C=O)=CC=CC2=N1 38438 [0,2,0,0,0,0|2,0,0]=4 872 B13R2.581 CN1C=C2C(CO)=CC=CC2=N1 P11338 [0,2,0,0,0,0|2,0,0]=4 873 B13R2.581 CN1C=C2C=CC=C(C#N)C2=N1 37417 [0,2,0,0,0,0|2,0,0]=4 874 B13R2.581 CN1C=C2C=CC=C(C=O)C2=N1 P12987 [0,2,0,0,0,0|2,0,0]=4 875 B13R2.581 CN1C=C2C=CC=C(CBr)C2=N1 38186 [0,2,0,0,0,0|2,0,0]=4 876 B13R2.581 CN1C=C2C=CC=C(CN)C2=N1 37415 [0,2,0,0,0,0|2,0,0]=4 877 B13R2.581 CN1C=C2C=CC=C(CO)C2=N1 P11341 [0,2,0,0,0,0|2,0,0]=4 878 B13R2.581 COC1=C2C=C(C)NC2=CC=C1 52361 [0,2,0,0,0,0|1,0,1]=4 879 B13R2.581 COC1=CC=CC2=C1N=C(C)O2 D93124 [0,2,0,0,0,0|0,0,0]=2 880 B13R2.581 COC1=CC=CC2=C1N=C(Cl)N2 F15889 [0,2,0,0,0,0|2,0,0]=4 881 B13R2.581 COC1=CC=CC2=C1N=C(Cl)O2 F50758 [0,2,0,0,0,0|1,0,0]=3 882 B13R2.581 COC1=CC=CC2=C1N=C(S)O2 F51132 [0,2,0,0,0,0|1,0,0]=3 883 B13R2.3050 CC1=C(Br)C2=CN(C)N=C2C=C1 24289 [0,2,0,0,0,0|2,0,0]=4 884 B13R2.3050 CC1=C(Br)C=CC2=C1SC(N)=N2 84495 [0,2,0,0,0,0|1,1,0]=4 885 B13R2.3050 CC1=C(C)C2=C(C=C1)N=C(S)N2 AR3587 [0,2,0,0,0,0|2,0,0]=4 886 B13R2.3050 CC1=CC2=C(C=CC(F)=C2F)N1 58415 [0,2,0,0,0,0|1,0,1]=4 887 B13R2.3050 CC1=CC2=C(C=CC(N)=C2F)N1 25585 [0,2,0,0,0,0|1,0,1]=4 888 B13R2.3050 CC1=CN2C=CC(I)=C(Cl)C2=N1 82448 [0,2,0,0,0,0|2,0,0]=4 889 B13R2.3050 CC1=NC2=C(N=CC(Br)=C2C)N1 79160 [0,2,0,0,0,0|2,0,0]=4 890 B13R2.3050 CN1C=C2C=CC(F)=C(Br)C2=N1 D97042 [0,2,0,0,0,0|2,0,0]=4 891 B13R2.3050 FC1=C(Br)C=CC2=C1N=C(Br)S2 N17018 [0,2,0,0,0,0|1,1,0]=4 892 B13R2.3050 NC1=NC2=C(C=CC(Br)=C2F)S1 N17020 [0,2,0,0,0,0|1,1,0]=4 893 B13R2.3050 NC1=NC2=C(C=CC(F)=C2F)S1 AC7963 [0,2,0,0,0,0|1,1,0]=4 894 B13R2.3050 O=C1NC2=C(O1)C(F)=C(F)C=C2 AC6264 [0,2,0,0,0,0|1,0,1]=4 895 B13R2.5139 CC1=CC=C(Br)C2=CN(C)N=C12 24290 [0,2,0,0,0,0|2,0,0]=4 896 B13R2.5139 CC1=CC=C(F)C2=C1N=C(Br)S2 F17093 [0,2,0,0,0,0|1,1,0]=4 897 B13R2.5139 ClC1=NC2=C(Br)C=CC(Br)=C2S1 FD17103 [0,2,0,0,0,0|1,1,0]=4 898 B13R2.5139 FC1=CC=C(F)C2=C1N=C(Cl)S2 D82463 [0,2,0,0,0,0|1,1,0]=4 899 B13R2.5139 NC1=NC2=C(Br)C=CC(F)=C2S1 D96887 [0,2,0,0,0,0|1,1,0]=4 900 B13R2.5397 CC1=CC(N)=CN2N=C(C)N=C12 37909 [0,2,0,0,0,0|2,0,0]=4 901 B13R2.5397 CC1=CN2C=C(Br)C=C(F)C2=N1 84496 [0,2,0,0,0,0|2,0,0]=4 902 B13R2.5397 CC1=CN2C=C(Br)C=C(I)C2=N1 P19434 [0,2,0,0,0,0|2,0,0]=4 903 B13R2.5397 CC1=NC2=C(N=C(Cl)C=C2Cl)N1 D77005 [0,2,0,0,0,0|2,0,0]=4 904 B13R2.5397 CC1=NC2=C(O)C=C(Cl)C=C2N1 79621 [0,2,0,0,0,0|1,0,0]=3 905 B13R2.5397 CC1=NN2C=C(Cl)C=C(Br)C2=N1 FD10585 [0,2,0,0,0,0|2,0,0]=4 906 B13R2.5397 CC1=NN2C=C(Cl)C=C(F)C2=N1 W16599 [0,2,0,0,0,0|2,0,0]=4 907 B13R2.5397 ClC1=NC2=C(Cl)C=C(Br)C=C2S1 95232 [0,2,0,0,0,0|1,1,0]=4 908 B13R2.5397 FC1=C2N=C(Br)SC2=CC(Br)=C1 97344 [0,2,0,0,0,0|1,1,0]=4 909 B13R2.5397 FC1=CC2=C(N=C(Br)S2)C(F)=C1 S10139 [0,2,0,0,0,0|1,1,0]=4 910 B13R2.5397 NC1=CC(F)=C2OC(=O)NC2=C1 79371 [0,2,0,0,0,0|1,0,1]=4 911 B13R2.2121 C#CC1=CC2=C(C=C1)NC(=O)O2 AC3197 [0,2,0,0,0,0|1,0,1]=4 912 B13R2.2121 CC1=CC2=C(C=C(C#N)C=C2)N1 N10019 [0,2,0,0,0,0|1,0,1]=4 913 B13R2.2121 CC1=CC2=C(C=CC(C#N)=C2)N1 96756 [0,2,0,0,0,0|1,0,1]=4 914 B13R2.2121 CC1=NC2=C(C=C(C=O)C=C2)O1 36370 [0,2,0,0,0,0|0,0,0]=2 915 B13R2.2121 CC1=NC2=C(C=C(CO)C=C2)S1 86177 [0,2,0,0,0,0|0,1,0]=3 916 B13R2.2121 CC1=NC2=C(C=CC(C#N)=C2)S1 26928 [0,2,0,0,0,0|0,1,0]=3 917 B13R2.2121 CC1=NC2=C(C=CC(C=O)=C2)S1 Y10084 [0,2,0,0,0,0|0,1,0]=3 918 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)O1 C72464 [0,2,0,0,0,0|0,0,0]=2 919 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)S1 92513 [0,2,0,0,0,0|0,1,0]=3 920 B13R2.2121 CCC1=CC2=C(C=C1)N=C(N)S2 A12265 [0,2,0,0,0,0|1,1,0]=4 921 B13R2.2121 CN1C=C2C=C(C#N)C=CC2=N1 P11337 [0,2,0,0,0,0|2,0,0]=4 922 B13R2.2121 CN1C=C2C=C(C=O)C=CC2=N1 P12982 [0,2,0,0,0,0|2,0,0]=4 923 B13R2.2121 CN1C=C2C=C(CO)C=CC2=N1 P11339 [0,2,0,0,0,0|2,0,0]=4 924 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 P12985 [0,2,0,0,0,0|2,0,0]=4 925 B13R2.2121 CN1C=C2C=CC(CN)=CC2=N1 P17455 [0,2,0,0,0,0|2,0,0]=4 926 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 69230 [0,2,0,0,0,0|1,0,1]=4 927 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 O11603 [0,2,0,0,0,0|0,0,0]=2 928 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 35610 [0,2,0,0,0,0|0,1,0]=3 929 B13R2.2121 COC1=CC2=C(C=C1)N=C(I)S2 86754 [0,2,0,0,0,0|1,1,0]=4 930 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)O2 52986 [0,2,0,0,0,0|1,0,0]=3 931 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=N2 AC6213 [0,2,0,0,0,0|1,0,0]=3 932 B13R2.2121 COC1=CC2=C(C=C1)NC(Cl)=N2 75507 [0,2,0,0,0,0|2,0,0]=4 933 B13R2.2121 COC1=CC2=C(C=C1)OC(Cl)=N2 F50763 [0,2,0,0,0,0|1,0,0]=3 934 B13R2.2121 COC1=CC2=C(C=C1)SC(Cl)=N2 O10739 [0,2,0,0,0,0|1,1,0]=4 935 B13R2.2121 COC1=CC2=CN(C)N=C2C=C1 Y10579 [0,2,0,0,0,0|2,0,0]=4 936 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(Br)S2 26982 [0,2,0,0,0,0|1,1,0]=4 937 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(Cl)N2 C75035 [0,2,0,0,0,0|2,0,0]=4 938 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(Cl)S2 27160 [0,2,0,0,0,0|1,1,0]=4 939 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(N)S2 25305 [0,2,0,0,0,0|1,1,0]=4 940 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(S)S2 C74620 [0,2,0,0,0,0|1,1,0]=4 941 B13R2.2121 N#CC1=CC2=C(C=C1)NC(N)=N2 F19880 [0,2,0,0,0,0|2,0,0]=4 942 B13R2.2121 N#CC1=CC2=C(C=C1)SC(N)=N2 71521 [0,2,0,0,0,0|1,1,0]=4 943 B13R2.2121 NC1=NC2=C(C=C(C=O)C=C2)O1 D80654 [0,2,0,0,0,0|1,0,0]=3 944 B13R2.2121 NC1=NC2=C(C=C(CO)C=C2)S1 74950 [0,2,0,0,0,0|1,1,0]=4 945 B13R2.2121 OCC1=CC2=C(C=C1)N=C(Cl)N2 D83878 [0,2,0,0,0,0|2,0,0]=4 946 B13R2.13083 CC1=C(Br)C=C2SC(N)=NC2=C1 84494 [0,2,0,0,0,0|1,1,0]=4 947 B13R2.13083 CC1=CC2=C(C=C1N)N=C(C)S2 A12966 [0,2,0,0,0,0|0,1,0]=3 948 B13R2.13083 CC1=CC2=C(C=C1N)SC(C)=N2 C76174 [0,2,0,0,0,0|0,1,0]=3 949 B13R2.13083 CC1=CC2=CC(Br)=C(F)C=C2N1 96777 [0,2,0,0,0,0|1,0,1]=4 950 B13R2.13083 CC1=CC2=CN(C)N=C2C=C1Br D79749 [0,2,0,0,0,0|2,0,0]=4 951 B13R2.13083 CC1=CC2=NN(C)C=C2C=C1Br 24317 [0,2,0,0,0,0|2,0,0]=4 952 B13R2.13083 CC1=NC2=CC(Br)=C(Br)C=C2N1 W19726 [0,2,0,0,0,0|1,0,0]=3 953 B13R2.13083 CC1=NC2=CC(Br)=C(F)C=C2S1 D78958 [0,2,0,0,0,0|0,1,0]=3 954 B13R2.13083 CC1=NC2=CC(C)=C(Br)C=C2S1 D83952 [0,2,0,0,0,0|0,1,0]=3 955 B13R2.13083 CN1C=C2C=C(Br)C(F)=CC2=N1 C11300 [0,2,0,0,0,0|2,0,0]=4 956 B13R2.13083 CN1C=C2C=C(F)C(Br)=CC2=N1 24343 [0,2,0,0,0,0|2,0,0]=4 957 B13R2.13083 ClC1=NC2=CC(Cl)=C(Cl)C=C2N1 SC3401 [0,2,0,0,0,0|2,0,0]=4 958 B13R2.13083 ClC1=NC2=CC(Cl)=C(Cl)C=C2S1 D80294 [0,2,0,0,0,0|1,1,0]=4 959 B13R2.13083 NC1=NC2=CC(Br)=C(F)C=C2S1 54733 [0,2,0,0,0,0|1,1,0]=4 960 B13R2.13083 NC1=NC2=CC(Cl)=C(F)C=C2N1 AC7992 [0,2,0,0,0,0|2,0,0]=4 961 B13R2.13083 NC1=NC2=CC(F)=C(Cl)C=C2S1 Y10967 [0,2,0,0,0,0|1,1,0]=4 962 B13R2.13083 O=C1NC2=CC(Cl)=C(Br)C=C2O1 O11552 [0,2,0,0,0,0|1,0,1]=4 963 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [0,0,1,1,0,0|1,0,0]=3 964 B11R2.20 C1=CC=C2N=NC=CC2=C1 76492 [0,0,1,1,0,0|2,0,0]=4 965 B11R2.20 C1=CC=C2N=NC=CC2=C1 Y10640 [0,0,1,1,0,0|2,0,0]=4 966 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,1,1,0,0|1,0,1]=4 967 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,0,1,0,1,0|2,0,0]=4 968 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,1,0,1,0|0,0,2]=4 969 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,0,1,0,1,0|1,0,1]=4 970 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,0,1,0,1,0|1,0,1]=4 971 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,0,1,0,1,0|2,0,0]=4 972 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,1,0,0,1|1,0,1]=4 973 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,1,0,0,1|1,0,1]=4 974 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,0,0,2|2,0,0]=4