0 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [0,0,0,0,0,0|1,0,1]=2 1 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [0,0,0,0,0,0|1,0,1]=2 2 B10R2.7 C1=CC2=C(C=CO2)C=N1 D74565 [0,0,0,0,0,0|2,1,0]=3 3 B10R2.7 C1=CC2=C(C=N1)NN=C2 W10136 [0,0,0,0,0,0|3,0,1]=4 4 B10R2.7 C1=CC2=CC=NN2N=C1 L10191 [0,0,0,0,0,0|3,0,0]=3 5 B10R2.7 C1=CC2=CN=NN2C=C1 31900 [0,0,0,0,0,0|3,0,0]=3 6 B10R2.7 C1=CC2=NNC=C2N=C1 F18246 [0,0,0,0,0,0|3,0,0]=3 7 B10R2.7 C1=CC2=NSN=C2C=N1 AC5756 [0,0,0,0,0,0|3,0,0]=3 8 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,0,0,0,0,0|2,0,2]=4 9 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [0,1,0,0,0,0|2,0,0]=3 10 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [0,1,0,0,0,0|2,0,0]=3 11 B11R2.1 CN1C=CC2=C1C=CN=C2 D70942 [0,1,0,0,0,0|2,0,1]=4 12 B11R2.1 C[C@@H]1N=NC2=NC=CC=C21 F17908 [0,1,0,0,0,0|3,0,0]=4 13 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [0,1,0,0,0,0|1,0,2]=4 14 B11R2.1 ClC1=CN=C2C=CC=CN12 F18114 [0,1,0,0,0,0|2,0,0]=3 15 B11R2.1 ClC1=CNC2=C1C=NC=C2 I11117 [0,1,0,0,0,0|2,0,1]=4 16 B11R2.1 ClC1=NSC2=C1C=CC=N2 F30332 [0,1,0,0,0,0|3,0,0]=4 17 B11R2.1 IC1=C2N=CC=CN2N=C1 D74258 [0,1,0,0,0,0|3,0,0]=4 18 B11R2.1 IC1=NN=C2C=CC=CN12 D78709 [0,1,0,0,0,0|3,0,0]=4 19 B11R2.1 NC1=CNC2=NC=CC=C12 C15185 [0,1,0,0,0,0|2,0,1]=4 20 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [0,1,0,0,0,0|2,1,0]=4 21 B11R2.1 NC1=NN=C2C=CC=CN12 92122 [0,1,0,0,0,0|3,0,0]=4 22 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [0,1,0,0,0,0|2,0,1]=4 23 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [0,1,0,0,0,0|1,1,1]=4 24 B11R2.1 OC1=CN=C2C=CC=CN12 F18394 [0,1,0,0,0,0|2,0,0]=3 25 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [0,1,0,0,0,0|1,0,1]=3 26 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [0,1,0,0,0,0|1,0,0]=2 27 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [0,1,0,0,0,0|3,0,0]=4 28 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [0,1,0,0,0,0|2,0,1]=4 29 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [0,1,0,0,0,0|1,1,1]=4 30 B11R2.10 BrC1=NN2C=CC=NC2=N1 O10664 [0,1,0,0,0,0|3,0,0]=4 31 B11R2.10 BrC1=NN2C=CN=CC2=N1 AT19825 [0,1,0,0,0,0|3,0,0]=4 32 B11R2.10 CC1=NC2=C(C=NC=C2)O1 A11329 [0,1,0,0,0,0|1,1,0]=3 33 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [0,1,0,0,0,0|2,0,0]=3 34 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [0,1,0,0,0,0|1,0,0]=2 35 B11R2.10 CC1=NC2=NC=CN=C2N1 70074 [0,1,0,0,0,0|3,0,0]=4 36 B11R2.10 CC1=NN2C=CC=CC2=N1 C90954 [0,1,0,0,0,0|2,0,0]=3 37 B11R2.10 CC1=NN2C=CC=NC2=N1 D74494 [0,1,0,0,0,0|3,0,0]=4 38 B11R2.10 CC1=NN2C=CN=CC2=N1 F13449 [0,1,0,0,0,0|3,0,0]=4 39 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [0,1,0,0,0,0|1,1,0]=3 40 B11R2.10 ClC1=CN2N=CC=CC2=N1 69027 [0,1,0,0,0,0|3,0,0]=4 41 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C74663 [0,1,0,0,0,0|1,1,0]=3 42 B11R2.10 ClC1=NC2=C(C=CN=C2)O1 C72870 [0,1,0,0,0,0|1,1,0]=3 43 B11R2.10 FC1=NC2=C(C=CC=C2)S1 T71604 [0,1,0,0,0,0|0,0,0]=1 44 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [0,1,0,0,0,0|1,0,1]=3 45 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [0,1,0,0,0,0|1,0,1]=3 46 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [0,1,0,0,0,0|1,0,1]=3 47 B11R2.10 NC1=CC2=CC=CN=C2S1 82785 [0,1,0,0,0,0|2,0,0]=3 48 B11R2.10 NC1=CN2C=CC=CC2=N1 F52309 [0,1,0,0,0,0|2,0,0]=3 49 B11R2.10 NC1=NC2=C(C=CN=C2)N1 AC6593 [0,1,0,0,0,0|2,0,0]=3 50 B11R2.10 NC1=NC2=NC=CC=C2N1 AC8085 [0,1,0,0,0,0|2,0,0]=3 51 B11R2.10 NC1=NC2=NC=CN=C2S1 O12147 [0,1,0,0,0,0|2,0,0]=3 52 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [0,1,0,0,0,0|2,0,1]=4 53 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,1,0,0,0,0|1,0,0]=2 54 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [0,1,0,0,0,0|2,0,1]=4 55 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [0,1,0,0,0,0|1,0,1]=3 56 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [0,1,0,0,0,0|1,0,1]=3 57 B11R2.10 SC1=NC2=C(C=CN=C2)S1 O12148 [0,1,0,0,0,0|1,0,0]=2 58 B11R2.36 BrC1=CC2=NSN=C2N=C1 AC6683 [0,1,0,0,0,0|3,0,0]=4 59 B11R2.36 BrC1=CN=C2SN=NC2=C1 F30921 [0,1,0,0,0,0|2,0,0]=3 60 B11R2.36 BrC1=CNC2=CN=NC2=C1 D77950 [0,1,0,0,0,0|3,0,0]=4 61 B11R2.36 BrC1=NC2=C(C=CO2)C=C1 AC2137 [0,1,0,0,0,0|2,1,0]=4 62 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [0,1,0,0,0,0|3,0,0]=4 63 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [0,1,0,0,0,0|3,0,0]=4 64 B11R2.36 CC1=CC2=CC=NN2C=C1 51003 [0,1,0,0,0,0|2,0,0]=3 65 B11R2.36 CC1=CC2=NSN=C2C=C1 F52629 [0,1,0,0,0,0|2,0,0]=3 66 B11R2.36 CC1=CN2N=CC=C2C=C1 56903 [0,1,0,0,0,0|2,0,0]=3 67 B11R2.36 CC1=CN2N=CC=C2N=C1 C90973 [0,1,0,0,0,0|3,0,0]=4 68 B11R2.36 CC1=NC2=CC=NN2C=C1 D74156 [0,1,0,0,0,0|3,0,0]=4 69 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [0,1,0,0,0,0|1,1,0]=3 70 B11R2.36 ClC1=CC2=NC=CN2C=C1 F13942 [0,1,0,0,0,0|2,0,0]=3 71 B11R2.36 ClC1=CN2C=CC=C2C=C1 SC1109 [0,1,0,0,0,0|3,0,0]=4 72 B11R2.36 ClC1=CN2N=CN=C2C=C1 AC4211 [0,1,0,0,0,0|2,0,0]=3 73 B11R2.36 ClC1=CN2N=CN=C2N=C1 D74532 [0,1,0,0,0,0|3,0,0]=4 74 B11R2.36 ClC1=CN=C2N=NNC2=C1 26584 [0,1,0,0,0,0|3,0,0]=4 75 B11R2.36 ClC1=NC2=C(C=N1)NC=N2 FD13052 [0,1,0,0,0,0|3,0,0]=4 76 B11R2.36 FC1=CC2=C(C=C1)CC=C2 N14223 [0,1,0,0,0,0|2,0,0]=3 77 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [0,1,0,0,0,0|2,0,1]=4 78 B11R2.36 FC1=CC2=C(C=C1)N=CO2 AC5634 [0,1,0,0,0,0|0,1,0]=2 79 B11R2.36 FC1=CC2=C(C=C1)SC=C2 P15215 [0,1,0,0,0,0|1,0,0]=2 80 B11R2.36 FC1=CC2=NSN=C2C=C1 C15116 [0,1,0,0,0,0|2,0,0]=3 81 B11R2.36 FC1=NN2C=CN=C2C=C1 E72013 [0,1,0,0,0,0|3,0,0]=4 82 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [0,1,0,0,0,0|2,0,1]=4 83 B11R2.36 IC1=CC2=C(C=C1)CNC2 32000 [0,1,0,0,0,0|3,0,0]=4 84 B11R2.36 IC1=CC2=C(C=C1)SC=N2 D78574 [0,1,0,0,0,0|0,0,0]=1 85 B11R2.36 IC1=CC2=NC=CN2C=C1 O11657 [0,1,0,0,0,0|2,0,0]=3 86 B11R2.36 IC1=CC2=NON=C2C=C1 D78653 [0,1,0,0,0,0|2,0,0]=3 87 B11R2.36 IC1=NC2=C(C=CN2)C=C1 68997 [0,1,0,0,0,0|2,0,1]=4 88 B11R2.36 NC1=CC2=C(C=C1)CNC2 SC4171 [0,1,0,0,0,0|3,0,0]=4 89 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [0,1,0,0,0,0|1,1,1]=4 90 B11R2.36 NC1=CN2N=CC=C2N=C1 AC2703 [0,1,0,0,0,0|3,0,0]=4 91 B11R2.36 NC1=CN2N=CN=C2C=C1 AC5866 [0,1,0,0,0,0|2,0,0]=3 92 B11R2.36 NC1=CN=C2N=CNC2=C1 C74684 [0,1,0,0,0,0|2,0,0]=3 93 B11R2.36 NC1=NC2=C(C=CN2)C=C1 30500 [0,1,0,0,0,0|2,0,1]=4 94 B11R2.36 O=C1C=CN2N=CC=C2N1 P11730 [0,1,0,0,0,0|3,0,0]=4 95 B11R2.36 O=C1CSC2=C(N1)SC=N2 92250 [0,1,0,0,0,0|2,0,1]=4 96 B11R2.36 O=C1CSC2=C(N=CS2)N1 92254 [0,1,0,0,0,0|2,0,1]=4 97 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [0,1,0,0,0,0|1,0,0]=2 98 B11R2.36 OC1=CC2=C(C=CS2)N=C1 36039 [0,1,0,0,0,0|2,0,0]=3 99 B11R2.36 OC1=CN=C2NC=NC2=C1 F18727 [0,1,0,0,0,0|2,0,0]=3 100 B11R2.36 OC1=NN2N=CC=C2C=C1 D79166 [0,1,0,0,0,0|3,0,0]=4 101 B11R2.36 SC1=CC2=C(C=C1)NN=C2 F18088 [0,1,0,0,0,0|2,0,1]=4 102 B11R2.36 [O-][N+]1=CC2=C(C=C1)N=CN2 F17476 [0,1,0,0,0,0|2,0,0]=3 103 B11R2.36 [O-][N+]1=CC2=C(C=C1)NC=N2 CS2013 [0,1,0,0,0,0|2,0,0]=3 104 B11R2.106 BrC1=C2CCOC2=CC=C1 F12556 [0,1,0,0,0,0|1,1,1]=4 105 B11R2.106 BrC1=CC=CC2=CN=NN12 AT11048 [0,1,0,0,0,0|3,0,0]=4 106 B11R2.106 BrC1=NC=CC2=C1C=CS2 D74403 [0,1,0,0,0,0|2,0,0]=3 107 B11R2.106 BrC1=NC=CN2N=CC=C12 90239 [0,1,0,0,0,0|3,0,0]=4 108 B11R2.106 CC1=C2C=CNC2=CN=C1 P11545 [0,1,0,0,0,0|2,0,1]=4 109 B11R2.106 CC1=C2N=CNC2=CC=C1 31265 [0,1,0,0,0,0|1,0,0]=2 110 B11R2.106 CC1=C2SN=NC2=CC=C1 D87603 [0,1,0,0,0,0|1,0,0]=2 111 B11R2.106 CC1=CC=CC2=C1CNC2 W10109 [0,1,0,0,0,0|3,0,0]=4 112 B11R2.106 CC1=CC=CC2=C1N=CO2 F18678 [0,1,0,0,0,0|0,1,0]=2 113 B11R2.106 CC1=CC=CC2=C1N=NN2 C80091 [0,1,0,0,0,0|2,0,0]=3 114 B11R2.106 CC1=CC=CC2=C1N=N[N-]2 F20812 [0,1,0,0,0,0|2,0,0]=3 115 B11R2.106 CC1=NC=CC2=C1N=NC2 F17937 [0,1,0,0,0,0|3,0,0]=4 116 B11R2.106 CC1=NC=NC2=C1N=CN2 O11610 [0,1,0,0,0,0|3,0,0]=4 117 B11R2.106 ClC1=C2C=COC2=NC=C1 P12454 [0,1,0,0,0,0|2,1,0]=4 118 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [0,1,0,0,0,0|2,0,1]=4 119 B11R2.106 ClC1=C2CNCC2=CC=C1 FD13081 [0,1,0,0,0,0|3,0,0]=4 120 B11R2.106 ClC1=C2N=CNC2=CN=C1 P13175 [0,1,0,0,0,0|2,0,0]=3 121 B11R2.106 ClC1=C2OC=NC2=CC=C1 AC3340 [0,1,0,0,0,0|0,1,0]=2 122 B11R2.106 ClC1=C2OCCC2=CC=C1 F53809 [0,1,0,0,0,0|1,1,1]=4 123 B11R2.106 ClC1=CC=CN2N=CN=C12 AC4218 [0,1,0,0,0,0|2,0,0]=3 124 B11R2.106 ClC1=NC=CC2=NC=CN12 84401 [0,1,0,0,0,0|3,0,0]=4 125 B11R2.106 ClC1=NN=CC2=C1C=CS2 94723 [0,1,0,0,0,0|3,0,0]=4 126 B11R2.106 FC1=C2NCCC2=CC=C1 C73504 [0,1,0,0,0,0|1,0,2]=4 127 B11R2.106 FC1=C2OC=NC2=CC=C1 AC3567 [0,1,0,0,0,0|0,1,0]=2 128 B11R2.106 IC1=C2CCOC2=CC=C1 E72245 [0,1,0,0,0,0|1,1,1]=4 129 B11R2.106 IC1=C2N=NNC2=CC=C1 O11246 [0,1,0,0,0,0|2,0,0]=3 130 B11R2.106 NC1=C2N=CNC2=CC=C1 P10197 [0,1,0,0,0,0|1,0,0]=2 131 B11R2.106 NC1=C2SC=CC2=CC=N1 P10786 [0,1,0,0,0,0|2,0,0]=3 132 B11R2.106 NC1=CC=CC2=C1C=NO2 D82709 [0,1,0,0,0,0|2,1,0]=4 133 B11R2.106 NC1=CC=CC2=NC=NN12 AT12575 [0,1,0,0,0,0|2,0,0]=3 134 B11R2.106 NC1=CC=CC2=NON=C12 D86125 [0,1,0,0,0,0|2,0,0]=3 135 B11R2.106 NC1=CC=CN2C=NN=C12 AT12140 [0,1,0,0,0,0|3,0,0]=4 136 B11R2.106 NC1=CC=CN2N=CC=C12 AT25993 [0,1,0,0,0,0|2,0,0]=3 137 B11R2.106 NC1=NC=CC2=CNN=C21 F17777 [0,1,0,0,0,0|3,0,0]=4 138 B11R2.106 O=C1NC=CN2N=CC=C12 P14059 [0,1,0,0,0,0|3,0,0]=4 139 B11R2.106 O=C1NN=CC2=C1C=CS2 94722 [0,1,0,0,0,0|3,0,0]=4 140 B11R2.106 OC1=CC=CN2N=CN=C12 AC7011 [0,1,0,0,0,0|2,0,0]=3 141 B11R2.106 OC1=CC=NC2=CC=NN12 W10561 [0,1,0,0,0,0|3,0,0]=4 142 B11R2.106 OC1=NC=CC2=C1C=CN2 F30254 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [0,0,1,0,0,0|2,0,1]=4 144 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,0,1,0,0,0|2,0,1]=4 145 B9R1.8 FCCC1=CC=CC=C1 75534 [0,0,1,0,0,0|2,0,1]=4 146 B9R1.8 IC#CC1=CC=CC=C1 N11813 [0,0,1,0,0,0|2,0,1]=4 147 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,0,1,0,0,0|1,0,2]=4 148 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,0,1,0,0,0|1,0,2]=4 149 B9R1.8 S=C=NC1=NC=CC=C1 C11368 [0,0,1,0,0,0|1,0,2]=4 150 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,0,1,0,0,0|2,0,1]=4 151 B9R1.14 O=CC1=C(C=O)NC=N1 98662 [0,0,1,0,0,0|3,0,0]=4 152 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [0,0,1,0,0,0|2,0,0]=3 153 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [0,0,1,0,0,0|3,0,0]=4 154 B9R1.15 C=CC1=CC=CN=C1F P13082 [0,0,1,0,0,0|3,0,0]=4 155 B9R1.15 N#CC1=C(S)C=CC=C1 AT20892 [0,0,1,0,0,0|2,0,0]=3 156 B9R1.15 N#CC1=C(S)C=CN=C1 C77520 [0,0,1,0,0,0|3,0,0]=4 157 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [0,0,1,0,0,0|3,0,0]=4 158 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [0,0,1,0,0,0|3,0,0]=4 159 B9R1.15 [C-]#[N+]C1=C(Cl)C=CC=C1 AC9402 [0,0,1,0,0,0|1,0,2]=4 160 B9R2.3 C1=CC2=C(N=CS2)S1 93683 [0,0,0,0,1,0|1,0,0]=2 161 B9R2.3 C1=CN2C=CSC2=N1 D78689 [0,0,0,0,1,0|3,0,0]=4 162 B9R2.3 C1=NC2=C(CNC2)S1 AC2026 [0,0,0,0,1,0|1,0,2]=4 163 B11R2.20 C1=CC2=C(C=N1)N=CCN2 D87594 [0,0,0,0,0,1|2,0,0]=3 164 B11R2.20 C1=CC2=CC=NC=C2C=N1 69947 [0,0,0,0,0,1|2,0,0]=3 165 B8R1.2 C=CC1=CC=CN=C1 71366 [1,0,1,0,0,0|2,0,0]=4 166 B8R1.2 NCC1=CC=CC=C1 T70846 [1,0,1,0,0,0|0,0,2]=4 167 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [1,0,1,0,0,0|1,1,0]=4 168 B8R1.11 O=CC1=C(Br)SC=N1 AT14701 [1,0,1,0,0,0|2,0,0]=4 169 B8R1.5 FC1=CC=CN=C1S AT18759 [1,0,1,0,0,0|2,0,0]=4 170 B8R1.5 NC1=C(S)C=NC=C1 P11896 [1,0,1,0,0,0|1,0,1]=4 171 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [1,0,1,0,0,0|1,1,0]=4 172 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [1,0,1,0,0,0|2,0,0]=4 173 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [0,1,1,0,0,0|0,1,1]=4 174 B10R1.1 [N-]=[N+]=NC1=CC=C(I)C=C1 AC6317 [0,1,1,0,0,0|2,0,0]=4 175 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [0,1,1,0,0,0|1,1,0]=4 176 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,1,1,0,0,0|1,0,1]=4 177 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,1,1,0,0,0|1,0,1]=4 178 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [0,1,1,0,0,0|1,1,0]=4 179 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [0,1,1,0,0,0|1,1,0]=4 180 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,1,1,0,0,0|1,0,1]=4 181 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [0,1,1,0,0,0|1,1,0]=4 182 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,1,1,0,0,0|1,1,0]=4 183 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,1,1,0,0,0|1,1,0]=4 184 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [0,1,1,0,0,0|1,0,1]=4 185 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,1,1,0,0,0|1,1,0]=4 186 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,1,1,0,0,0|0,1,1]=4 187 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,1,1,0,0,0|1,0,0]=3 188 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,1,1,0,0,0|2,0,0]=4 189 B10R1.2 C=CC1=CC=CC(Br)=C1F H11842 [0,1,1,0,0,0|2,0,0]=4 190 B10R1.2 CC1=CC=CC(C#N)=C1S AT20894 [0,1,1,0,0,0|2,0,0]=4 191 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [0,1,1,0,0,0|1,0,1]=4 192 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [0,1,1,0,0,0|1,0,1]=4 193 B10R1.20 CNC1=C(SC)C=CC=C1 AT20832 [0,1,1,0,0,0|0,0,2]=4 194 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [0,1,1,0,0,0|2,0,0]=4 195 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [0,1,1,0,0,0|1,0,1]=4 196 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [0,1,1,0,0,0|1,0,1]=4 197 B10R1.30 C=CC1=C(Cl)C=CC(Cl)=C1 CK2537 [0,1,1,0,0,0|2,0,0]=4 198 B10R1.30 C=CC1=C(F)C=CC(F)=C1 CK2551 [0,1,1,0,0,0|2,0,0]=4 199 B10R1.30 CC1=CC(C#N)=C(S)C=C1 AT20893 [0,1,1,0,0,0|2,0,0]=4 200 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [0,1,1,0,0,0|1,0,1]=4 201 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [0,1,1,0,0,0|1,0,1]=4 202 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [0,1,1,0,0,0|0,0,2]=4 203 B10R1.30 N#CC1=C(S)C=CC(Cl)=C1 AT20896 [0,1,1,0,0,0|2,0,0]=4 204 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,1,1,0,0,0|2,0,0]=4 205 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,1,1,0,0,0|1,0,1]=4 206 B10R1.245 N#CC1=C(Cl)C=CC=C1S AT20865 [0,1,1,0,0,0|2,0,0]=4 207 B10R2.2 BrC1=NC2=C(C=CS2)S1 93685 [0,1,0,0,1,0|1,0,0]=3 208 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,1,0,0,1,0|1,0,1]=4 209 B12R2.24 BrC1=CC2=C(C=C1)CCN=C2 AT22654 [0,1,0,0,0,1|1,0,1]=4 210 B12R2.24 CC1=CC2=C(C=C1)SCCN2 W10110 [0,1,0,0,0,1|0,0,2]=4 211 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [0,1,0,0,0,1|1,0,1]=4 212 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,1,0,0,0,1|0,0,2]=4 213 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 AT25438 [0,1,0,0,0,1|0,0,2]=4 214 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 AT25439 [0,1,0,0,0,1|0,0,2]=4 215 B12R2.24 ClC1=CC2=CN=CN=C2C=N1 O11585 [0,1,0,0,0,1|2,0,0]=4 216 B12R2.24 ClC1=NC2=CC=CC=C2N=N1 D78678 [0,1,0,0,0,1|1,0,0]=3 217 B12R2.24 FC1=CC2=NC=NC=C2C=C1 D75735 [0,1,0,0,0,1|1,0,0]=3 218 B12R2.24 NC1=CC2=CC=CC=C2N=N1 W16974 [0,1,0,0,0,1|1,0,0]=3 219 B12R2.24 NC1=CC2=CC=CN=C2N=C1 N10431 [0,1,0,0,0,1|2,0,0]=4 220 B12R2.24 NC1=CC=C2N=CC=CC2=C1 F19169 [0,1,0,0,0,1|1,0,0]=3 221 B12R2.24 NC1=NC2=NC=CC=C2C=N1 AC7077 [0,1,0,0,0,1|2,0,0]=4 222 B12R2.24 NC1=NC2=NC=CN=C2C=C1 SC3091 [0,1,0,0,0,1|2,0,0]=4 223 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [0,1,0,0,0,1|2,0,0]=4 224 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [0,1,0,0,0,1|2,0,0]=4 225 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,1,0,0,0,1|1,1,0]=4 226 B12R2.24 O=C1CSC2=C(N=CC=C2)N1 92244 [0,1,0,0,0,1|1,0,1]=4 227 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [0,1,0,0,0,1|1,0,0]=3 228 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [0,1,0,0,0,1|2,0,0]=4 229 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [0,1,0,0,0,1|0,1,1]=4 230 B12R2.1081 BrC1=C2SCCNC2=CC=C1 69222 [0,1,0,0,0,1|0,0,2]=4 231 B12R2.1081 CC1=C2C=NC=CC2=CC=C1 D87678 [0,1,0,0,0,1|1,0,0]=3 232 B12R2.1081 ClC1=C2NCCSC2=CC=C1 72679 [0,1,0,0,0,1|0,0,2]=4 233 B12R2.1081 ClC1=C2SCCNC2=CC=C1 72678 [0,1,0,0,0,1|0,0,2]=4 234 B12R2.1081 ClC1=NN=NC2=CC=CC=C21 AT14199 [0,1,0,0,0,1|2,0,0]=4 235 B12R2.1081 FC1=CC=NC2=CC=CC=C12 P19300 [0,1,0,0,0,1|1,0,0]=3 236 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 SC2891 [0,1,0,0,0,1|1,0,1]=4 237 B12R2.1081 O=C1C=CNC2=CC=CN=C12 N16989 [0,1,0,0,0,1|2,0,0]=4 238 B12R2.1081 O=C1NC=CC2=C1C=CN=C2 80790 [0,1,0,0,0,1|2,0,0]=4 239 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 37304 [0,1,0,0,0,1|2,0,0]=4 240 B12R2.1081 O=C1NC=CC2=C1C=NC=N2 AT17233 [0,1,0,0,0,1|2,0,0]=4 241 B12R2.1081 O=C1NC=NC2=CC=CN=C12 P10231 [0,1,0,0,0,1|2,0,0]=4 242 B12R2.1081 O=C1OC=NC2=C1C=CC=C2 D72797 [0,1,0,0,0,1|0,1,0]=3 243 B12R2.1081 OC1=CC=NC2=NC=CC=C12 F20689 [0,1,0,0,0,1|2,0,0]=4 244 B12R2.1081 OC1=NC=CC2=CC=CN=C21 54218 [0,1,0,0,0,1|2,0,0]=4 245 B12R2.1081 [2H]C1=CC=CC2=CC=CC=C12 D98917 [0,1,0,0,0,1|2,0,0]=4 246 B12R2.1081 [O-][N+]1=CC=CC2=NC=CC=C21 F15616 [0,1,0,0,0,1|2,0,0]=4 247 B12R2.1 C#CC1=CN=C2C=CC=CN12 O11003 [0,2,0,0,0,0|2,0,0]=4 248 B12R2.1 CSC1=CNC2=C1C=CC=C2 80001 [0,2,0,0,0,0|1,0,1]=4 249 B12R2.1 ClCC1=COC2=C1C=CC=C2 C76142 [0,2,0,0,0,0|1,1,0]=4 250 B12R2.1 N#CC1=C2C=CC=CN2N=C1 58307 [0,2,0,0,0,0|2,0,0]=4 251 B12R2.1 NCC1=CNC2=C1C=CC=C2 C80078 [0,2,0,0,0,0|1,0,1]=4 252 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [0,2,0,0,0,0|1,1,0]=4 253 B12R2.1 O=CC1=C2C=CC=CC2=NN1 F17858 [0,2,0,0,0,0|2,0,0]=4 254 B12R2.1 OCC1=COC2=C1C=CC=C2 AC6184 [0,2,0,0,0,0|1,1,0]=4 255 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)O1 95276 [0,2,0,0,0,0|1,1,0]=4 256 B12R2.18 CC1=C(I)N2C=CC=CC2=N1 F30709 [0,2,0,0,0,0|2,0,0]=4 257 B12R2.18 CC1=C2C=CC=CN2N=C1Cl 81864 [0,2,0,0,0,0|2,0,0]=4 258 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 AC7141 [0,2,0,0,0,0|1,0,1]=4 259 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 Y10946 [0,2,0,0,0,0|1,0,1]=4 260 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [0,2,0,0,0,0|1,0,1]=4 261 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [0,2,0,0,0,0|1,1,0]=4 262 B12R2.132 BrC1=CC2=C(C=C1)NC=C2Br C16409 [0,2,0,0,0,0|1,0,1]=4 263 B12R2.132 CC1=CC2=C(C=C1)SC=C2C 60584 [0,2,0,0,0,0|1,0,0]=3 264 B12R2.132 CC1=CC2=C(C=C1)SN=C2N 50632 [0,2,0,0,0,0|2,0,0]=4 265 B12R2.132 CC1=CC2=C(N)C=NN2C=C1 AT10901 [0,2,0,0,0,0|2,0,0]=4 266 B12R2.132 CC1=CN=C2C=CC(Br)=CN12 85752 [0,2,0,0,0,0|2,0,0]=4 267 B12R2.132 CC1=CN=C2C=CC(I)=CN12 D75336 [0,2,0,0,0,0|2,0,0]=4 268 B12R2.132 FC1=CN2C(I)=CN=C2C=C1 D75315 [0,2,0,0,0,0|2,0,0]=4 269 B12R2.132 FC1=CN=C2C=CC(Cl)=CN12 94284 [0,2,0,0,0,0|2,0,0]=4 270 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 C90107 [0,2,0,0,0,0|1,0,1]=4 271 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 S10690 [0,2,0,0,0,0|1,0,1]=4 272 B12R2.132 NC1=CSC2=NC=C(Br)C=C12 91410 [0,2,0,0,0,0|2,0,0]=4 273 B12R2.132 NC1=NSC2=C1C=C(I)C=C2 D87688 [0,2,0,0,0,0|2,0,0]=4 274 B12R2.132 O=C1C=CC2=C1C=C(Br)C=C2 D78663 [0,2,0,0,0,0|2,0,0]=4 275 B12R2.196 BrC1=CC=CC2=C1NC=C2I F17983 [0,2,0,0,0,0|1,0,1]=4 276 B12R2.196 CC1=CNC2=C(N)C=CC=C12 F50995 [0,2,0,0,0,0|1,0,1]=4 277 B12R2.196 CC1=COC2=C(Br)C=CC=C12 76397 [0,2,0,0,0,0|1,1,0]=4 278 B12R2.196 ClC1=CC=CN2C(Br)=CN=C12 W17148 [0,2,0,0,0,0|2,0,0]=4 279 B12R2.196 ClC1=NSC2=C(Br)C=CC=C12 AT19022 [0,2,0,0,0,0|2,0,0]=4 280 B12R2.196 FC1=CC=CC2=C1SC=C2Br F13551 [0,2,0,0,0,0|1,0,0]=3 281 B12R2.196 NC1=CC=CC2=C1NC=C2Cl AC8606 [0,2,0,0,0,0|1,0,1]=4 282 B12R2.196 NC1=CC=CC2=C1OC=C2Cl F14478 [0,2,0,0,0,0|1,1,0]=4 283 B12R2.203 CC1=CC=CC2=NC=C(Br)N12 75775 [0,2,0,0,0,0|2,0,0]=4 284 B12R2.203 CC1=CC=CC2=NC=C(N)N12 O11476 [0,2,0,0,0,0|2,0,0]=4 285 B12R2.203 CC1=CC=CC2=NO[N+]([O-])=C12 D87814 [0,2,0,0,0,0|2,0,0]=4 286 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 P12117 [0,2,0,0,0,0|1,0,1]=4 287 B12R2.203 CC1=CNC2=CC=CC(Cl)=C12 82101 [0,2,0,0,0,0|1,0,1]=4 288 B12R2.203 CC1=COC2=CC=CC(Br)=C12 F30977 [0,2,0,0,0,0|1,1,0]=4 289 B12R2.203 CN1C=CC2=CC=CC(N)=C21 N13008 [0,2,0,0,0,0|1,0,1]=4 290 B12R2.203 CN1C=NC2=C1C(Br)=NC=C2 91613 [0,2,0,0,0,0|2,0,0]=4 291 B12R2.203 CN1C=NC2=C1C(Cl)=NC=C2 91612 [0,2,0,0,0,0|2,0,0]=4 292 B12R2.203 CN1C=NC2=CC=CC(Cl)=C21 91614 [0,2,0,0,0,0|1,0,0]=3 293 B12R2.203 CN1C=NC2=NC=CC(Cl)=C21 91609 [0,2,0,0,0,0|2,0,0]=4 294 B12R2.203 ClC1=CC=CC2=NC=C(Br)N12 W13276 [0,2,0,0,0,0|2,0,0]=4 295 B12R2.203 FC1=CC=CC2=NC=C(Br)N12 W13591 [0,2,0,0,0,0|2,0,0]=4 296 B12R2.203 FC1=CC=CN2N=CC(Br)=C12 W16462 [0,2,0,0,0,0|2,0,0]=4 297 B12R2.203 FC1=CNC2=CC=CC(Br)=C12 AC1901 [0,2,0,0,0,0|1,0,1]=4 298 B12R2.203 O[C@H]1CSC2=CC=CC(Br)=C21 D76237 [0,2,0,0,0,0|1,0,1]=4 299 B12R2.612 BrC1=CC2=C(C=C1)C(Br)=CS2 81955 [0,2,0,0,0,0|1,0,0]=3 300 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 V10221 [0,2,0,0,0,0|1,1,0]=4 301 B12R2.612 CC1=NSC2=C1C=CC(Br)=C2 E72372 [0,2,0,0,0,0|2,0,0]=4 302 B12R2.612 CC1=NSC2=C1C=CC(N)=C2 E72373 [0,2,0,0,0,0|2,0,0]=4 303 B12R2.612 CN1C=CC2=C1C=CC(F)=C2 98405 [0,2,0,0,0,0|1,0,1]=4 304 B12R2.612 ClC1=CNC2=C1C=CC(Br)=C2 W17736 [0,2,0,0,0,0|1,0,1]=4 305 B12R2.612 FC1=CSC2=C1C=CC(Br)=C2 98454 [0,2,0,0,0,0|1,0,0]=3 306 B12R2.612 OC1=NSC2=C1C=CC(Cl)=C2 F51296 [0,2,0,0,0,0|2,0,0]=4 307 B12R2.32 BrCC1=CC2=C(C=CC=C2)O1 AC6096 [0,2,0,0,0,0|1,1,0]=4 308 B12R2.32 C#CC1=NC2=C(C=CC=C2)S1 D90592 [0,2,0,0,0,0|0,0,0]=2 309 B12R2.32 ClCC1=CC2=C(C=CC=C2)O1 AC6009 [0,2,0,0,0,0|1,1,0]=4 310 B12R2.32 ClCC1=CN2C=CC=CC2=N1 59649 [0,2,0,0,0,0|2,0,0]=4 311 B12R2.32 N#CC1=CN2C=CC=CC2=N1 C15719 [0,2,0,0,0,0|2,0,0]=4 312 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 AC1020 [0,2,0,0,0,0|1,0,0]=3 313 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 20190 [0,2,0,0,0,0|0,1,0]=3 314 B12R2.32 NCC1=NC2=C(C=NC=C2)N1 O10085 [0,2,0,0,0,0|2,0,0]=4 315 B12R2.32 NCC1=NC2=CC=CN=C2S1 F18596 [0,2,0,0,0,0|1,0,0]=3 316 B12R2.32 NNC1=NC2=C(C=NC=C2)N1 79391 [0,2,0,0,0,0|2,0,0]=4 317 B12R2.32 O=CC1=CC2=C(C=CC=N2)S1 98422 [0,2,0,0,0,0|2,0,0]=4 318 B12R2.32 O=CC1=NC2=C(C=CC=C2)O1 C16106 [0,2,0,0,0,0|0,1,0]=3 319 B12R2.32 O=CC1=NN2C=CC=CC2=C1 F14285 [0,2,0,0,0,0|2,0,0]=4 320 B12R2.32 O=CC1=NN2C=CC=CC2=N1 C10020 [0,2,0,0,0,0|2,0,0]=4 321 B12R2.32 OCC1=CC2=C(C=CC=N2)S1 98421 [0,2,0,0,0,0|2,0,0]=4 322 B12R2.32 OCC1=NN2C=CC=CC2=C1 F14284 [0,2,0,0,0,0|2,0,0]=4 323 B12R2.202 BrC1=CC=CC2=C1C=C(I)S2 AC1899 [0,2,0,0,0,0|1,0,0]=3 324 B12R2.202 BrC1=CC=CC2=NC(Br)=NN12 Y10439 [0,2,0,0,0,0|2,0,0]=4 325 B12R2.202 BrC1=CC=CN2N=C(Br)N=C12 AT11268 [0,2,0,0,0,0|2,0,0]=4 326 B12R2.202 CC1=CC2=C(C=CC=C2C)N1 C14038 [0,2,0,0,0,0|1,0,1]=4 327 B12R2.202 CC1=CC2=C(C=CNC2=O)S1 SC1711 [0,2,0,0,0,0|2,0,0]=4 328 B12R2.202 CC1=CC2=C(Cl)C=CC=C2N1 24210 [0,2,0,0,0,0|1,0,1]=4 329 B12R2.202 CC1=CC2=CC=CC(Br)=C2N1 AT16060 [0,2,0,0,0,0|1,0,1]=4 330 B12R2.202 CC1=CC2=CC=CC(Br)=C2O1 76396 [0,2,0,0,0,0|1,1,0]=4 331 B12R2.202 CC1=CC2=CC=CC(N)=C2N1 P20352 [0,2,0,0,0,0|1,0,1]=4 332 B12R2.202 CC1=CC=CC2=C1N=C(C)S2 F15163 [0,2,0,0,0,0|0,0,0]=2 333 B12R2.202 CC1=CC=CC2=C1N=C(Cl)O2 AC2652 [0,2,0,0,0,0|0,1,0]=3 334 B12R2.202 CC1=CC=CC2=C1N=C(N)O2 AC7423 [0,2,0,0,0,0|0,1,0]=3 335 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 F13741 [0,2,0,0,0,0|0,0,0]=2 336 B12R2.202 CC1=CC=CC2=C1N=C(S)O2 AC7364 [0,2,0,0,0,0|0,1,0]=3 337 B12R2.202 CC1=CC=CC2=C1NC(=O)O2 AC6817 [0,2,0,0,0,0|0,1,1]=4 338 B12R2.202 CC1=CC=CC2=C1SC(Br)=N2 W10488 [0,2,0,0,0,0|0,0,0]=2 339 B12R2.202 CC1=CC=CC2=NC(N)=NN12 AC3219 [0,2,0,0,0,0|2,0,0]=4 340 B12R2.202 CC1=CC=CN2N=C(Br)N=C12 S11325 [0,2,0,0,0,0|2,0,0]=4 341 B12R2.202 CC1=CC=CN2N=C(N)N=C12 AC3314 [0,2,0,0,0,0|2,0,0]=4 342 B12R2.202 CC1=CN2C(F)=CC=CC2=N1 F18025 [0,2,0,0,0,0|2,0,0]=4 343 B12R2.202 CC1=CN2C=CC=C(N)C2=N1 26000 [0,2,0,0,0,0|2,0,0]=4 344 B12R2.202 CC1=NC2=C(Br)C=CN=C2N1 C91543 [0,2,0,0,0,0|2,0,0]=4 345 B12R2.202 CC1=NC2=C(C)C=CN=C2N1 F18615 [0,2,0,0,0,0|2,0,0]=4 346 B12R2.202 CC1=NC2=C(N=CN=C2Cl)S1 C91547 [0,2,0,0,0,0|2,0,0]=4 347 B12R2.202 CC1=NC2=CC=CC(Cl)=C2O1 AC3595 [0,2,0,0,0,0|0,1,0]=3 348 B12R2.202 CC1=NC2=CC=CC(F)=C2O1 AC3582 [0,2,0,0,0,0|0,1,0]=3 349 B12R2.202 CC1=NN2C=CC=C(N)C2=N1 AT12138 [0,2,0,0,0,0|2,0,0]=4 350 B12R2.202 CN1C=C2C(I)=CC=CC2=N1 P11314 [0,2,0,0,0,0|2,0,0]=4 351 B12R2.202 FC1=CC=CC2=C1N=C(S)O2 F51108 [0,2,0,0,0,0|0,1,0]=3 352 B12R2.202 NC1=CC=CC2=C1CC(=O)C2 53595 [0,2,0,0,0,0|2,0,0]=4 353 B12R2.202 NC1=CC=CC2=C1N=C(N)O2 AC4477 [0,2,0,0,0,0|0,1,0]=3 354 B12R2.202 NC1=CC=CC2=C1N=C(S)O2 AC4524 [0,2,0,0,0,0|0,1,0]=3 355 B12R2.202 NC1=CC=CC2=C1NC(=O)O2 C16414 [0,2,0,0,0,0|0,1,1]=4 356 B12R2.202 NC1=CN2C(Br)=CC=CC2=N1 86076 [0,2,0,0,0,0|2,0,0]=4 357 B12R2.202 NC1=CN2C(Cl)=CC=CC2=N1 86075 [0,2,0,0,0,0|2,0,0]=4 358 B12R2.202 NC1=CN2C=CC=C(Br)C2=N1 86066 [0,2,0,0,0,0|2,0,0]=4 359 B12R2.202 NC1=NC2=C(F)C=CC=C2O1 AC4839 [0,2,0,0,0,0|0,1,0]=3 360 B12R2.202 NC1=NC2=C(I)C=CC=C2S1 78377 [0,2,0,0,0,0|0,0,0]=2 361 B12R2.202 NC1=NC2=C(S1)C(Br)=NC=C2 CS2667 [0,2,0,0,0,0|1,0,0]=3 362 B12R2.202 NC1=NC2=CC=CC(Cl)=C2O1 AC6529 [0,2,0,0,0,0|0,1,0]=3 363 B12R2.202 NC1=NC2=CC=CC(F)=C2O1 P12618 [0,2,0,0,0,0|0,1,0]=3 364 B12R2.202 NC1=NN2C(Cl)=CC=CC2=N1 51742 [0,2,0,0,0,0|2,0,0]=4 365 B12R2.202 NC1=NN2C=CC=C(F)C2=N1 AC3347 [0,2,0,0,0,0|2,0,0]=4 366 B12R2.202 NC1=NN2C=CC=C(O)C2=N1 AC3434 [0,2,0,0,0,0|2,0,0]=4 367 B12R2.202 O=C1C=CN=C2SC(Br)=NN12 D73947 [0,2,0,0,0,0|2,0,0]=4 368 B12R2.202 O=C1CC2=CC=CC(I)=C2N1 D76870 [0,2,0,0,0,0|1,0,1]=4 369 B12R2.202 O=C1NC2=C(Br)C=CC=C2O1 C92124 [0,2,0,0,0,0|0,1,1]=4 370 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 AT12815 [0,2,0,0,0,0|1,0,1]=4 371 B12R2.202 O=C1NC2=CC=CC(Cl)=C2O1 AC6894 [0,2,0,0,0,0|0,1,1]=4 372 B12R2.202 SC1=NC2=CC=CC(Br)=C2S1 C13594 [0,2,0,0,0,0|0,0,0]=2 373 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)S1 82307 [0,2,0,0,0,0|1,0,0]=3 374 B12R2.606 CC1=CC2=C(C=C1)N=C(C)O2 AC6304 [0,2,0,0,0,0|0,1,0]=3 375 B12R2.606 CC1=CC2=C(C=C1)NC(=O)O2 AC5672 [0,2,0,0,0,0|0,1,1]=4 376 B12R2.606 CC1=CC2=C(C=C1)SC(=O)N2 O11473 [0,2,0,0,0,0|0,0,1]=3 377 B12R2.606 CC1=CC2=C(C=C1)SC(S)=N2 O11474 [0,2,0,0,0,0|0,0,0]=2 378 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 D78665 [0,2,0,0,0,0|1,1,0]=4 379 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 AC5757 [0,2,0,0,0,0|1,1,0]=4 380 B12R2.606 CC1=CC2=C(N=C1)OC(S)=N2 F51309 [0,2,0,0,0,0|1,1,0]=4 381 B12R2.606 CC1=CC2=NC(N)=NN2C=C1 AC3313 [0,2,0,0,0,0|2,0,0]=4 382 B12R2.606 CC1=CN2C=C(Cl)N=C2C=C1 81882 [0,2,0,0,0,0|2,0,0]=4 383 B12R2.606 CC1=CN2C=CC(O)=CC2=N1 AT11359 [0,2,0,0,0,0|2,0,0]=4 384 B12R2.606 CC1=CN2N=C(N)N=C2C=C1 AC3312 [0,2,0,0,0,0|2,0,0]=4 385 B12R2.606 CC1=NC2=C(C=C(F)C=C2)O1 AC5868 [0,2,0,0,0,0|0,1,0]=3 386 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 A12583 [0,2,0,0,0,0|0,1,0]=3 387 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 75571 [0,2,0,0,0,0|0,0,0]=2 388 B12R2.606 CC1=NC2=C(C=C1)N=C(N)N2 D73149 [0,2,0,0,0,0|2,0,0]=4 389 B12R2.606 CC1=NC2=C(C=C1)OC(S)=N2 F51231 [0,2,0,0,0,0|1,1,0]=4 390 B12R2.606 CC1=NC2=CC(N)=CN=C2N1 C90371 [0,2,0,0,0,0|2,0,0]=4 391 B12R2.606 CC1=NC2=NC=C(Cl)C=C2N1 D78631 [0,2,0,0,0,0|2,0,0]=4 392 B12R2.606 CC1=NN2C=C(N)C=CC2=N1 AT12173 [0,2,0,0,0,0|2,0,0]=4 393 B12R2.606 CN1C=C2C=CC(I)=CC2=N1 P11316 [0,2,0,0,0,0|2,0,0]=4 394 B12R2.606 CN1C=C2C=CC(O)=CC2=N1 P20216 [0,2,0,0,0,0|2,0,0]=4 395 B12R2.606 ClC1=CC2=C(C=C1)C=C(Cl)N2 F52575 [0,2,0,0,0,0|1,0,1]=4 396 B12R2.606 ClC1=CC2=C(C=C1)SC(Br)=C2 F19742 [0,2,0,0,0,0|1,0,0]=3 397 B12R2.606 ClC1=CN=C2OC(Cl)=NC2=C1 AC4578 [0,2,0,0,0,0|1,1,0]=4 398 B12R2.606 ClC1=NC2=C(N=C(Br)C=C2)S1 W11372 [0,2,0,0,0,0|1,0,0]=3 399 B12R2.606 ClC1=NC2=C(N=C(Br)C=N2)S1 95225 [0,2,0,0,0,0|2,0,0]=4 400 B12R2.606 FC1=CC2=C(C=C(Br)C=C2)S1 98453 [0,2,0,0,0,0|1,0,0]=3 401 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 26691 [0,2,0,0,0,0|0,1,0]=3 402 B12R2.606 FC1=CN2C=C(Cl)N=C2C=C1 81879 [0,2,0,0,0,0|2,0,0]=4 403 B12R2.606 NC1=CC2=C(C=C(Br)C=C2)S1 37562 [0,2,0,0,0,0|1,0,0]=3 404 B12R2.606 NC1=CC2=C(C=C1)OC(N)=N2 AC6531 [0,2,0,0,0,0|0,1,0]=3 405 B12R2.606 NC1=CC2=C(C=C1)OC(S)=N2 AC5706 [0,2,0,0,0,0|0,1,0]=3 406 B12R2.606 NC1=CC2=C(C=CC(Br)=C2)S1 P16602 [0,2,0,0,0,0|1,0,0]=3 407 B12R2.606 NC1=CN2C=C(Br)C=CC2=N1 84498 [0,2,0,0,0,0|2,0,0]=4 408 B12R2.606 NC1=CN2C=C(F)C=CC2=N1 86071 [0,2,0,0,0,0|2,0,0]=4 409 B12R2.606 NC1=CN2C=CC(Br)=CC2=N1 86060 [0,2,0,0,0,0|2,0,0]=4 410 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)N1 W14684 [0,2,0,0,0,0|1,0,0]=3 411 B12R2.606 NC1=NC2=CC(Cl)=CN=C2O1 AC3425 [0,2,0,0,0,0|1,1,0]=4 412 B12R2.606 NC1=NN2C=C(F)C=CC2=N1 91005 [0,2,0,0,0,0|2,0,0]=4 413 B12R2.606 NC1=NN2C=C(I)C=CC2=N1 AC3349 [0,2,0,0,0,0|2,0,0]=4 414 B12R2.606 NC1=NN2C=CC(F)=CC2=N1 AC3348 [0,2,0,0,0,0|2,0,0]=4 415 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 C14119 [0,2,0,0,0,0|0,0,1]=3 416 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 D77666 [0,2,0,0,0,0|1,0,0]=3 417 B12R2.606 S=C1NC2=C(C=C(I)C=C2)N1 D78584 [0,2,0,0,0,0|1,0,1]=4 418 B12R2.44 BrCC1=CC2=C(C=C1)N=CS2 C75330 [0,2,0,0,0,0|0,0,0]=2 419 B12R2.44 BrCC1=CC2=C(C=C1)OC=C2 AC5003 [0,2,0,0,0,0|1,1,0]=4 420 B12R2.44 BrCC1=CC2=NSN=C2C=C1 S12027 [0,2,0,0,0,0|2,0,0]=4 421 B12R2.44 C#CC1=CN2C=CN=C2C=C1 81062 [0,2,0,0,0,0|2,0,0]=4 422 B12R2.44 CCC1=CC2=C(C=CN2)C=C1 72108 [0,2,0,0,0,0|1,0,1]=4 423 B12R2.44 COC1=CC2=C(C=C1)SN=N2 D77627 [0,2,0,0,0,0|1,0,0]=3 424 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [0,2,0,0,0,0|2,0,0]=4 425 B12R2.44 COC1=CN=C2N=CNC2=C1 F18481 [0,2,0,0,0,0|2,0,0]=4 426 B12R2.44 CSC1=CC2=C(C=CN2)C=C1 F17545 [0,2,0,0,0,0|1,0,1]=4 427 B12R2.44 N#CC1=CC2=C(C=CO2)C=C1 57244 [0,2,0,0,0,0|1,1,0]=4 428 B12R2.44 N#CC1=CC2=C(C=CS2)N=C1 P11044 [0,2,0,0,0,0|2,0,0]=4 429 B12R2.44 N#CC1=CN=C2NC=NC2=C1 F17990 [0,2,0,0,0,0|2,0,0]=4 430 B12R2.44 NCC1=CC2=C(C=C1)N=CO2 AC5137 [0,2,0,0,0,0|0,1,0]=3 431 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F13229 [0,2,0,0,0,0|1,1,0]=4 432 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F20150 [0,2,0,0,0,0|1,1,0]=4 433 B12R2.44 NCC1=CC2=C(C=C1)OC=N2 AC2206 [0,2,0,0,0,0|0,1,0]=3 434 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 73943 [0,2,0,0,0,0|1,0,0]=3 435 B12R2.44 NNC1=CC2=C(C=C1)NC=C2 F17872 [0,2,0,0,0,0|1,0,1]=4 436 B12R2.44 OCC1=CC2=NC=NN2C=C1 AT24351 [0,2,0,0,0,0|2,0,0]=4 437 B12R2.44 OCC1=CN2C=CN=C2C=C1 C14949 [0,2,0,0,0,0|2,0,0]=4 438 B12R2.44 OCC1=CN2N=CC=C2C=C1 97816 [0,2,0,0,0,0|2,0,0]=4 439 B12R2.44 OCC1=CN=C2NC=NC2=C1 F18729 [0,2,0,0,0,0|2,0,0]=4 440 B12R2.82 CC1=C(Br)C2=NC=CN2C=C1 E72060 [0,2,0,0,0,0|2,0,0]=4 441 B12R2.82 CC1=C(Cl)C2=C(C=C1)N=CN2 F11869 [0,2,0,0,0,0|1,0,0]=3 442 B12R2.82 CC1=C(N)C=CC2=C1C=CN2 51990 [0,2,0,0,0,0|1,0,1]=4 443 B12R2.82 CN1C=CC2=C(C=CS2)C1=O AT13030 [0,2,0,0,0,0|2,0,0]=4 444 B12R2.82 CN1C=CC2=C(SC=C2)C1=O AT13025 [0,2,0,0,0,0|2,0,0]=4 445 B12R2.82 ClC1=C(Cl)C2=C(C=CS2)C=C1 93569 [0,2,0,0,0,0|1,0,0]=3 446 B12R2.82 ClC1=C(I)C=CN2C=CN=C12 82449 [0,2,0,0,0,0|2,0,0]=4 447 B12R2.82 FC1=C(Br)C2=C(C=C1)OC=C2 F53265 [0,2,0,0,0,0|1,1,0]=4 448 B12R2.82 FC1=C(Br)C=CC2=C1N=CN2 90408 [0,2,0,0,0,0|1,0,0]=3 449 B12R2.82 FC1=C(Br)C=CC2=NC=NN21 W16471 [0,2,0,0,0,0|2,0,0]=4 450 B12R2.82 FC1=C(Cl)C2=C(C=C1)NC=C2 F30325 [0,2,0,0,0,0|1,0,1]=4 451 B12R2.82 FC1=C(F)C2=C(C=C1)N=CO2 AC4484 [0,2,0,0,0,0|0,1,0]=3 452 B12R2.82 FC1=C(F)C2=C(C=CN2)C=C1 AT25622 [0,2,0,0,0,0|1,0,1]=4 453 B12R2.82 NC1=C(Br)C2=C(C=C1)NC=C2 AC4737 [0,2,0,0,0,0|1,0,1]=4 454 B12R2.82 NC1=C(Br)C2=NC=CN2C=C1 66479 [0,2,0,0,0,0|2,0,0]=4 455 B12R2.82 NC1=C(Cl)C2=NSN=C2C=C1 S12209 [0,2,0,0,0,0|2,0,0]=4 456 B12R2.82 NC1=C(Cl)C=CC2=NON=C21 D75426 [0,2,0,0,0,0|2,0,0]=4 457 B12R2.82 NC1=C(Cl)C=CN2C=CN=C12 93543 [0,2,0,0,0,0|2,0,0]=4 458 B12R2.82 OC1=C(F)C2=C(C=CO2)C=C1 AC2179 [0,2,0,0,0,0|1,1,0]=4 459 B12R2.100 CC1=C(O)C=C2C=CNC2=C1 85913 [0,2,0,0,0,0|1,0,1]=4 460 B12R2.100 CC1=CC2=CNN=C2C=C1Br W11948 [0,2,0,0,0,0|2,0,0]=4 461 B12R2.100 FC1=C(Br)C=C2N=CSC2=C1 AT10495 [0,2,0,0,0,0|0,0,0]=2 462 B12R2.100 FC1=C(Br)C=C2OC=CC2=C1 C91342 [0,2,0,0,0,0|1,1,0]=4 463 B12R2.100 FC1=C(Br)C=C2SC=NC2=C1 P19198 [0,2,0,0,0,0|0,0,0]=2 464 B12R2.100 FC1=C(F)C=C2CC=CC2=C1 F12459 [0,2,0,0,0,0|2,0,0]=4 465 B12R2.100 FC1=C(I)C=C2C=CNC2=C1 AC7204 [0,2,0,0,0,0|1,0,1]=4 466 B12R2.100 FC1=CC2=NC=NN2C=C1Br W16436 [0,2,0,0,0,0|2,0,0]=4 467 B12R2.100 FC1=CC2=NON=C2C=C1F F53440 [0,2,0,0,0,0|2,0,0]=4 468 B12R2.100 NC1=C(Cl)C=C2N=COC2=C1 F11839 [0,2,0,0,0,0|0,1,0]=3 469 B12R2.100 NC1=CC2=C(C=C1N)NC=N2 D95042 [0,2,0,0,0,0|1,0,0]=3 470 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 P11885 [0,2,0,0,0,0|1,0,1]=4 471 B12R2.100 OC1=C(F)C=C2NC=CC2=C1 Y10133 [0,2,0,0,0,0|1,0,1]=4 472 B12R2.246 BrC1=CC(I)=C2C=CNC2=C1 C90680 [0,2,0,0,0,0|1,0,1]=4 473 B12R2.246 BrC1=CC(I)=CN2C=CN=C12 AC8950 [0,2,0,0,0,0|2,0,0]=4 474 B12R2.246 BrC1=CN2N=CC=C2C(Br)=C1 D84786 [0,2,0,0,0,0|2,0,0]=4 475 B12R2.246 CC1=C2N=CNC2=CC(Br)=C1 W10485 [0,2,0,0,0,0|1,0,0]=3 476 B12R2.246 CC1=CC(F)=C2NC=CC2=C1 68932 [0,2,0,0,0,0|1,0,1]=4 477 B12R2.246 CC1=CC2=NNC=C2C(C)=C1 D93614 [0,2,0,0,0,0|2,0,0]=4 478 B12R2.246 CC1=CN2C=CN=C2C(Br)=C1 66478 [0,2,0,0,0,0|2,0,0]=4 479 B12R2.246 ClC1=CC(Cl)=C2OC=NC2=C1 AC5081 [0,2,0,0,0,0|0,1,0]=3 480 B12R2.246 ClC1=CC2=C(NC=N2)C(Cl)=N1 S10221 [0,2,0,0,0,0|2,0,0]=4 481 B12R2.246 ClC1=CN2N=CN=C2C(Cl)=C1 D80135 [0,2,0,0,0,0|2,0,0]=4 482 B12R2.246 FC1=C2NN=NC2=CC(Br)=C1 96163 [0,2,0,0,0,0|2,0,0]=4 483 B12R2.246 FC1=C2NN=NC2=CC(Cl)=C1 96164 [0,2,0,0,0,0|2,0,0]=4 484 B12R2.246 FC1=CC(Br)=C2N=NNC2=C1 D77254 [0,2,0,0,0,0|2,0,0]=4 485 B12R2.246 FC1=CC(Cl)=CN2N=CN=C12 W16465 [0,2,0,0,0,0|2,0,0]=4 486 B12R2.246 NC1=C2NC=CC2=CC(F)=C1 P18386 [0,2,0,0,0,0|1,0,1]=4 487 B12R2.246 NC1=CC(Cl)=C2C=CNC2=C1 P10516 [0,2,0,0,0,0|1,0,1]=4 488 B12R2.246 NC1=CC2=C(C=CN2)C(N)=C1 F12150 [0,2,0,0,0,0|1,0,1]=4 489 B12R2.246 NC1=NC2=C(N=CS2)C(Cl)=N1 D73363 [0,2,0,0,0,0|2,0,0]=4 490 B12R2.246 O=C1C=C(O)C2=C(N1)SC=C2 O11244 [0,2,0,0,0,0|2,0,0]=4 491 B12R2.246 O=C1NC(=O)C2=C(N1)SC=N2 30815 [0,2,0,0,0,0|2,0,0]=4 492 B12R2.246 OC1=CC(Cl)=CN2C=CN=C12 Y10596 [0,2,0,0,0,0|2,0,0]=4 493 B12R2.246 OC1=CC(F)=CC2=C1N=CS2 C15038 [0,2,0,0,0,0|0,0,0]=2 494 B12R2.246 OC1=NC(O)=C2SC=NC2=N1 O12149 [0,2,0,0,0,0|2,0,0]=4 495 B12R2.221 CC1=C2C=CNC2=C(C)C=C1 I11443 [0,2,0,0,0,0|1,0,1]=4 496 B12R2.221 CC1=C2NC=CC2=C(O)C=C1 F18320 [0,2,0,0,0,0|1,0,1]=4 497 B12R2.221 CC1=C2OC=CC2=C(Br)C=C1 AT15375 [0,2,0,0,0,0|1,1,0]=4 498 B12R2.221 CC1=C2OC=CC2=C(N)C=C1 F14424 [0,2,0,0,0,0|1,1,0]=4 499 B12R2.221 CC1=CN=C(Cl)C2=C1NC=N2 P20930 [0,2,0,0,0,0|2,0,0]=4 500 B12R2.221 CC1=CN=C(N)C2=C1N=CN2 I10894 [0,2,0,0,0,0|2,0,0]=4 501 B12R2.221 ClC1=CN=C(Cl)C2=C1NC=N2 80909 [0,2,0,0,0,0|2,0,0]=4 502 B12R2.221 O=C1NC=C(Cl)C2=C1C=CS2 D74409 [0,2,0,0,0,0|2,0,0]=4 503 B12R2.221 OC1=C2C=CNC2=C(Cl)C=C1 W10565 [0,2,0,0,0,0|1,0,1]=4 504 B12R2.315 BrCC1=CC=CC2=NON=C12 O11082 [0,2,0,0,0,0|2,0,0]=4 505 B12R2.315 CCC1=CC=CC2=C1C=CN2 F18194 [0,2,0,0,0,0|1,0,1]=4 506 B12R2.315 CNC1=NC=CC2=C1N=CN2 O12026 [0,2,0,0,0,0|2,0,0]=4 507 B12R2.315 COC1=CC=CC2=C1N=CS2 76145 [0,2,0,0,0,0|0,0,0]=2 508 B12R2.315 COC1=CC=CC2=CC=NN21 C90959 [0,2,0,0,0,0|2,0,0]=4 509 B12R2.315 CSC1=C2NC=CC2=CC=C1 89387 [0,2,0,0,0,0|1,0,1]=4 510 B12R2.315 ClCC1=CC=CN2C=CN=C12 F17760 [0,2,0,0,0,0|2,0,0]=4 511 B12R2.315 N#CC1=C2N=CNC2=CN=C1 P13438 [0,2,0,0,0,0|2,0,0]=4 512 B12R2.315 N#CC1=NC=CC2=C1N=CN2 P12027 [0,2,0,0,0,0|2,0,0]=4 513 B12R2.315 NCC1=C2N=CNC2=CN=C1 P13439 [0,2,0,0,0,0|2,0,0]=4 514 B12R2.315 NCC1=C2N=CNC2=NC=C1 P17904 [0,2,0,0,0,0|2,0,0]=4 515 B12R2.315 NCC1=C2OC=NC2=CC=C1 AC2207 [0,2,0,0,0,0|0,1,0]=3 516 B12R2.315 NCC1=C2SC=NC2=CC=C1 AT24346 [0,2,0,0,0,0|0,0,0]=2 517 B12R2.315 N\N=C1/NC=CC2=C1C=CS2 D74405 [0,2,0,0,0,0|2,0,0]=4 518 B12R2.315 OCC1=C2NC=NC2=NC=C1 F17838 [0,2,0,0,0,0|2,0,0]=4 519 B12R2.315 OCC1=C2SC=NC2=CC=C1 O11691 [0,2,0,0,0,0|0,0,0]=2 520 B12R2.315 OCC1=CC=CC2=C1N=CS2 98410 [0,2,0,0,0,0|0,0,0]=2 521 B12R2.315 OCC1=CC=CC2=CC=NN21 AT10924 [0,2,0,0,0,0|2,0,0]=4