0 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.2 C#CC1=CC(Cl)=CN=C1 C44423 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.2 C#CC1=CC=CC(F)=N1 E32331 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.2 C#CC1=CN=CC(N)=C1 E45200 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.2 C#CC1=NC(C)=CC=C1 E13754 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.2 C=CC1=CC(Br)=CN=C1 B38372 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.2 C=CC1=CC(F)=CN=C1 E16704 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.2 CC1=CC(C#N)=CN=C1 M45202 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.2 CC1=CC(C#N)=NN=C1 M15410 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.2 CC1=CC(CO)=NN=C1 M27710 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.2 CC1=CC=CC(C#N)=N1 C7796 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.2 CC1=CC=NC(C#N)=N1 M14134 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.2 CC1=CC=NC(CCl)=N1 C11471 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.2 CC1=CN=CC(C#N)=N1 M42469 [0,0,0,0,0,0|1,0,1]=2 38 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [0,0,0,0,0,0|1,0,1]=2 39 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [0,0,0,0,0,0|1,0,0]=1 40 B9R1.2 CC1=CN=NC(CN)=C1 A13026 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.2 CC1=CN=NC(CN)=C1 M27097 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.2 CNC1=CC=NC(Cl)=N1 C41077 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.2 CNC1=NC=CC(Br)=N1 B41064 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.2 CNC1=NC=CC(Cl)=N1 C22466 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.2 COC1=CC(=O)NN=C1 M17895 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.2 COC1=CC(Cl)=NN=C1 C11516 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.2 COC1=CC(O)=CC=C1 M27960 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.2 COC1=CC=CC(F)=C1 F45965 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.2 COC1=CC=CC(F)=N1 F67375 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.2 COC1=CC=CC(I)=C1 K45966 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.2 COC1=CC=CC(I)=N1 K42932 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.2 COC1=CC=NC(Br)=N1 B38735 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.2 COC1=CC=NC(Cl)=N1 C40928 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.2 COC1=CC=NC(I)=N1 K40943 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.2 COC1=CN=CC(Cl)=N1 C2454 [0,0,0,0,0,0|2,0,0]=2 82 B9R1.2 COC1=CN=CC(I)=N1 I2676 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.2 COC1=CN=CC(N)=C1 A14114 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.2 COC1=CN=CC(N)=C1 A7930 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.2 COC1=CN=CC(O)=C1 M43136 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,0,0,0,0,0|2,0,0]=2 87 B9R1.2 COC1=NC(C)=CC=N1 M43202 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.2 COC1=NC(C)=NC=C1 M43205 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.2 COC1=NC(N)=CC=C1 A43190 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.2 COC1=NC(N)=CC=N1 A4018 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.2 COC1=NC(N)=CN=C1 A8995 [0,0,0,0,0,0|2,0,0]=2 92 B9R1.2 COC1=NC(N)=NC=C1 M0076 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.2 COC1=NC=CC(Br)=N1 B5967 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.2 COC1=NC=CC(Cl)=N1 C40930 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.2 CSC1=CC=NC(Cl)=N1 C2667 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.2 CSC1=NC(O)=CC=N1 M5030 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.2 CSC1=NC=CC(Br)=N1 B40874 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.2 CSC1=NC=CC(Cl)=N1 C2497 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.2 CSC1=NC=CC(I)=N1 I2674 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [0,0,0,0,0,0|3,0,0]=3 106 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [0,0,0,0,0,0|3,0,0]=3 110 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [0,0,0,0,0,0|3,0,0]=3 112 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [0,0,0,0,0,0|3,0,0]=3 115 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [0,0,0,0,0,0|3,0,0]=3 116 B9R1.2 N#CC1=CC(Br)=CN=C1 B12737 [0,0,0,0,0,0|3,0,1]=4 117 B9R1.2 N#CC1=CC(Cl)=CN=C1 C41827 [0,0,0,0,0,0|3,0,1]=4 118 B9R1.2 N#CC1=CC(F)=CN=C1 F41835 [0,0,0,0,0,0|3,0,1]=4 119 B9R1.2 N#CC1=CC(O)=CN=C1 H36685 [0,0,0,0,0,0|3,0,1]=4 120 B9R1.2 N#CC1=CC=CC(Br)=N1 B0018 [0,0,0,0,0,0|3,0,1]=4 121 B9R1.2 N#CC1=CC=CC(Cl)=N1 C4790 [0,0,0,0,0,0|3,0,1]=4 122 B9R1.2 N#CC1=CC=CC(F)=N1 F38605 [0,0,0,0,0,0|3,0,1]=4 123 B9R1.2 N#CC1=CN=CC(Br)=N1 B40486 [0,0,0,0,0,0|2,0,1]=3 124 B9R1.2 N#CC1=CN=CC(Cl)=N1 C4892 [0,0,0,0,0,0|2,0,1]=3 125 B9R1.2 N#CC1=CN=CC(N)=C1 A37387 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.2 N#CC1=NC(N)=CC=C1 A23336 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.2 N#CC1=NC(N)=CN=C1 A11545 [0,0,0,0,0,0|2,0,1]=3 128 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [0,0,0,0,0,0|3,0,0]=3 129 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [0,0,0,0,0,0|4,0,0]=4 130 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.2 NC1=NC=CC(CO)=N1 A38214 [0,0,0,0,0,0|4,0,0]=4 132 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [0,0,0,0,0,0|3,0,0]=3 133 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [0,0,0,0,0,0|3,0,0]=3 135 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [0,0,0,0,0,0|3,0,0]=3 137 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [0,0,0,0,0,0|4,0,0]=4 138 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [0,0,0,0,0,0|4,0,0]=4 139 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [0,0,0,0,0,0|4,0,0]=4 140 B9R1.2 NCC1=CC=NC(Cl)=N1 C29619 [0,0,0,0,0,0|4,0,0]=4 141 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [0,0,0,0,0,0|2,0,0]=2 142 B9R1.2 NNC1=CC=CC(Br)=N1 B41059 [0,0,0,0,0,0|4,0,0]=4 143 B9R1.2 NNC1=CC=CC(Cl)=N1 C4990 [0,0,0,0,0,0|4,0,0]=4 144 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [0,0,0,0,0,0|3,0,1]=4 145 B9R1.2 O=CC1=CC(Br)=CN=C1 B3012 [0,0,0,0,0,0|3,0,1]=4 146 B9R1.2 O=CC1=CC(Cl)=CN=C1 C15036 [0,0,0,0,0,0|3,0,1]=4 147 B9R1.2 O=CC1=CC(F)=CN=C1 F15543 [0,0,0,0,0,0|3,0,1]=4 148 B9R1.2 O=CC1=CC=CC(Br)=N1 B0253 [0,0,0,0,0,0|3,0,1]=4 149 B9R1.2 O=CC1=CC=CC(Cl)=N1 C42296 [0,0,0,0,0,0|3,0,1]=4 150 B9R1.2 O=CC1=CC=CC(F)=N1 F42303 [0,0,0,0,0,0|3,0,1]=4 151 B9R1.2 O=CC1=CN=CC(Cl)=N1 C14597 [0,0,0,0,0,0|2,0,1]=3 152 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [0,0,0,0,0,0|3,0,1]=4 153 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [0,0,0,0,0,0|4,0,0]=4 154 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [0,0,0,0,0,0|3,0,0]=3 155 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [0,0,0,0,0,0|3,0,0]=3 156 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [0,0,0,0,0,0|3,0,0]=3 157 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [0,0,0,0,0,0|3,0,0]=3 158 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [0,0,0,0,0,0|3,0,0]=3 159 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [0,0,0,0,0,0|4,0,0]=4 160 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [0,0,0,0,0,0|3,0,0]=3 161 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [0,0,0,0,0,0|3,0,0]=3 162 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [0,0,0,0,0,0|4,0,0]=4 163 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [0,0,0,0,0,0|3,0,0]=3 164 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [0,0,0,0,0,0|4,0,0]=4 165 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [0,0,0,0,0,0|2,0,0]=2 166 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [0,0,0,0,0,0|2,0,0]=2 167 B8R1.2 BrCC1=CN=CC=C1 B23879 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.2 BrCC1=CN=CN=C1 B36879 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.2 BrCC1=NC=CC=C1 B42841 [1,0,0,0,0,0|2,0,0]=3 170 B8R1.2 BrCC1=NC=CN=C1 B36766 [1,0,0,0,0,0|1,0,0]=2 171 B8R1.2 BrCC1=NC=NC=C1 B32305 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.2 BrCC1=NN=CC=C1 B36818 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.2 C#CC1=CC=CN=C1 E12479 [1,0,0,0,0,0|1,0,2]=4 174 B8R1.2 C#CC1=NC=CC=C1 E12434 [1,0,0,0,0,0|1,0,2]=4 175 B8R1.2 C#CC1=NC=CN=C1 E14588 [1,0,0,0,0,0|0,0,2]=3 176 B8R1.2 CCC1=NC=CN=C1 E43180 [1,0,0,0,0,0|0,0,0]=1 177 B8R1.2 CNC1=CC=CN=C1 M38086 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.2 CNC1=CN=CN=C1 M29839 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.2 CNC1=CN=NC=C1 M38382 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.2 CNC1=NC=CN=C1 M41140 [1,0,0,0,0,0|1,0,0]=2 181 B8R1.2 COC1=CN=CC=C1 M67978 [1,0,0,0,0,0|2,0,0]=3 182 B8R1.2 COC1=CN=NC=C1 M41023 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.2 COC1=NC=CC=C1 M39277 [1,0,0,0,0,0|2,0,0]=3 184 B8R1.2 COC1=NC=CN=C1 M2768 [1,0,0,0,0,0|1,0,0]=2 185 B8R1.2 COC1=NN=CC=C1 M41021 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.2 CSC1=NC=CC=N1 M2492 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.2 CSC1=NN=CC=N1 M5642 [1,0,0,0,0,0|2,0,0]=3 188 B8R1.2 ClCC1=CN=CN=C1 C10228 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.2 ClCC1=NC=CC=C1 C67870 [1,0,0,0,0,0|2,0,0]=3 190 B8R1.2 ClCC1=NC=CC=N1 C0153 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.2 ClCC1=NC=CC=N1 C40877 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.2 ClCC1=NC=CN=C1 C0149 [1,0,0,0,0,0|1,0,0]=2 193 B8R1.2 ClCC1=NC=NC=C1 C40878 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.2 ClCC1=NN=CC=C1 C0156 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.2 N#CC1=NC=CN=C1 C68117 [1,0,0,0,0,0|1,0,1]=3 196 B8R1.2 NCC1=CC=CN=C1 A69257 [1,0,0,0,0,0|2,0,0]=3 197 B8R1.2 NCC1=CC=CN=N1 A0031 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.2 NCC1=CC=CN=N1 P29569 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.2 NCC1=CN=CN=C1 P0028 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.2 NCC1=CN=CN=C1 P29548 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.2 NCC1=CN=NC=C1 A0027 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.2 NCC1=CN=NC=C1 P41350 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.2 NCC1=NC=CC=N1 A7421 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.2 NCC1=NC=CC=N1 P0030 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.2 NCC1=NC=CN=C1 P0029 [1,0,0,0,0,0|1,0,0]=2 206 B8R1.2 NCC1=NC=CN=C1 P4303 [1,0,0,0,0,0|1,0,0]=2 207 B8R1.2 NCC1=NC=NC=C1 A0032 [1,0,0,0,0,0|3,0,0]=4 208 B8R1.2 NCC1=NC=NC=C1 A10198 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.2 NCC1=NC=NC=C1 P23754 [1,0,0,0,0,0|3,0,0]=4 210 B8R1.2 NNC1=CC=CN=C1 H0043 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.2 NNC1=CC=CN=C1 H41349 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.2 NNC1=NC=CC=C1 H38511 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.2 NNC1=NC=CN=C1 H0220 [1,0,0,0,0,0|2,0,0]=3 214 B8R1.2 O=CC1=CN=CC=C1 P13753 [1,0,0,0,0,0|2,0,1]=4 215 B8R1.2 O=CC1=NC=CC=C1 P67836 [1,0,0,0,0,0|2,0,1]=4 216 B8R1.2 O=CC1=NC=CN=C1 P0148 [1,0,0,0,0,0|1,0,1]=3 217 B8R1.2 OCC1=CN=CC=C1 P15946 [1,0,0,0,0,0|2,0,0]=3 218 B8R1.2 OCC1=CN=CN=C1 P0145 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.2 OCC1=NC=CC=C1 P69303 [1,0,0,0,0,0|2,0,0]=3 220 B8R1.2 OCC1=NC=CC=N1 P0151 [1,0,0,0,0,0|3,0,0]=4 221 B8R1.2 OCC1=NC=CN=C1 P0147 [1,0,0,0,0,0|1,0,0]=2 222 B8R1.2 OCC1=NC=NC=C1 P0160 [1,0,0,0,0,0|3,0,0]=4 223 B8R1.2 OCC1=NN=CC=C1 P0155 [1,0,0,0,0,0|3,0,0]=4 224 B8R1.4 BrC1=CC(I)=CN=C1 B22533 [1,0,0,0,0,0|3,0,0]=4 225 B8R1.4 BrC1=CC=CC(Br)=N1 D24616 [1,0,0,0,0,0|3,0,0]=4 226 B8R1.4 BrC1=CC=CC(I)=N1 B40637 [1,0,0,0,0,0|3,0,0]=4 227 B8R1.4 BrC1=CN=CC(Br)=C1 D2466 [1,0,0,0,0,0|3,0,0]=4 228 B8R1.4 BrC1=CN=CC(Br)=N1 D39976 [1,0,0,0,0,0|2,0,0]=3 229 B8R1.4 CC1=CC(=O)NN=C1 M5789 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [1,0,0,0,0,0|2,0,0]=3 231 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [1,0,0,0,0,0|2,0,0]=3 232 B8R1.4 CC1=CC(Cl)=NN=C1 C2948 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.4 CC1=CC(F)=CN=C1 F42848 [1,0,0,0,0,0|2,0,0]=3 234 B8R1.4 CC1=CC(O)=CN=C1 H23648 [1,0,0,0,0,0|2,0,0]=3 235 B8R1.4 CC1=CC=CC(=O)N1 M23064 [1,0,0,0,0,0|2,0,1]=4 236 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [1,0,0,0,0,0|2,0,0]=3 237 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [1,0,0,0,0,0|2,0,0]=3 238 B8R1.4 CC1=CC=CC(F)=N1 F39268 [1,0,0,0,0,0|2,0,0]=3 239 B8R1.4 CC1=CC=CC(I)=C1 K68735 [1,0,0,0,0,0|3,0,0]=4 240 B8R1.4 CC1=CC=CC(I)=N1 K42850 [1,0,0,0,0,0|2,0,0]=3 241 B8R1.4 CC1=CC=CC(N)=N1 A13755 [1,0,0,0,0,0|2,0,0]=3 242 B8R1.4 CC1=CC=CC(S)=N1 M38177 [1,0,0,0,0,0|2,0,0]=3 243 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.4 CC1=CC=NC(Br)=N1 B40870 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.4 CC1=CC=NC(C)=N1 D43181 [1,0,0,0,0,0|2,0,0]=3 246 B8R1.4 CC1=CC=NC(Cl)=N1 C3497 [1,0,0,0,0,0|3,0,0]=4 247 B8R1.4 CC1=CC=NC(I)=N1 I37139 [1,0,0,0,0,0|3,0,0]=4 248 B8R1.4 CC1=CC=NC(N)=N1 M41141 [1,0,0,0,0,0|3,0,0]=4 249 B8R1.4 CC1=CC=NC(O)=N1 M68180 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [1,0,0,0,0,0|1,0,0]=2 251 B8R1.4 CC1=CN=CC(C)=N1 D69480 [1,0,0,0,0,0|0,0,0]=1 252 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [1,0,0,0,0,0|1,0,0]=2 253 B8R1.4 CC1=CN=CC(N)=C1 A4718 [1,0,0,0,0,0|2,0,0]=3 254 B8R1.4 CC1=CN=CC(N)=N1 M41139 [1,0,0,0,0,0|1,0,0]=2 255 B8R1.4 CC1=CN=CC(O)=N1 M67557 [1,0,0,0,0,0|1,0,0]=2 256 B8R1.4 CC1=NC=CC(Br)=N1 B32286 [1,0,0,0,0,0|3,0,0]=4 257 B8R1.4 CC1=NC=CC(Cl)=N1 C11598 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.4 CC1=NC=CC(N)=N1 M9010 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.4 CC1=NC=CC(O)=N1 M69189 [1,0,0,0,0,0|3,0,0]=4 260 B8R1.4 ClC1=CC(Br)=CN=C1 B5214 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.4 ClC1=CC(I)=CN=C1 C40646 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.4 ClC1=CC=CC(Br)=N1 B4770 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.4 ClC1=CC=CC(Cl)=N1 D69309 [1,0,0,0,0,0|3,0,0]=4 264 B8R1.4 ClC1=CC=CC(I)=N1 C36686 [1,0,0,0,0,0|3,0,0]=4 265 B8R1.4 ClC1=CN=CC(Cl)=C1 D22607 [1,0,0,0,0,0|3,0,0]=4 266 B8R1.4 ClC1=CN=CC(Cl)=N1 D2303 [1,0,0,0,0,0|2,0,0]=3 267 B8R1.4 FC1=CC(Br)=CN=C1 B4562 [1,0,0,0,0,0|3,0,0]=4 268 B8R1.4 FC1=CC(Cl)=CN=C1 C40642 [1,0,0,0,0,0|3,0,0]=4 269 B8R1.4 FC1=CC(I)=CN=C1 F40651 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.4 FC1=CC=CC(Br)=N1 B2593 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.4 FC1=CC=CC(Cl)=N1 C39168 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.4 FC1=CC=CC(F)=N1 D5153 [1,0,0,0,0,0|3,0,0]=4 273 B8R1.4 FC1=CN=CC(F)=C1 D2972 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.4 IC1=CN=CC(I)=C1 D7814 [1,0,0,0,0,0|3,0,0]=4 275 B8R1.4 IC1=CN=CC(I)=N1 D2671 [1,0,0,0,0,0|2,0,0]=3 276 B8R1.4 NC1=CC(Br)=CN=C1 A4523 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.4 NC1=CC(Cl)=CN=C1 C22457 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.4 NC1=CC(F)=CN=C1 F40881 [1,0,0,0,0,0|3,0,0]=4 279 B8R1.4 NC1=CC(O)=CN=C1 A41024 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.4 NC1=CC(O)=CN=C1 A41394 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.4 NC1=CC=CC(Br)=N1 A1106 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.4 NC1=CC=CC(Cl)=N1 A1775 [1,0,0,0,0,0|3,0,0]=4 283 B8R1.4 NC1=CC=CC(F)=N1 A40882 [1,0,0,0,0,0|3,0,0]=4 284 B8R1.4 NC1=CC=CC(I)=N1 K40888 [1,0,0,0,0,0|3,0,0]=4 285 B8R1.4 NC1=CC=CC(N)=N1 P69294 [1,0,0,0,0,0|3,0,0]=4 286 B8R1.4 NC1=CC=CC(O)=N1 A3198 [1,0,0,0,0,0|3,0,0]=4 287 B8R1.4 NC1=CN=CC(Br)=N1 B24169 [1,0,0,0,0,0|2,0,0]=3 288 B8R1.4 NC1=CN=CC(Cl)=N1 A2337 [1,0,0,0,0,0|2,0,0]=3 289 B8R1.4 NC1=CN=CC(N)=C1 P41138 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.4 NC1=CN=CC(N)=N1 P40325 [1,0,0,0,0,0|2,0,0]=3 291 B8R1.4 OC1=CC(Br)=CN=C1 B13207 [1,0,0,0,0,0|3,0,0]=4 292 B8R1.4 OC1=CC(Cl)=CN=C1 C40849 [1,0,0,0,0,0|3,0,0]=4 293 B8R1.4 OC1=CC(F)=CN=C1 F40851 [1,0,0,0,0,0|3,0,0]=4 294 B8R1.4 OC1=CC=CC(F)=N1 F40852 [1,0,0,0,0,0|3,0,0]=4 295 B8R1.4 OC1=CN=CC(Cl)=N1 C40042 [1,0,0,0,0,0|2,0,0]=3 296 B8R1.4 OC1=CN=CC(O)=C1 P28714 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.2 CC1=CC=CC(CBr)=C1C B49965 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.2 CC1=CC=CC(CN)=C1O A49525 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.2 CC1=CC=CC(CO)=C1C D50272 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.2 CC1=CC=CC(CO)=C1N A46912 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.2 CNC1=C(N)C(C)=CC=C1 D46971 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.2 COC1=C(Br)C(C)=CC=C1 B49438 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.2 COC1=C(C)C(C)=CC=C1 M50276 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.2 COC1=C(C)C(N)=CN=C1 M43640 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.2 COC1=C(N)C(C)=CC=C1 M46896 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.2 COC1=C(O)C(C)=CC=C1 M46825 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.2 NC1=C(Br)C=NC=C1CO A43063 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.8 CC1=CC(Br)=CC(CN)=N1 B38998 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.8 CC1=CC(Br)=CC(CO)=N1 B46176 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.8 CC1=CC(C)=CC(CBr)=C1 B49967 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.8 CC1=CC(C)=NC(CCl)=N1 C25169 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.8 CC1=CC(C)=NC(CO)=N1 D24164 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.8 CC1=CC(Cl)=CC(C#N)=N1 C37289 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 C45485 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.8 CCC1=CC(Br)=CC(N)=C1 B69513 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.8 CCC1=CC(C)=CC(O)=C1 E50268 [0,1,0,0,0,0|2,0,0]=3 317 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 C43270 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.8 CCC1=CC(O)=NC(C)=N1 E43643 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.8 CCC1=CC(O)=NC(N)=N1 A43350 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.8 CCC1=NC(Cl)=CC(Cl)=N1 D37576 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.8 CCC1=NC(N)=NC(N)=C1 E41444 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.8 CCC1=NC(O)=CC(O)=N1 E43217 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.8 CNC1=CC(Cl)=CC(Cl)=N1 D42751 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.8 CNC1=CC(Cl)=NC(C)=N1 C43280 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.8 COC1=CC(Br)=CC(Cl)=N1 B37565 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.8 COC1=CC(C)=CC(Br)=C1 B49436 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.8 COC1=CC(C)=CC(C)=C1 M50277 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.8 COC1=CC(C)=CC(Cl)=N1 C38224 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.8 COC1=CC(C)=CC(F)=C1 F49465 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.8 COC1=CC(Cl)=CC(Cl)=N1 D32336 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.8 COC1=CC(Cl)=NC(C)=N1 C32260 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.8 COC1=CC(N)=CC(Br)=N1 B43054 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.8 COC1=CC(N)=CC(C)=C1 M46900 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.8 COC1=CC(N)=CC(Cl)=N1 C36987 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.8 COC1=NC(C)=CC(Br)=C1 B46171 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.8 COC1=NC(C)=CC(C)=N1 M43634 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.8 COC1=NC(C)=CC(Cl)=C1 C37303 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.8 COC1=NC(C)=CC(N)=C1 M43639 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.8 COC1=NC(C)=NC(C)=C1 M43636 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.8 COC1=NC(C)=NC(N)=C1 M61760 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.8 COC1=NC(N)=CC(Br)=C1 B37450 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.8 COC1=NC(N)=CC(C)=N1 M43355 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.8 COC1=NC(N)=CC(Cl)=C1 C32279 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 C8046 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.8 CSC1=NC(C)=CC(Cl)=N1 C6191 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.8 CSC1=NC(N)=CC(C)=N1 M43373 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.8 OCC1=CC(Cl)=CC(Cl)=N1 D38835 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.10 CCNC1=CC=NC(Cl)=N1 C43269 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.10 CCOC1=CC(Cl)=NN=C1 C43067 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.10 CCOC1=NC(C)=CN=C1 E43628 [0,1,0,0,0,0|0,0,0]=1 360 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.10 COCC1=CC=NC(Cl)=N1 C43072 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.10 N#CCC1=CC(Br)=CN=C1 B10466 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.10 N#CCC1=CC(F)=CN=C1 F12036 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.30 C#CC1=C(N)N=CC(Br)=N1 A42148 [0,1,0,0,0,0|1,0,2]=4 381 B10R1.30 CC1=CC(C#N)=C(N)N=C1 A38354 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.30 CC1=CC(CO)=C(Br)C=C1 B63209 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.30 CC1=CC=C(N)C(CO)=N1 A13503 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C65989 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.30 CC1=CN=C(Br)C(C#N)=C1 B44751 [0,1,0,0,0,0|2,0,1]=4 386 B10R1.30 CC1=CN=C(C)C(C#N)=N1 D45730 [0,1,0,0,0,0|1,0,1]=3 387 B10R1.30 CC1=CN=C(F)C(C#N)=C1 F44798 [0,1,0,0,0,0|2,0,1]=4 388 B10R1.30 CC1=NC(C#N)=C(Br)C=C1 B0632 [0,1,0,0,0,0|2,0,1]=4 389 B10R1.30 CC1=NC(C#N)=C(Cl)C=C1 C44779 [0,1,0,0,0,0|2,0,1]=4 390 B10R1.30 CC1=NC(C=O)=C(Br)C=C1 B63911 [0,1,0,0,0,0|2,0,1]=4 391 B10R1.30 CC1=NC(CO)=C(Br)C=C1 B63914 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.30 CC1=NC(CO)=C(O)C=C1 H46408 [0,1,0,0,0,0|2,0,0]=3 393 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.30 CCC1=C(F)C=CC(Br)=C1 B48764 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.30 CCC1=C(F)C=NC(Cl)=N1 C61749 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.30 CCC1=C(N)C=CC(Br)=C1 B66403 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.30 CCC1=C(N)C=CC(Cl)=C1 C46752 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.30 CNC1=C(N)C=CC(C)=C1 D46972 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [0,1,0,0,0,0|2,0,0]=3 401 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 B42644 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.30 COC1=C(Br)C=CC(N)=N1 B17534 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.30 COC1=C(Cl)N=CC(Br)=N1 B9928 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.30 COC1=C(F)C=CC(Cl)=N1 C32280 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.30 COC1=C(N)C=CC(Br)=N1 B3763 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.30 COC1=C(N)N=CC(Br)=N1 B9924 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.30 COC1=C(N)N=CC(Cl)=N1 C63041 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.30 COC1=CC(Br)=CN=C1C B16799 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.30 COC1=CC(Br)=CN=C1Cl B9982 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.30 COC1=CC(Br)=CN=C1N B23636 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.30 COC1=CC(F)=CN=C1N F43083 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.30 COC1=CC(N)=CN=C1Br B37681 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.30 COC1=CC(N)=CN=C1Cl C25246 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.30 COC1=CC(O)=CN=C1Cl C12083 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.30 COC1=NC(Br)=CN=C1Br D9925 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.30 COC1=NC(Br)=CN=C1I B9892 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.30 COC1=NC(Br)=CNC1=O B9927 [0,1,0,0,0,0|2,0,1]=4 423 B10R1.30 COC1=NC(C)=CC=C1N A67537 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.30 COC1=NC(C)=CN=C1N M26266 [0,1,0,0,0,0|1,0,0]=2 425 B10R1.30 COC1=NC(C)=NC=C1N M43356 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.30 COC1=NC(N)=CN=C1Br B41091 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.30 ClCC1=CC(Cl)=CN=C1Br B42200 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.30 N#CC1=C(N)N=CC(Br)=N1 A40618 [0,1,0,0,0,0|2,0,1]=4 429 B10R1.30 N#CC1=C(N)N=CC(Cl)=N1 A40625 [0,1,0,0,0,0|2,0,1]=4 430 B10R1.30 N#CC1=NC(Br)=CN=C1Br D14606 [0,1,0,0,0,0|2,0,1]=4 431 B10R1.30 N#CC1=NC(Cl)=CN=C1Cl D41288 [0,1,0,0,0,0|2,0,1]=4 432 B10R1.30 N#CC1=NC(F)=CN=C1F D60504 [0,1,0,0,0,0|2,0,1]=4 433 B10R1.30 NC1=C(C=O)N=C(Br)C=N1 A40807 [0,1,0,0,0,0|2,0,1]=4 434 B10R1.30 NC1=C(C=O)N=C(Cl)C=N1 A40810 [0,1,0,0,0,0|2,0,1]=4 435 B10R1.30 NC1=C(CO)N=C(Br)C=N1 A37107 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.30 NC1=NC=C(Br)C=C1CO A43065 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.30 NC1=NC=C(I)C=C1CO A68723 [0,1,0,0,0,0|3,0,0]=4 438 B10R1.30 NCC1=C(Br)C=CC(Cl)=N1 B42733 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.30 NCC1=CC(Br)=CN=C1F A12901 [0,1,0,0,0,0|3,0,0]=4 440 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl D13384 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 C42671 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.30 OCC1=CC(Br)=CN=C1Cl B12727 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.30 OCC1=CC(Br)=CN=C1F B12899 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.30 OCC1=CC(Cl)=CN=C1Br B42649 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 B48877 [0,1,0,0,0,0|2,0,1]=4 446 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,1,0,0,0,0|2,0,1]=4 447 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,1,0,0,0,0|2,0,1]=4 448 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,1,0,0,0,0|2,0,1]=4 449 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,1,0,0,0,0|2,0,1]=4 450 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,1,0,0,0,0|2,0,1]=4 452 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,1,0,0,0,0|1,0,1]=3 453 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,0,0|1,0,1]=3 454 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,1,0,0,0,0|2,0,1]=4 455 B10R1.113 CC(C)C1=CC(Br)=CN=C1 B32128 [0,1,0,0,0,0|2,0,0]=3 456 B10R1.113 CC(C)C1=CC=CC(Br)=C1 B49962 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [0,1,0,0,0,0|2,0,0]=3 458 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [0,1,0,0,0,0|2,0,0]=3 459 B10R1.113 CC(C)C1=CC=CC(N)=C1 P50307 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.113 CC(C)C1=CC=CC([Mg+])=C1 P31758 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.113 CC(C)C1=CN=CC(N)=C1 I32297 [0,1,0,0,0,0|2,0,0]=3 462 B10R1.113 CC1=CC(B(O)O)=CN=C1 M5113 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,1,0,0,0,0|2,0,1]=4 465 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,1,0,0,0,0|2,0,0]=3 467 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,1,0,0,0,0|2,0,0]=3 468 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,1,0,0,0,0|2,0,0]=3 469 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 M42773 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,1,0,0,0,0|1,0,1]=3 471 B10R1.113 CC1=CN=CC(C(N)=O)=N1 M43097 [0,1,0,0,0,0|1,0,1]=3 472 B10R1.113 CN(C)C1=CN=CC(Cl)=N1 C43273 [0,1,0,0,0,0|2,0,0]=3 473 B10R1.113 CN(C)C1=CN=CC(I)=N1 D2672 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 B46734 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [0,1,0,0,0,0|2,0,0]=3 476 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F46765 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F49508 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [0,1,0,0,0,0|2,0,0]=3 479 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A49524 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 F46567 [0,1,0,0,0,0|2,0,0]=3 482 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46739 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46743 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B64158 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [0,1,0,0,0,0|2,0,0]=3 486 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F46761 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F49511 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [0,1,0,0,0,0|2,0,0]=3 489 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 A46961 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64155 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64991 [0,1,0,0,0,0|3,0,0]=4 492 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [0,1,0,0,0,0|3,0,0]=4 494 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [0,1,0,0,0,0|2,0,0]=3 495 B10R1.113 FC(F)C1=CC=CC(Br)=N1 B38710 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 C40809 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.113 NC1=CC=CC(C(F)F)=N1 D42769 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.113 NC1=CN=CC(C(=O)O)=N1 A40967 [0,1,0,0,0,0|2,0,1]=4 499 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 B32134 [0,1,0,0,0,0|2,0,1]=4 500 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C0341 [0,1,0,0,0,0|2,0,1]=4 501 B10R1.172 BrCC1=CC=CC(CBr)=C1 B48751 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.172 CCC1=CC=CC(C#N)=C1 E38775 [0,1,0,0,0,0|2,0,1]=4 503 B10R1.172 CCC1=CC=CC(C#N)=N1 E13406 [0,1,0,0,0,0|1,0,1]=3 504 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [0,1,0,0,0,0|2,0,1]=4 505 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [0,1,0,0,0,0|1,0,1]=3 506 B10R1.172 CCC1=CC=CC(CC)=N1 D50308 [0,1,0,0,0,0|1,0,0]=2 507 B10R1.172 CCC1=CC=CC(CO)=N1 E46907 [0,1,0,0,0,0|1,0,0]=2 508 B10R1.172 CCC1=CC=CC(NC)=N1 E46969 [0,1,0,0,0,0|1,0,0]=2 509 B10R1.172 CNC1=CC=CC(OC)=N1 M43638 [0,1,0,0,0,0|2,0,0]=3 510 B10R1.172 CNC1=NC=CC(CO)=N1 M63073 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [0,1,0,0,0,0|3,0,0]=4 513 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [0,1,0,0,0,0|3,0,0]=4 514 B10R1.172 COC1=CC(OC)=NN=C1 D43215 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [0,1,0,0,0,0|2,0,1]=4 516 B10R1.172 COC1=CC=CC(CBr)=N1 B46166 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [0,1,0,0,0,0|3,0,0]=4 518 B10R1.172 COC1=CC=CC(CCl)=N1 C46206 [0,1,0,0,0,0|2,0,0]=3 519 B10R1.172 COC1=CC=CC(OC)=N1 D39418 [0,1,0,0,0,0|2,0,0]=3 520 B10R1.172 COC1=CC=NC(OC)=N1 D68887 [0,1,0,0,0,0|3,0,0]=4 521 B10R1.172 COC1=CN=CC(C#N)=C1 M45213 [0,1,0,0,0,0|2,0,1]=4 522 B10R1.172 COC1=CN=CC(CN)=C1 M11309 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [0,1,0,0,0,0|2,0,0]=3 524 B10R1.172 COC1=CN=CC(OC)=C1 D28467 [0,1,0,0,0,0|2,0,0]=3 525 B10R1.172 COC1=CN=CC(OC)=N1 D4873 [0,1,0,0,0,0|1,0,0]=2 526 B10R1.172 COC1=NC(C#N)=CC=C1 M9383 [0,1,0,0,0,0|2,0,1]=4 527 B10R1.172 COC1=NC(CN)=CC=C1 M46592 [0,1,0,0,0,0|2,0,0]=3 528 B10R1.172 COC1=NC(CN)=CC=N1 M43577 [0,1,0,0,0,0|3,0,0]=4 529 B10R1.172 COC1=NC(CN)=NC=C1 M27520 [0,1,0,0,0,0|3,0,0]=4 530 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.172 COC1=NC(CO)=CC=N1 H11374 [0,1,0,0,0,0|3,0,0]=4 532 B10R1.172 CSC1=CC=NC(SC)=N1 B43264 [0,1,0,0,0,0|3,0,0]=4 533 B10R1.172 CSC1=NC(CN)=CC=N1 M43374 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.172 CSC1=NC(CO)=CC=N1 M32432 [0,1,0,0,0,0|3,0,0]=4 535 B10R1.172 ClCC1=CC=CC(CCl)=C1 B48773 [0,1,0,0,0,0|3,0,0]=4 536 B10R1.172 N#CC1=CC(CBr)=CN=C1 B44746 [0,1,0,0,0,0|2,0,1]=4 537 B10R1.172 N#CC1=CC(CCl)=CN=C1 C32023 [0,1,0,0,0,0|2,0,1]=4 538 B10R1.172 N#CC1=CC(CCl)=CN=C1 C38335 [0,1,0,0,0,0|2,0,1]=4 539 B10R1.172 N#CC1=CC(CO)=CN=C1 H37587 [0,1,0,0,0,0|2,0,1]=4 540 B10R1.172 N#CC1=CC=CC(CBr)=N1 B44749 [0,1,0,0,0,0|2,0,1]=4 541 B10R1.172 N#CC1=CC=CC(CCl)=N1 C44781 [0,1,0,0,0,0|2,0,1]=4 542 B10R1.172 N#CC1=CC=CC(CO)=N1 H63393 [0,1,0,0,0,0|2,0,1]=4 543 B10R1.172 N#CC1=CN=CC(CN)=C1 A32262 [0,1,0,0,0,0|2,0,1]=4 544 B10R1.172 NCC1=CC=CC(CO)=C1 A46908 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.172 NCC1=CC=CC(CO)=N1 A46595 [0,1,0,0,0,0|2,0,0]=3 546 B10R1.172 O=CC1=CC=CC(CF)=N1 F45495 [0,1,0,0,0,0|2,0,1]=4 547 B10R1.172 OCC1=CC=CC(CCl)=C1 C49450 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.176 CC1=C(Br)C=CC(C#N)=N1 B44756 [0,1,0,0,0,0|2,0,1]=4 549 B10R1.176 CC1=C(Br)C=CC(C=O)=N1 B19216 [0,1,0,0,0,0|2,0,1]=4 550 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 B48757 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [0,1,0,0,0,0|3,0,0]=4 552 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [0,1,0,0,0,0|3,0,0]=4 553 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [0,1,0,0,0,0|3,0,0]=4 554 B10R1.176 CC1=C(F)C=C(CO)C=N1 F46223 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.176 CC1=C(F)C=CC(C=O)=N1 F26082 [0,1,0,0,0,0|2,0,1]=4 556 B10R1.176 CC1=C(F)C=CC(CCl)=N1 C19366 [0,1,0,0,0,0|2,0,0]=3 557 B10R1.176 CC1=C(F)C=CC(CN)=C1 F46767 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.176 CC1=C(N)C=CC(C#N)=N1 A16433 [0,1,0,0,0,0|2,0,1]=4 559 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.176 CC1=CC(C#N)=CN=C1Br B44735 [0,1,0,0,0,0|2,0,1]=4 561 B10R1.176 CC1=CC(C#N)=CN=C1C D48779 [0,1,0,0,0,0|2,0,1]=4 562 B10R1.176 CC1=CC(C#N)=CN=C1Cl C44768 [0,1,0,0,0,0|2,0,1]=4 563 B10R1.176 CC1=CC(C#N)=CN=C1F C4733 [0,1,0,0,0,0|2,0,1]=4 564 B10R1.176 CC1=CC(C#N)=CN=C1N A3637 [0,1,0,0,0,0|2,0,1]=4 565 B10R1.176 CC1=CC(C=O)=CN=C1Br B45476 [0,1,0,0,0,0|2,0,1]=4 566 B10R1.176 CCC1=CC(Br)=C(O)C=C1 B49424 [0,1,0,0,0,0|3,0,0]=4 567 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [0,1,0,0,0,0|2,0,0]=3 568 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [0,1,0,0,0,0|2,0,0]=3 569 B10R1.176 CCC1=CC(F)=C(N)C=C1 E46758 [0,1,0,0,0,0|3,0,0]=4 570 B10R1.176 CCC1=CC(N)=C(N)C=C1 E49664 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [0,1,0,0,0,0|3,0,0]=4 572 B10R1.176 CCC1=NC(C)=C(C)N=C1 E46963 [0,1,0,0,0,0|0,0,0]=1 573 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 B45765 [0,1,0,0,0,0|2,0,0]=3 574 B10R1.176 COC1=CC(Br)=C(C)N=C1 B13456 [0,1,0,0,0,0|3,0,0]=4 575 B10R1.176 COC1=CC(C)=C(Br)C=C1 B49437 [0,1,0,0,0,0|3,0,0]=4 576 B10R1.176 COC1=CC(C)=C(F)C=C1 F49456 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.176 COC1=CC(C)=C([Mg+])C=C1 M31768 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.176 COC1=CC(F)=C(N)N=C1 F43081 [0,1,0,0,0,0|3,0,0]=4 580 B10R1.176 COC1=CC=C(Br)C(Br)=N1 D42629 [0,1,0,0,0,0|3,0,0]=4 581 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 D42661 [0,1,0,0,0,0|3,0,0]=4 582 B10R1.176 COC1=CC=C(N)C(Br)=N1 A43056 [0,1,0,0,0,0|3,0,0]=4 583 B10R1.176 COC1=CC=C(N)C(Cl)=N1 A3832 [0,1,0,0,0,0|3,0,0]=4 584 B10R1.176 COC1=CN=C(Br)C(C)=N1 B43057 [0,1,0,0,0,0|1,0,0]=2 585 B10R1.176 COC1=CN=C(Br)C(N)=C1 B43053 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C46201 [0,1,0,0,0,0|2,0,0]=3 587 B10R1.176 COC1=CN=C(Cl)C(N)=C1 C25045 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.176 COC1=CN=C(Cl)C(N)=N1 C18840 [0,1,0,0,0,0|2,0,0]=3 589 B10R1.176 COC1=NC(C)=C(Br)C=C1 B46158 [0,1,0,0,0,0|2,0,0]=3 590 B10R1.176 COC1=NC(C)=C(Br)C=N1 B43061 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.176 COC1=NC(C)=C(F)C=C1 F46212 [0,1,0,0,0,0|2,0,0]=3 592 B10R1.176 COC1=NC(C)=C(N)C=C1 M46590 [0,1,0,0,0,0|2,0,0]=3 593 B10R1.176 COC1=NC(C)=C(N)C=C1 M69566 [0,1,0,0,0,0|2,0,0]=3 594 B10R1.176 COC1=NC(C)=C(N)C=N1 M39115 [0,1,0,0,0,0|3,0,0]=4 595 B10R1.176 COC1=NC(C)=C(N)N=C1 M43352 [0,1,0,0,0,0|1,0,0]=2 596 B10R1.176 COC1=NC(Cl)=C(Br)C=C1 B42643 [0,1,0,0,0,0|3,0,0]=4 597 B10R1.176 COC1=NC(N)=C(Br)C=C1 B38888 [0,1,0,0,0,0|3,0,0]=4 598 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 P11188 [0,1,0,0,0,0|2,0,0]=3 599 B10R1.176 CSC1=NC(C)=C(Br)C=N1 B42984 [0,1,0,0,0,0|3,0,0]=4 600 B10R1.176 ClC1=C(I)C=C(CBr)C=N1 B42208 [0,1,0,0,0,0|3,0,0]=4 601 B10R1.176 FC1=C(Br)C=C(CCl)C=N1 B42205 [0,1,0,0,0,0|3,0,0]=4 602 B10R1.176 NC1=C(Br)C=C(CO)C=N1 A43064 [0,1,0,0,0,0|3,0,0]=4 603 B10R1.176 NCC1=NC(Cl)=C(Br)C=C1 B36820 [0,1,0,0,0,0|3,0,0]=4 604 B10R1.176 OCC1=CC(I)=C(Cl)N=C1 C42675 [0,1,0,0,0,0|3,0,0]=4 605 B10R1.176 OCC1=CN=C(Cl)C(Cl)=C1 D9504 [0,1,0,0,0,0|3,0,0]=4 606 B10R2.31 BrC1=CC2=C(C=C1)CC2 B48297 [0,0,0,1,0,0|3,0,0]=4 607 B8R1.1 C#CC1=NC(C)=CS1 E42681 [0,0,0,0,1,0|1,0,2]=4 608 B8R1.1 CC1=CC(CN)=NO1 M15781 [0,0,0,0,1,0|3,0,0]=4 609 B8R1.1 CC1=CC=C(C#N)N1 M32172 [0,0,0,0,1,0|1,0,2]=4 610 B8R1.1 CC1=CC=C(C#N)S1 M12843 [0,0,0,0,1,0|2,0,1]=4 611 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,0,0,0,1,0|1,0,2]=4 612 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,0,0,0,1,0|2,0,1]=4 613 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,0,0,0,1,0|2,0,0]=3 614 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,0,0,0,1,0|2,0,0]=3 615 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,0,0,0,1,0|2,0,1]=4 616 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,0,0,0,1,0|2,0,0]=3 617 B8R1.1 CC1=CNC(C#N)=N1 M40951 [0,0,0,0,1,0|1,0,2]=4 618 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,0,0,0,1,0|2,0,1]=4 619 B8R1.1 CC1=CSC(C#N)=N1 M8139 [0,0,0,0,1,0|2,0,1]=4 620 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,0,0,0,1,0|2,0,1]=4 621 B8R1.1 CC1=CSC(CN)=N1 M64512 [0,0,0,0,1,0|2,0,0]=3 622 B8R1.1 CC1=NC(C=O)=CO1 M3278 [0,0,0,0,1,0|2,0,1]=4 623 B8R1.1 CC1=NC(C=O)=CS1 F2075 [0,0,0,0,1,0|2,0,1]=4 624 B8R1.1 CC1=NC(C=O)=NO1 M32392 [0,0,0,0,1,0|2,0,1]=4 625 B8R1.1 CC1=NC(CCl)=NO1 C40128 [0,0,0,0,1,0|2,0,0]=3 626 B8R1.1 CC1=NC(CN)=CO1 M41196 [0,0,0,0,1,0|2,0,0]=3 627 B8R1.1 CC1=NC(CN)=CO1 M41310 [0,0,0,0,1,0|2,0,0]=3 628 B8R1.1 CC1=NC=C(C=O)S1 F2897 [0,0,0,0,1,0|2,0,1]=4 629 B8R1.1 CC1=NC=C(CBr)S1 B41111 [0,0,0,0,1,0|2,0,0]=3 630 B8R1.1 CC1=NC=C(CN)O1 M41197 [0,0,0,0,1,0|2,0,0]=3 631 B8R1.1 CC1=NC=C(CO)O1 M37561 [0,0,0,0,1,0|2,0,0]=3 632 B8R1.1 CC1=NC=C(CO)S1 M1967 [0,0,0,0,1,0|2,0,0]=3 633 B8R1.1 CC1=NN=C(CCl)S1 M66901 [0,0,0,0,1,0|3,0,0]=4 634 B8R1.1 CC1=NOC(C=O)=N1 M36862 [0,0,0,0,1,0|2,0,1]=4 635 B8R1.1 CC1=NOC(CN)=C1 M41364 [0,0,0,0,1,0|3,0,0]=4 636 B8R1.1 CCC1=CC(N)=NO1 E41190 [0,0,0,0,1,0|3,0,0]=4 637 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,0,0,0,1,0|1,0,0]=2 638 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,0,0,0,1,0|0,0,1]=2 639 B8R1.1 CCC1=CN=C(N)S1 E41203 [0,0,0,0,1,0|2,0,0]=3 640 B8R1.1 CCC1=CN=C(N)S1 E69753 [0,0,0,0,1,0|2,0,0]=3 641 B8R1.1 CCC1=NC(C)=CS1 E43395 [0,0,0,0,1,0|1,0,0]=2 642 B8R1.1 CCC1=NN=C(N)O1 A12274 [0,0,0,0,1,0|3,0,0]=4 643 B8R1.1 CCC1=NNC(N)=C1 A9777 [0,0,0,0,1,0|3,0,0]=4 644 B8R1.1 CCC1=NOC(N)=C1 E41189 [0,0,0,0,1,0|3,0,0]=4 645 B8R1.1 CCN1C=C(Br)C=N1 B9823 [0,0,0,0,1,0|3,0,0]=4 646 B8R1.1 CCN1C=C(N)C=N1 A12746 [0,0,0,0,1,0|3,0,0]=4 647 B8R1.1 CC[N+]1=CN(C)C=C1 E38121 [0,0,0,0,1,0|3,0,0]=4 648 B8R1.1 CC[N+]1=CN(C)C=C1 E41405 [0,0,0,0,1,0|3,0,0]=4 649 B8R1.1 CC[N+]1=CN(C)C=C1 E43585 [0,0,0,0,1,0|3,0,0]=4 650 B8R1.1 CC[N+]1=CN(C)C=C1 E46615 [0,0,0,0,1,0|3,0,0]=4 651 B8R1.1 CN1C=C(CBr)C=N1 B27149 [0,0,0,0,1,0|3,0,0]=4 652 B8R1.1 CN1C=C(CN)C=N1 M16591 [0,0,0,0,1,0|3,0,0]=4 653 B8R1.1 CN1C=C(CN)C=N1 M17032 [0,0,0,0,1,0|3,0,0]=4 654 B8R1.1 CN1C=C(CN)C=N1 M9443 [0,0,0,0,1,0|3,0,0]=4 655 B8R1.1 CN1C=C(CO)C=N1 M10343 [0,0,0,0,1,0|3,0,0]=4 656 B8R1.1 CN1C=CC(C#N)=N1 M12751 [0,0,0,0,1,0|2,0,1]=4 657 B8R1.1 CN1C=CC(C=O)=N1 M22764 [0,0,0,0,1,0|2,0,1]=4 658 B8R1.1 CN1C=CC(CCl)=N1 C25609 [0,0,0,0,1,0|2,0,0]=3 659 B8R1.1 CN1C=CC(CN)=N1 M9952 [0,0,0,0,1,0|2,0,0]=3 660 B8R1.1 CN1C=CC(CO)=N1 M9953 [0,0,0,0,1,0|2,0,0]=3 661 B8R1.1 CN1C=NC(CCl)=C1 C21803 [0,0,0,0,1,0|3,0,0]=4 662 B8R1.1 CN1C=NC(CCl)=N1 C40197 [0,0,0,0,1,0|2,0,0]=3 663 B8R1.1 CN1C=NC(CN)=C1 A11226 [0,0,0,0,1,0|3,0,0]=4 664 B8R1.1 CN1C=NC(CN)=C1 A11227 [0,0,0,0,1,0|3,0,0]=4 665 B8R1.1 CN1C=NC(CN)=C1 A29740 [0,0,0,0,1,0|3,0,0]=4 666 B8R1.1 CN1C=NC(CN)=N1 A14790 [0,0,0,0,1,0|2,0,0]=3 667 B8R1.1 CN1C=NC(CN)=N1 M29766 [0,0,0,0,1,0|2,0,0]=3 668 B8R1.1 CN1C=NC(CO)=C1 M12982 [0,0,0,0,1,0|3,0,0]=4 669 B8R1.1 CN1C=NC(CO)=N1 M14789 [0,0,0,0,1,0|2,0,0]=3 670 B8R1.1 CNC1=CN(C)N=C1 D41402 [0,0,0,0,1,0|3,0,0]=4 671 B8R1.1 COC1=NC(Br)=CS1 B2259 [0,0,0,0,1,0|3,0,0]=4 672 B8R1.1 COC1=NC=C(Br)S1 B2563 [0,0,0,0,1,0|3,0,0]=4 673 B8R1.1 CSC1=CN=C(N)S1 M40191 [0,0,0,0,1,0|3,0,0]=4 674 B8R1.1 CSC1=NC(Br)=CS1 T2262 [0,0,0,0,1,0|3,0,0]=4 675 B8R1.1 CSC1=NC(N)=NN1 M62161 [0,0,0,0,1,0|3,0,0]=4 676 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [0,0,0,0,1,0|3,0,0]=4 677 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [0,0,0,0,1,0|3,0,0]=4 678 B8R1.1 ClCC1=CSC(Cl)=N1 C2721 [0,0,0,0,1,0|3,0,0]=4 679 B8R1.1 NC1=NC(CCl)=CS1 A2564 [0,0,0,0,1,0|3,0,0]=4 680 B8R1.1 NC1=NC(CO)=CS1 A40186 [0,0,0,0,1,0|3,0,0]=4 681 B8R1.1 NC1=NC=C(CO)S1 A40187 [0,0,0,0,1,0|3,0,0]=4 682 B8R1.1 NCC1=CC=C(Br)S1 A12757 [0,0,0,0,1,0|3,0,0]=4 683 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [0,0,0,0,1,0|3,0,0]=4 684 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [0,0,0,0,1,0|3,0,0]=4 685 B8R1.1 NCC1=CC=C(F)S1 F8124 [0,0,0,0,1,0|3,0,0]=4 686 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [0,0,0,0,1,0|3,0,0]=4 687 B8R1.1 NCC1=NC=C(Br)S1 B10574 [0,0,0,0,1,0|3,0,0]=4 688 B8R1.1 NCC1=NC=C(Br)S1 B13057 [0,0,0,0,1,0|3,0,0]=4 689 B8R1.1 NCC1=NC=C(Cl)S1 C13932 [0,0,0,0,1,0|3,0,0]=4 690 B8R1.1 OCC1=CC=C(Br)S1 B12756 [0,0,0,0,1,0|3,0,0]=4 691 B8R1.1 OCC1=CC=C(Br)S1 B41016 [0,0,0,0,1,0|3,0,0]=4 692 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [0,0,0,0,1,0|3,0,0]=4 693 B8R1.1 OCC1=CC=C(F)S1 F8123 [0,0,0,0,1,0|3,0,0]=4 694 B8R1.1 OCC1=CN=C(Br)S1 B2127 [0,0,0,0,1,0|3,0,0]=4 695 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [0,0,0,0,1,0|3,0,0]=4 696 B8R1.1 OCC1=COC(Br)=N1 B3572 [0,0,0,0,1,0|3,0,0]=4 697 B8R1.1 OCC1=CSC(Br)=N1 B2126 [0,0,0,0,1,0|3,0,0]=4 698 B8R1.1 OCC1=CSC(Cl)=N1 C2782 [0,0,0,0,1,0|3,0,0]=4 699 B8R1.1 OCC1=NC(Br)=CN1 B32450 [0,0,0,0,1,0|2,0,1]=4 700 B8R1.1 OCC1=NC(Br)=CS1 B10817 [0,0,0,0,1,0|3,0,0]=4 701 B8R1.1 OCC1=NC=C(Br)S1 B10575 [0,0,0,0,1,0|3,0,0]=4 702 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [0,0,0,0,1,0|3,0,0]=4 703 B8R1.11 CC1=CNN=C1CO M63844 [0,0,0,0,1,0|2,0,1]=4 704 B8R1.11 CC1=CSC=C1C=O M29934 [0,0,0,0,1,0|2,0,1]=4 705 B8R1.11 CCC1=NC=CN1C E46632 [0,0,0,0,1,0|3,0,0]=4 706 B8R1.11 CCN1C=CN=C1C E63017 [0,0,0,0,1,0|3,0,0]=4 707 B8R1.11 CN1C=CC=C1CN M41429 [0,0,0,0,1,0|3,0,0]=4 708 B8R1.11 CN1C=NC=C1C#N M11288 [0,0,0,0,1,0|2,0,1]=4 709 B8R1.11 CN1C=NC=C1CN M1713 [0,0,0,0,1,0|2,0,0]=3 710 B8R1.11 CN1C=NC=C1CO H14300 [0,0,0,0,1,0|2,0,0]=3 711 B8R1.11 CN1C=NN=C1CO M40222 [0,0,0,0,1,0|3,0,0]=4 712 B8R1.11 CSC1=C(C)OC=C1 M43319 [0,0,0,0,1,0|3,0,0]=4 713 B7R1.3 BrC1=CN=CC=C1 B2746 [2,0,0,0,0,0|2,0,0]=4 714 B7R1.3 BrC1=NC=CN=C1 B40020 [2,0,0,0,0,0|1,0,0]=3 715 B7R1.3 CC1=CC=CN=N1 M0216 [2,0,0,0,0,0|2,0,0]=4 716 B7R1.3 CC1=CN=CN=C1 M41018 [2,0,0,0,0,0|2,0,0]=4 717 B7R1.3 CC1=CN=NC=C1 M3532 [2,0,0,0,0,0|2,0,0]=4 718 B7R1.3 CC1=NC=CC=N1 M68916 [2,0,0,0,0,0|2,0,0]=4 719 B7R1.3 CC1=NC=CN=C1 M61917 [2,0,0,0,0,0|0,0,0]=2 720 B7R1.3 CC1=NC=CN=N1 M36785 [2,0,0,0,0,0|1,0,0]=3 721 B7R1.3 CC1=NC=NC=C1 M7491 [2,0,0,0,0,0|2,0,0]=4 722 B7R1.3 ClC1=CN=CC=C1 C68367 [2,0,0,0,0,0|2,0,0]=4 723 B7R1.3 ClC1=NC=CN=C1 C5165 [2,0,0,0,0,0|1,0,0]=3 724 B7R1.3 FC1=CN=CC=C1 F1892 [2,0,0,0,0,0|2,0,0]=4 725 B7R1.3 FC1=NC=CC=C1 F4862 [2,0,0,0,0,0|2,0,0]=4 726 B7R1.3 FC1=NC=CN=C1 F40023 [2,0,0,0,0,0|1,0,0]=3 727 B7R1.3 IC1=CN=CC=C1 I16635 [2,0,0,0,0,0|2,0,0]=4 728 B7R1.3 IC1=NC=CC=C1 K67594 [2,0,0,0,0,0|2,0,0]=4 729 B7R1.3 IC1=NC=CN=C1 I2669 [2,0,0,0,0,0|1,0,0]=3 730 B7R1.3 NC1=NC=CC=C1 A23973 [2,0,0,0,0,0|2,0,0]=4 731 B7R1.3 NC1=NC=CN=C1 A15535 [2,0,0,0,0,0|1,0,0]=3 732 B7R1.3 NC1=NC=CN=N1 T67661 [2,0,0,0,0,0|2,0,0]=4 733 B7R1.3 O=C1C=NC=CN1 H68630 [2,0,0,0,0,0|1,0,1]=4 734 B7R1.3 OC1=NC=CC=C1 P61113 [2,0,0,0,0,0|2,0,0]=4 735 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [2,0,0,0,0,0|2,0,0]=4 736 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [2,0,0,0,0,0|2,0,0]=4 737 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.1 CC1=CN=C(C#N)C=N1 M42468 [1,1,0,0,0,0|1,0,1]=4 739 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [1,1,0,0,0,0|1,0,1]=4 740 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [1,1,0,0,0,0|1,0,0]=3 742 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [1,1,0,0,0,0|1,0,0]=3 743 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [1,1,0,0,0,0|1,0,0]=3 746 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [1,1,0,0,0,0|1,0,0]=3 747 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,1,0,0,0,0|1,0,0]=3 756 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,1,0,0,0,0|1,0,0]=3 762 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,1,0,0,0,0|1,0,0]=3 763 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [1,1,0,0,0,0|1,0,0]=3 772 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [1,1,0,0,0,0|1,0,0]=3 774 B9R1.1 COC1=CN=C(F)C=C1 F42925 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.1 COC1=CN=C(I)C=C1 I5931 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.1 COC1=CN=C(N)C=C1 A10497 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.1 COC1=NC=C(F)C=C1 F24011 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.1 COC1=NC=C(I)C=C1 K42935 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.1 COC1=NC=C(N)C=C1 A12692 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.1 COC1=NC=C(N)N=C1 M9733 [1,1,0,0,0,0|1,0,0]=3 784 B9R1.1 COC1=NC=C(O)C=C1 H43140 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.1 CSC1=CN=C(Br)C=N1 B40873 [1,1,0,0,0,0|1,0,0]=3 786 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [1,1,0,0,0,0|1,0,0]=3 792 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.1 N#CC1=CN=C(Br)C=N1 B3579 [1,1,0,0,0,0|1,0,1]=4 800 B9R1.1 N#CC1=CN=C(Cl)C=N1 C4890 [1,1,0,0,0,0|1,0,1]=4 801 B9R1.1 N#CC1=NC=C(N)N=C1 A3818 [1,1,0,0,0,0|1,0,1]=4 802 B9R1.1 NC1=CN=C(C=O)C=N1 A63812 [1,1,0,0,0,0|1,0,1]=4 803 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.1 NNC1=CN=C(Cl)C=N1 C14613 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.1 O=CC1=CN=C(Cl)C=N1 C12389 [1,1,0,0,0,0|1,0,1]=4 815 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [1,1,0,0,0,0|1,0,0]=3 818 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [1,1,0,0,0,0|0,0,1]=3 823 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,1,0,0,0,0|1,0,0]=3 824 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,1,0,0,0,0|1,0,0]=3 826 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [1,1,0,0,0,0|0,0,0]=2 833 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,1,0,0,0,0|1,0,0]=3 836 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,1,0,0,0,0|1,0,0]=3 837 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,1,0,0,0,0|1,0,0]=3 838 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,1,0,0,0,0|1,0,0]=3 842 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,1,0,0,0,0|1,0,0]=3 843 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,1,0,0,0,0|0,0,0]=2 845 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,1,0,0,0,0|1,0,0]=3 848 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [1,1,0,0,0,0|0,0,0]=2 849 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.6 N=C(N)C1=NC=CN=C1 P60819 [1,1,0,0,0,0|1,0,1]=4 851 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [1,1,0,0,0,0|1,0,1]=4 852 B9R1.6 OB(O)C1=NC=CN=C1 P36936 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,1,0,0,0,0|1,0,0]=3 854 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,1,0,0,0,0|0,0,0]=2 855 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,1,0,0,0,0|0,0,0]=2 856 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,1,0,0,0,0|1,0,0]=3 857 B9R1.8 CNCC1=CN=CN=C1 N11436 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.8 CNCC1=CN=NC=C1 M12238 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.8 CNCC1=CN=NC=C1 M27035 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.8 CNCC1=NC=CC=N1 M14362 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.8 CNCC1=NC=CC=N1 M31227 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,1,0,0,0,0|0,0,0]=2 863 B9R1.8 COCC1=NC=CC=C1 M46377 [1,1,0,0,0,0|1,0,0]=3 864 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,1,0,0,0,0|1,0,1]=4 865 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,1,0,0,0,0|1,0,1]=4 866 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,1,0,0,0,0|1,0,0]=3 867 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,1,0,0,0,0|1,0,0]=3 868 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.8 NNCC1=NC=CN=C1 H7534 [1,1,0,0,0,0|1,0,0]=3 874 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,1,0,0,0,0|1,0,0]=3 875 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,1,0,0,0,0|0,0,0]=2 876 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.8 [N-]=[N+]=NC1=NC=CN=C1 A31883 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.15 C#CC1=NC=CN=C1Cl C63547 [1,1,0,0,0,0|0,0,2]=4 880 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.15 CC1=CC=CN=C1CN M46460 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.15 CC1=CC=CN=C1CO H46388 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.15 CC1=NC=CN=C1C=O M14617 [1,1,0,0,0,0|1,0,1]=4 892 B9R1.15 CC1=NC=CN=C1CCl C14615 [1,1,0,0,0,0|1,0,0]=3 893 B9R1.15 CC1=NC=CN=C1CN A11549 [1,1,0,0,0,0|1,0,0]=3 894 B9R1.15 CC1=NC=CN=C1CO H14616 [1,1,0,0,0,0|1,0,0]=3 895 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,1,0,0,0,0|1,0,0]=3 897 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [1,1,0,0,0,0|1,0,0]=3 898 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [1,1,0,0,0,0|1,0,0]=3 899 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.15 CCC1=CN=CN=C1Cl C42985 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.15 CCC1=NC=CN=C1C E43603 [1,1,0,0,0,0|0,0,0]=2 905 B9R1.15 CCC1=NC=CN=C1Cl C38966 [1,1,0,0,0,0|0,0,0]=2 906 B9R1.15 CCC1=NC=CN=C1N E43328 [1,1,0,0,0,0|0,0,0]=2 907 B9R1.15 CCC1=NC=CNC1=O E43188 [1,1,0,0,0,0|0,0,1]=3 908 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [1,1,0,0,0,0|2,0,0]=4 909 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [1,1,0,0,0,0|2,0,0]=4 910 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [1,1,0,0,0,0|2,0,0]=4 911 B9R1.15 CNC1=CC=CN=C1Cl C42994 [1,1,0,0,0,0|2,0,0]=4 912 B9R1.15 CNC1=CC=CN=C1N M62813 [1,1,0,0,0,0|2,0,0]=4 913 B9R1.15 CNC1=NC=CC=C1N M43341 [1,1,0,0,0,0|2,0,0]=4 914 B9R1.15 CNC1=NC=CN=C1N M63361 [1,1,0,0,0,0|1,0,0]=3 915 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,1,0,0,0,0|2,0,0]=4 916 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [1,1,0,0,0,0|2,0,0]=4 917 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,1,0,0,0,0|2,0,0]=4 918 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,1,0,0,0,0|2,0,0]=4 919 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,1,0,0,0,0|2,0,0]=4 920 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,1,0,0,0,0|2,0,0]=4 921 B9R1.15 COC1=CC=CN=C1Br B4536 [1,1,0,0,0,0|2,0,0]=4 922 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.15 COC1=CC=CN=C1F F42924 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.15 COC1=CC=CN=C1I K62151 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.15 COC1=NC=CC=C1C M46378 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.15 COC1=NC=CC=C1N A12743 [1,1,0,0,0,0|2,0,0]=4 927 B9R1.15 COC1=NC=CN=C1Br B40912 [1,1,0,0,0,0|1,0,0]=3 928 B9R1.15 COC1=NC=CN=C1C M39278 [1,1,0,0,0,0|1,0,0]=3 929 B9R1.15 COC1=NC=CN=C1Cl C1053 [1,1,0,0,0,0|1,0,0]=3 930 B9R1.15 COC1=NC=CN=C1I I3006 [1,1,0,0,0,0|1,0,0]=3 931 B9R1.15 COC1=NC=CN=C1N M32096 [1,1,0,0,0,0|1,0,0]=3 932 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.15 CSC1=NC=CN=C1C M43263 [1,1,0,0,0,0|1,0,0]=3 934 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [1,1,0,0,0,0|2,0,0]=4 935 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [1,1,0,0,0,0|2,0,0]=4 936 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [1,1,0,0,0,0|1,0,0]=3 939 B9R1.15 FC1=CC=CN=C1CBr B19661 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.15 FC1=CC=CN=C1CBr B7783 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.15 FC1=CC=CN=C1CCl C13988 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.15 N#CC1=NC=CN=C1Cl C0571 [1,1,0,0,0,0|1,0,1]=4 943 B9R1.15 N#CC1=NC=CN=C1N A40815 [1,1,0,0,0,0|1,0,1]=4 944 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.15 NC1=CC=CN=C1CO A24069 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.15 NC1=NC=CN=C1C=O A0269 [1,1,0,0,0,0|1,0,1]=4 947 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [1,1,0,0,0,0|2,0,0]=4 951 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [1,1,0,0,0,0|2,0,0]=4 952 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [1,1,0,0,0,0|2,0,0]=4 954 B9R1.15 NCC1=CC=CN=C1Cl A10464 [1,1,0,0,0,0|2,0,0]=4 955 B9R1.15 NCC1=CC=CN=C1F F43528 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.15 NCC1=NC=CN=C1Cl C25893 [1,1,0,0,0,0|1,0,0]=3 957 B9R1.15 NCC1=NC=CN=C1Cl C26687 [1,1,0,0,0,0|1,0,0]=3 958 B9R1.15 NNC1=NC=CN=C1Cl C12505 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [1,1,0,0,0,0|1,0,1]=4 960 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [1,1,0,0,0,0|2,0,0]=4 967 B9R1.15 OCC1=CC=CN=C1Br B69414 [1,1,0,0,0,0|2,0,0]=4 968 B9R1.15 OCC1=CC=CN=C1Cl C0580 [1,1,0,0,0,0|2,0,0]=4 969 B9R1.15 OCC1=CC=CN=C1F F42930 [1,1,0,0,0,0|2,0,0]=4 970 B9R1.15 OCC1=NC=CN=C1Cl C1612 [1,1,0,0,0,0|1,0,0]=3 971 B9R1.3 CC1=CC=CC(C)=C1Br D49159 [1,1,0,0,0,0|2,0,0]=4 972 B9R1.3 CC1=CC=CC(C)=C1Cl C68697 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.3 CC1=CC=CC(C)=C1F F49164 [1,1,0,0,0,0|2,0,0]=4 974 B9R1.3 CC1=CC=CC(C)=C1I K49169 [1,1,0,0,0,0|2,0,0]=4 975 B9R1.3 CC1=CC=CC(C)=C1[Mg+] D31737 [1,1,0,0,0,0|2,0,0]=4 976 B9R1.3 CC1=CN=CC(Br)=C1C B67733 [1,1,0,0,0,0|2,0,0]=4 977 B9R1.3 CC1=CN=CC(Br)=C1Cl B42533 [1,1,0,0,0,0|2,0,0]=4 978 B9R1.3 CC1=CN=CC(Br)=C1N B36942 [1,1,0,0,0,0|2,0,0]=4 979 B9R1.3 CC1=CN=CC(C)=C1N D1039 [1,1,0,0,0,0|1,0,0]=3 980 B9R1.3 CC1=CN=CC(Cl)=C1N C32268 [1,1,0,0,0,0|2,0,0]=4 981 B9R1.3 CC1=CN=CC(F)=C1N F43016 [1,1,0,0,0,0|2,0,0]=4 982 B9R1.3 CC1=CN=CC(N)=C1N M43335 [1,1,0,0,0,0|2,0,0]=4 983 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [1,1,0,0,0,0|1,0,1]=4 984 B9R1.34 CC1=CC(Br)=CC(Br)=N1 D25404 [1,1,0,0,0,0|2,0,0]=4 985 B9R1.34 CC1=CC(Br)=CC(C)=N1 B32225 [1,1,0,0,0,0|1,0,0]=3 986 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 B42535 [1,1,0,0,0,0|2,0,0]=4 987 B9R1.34 CC1=CC(Br)=CC(F)=N1 B42552 [1,1,0,0,0,0|2,0,0]=4 988 B9R1.34 CC1=CC(Br)=CC(N)=N1 B32094 [1,1,0,0,0,0|2,0,0]=4 989 B9R1.34 CC1=CC(Br)=CC(O)=N1 B25850 [1,1,0,0,0,0|2,0,0]=4 990 B9R1.34 CC1=CC(Br)=NC(C)=C1 B23884 [1,1,0,0,0,0|2,0,0]=4 991 B9R1.34 CC1=CC(Br)=NC(C)=N1 B42970 [1,1,0,0,0,0|2,0,0]=4 992 B9R1.34 CC1=CC(C)=CC(Br)=C1 B39512 [1,1,0,0,0,0|2,0,0]=4 993 B9R1.34 CC1=CC(C)=CC(F)=C1 D49162 [1,1,0,0,0,0|2,0,0]=4 994 B9R1.34 CC1=CC(C)=CC([Mg+])=C1 D31739 [1,1,0,0,0,0|2,0,0]=4 995 B9R1.34 CC1=CC(C)=NC(C)=C1 T69125 [1,1,0,0,0,0|1,0,0]=3 996 B9R1.34 CC1=CC(Cl)=CC(C)=N1 C36740 [1,1,0,0,0,0|1,0,0]=3 997 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 D5517 [1,1,0,0,0,0|2,0,0]=4 998 B9R1.34 CC1=CC(Cl)=CC(N)=N1 A69246 [1,1,0,0,0,0|2,0,0]=4 999 B9R1.34 CC1=CC(Cl)=NC(C)=C1 C46101 [1,1,0,0,0,0|2,0,0]=4 1000 B9R1.34 CC1=CC(Cl)=NC(C)=N1 C23724 [1,1,0,0,0,0|2,0,0]=4 1001 B9R1.34 CC1=CC(F)=CC(F)=N1 D36881 [1,1,0,0,0,0|2,0,0]=4 1002 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C42583 [1,1,0,0,0,0|2,0,0]=4 1003 B9R1.34 CC1=CC(I)=CC(F)=N1 F39127 [1,1,0,0,0,0|2,0,0]=4 1004 B9R1.34 CC1=CC(N)=CC(Br)=N1 B9374 [1,1,0,0,0,0|2,0,0]=4 1005 B9R1.34 CC1=CC(N)=CC(C)=N1 D3945 [1,1,0,0,0,0|1,0,0]=3 1006 B9R1.34 CC1=CC(N)=CC(Cl)=N1 C25407 [1,1,0,0,0,0|2,0,0]=4 1007 B9R1.34 CC1=CC(N)=NC(C)=C1 A43617 [1,1,0,0,0,0|2,0,0]=4 1008 B9R1.34 CC1=CC(O)=CC(O)=N1 M43137 [1,1,0,0,0,0|2,0,0]=4 1009 B9R1.34 CC1=CC(O)=CC(O)=N1 M43138 [1,1,0,0,0,0|2,0,0]=4 1010 B9R1.34 CC1=CC(O)=NC(C)=C1 D69531 [1,1,0,0,0,0|2,0,0]=4 1011 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [1,1,0,0,0,0|2,0,0]=4 1012 B9R1.69 CC1=C(Br)C=CC(Br)=N1 D23496 [1,1,0,0,0,0|2,0,0]=4 1013 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 B18652 [1,1,0,0,0,0|2,0,0]=4 1014 B9R1.69 CC1=C(Br)C=CC(F)=N1 B42551 [1,1,0,0,0,0|2,0,0]=4 1015 B9R1.69 CC1=C(Br)C=CC(N)=N1 B5097 [1,1,0,0,0,0|2,0,0]=4 1016 B9R1.69 CC1=C(Br)C=CC(O)=N1 B42887 [1,1,0,0,0,0|2,0,0]=4 1017 B9R1.69 CC1=C(C)N=C(Br)C=N1 B42969 [1,1,0,0,0,0|1,0,0]=3 1018 B9R1.69 CC1=C(C)N=C(Cl)C=C1 C46102 [1,1,0,0,0,0|2,0,0]=4 1019 B9R1.69 CC1=C(C)N=C(Cl)C=N1 C42990 [1,1,0,0,0,0|1,0,0]=3 1020 B9R1.69 CC1=C(C)N=C(N)C=C1 D24371 [1,1,0,0,0,0|2,0,0]=4 1021 B9R1.69 CC1=C(C)N=C(N)C=N1 D24637 [1,1,0,0,0,0|1,0,0]=3 1022 B9R1.69 CC1=C(C)NC(=O)C=N1 D43209 [1,1,0,0,0,0|1,0,1]=4 1023 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 B42536 [1,1,0,0,0,0|2,0,0]=4 1024 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 D42561 [1,1,0,0,0,0|2,0,0]=4 1025 B9R1.69 CC1=C(Cl)C=CC(N)=N1 C42999 [1,1,0,0,0,0|2,0,0]=4 1026 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C42907 [1,1,0,0,0,0|2,0,0]=4 1027 B9R1.69 CC1=C(Cl)N=CC(Br)=N1 B63362 [1,1,0,0,0,0|1,0,0]=3 1028 B9R1.69 CC1=C(F)C=CC(Br)=N1 B4782 [1,1,0,0,0,0|2,0,0]=4 1029 B9R1.69 CC1=C(F)C=CC(Cl)=N1 C26077 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.69 CC1=C(F)C=CC(N)=N1 A16597 [1,1,0,0,0,0|2,0,0]=4 1031 B9R1.69 CC1=C(I)C=CC(F)=N1 F42596 [1,1,0,0,0,0|2,0,0]=4 1032 B9R1.69 CC1=C(I)C=CC(N)=N1 K43025 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.69 CC1=C(N)C=CC(Br)=N1 A15124 [1,1,0,0,0,0|2,0,0]=4 1034 B9R1.69 CC1=C(N)C=CC(Cl)=N1 A15123 [1,1,0,0,0,0|2,0,0]=4 1035 B9R1.69 CC1=C(N)N=CC(Br)=N1 A37808 [1,1,0,0,0,0|1,0,0]=3 1036 B9R1.69 CC1=C(O)C=CC(Br)=N1 B42888 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.69 CC1=C(O)C=CC(Cl)=N1 C42909 [1,1,0,0,0,0|2,0,0]=4 1038 B9R1.69 CC1=C(O)N=CC(Br)=N1 B37166 [1,1,0,0,0,0|1,0,0]=3 1039 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 B42532 [1,1,0,0,0,0|2,0,0]=4 1040 B9R1.69 CC1=CC(Br)=C(F)N=C1 B2994 [1,1,0,0,0,0|2,0,0]=4 1041 B9R1.69 CC1=CC(Br)=C(N)N=C1 B21800 [1,1,0,0,0,0|2,0,0]=4 1042 B9R1.69 CC1=CC(Br)=C(O)N=C1 B21801 [1,1,0,0,0,0|2,0,0]=4 1043 B9R1.69 CC1=CC(Br)=CN=C1Br D1477 [1,1,0,0,0,0|2,0,0]=4 1044 B9R1.69 CC1=CC(Br)=CN=C1C B46085 [1,1,0,0,0,0|2,0,0]=4 1045 B9R1.69 CC1=CC(Br)=CN=C1Cl B22875 [1,1,0,0,0,0|2,0,0]=4 1046 B9R1.69 CC1=CC(Br)=CN=C1F B2992 [1,1,0,0,0,0|2,0,0]=4 1047 B9R1.69 CC1=CC(Br)=CN=C1N B42973 [1,1,0,0,0,0|2,0,0]=4 1048 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [1,1,0,0,0,0|2,0,0]=4 1049 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [1,1,0,0,0,0|2,0,0]=4 1050 B9R1.69 CC1=CC(C)=NN=C1Cl C1716 [1,1,0,0,0,0|2,0,0]=4 1051 B9R1.69 CC1=CC(Cl)=C(N)N=C1 C61779 [1,1,0,0,0,0|2,0,0]=4 1052 B9R1.69 CC1=CC(Cl)=CN=C1Br B8272 [1,1,0,0,0,0|2,0,0]=4 1053 B9R1.69 CC1=CC(Cl)=CN=C1Cl D42560 [1,1,0,0,0,0|2,0,0]=4 1054 B9R1.69 CC1=CC(Cl)=CN=C1N C42998 [1,1,0,0,0,0|2,0,0]=4 1055 B9R1.69 CC1=CC(Cl)=CN=C1O C42905 [1,1,0,0,0,0|2,0,0]=4 1056 B9R1.69 CC1=CC(F)=C(N)N=C1 F43015 [1,1,0,0,0,0|2,0,0]=4 1057 B9R1.69 CC1=CC(F)=CN=C1Br B23405 [1,1,0,0,0,0|2,0,0]=4 1058 B9R1.69 CC1=CC(F)=CN=C1Cl C42569 [1,1,0,0,0,0|2,0,0]=4 1059 B9R1.69 CC1=CC(F)=CN=C1N F43018 [1,1,0,0,0,0|2,0,0]=4 1060 B9R1.69 CC1=CC(I)=C(F)N=C1 F6510 [1,1,0,0,0,0|2,0,0]=4 1061 B9R1.69 CC1=CC(I)=C(N)N=C1 I29765 [1,1,0,0,0,0|2,0,0]=4 1062 B9R1.69 CC1=CC(I)=CN=C1Br B42556 [1,1,0,0,0,0|2,0,0]=4 1063 B9R1.69 CC1=CC(I)=CN=C1Cl C42584 [1,1,0,0,0,0|2,0,0]=4 1064 B9R1.69 CC1=CC(I)=CN=C1N K43024 [1,1,0,0,0,0|2,0,0]=4 1065 B9R1.69 CC1=CC(I)=CN=C1O K42936 [1,1,0,0,0,0|2,0,0]=4 1066 B9R1.69 CC1=CC(N)=CN=C1Br A42967 [1,1,0,0,0,0|2,0,0]=4 1067 B9R1.69 CC1=CC(N)=CN=C1C D43613 [1,1,0,0,0,0|2,0,0]=4 1068 B9R1.69 CC1=CC(N)=CN=C1Cl C23404 [1,1,0,0,0,0|2,0,0]=4 1069 B9R1.69 CC1=CC(N)=CN=C1F F43017 [1,1,0,0,0,0|2,0,0]=4 1070 B9R1.69 CC1=CC(O)=CN=C1Br B42893 [1,1,0,0,0,0|2,0,0]=4 1071 B9R1.69 CC1=CC(O)=CN=C1Cl C15197 [1,1,0,0,0,0|2,0,0]=4 1072 B9R1.69 CC1=CC(O)=CN=C1F F62152 [1,1,0,0,0,0|2,0,0]=4 1073 B9R1.69 CC1=CC=C(Br)C(Br)=N1 D42515 [1,1,0,0,0,0|2,0,0]=4 1074 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [1,1,0,0,0,0|2,0,0]=4 1075 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 D42559 [1,1,0,0,0,0|2,0,0]=4 1076 B9R1.69 CC1=CC=C(F)C(Br)=N1 B23352 [1,1,0,0,0,0|2,0,0]=4 1077 B9R1.69 CC1=CC=C(F)C(Cl)=N1 C42573 [1,1,0,0,0,0|2,0,0]=4 1078 B9R1.69 CC1=CC=C(N)C(Br)=N1 B37081 [1,1,0,0,0,0|2,0,0]=4 1079 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [1,1,0,0,0,0|1,0,0]=3 1080 B9R1.69 CC1=CC=C(N)C(Cl)=N1 A42987 [1,1,0,0,0,0|2,0,0]=4 1081 B9R1.69 CC1=CC=C(N)C(I)=N1 K43022 [1,1,0,0,0,0|2,0,0]=4 1082 B9R1.69 CC1=CC=C(O)C(Br)=N1 B1020 [1,1,0,0,0,0|2,0,0]=4 1083 B9R1.69 CC1=CC=C(O)C(F)=N1 F42928 [1,1,0,0,0,0|2,0,0]=4 1084 B9R1.69 CC1=CC=C(O)C(I)=N1 H37772 [1,1,0,0,0,0|2,0,0]=4 1085 B9R1.69 CC1=CN=C(Br)C(Br)=C1 D42517 [1,1,0,0,0,0|2,0,0]=4 1086 B9R1.69 CC1=CN=C(Br)C(C)=C1 B46080 [1,1,0,0,0,0|1,0,0]=3 1087 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 B42530 [1,1,0,0,0,0|2,0,0]=4 1088 B9R1.69 CC1=CN=C(Br)C(F)=C1 B13540 [1,1,0,0,0,0|2,0,0]=4 1089 B9R1.69 CC1=CN=C(Br)C(N)=C1 A42977 [1,1,0,0,0,0|2,0,0]=4 1090 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [1,1,0,0,0,0|1,0,0]=3 1091 B9R1.69 CC1=CN=C(C)C(Cl)=N1 C42989 [1,1,0,0,0,0|1,0,0]=3 1092 B9R1.69 CC1=CN=C(C)C(I)=N1 K43021 [1,1,0,0,0,0|1,0,0]=3 1093 B9R1.69 CC1=CN=C(C)C(N)=N1 D32397 [1,1,0,0,0,0|1,0,0]=3 1094 B9R1.69 CC1=CN=C(Cl)C(C)=N1 C42988 [1,1,0,0,0,0|0,0,0]=2 1095 B9R1.69 CC1=CN=C(Cl)C(Cl)=C1 D42558 [1,1,0,0,0,0|2,0,0]=4 1096 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 D40725 [1,1,0,0,0,0|1,0,0]=3 1097 B9R1.69 CC1=CN=C(Cl)C(F)=C1 C42572 [1,1,0,0,0,0|2,0,0]=4 1098 B9R1.69 CC1=CN=C(Cl)C(N)=C1 C42993 [1,1,0,0,0,0|2,0,0]=4 1099 B9R1.69 CC1=CN=C(Cl)C(N)=N1 C39122 [1,1,0,0,0,0|1,0,0]=3 1100 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [1,1,0,0,0,0|2,0,0]=4 1101 B9R1.69 CC1=CN=C(I)C(C)=N1 K63360 [1,1,0,0,0,0|0,0,0]=2 1102 B9R1.69 CC1=CN=C(N)C(=O)N1 A41143 [1,1,0,0,0,0|1,0,1]=4 1103 B9R1.69 CC1=CN=C(N)C(Br)=N1 B41061 [1,1,0,0,0,0|1,0,0]=3 1104 B9R1.69 CC1=CN=C(N)C(C)=C1 D43610 [1,1,0,0,0,0|1,0,0]=3 1105 B9R1.69 CC1=CN=C(N)C(Cl)=N1 C41076 [1,1,0,0,0,0|1,0,0]=3 1106 B9R1.69 CC1=CN=C(N)C(N)=C1 D43331 [1,1,0,0,0,0|2,0,0]=4 1107 B9R1.69 CC1=CNC(=O)C(C)=N1 D69506 [1,1,0,0,0,0|0,0,1]=3 1108 B9R1.69 CC1=CNC(=O)C(Cl)=N1 C40933 [1,1,0,0,0,0|1,0,1]=4 1109 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [1,1,0,0,0,0|1,0,0]=3 1110 B9R1.69 CC1=NC(C)=C(Br)C=N1 B42971 [1,1,0,0,0,0|2,0,0]=4 1111 B9R1.69 CC1=NC(C)=C(N)C=N1 D43336 [1,1,0,0,0,0|2,0,0]=4 1112 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [1,1,0,0,0,0|1,0,0]=3 1113 B9R1.69 CC1=NC(C)=C(O)C=N1 D43192 [1,1,0,0,0,0|2,0,0]=4 1114 B9R1.69 CC1=NC(Cl)=C(Br)C=C1 B42526 [1,1,0,0,0,0|2,0,0]=4 1115 B9R1.69 CC1=NC(F)=C(Br)C=C1 B42546 [1,1,0,0,0,0|2,0,0]=4 1116 B9R1.69 CC1=NC(F)=C(I)C=C1 F42594 [1,1,0,0,0,0|2,0,0]=4 1117 B9R1.69 CC1=NC(N)=C(Br)C=C1 B18303 [1,1,0,0,0,0|2,0,0]=4 1118 B9R1.69 CC1=NC(N)=C(I)C=C1 K61473 [1,1,0,0,0,0|2,0,0]=4 1119 B9R1.69 CC1=NC(N)=C(O)C=C1 A43201 [1,1,0,0,0,0|2,0,0]=4 1120 B9R1.69 CC1=NC(N)=CN=C1Br B41062 [1,1,0,0,0,0|1,0,0]=3 1121 B9R1.69 CC1=NC(N)=CN=C1Cl C23741 [1,1,0,0,0,0|1,0,0]=3 1122 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [1,1,0,0,0,0|2,0,0]=4 1123 B9R1.69 CC1=NC=C(N)N=C1Br B41063 [1,1,0,0,0,0|2,0,0]=4 1124 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 B40275 [1,1,0,0,0,0|2,0,0]=4 1125 B9R1.69 ClC1=CN=C(Cl)C(Cl)=N1 T40281 [1,1,0,0,0,0|2,0,0]=4 1126 B9R1.69 ClC1=CN=C(I)C(Cl)=N1 D32285 [1,1,0,0,0,0|2,0,0]=4 1127 B9R1.69 ClC1=NC(Br)=CN=C1Br D63358 [1,1,0,0,0,0|2,0,0]=4 1128 B9R1.69 ClC1=NC=C(Br)N=C1Br D9770 [1,1,0,0,0,0|2,0,0]=4 1129 B9R1.69 NC1=C(Cl)N=C(Br)C=N1 A0343 [1,1,0,0,0,0|2,0,0]=4 1130 B9R1.69 NC1=C(Cl)N=C(I)C=N1 A11542 [1,1,0,0,0,0|2,0,0]=4 1131 B9R1.69 NC1=C(Cl)N=CC(Br)=N1 B9774 [1,1,0,0,0,0|2,0,0]=4 1132 B9R1.69 NC1=C(N)N=C(Br)C=N1 B9793 [1,1,0,0,0,0|2,0,0]=4 1133 B9R1.69 NC1=C(N)N=C(Cl)C=N1 C40148 [1,1,0,0,0,0|2,0,0]=4 1134 B9R1.69 NC1=CN=C(Br)C(Br)=N1 D40046 [1,1,0,0,0,0|2,0,0]=4 1135 B9R1.69 NC1=CN=C(Br)C(Cl)=N1 A11540 [1,1,0,0,0,0|2,0,0]=4 1136 B9R1.69 NC1=CN=C(Cl)C(Br)=N1 B32312 [1,1,0,0,0,0|2,0,0]=4 1137 B9R1.69 NC1=CN=C(I)C(Cl)=N1 C61833 [1,1,0,0,0,0|2,0,0]=4 1138 B9R1.69 NC1=NC(Br)=CN=C1Br D0685 [1,1,0,0,0,0|2,0,0]=4 1139 B9R1.69 NC1=NC(Cl)=CN=C1Br A11539 [1,1,0,0,0,0|2,0,0]=4 1140 B9R1.69 NC1=NC(Cl)=CN=C1Cl D40048 [1,1,0,0,0,0|2,0,0]=4 1141 B9R1.69 NC1=NC=C(Br)N=C1Br A9691 [1,1,0,0,0,0|2,0,0]=4 1142 B9R1.69 NC1=NC=C(Br)N=C1I B37564 [1,1,0,0,0,0|2,0,0]=4 1143 B9R1.69 NC1=NC=C(Cl)N=C1Br B25290 [1,1,0,0,0,0|2,0,0]=4 1144 B9R1.69 NC1=NC=C(Cl)N=C1Cl A38575 [1,1,0,0,0,0|2,0,0]=4 1145 B9R1.69 OC1=NC=C(Br)N=C1Br D39990 [1,1,0,0,0,0|2,0,0]=4 1146 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,0,1,0|1,0,0]=3 1147 B9R1.7 CC1=NNC(CC#N)=N1 M65089 [0,1,0,0,1,0|1,0,1]=4 1148 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,0,1,0|2,0,0]=4 1149 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [0,1,0,0,1,0|2,0,0]=4 1150 B9R1.7 CNCC1=CN(C)C=N1 M16460 [0,1,0,0,1,0|2,0,0]=4 1151 B9R1.7 NC1=NC=C(CCO)S1 A41202 [0,1,0,0,1,0|2,0,0]=4 1152 B9R1.7 NC1=NN(CCO)C=C1 A41247 [0,1,0,0,1,0|2,0,0]=4 1153 B9R1.21 CCC1=CSC(C=O)=N1 E43175 [0,1,0,0,1,0|1,0,1]=4 1154 B9R1.21 CCN1C=C(CN)C=N1 E41492 [0,1,0,0,1,0|2,0,0]=4 1155 B9R1.21 COC1=CC=C(OC)S1 D43309 [0,1,0,0,1,0|2,0,0]=4 1156 B9R1.21 OCC1=CC=C(CO)O1 F69147 [0,1,0,0,1,0|2,0,0]=4 1157 B9R1.22 CC1=NC(Br)=C(CBr)S1 B40988 [0,1,0,0,1,0|2,0,0]=4 1158 B9R1.22 CC1=NC(C)=C(CO)S1 D43393 [0,1,0,0,1,0|2,0,0]=4 1159 B9R1.23 CC1=CC(CCl)=NN1C C11366 [0,1,0,0,1,0|2,0,0]=4 1160 B9R1.23 CC1=CC(CN)=NN1C A11367 [0,1,0,0,1,0|2,0,0]=4 1161 B9R1.23 CC1=CC(CO)=NN1C H11365 [0,1,0,0,1,0|2,0,0]=4 1162 B9R1.23 CCC1=NC(C)=C(Br)S1 B43293 [0,1,0,0,1,0|1,0,0]=3 1163 B9R1.23 CCN1C=C(N)C(C)=N1 A15545 [0,1,0,0,1,0|1,0,0]=3 1164 B9R1.23 CCN1C=C(N)C(C)=N1 E61343 [0,1,0,0,1,0|1,0,0]=3 1165 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,0,1,0|1,0,1]=4 1166 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,1,0,0,1,0|1,0,1]=4 1167 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,1,0,0,1,0|1,0,1]=4 1168 B9R1.35 CC(C)C1=CN=C(Br)S1 B43292 [0,1,0,0,1,0|2,0,0]=4 1169 B9R1.35 CC(C)C1=CN=C(N)S1 P67827 [0,1,0,0,1,0|2,0,0]=4 1170 B9R1.35 CC(C)C1=CSC(Br)=N1 B43291 [0,1,0,0,1,0|2,0,0]=4 1171 B9R1.35 CC(C)C1=NC(Br)=CS1 B2063 [0,1,0,0,1,0|2,0,0]=4 1172 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [0,1,0,0,1,0|2,0,0]=4 1173 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,1,0,0,1,0|1,0,0]=3 1174 B9R1.35 C[C@H](N)C1=CN(C)N=C1 M14047 [0,1,0,0,1,0|2,0,0]=4 1175 B9R1.35 C[C@H](O)C1=CN(C)C=N1 M0652 [0,1,0,0,1,0|2,0,0]=4 1176 B9R1.132 CC1=CC=C(CN)N1C A13529 [0,1,0,0,1,0|1,0,1]=4 1177 B9R1.14 CCN1C=NC=C1C=O E43539 [0,1,0,0,1,0|1,0,1]=4 1178 B9R1.14 COC1=CSC=C1OC D38623 [0,1,0,0,1,0|2,0,0]=4 1179 B9R1.27 CC1=NOC(C)=C1CCl C43298 [0,1,0,0,1,0|2,0,0]=4 1180 B9R1.27 CC1=NOC(C)=C1CN D41432 [0,1,0,0,1,0|2,0,0]=4 1181 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,1,0,0,1,0|1,0,1]=4 1182 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,1,0,0,1,0|0,0,2]=4 1183 B9R1.41 CC(C)C1=C(Br)C=NN1 B12019 [0,1,0,0,1,0|2,0,0]=4 1184 B11R1.267 CCC1=CC=CC(CC)=C1O D53083 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.267 COC1=CN=CC(OC)=C1Br B46126 [0,2,0,0,0,0|2,0,0]=4 1186 B11R1.9 CCC1=CC(Br)=CC(CC)=C1 B52870 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.9 CCC1=CC(Br)=CC(CC)=N1 B50226 [0,2,0,0,0,0|1,0,0]=3 1188 B11R1.9 COC1=CC(Cl)=CC(OC)=N1 C46140 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.9 COC1=NC(C)=CC(C=O)=C1 M32240 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.9 COC1=NC(C)=CC(CCl)=C1 C32334 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.9 NC1=CC(CO)=NC(CO)=C1 A63487 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.14 COC1=NC(C)=C(Br)C(C)=C1 B28642 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.34 CCNC1=NC(C)=CC(Cl)=N1 C43692 [0,2,0,0,0,0|2,0,0]=4 1194 B11R1.34 CCOC1=NC(C)=CC(N)=C1 E46977 [0,2,0,0,0,0|1,0,0]=3 1195 B11R1.74 CC1=CC(Br)=CC(C(F)F)=N1 B37328 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 A50349 [0,2,0,0,0,0|2,0,0]=4 1197 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A50350 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A52173 [0,2,0,0,0,0|2,0,0]=4 1199 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 B61988 [0,2,0,0,0,0|2,0,0]=4 1200 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [0,2,0,0,0,0|2,0,0]=4 1201 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 M38724 [0,2,0,0,0,0|1,0,1]=4 1202 B11R1.23 COC(=O)C1=CN=CC(C)=C1 M12907 [0,2,0,0,0,0|1,0,1]=4 1203 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 M0687 [0,2,0,0,0,0|1,0,1]=4 1204 B11R1.23 COC(=O)C1=CN=CC(I)=N1 M63354 [0,2,0,0,0,0|1,0,1]=4 1205 B11R1.23 COC(=O)C1=NC(C)=CC=C1 M49292 [0,2,0,0,0,0|1,0,1]=4 1206 B11R1.23 COC(=O)C1=NC(C)=CN=C1 M46012 [0,2,0,0,0,0|0,0,1]=3 1207 B11R1.23 COC(=O)C1=NC(N)=CN=C1 M8739 [0,2,0,0,0,0|1,0,1]=4 1208 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 A46570 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.24 CCCOC1=NC(C)=CN=C1 M46976 [0,2,0,0,0,0|0,0,0]=2 1211 B11R1.24 OCCNC1=CC=CC(Cl)=N1 C46329 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 S49484 [0,2,0,0,0,0|1,0,1]=4 1213 B11R1.182 CCOC1=C(N)N=CC(Br)=N1 A69486 [0,2,0,0,0,0|1,0,0]=3 1214 B11R1.189 CNCC1=CC=CC(OC)=C1 M50357 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.189 CNCC1=CC=NC(SC)=N1 M46475 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.189 COC1=CC(CCN)=CC=C1 M52171 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.189 COC1=CC(CCN)=CC=C1 M67069 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.189 COC1=CC(CCO)=CC=C1 M50285 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.189 COCC1=CC=CC(C=O)=N1 M49286 [0,2,0,0,0,0|1,0,1]=4 1220 B11R1.189 NCC1=CC=CC(CCO)=C1 A32377 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 B50152 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.37 CC1=CN=C(C#N)C(C#N)=N1 M44407 [0,2,0,0,0,0|1,0,1]=4 1224 B11R1.37 CCC1=NC=C(C)N=C1CC D50396 [0,2,0,0,0,0|0,0,0]=2 1225 B11R1.37 COC1=C(OC)N=C(Br)C=N1 B43030 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.37 COC1=NC(N)=CN=C1C#N A63896 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 D46014 [0,2,0,0,0,0|1,0,1]=4 1229 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=N1 C42409 [0,2,0,0,0,0|1,0,1]=4 1230 B11R1.277 CC1=NC(C)=C(C)N=C1CO T28640 [0,2,0,0,0,0|1,0,0]=3 1231 B11R1.277 CCC1=NC(C)=C(C)N=C1C E50397 [0,2,0,0,0,0|0,0,0]=2 1232 B11R1.280 COC1=CC=C(N)C(OC)=N1 A22799 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.280 COC1=NC(CO)=C(Br)C=C1 B46128 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.280 COC1=NC(OC)=C(Br)C=C1 B46125 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C49042 [0,2,0,0,0,0|1,0,1]=4 1236 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 B59688 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 D46015 [0,2,0,0,0,0|1,0,1]=4 1238 B11R1.21 CC1=C(Cl)C=CC([C@@H](C)N)=C1 C50246 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F52150 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl C42410 [0,2,0,0,0,0|1,0,1]=4 1241 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 B50227 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 B15440 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.155 CC(C)(O)C1=CC=CC(Br)=N1 B46794 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.155 CC(C)(O)C1=CC=CC(Cl)=N1 C46802 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.155 CC(F)(F)C1=CC(Br)=CN=C1 B45317 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.155 CC1=CC=CC(C(F)(F)F)=N1 M63836 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.155 NC1=CN=CC(C(F)(F)F)=N1 T67814 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 C12032 [0,2,0,0,0,0|1,0,1]=4 1249 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 B11975 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.266 CCC1=CC=CC(C(=N)N)=N1 E13407 [0,2,0,0,0,0|1,0,1]=4 1251 B11R1.266 CN(C)C1=CC=CC(CCl)=N1 C46864 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 M50354 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M52175 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64083 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64469 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.266 COC1=CC([C@H](C)O)=CC=C1 M50283 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.266 COC1=CC=CC(C(C)=O)=N1 A49277 [0,2,0,0,0,0|1,0,1]=4 1258 B11R1.266 COC1=CN=CC(C(=O)O)=N1 M42788 [0,2,0,0,0,0|1,0,1]=4 1259 B11R1.266 COC1=CN=CC(C(N)=O)=N1 M63359 [0,2,0,0,0,0|1,0,1]=4 1260 B11R1.266 FC(F)C1=CC=CC(CCl)=N1 C17528 [0,2,0,0,0,0|2,0,0]=4 1261 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,0,1,1,0,0|2,0,0]=4 1262 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [1,0,0,1,0,0|2,0,0]=4 1263 B9R2.3 C1=NNC2=C1CCC2 C15794 [0,0,0,1,1,0|1,0,0]=3 1264 B9R2.3 C1=NNC2=C1CNC2 T12684 [0,0,0,1,1,0|2,0,0]=4 1265 B9R2.3 C1=NNC2=C1CNC2 T31019 [0,0,0,1,1,0|2,0,0]=4 1266 B11R2.106 BrC1=C2CCNC2=CN=C1 B60365 [0,1,0,1,0,0|2,0,0]=4 1267 B11R2.106 BrC1=C2NCCC2=CN=C1 B8070 [0,1,0,1,0,0|2,0,0]=4 1268 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [0,1,0,1,0,0|2,0,0]=4 1269 B11R2.35 BrC1=CN=CC(C2CC2)=C1 B37616 [0,1,0,1,0,0|2,0,0]=4 1270 B11R2.35 NC1=CC(C2CC2)=CN=C1 C46641 [0,1,0,1,0,0|2,0,0]=4 1271 B11R2.36 BrC1=CN=C2CNCC2=C1 B11679 [0,1,0,1,0,0|2,0,0]=4 1272 B11R2.36 BrC1=CN=C2CNCC2=C1 B11680 [0,1,0,1,0,0|2,0,0]=4 1273 B11R2.36 BrC1=CN=C2NCCC2=C1 B12242 [0,1,0,1,0,0|2,0,0]=4 1274 B11R2.36 BrC1=CN=C2NCCC2=C1 B30154 [0,1,0,1,0,0|2,0,0]=4 1275 B11R2.36 BrC1=NC2=C(C=C1)NCC2 B45617 [0,1,0,1,0,0|2,0,0]=4 1276 B11R2.36 CC1=CC2=C(C=C1)NCC2 M49974 [0,1,0,1,0,0|2,0,0]=4 1277 B11R2.36 CC1=NC2=C(C=N1)CSC2 M46059 [0,1,0,1,0,0|2,0,0]=4 1278 B11R2.36 ClC1=CN=C2NCCC2=C1 C45621 [0,1,0,1,0,0|2,0,0]=4 1279 B11R2.36 ClC1=NC2=C(C=C1)CCC2 C48882 [0,1,0,1,0,0|2,0,0]=4 1280 B11R2.36 ClC1=NC2=C(C=C1)CNC2 C25491 [0,1,0,1,0,0|2,0,0]=4 1281 B11R2.36 FC1=CN=C2CNCC2=C1 F18831 [0,1,0,1,0,0|2,0,0]=4 1282 B11R2.190 OCC1=CC2=C(C=C1)CC2 B49878 [0,1,0,1,0,0|2,0,0]=4 1283 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,1,0|2,0,0]=4 1284 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,1,0|1,0,1]=4 1285 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,1,0|0,0,1]=3 1286 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,1,0|2,0,0]=4 1287 B7R1.1 CCN1C=CN=N1 E40219 [1,0,0,0,1,0|2,0,0]=4 1288 B7R1.1 CCN1C=NC=N1 E40218 [1,0,0,0,1,0|1,0,0]=3 1289 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,1,0|2,0,0]=4 1290 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,1,0|2,0,0]=4 1291 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,1,0|2,0,0]=4 1292 B7R1.1 COC1=CNN=C1 M20056 [1,0,0,0,1,0|2,0,0]=4 1293 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,1,0|2,0,0]=4 1294 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,1,0|2,0,0]=4 1295 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,1,0|2,0,0]=4 1296 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,1,0|2,0,0]=4 1297 B7R1.1 ClCC1=CNC=N1 C2088 [1,0,0,0,1,0|1,0,1]=4 1298 B7R1.1 ClCC1=CSC=N1 C2334 [1,0,0,0,1,0|2,0,0]=4 1299 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,1,0|2,0,0]=4 1300 B7R1.1 ClCC1=NOC=N1 C24041 [1,0,0,0,1,0|2,0,0]=4 1301 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,1,0|1,0,1]=4 1302 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,1,0|2,0,0]=4 1303 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,1,0|2,0,0]=4 1304 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,1,0|1,0,1]=4 1305 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,1,0|2,0,0]=4 1306 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,1,0|2,0,0]=4 1307 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,1,0|2,0,0]=4 1308 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,1,0|2,0,0]=4 1309 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,1,0|2,0,0]=4 1310 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,1,0|1,0,1]=4 1311 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,1,0|1,0,1]=4 1312 B7R1.1 NCC1=CNN=C1 A10475 [1,0,0,0,1,0|2,0,0]=4 1313 B7R1.1 NCC1=CNN=C1 P17334 [1,0,0,0,1,0|2,0,0]=4 1314 B7R1.1 NCC1=CNN=C1 P20267 [1,0,0,0,1,0|2,0,0]=4 1315 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,1,0|2,0,0]=4 1316 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,1,0|2,0,0]=4 1317 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,1,0|2,0,0]=4 1318 B7R1.1 NCC1=CON=C1 A14706 [1,0,0,0,1,0|2,0,0]=4 1319 B7R1.1 NCC1=CON=C1 I29534 [1,0,0,0,1,0|2,0,0]=4 1320 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,1,0|2,0,0]=4 1321 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,1,0|2,0,0]=4 1322 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,1,0|2,0,0]=4 1323 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,1,0|1,0,1]=4 1324 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,1,0|1,0,1]=4 1325 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,1,0|2,0,0]=4 1326 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,1,0|2,0,0]=4 1327 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,1,0|2,0,0]=4 1328 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,1,0|2,0,0]=4 1329 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,1,0|2,0,0]=4 1330 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,1,0|2,0,0]=4 1331 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,1,0|2,0,0]=4 1332 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,1,0|2,0,0]=4 1333 B7R1.1 OCC1=CC=NO1 K40159 [1,0,0,0,1,0|2,0,0]=4 1334 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,1,0|1,0,1]=4 1335 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,1,0|2,0,0]=4 1336 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,1,0|2,0,0]=4 1337 B7R1.1 OCC1=CNC=N1 H2067 [1,0,0,0,1,0|1,0,1]=4 1338 B7R1.1 OCC1=CNN=C1 H1729 [1,0,0,0,1,0|2,0,0]=4 1339 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,1,0|2,0,0]=4 1340 B7R1.1 OCC1=COC=N1 O7923 [1,0,0,0,1,0|2,0,0]=4 1341 B7R1.1 OCC1=CON=C1 H14705 [1,0,0,0,1,0|2,0,0]=4 1342 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,1,0|2,0,0]=4 1343 B7R1.1 OCC1=CSC=N1 T2165 [1,0,0,0,1,0|2,0,0]=4 1344 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,1,0|1,0,1]=4 1345 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,1,0|2,0,0]=4 1346 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,0,1,0|2,0,0]=4 1347 B7R1.1 OCC1=NC=NN1 T39912 [1,0,0,0,1,0|2,0,0]=4 1348 B7R1.1 OCC1=NNC=C1 H7696 [1,0,0,0,1,0|2,0,0]=4 1349 B7R1.1 OCC1=NOC=C1 I11321 [1,0,0,0,1,0|2,0,0]=4 1350 B7R1.1 OCN1C=CC=N1 P9800 [1,0,0,0,1,0|2,0,0]=4 1351 B7R1.1 OCN1C=NC=N1 T39855 [1,0,0,0,1,0|2,0,0]=4 1352 B7R1.2 CC1=CC(C)=NO1 D39182 [1,0,0,0,1,0|2,0,0]=4 1353 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,0,1,0|2,0,0]=4 1354 B7R1.2 CC1=CC=C(Br)S1 B40865 [1,0,0,0,1,0|2,0,0]=4 1355 B7R1.2 CC1=CC=C(C)S1 D43320 [1,0,0,0,1,0|1,0,0]=3 1356 B7R1.2 CC1=CC=C(I)S1 K40868 [1,0,0,0,1,0|2,0,0]=4 1357 B7R1.2 CC1=CN(C)N=C1 D69464 [1,0,0,0,1,0|2,0,0]=4 1358 B7R1.2 CC1=CN=C(Br)S1 B40104 [1,0,0,0,1,0|2,0,0]=4 1359 B7R1.2 CC1=CN=C(C)S1 D38993 [1,0,0,0,1,0|1,0,0]=3 1360 B7R1.2 CC1=CN=C(Cl)S1 C1978 [1,0,0,0,1,0|2,0,0]=4 1361 B7R1.2 CC1=CN=C(N)S1 A69715 [1,0,0,0,1,0|2,0,0]=4 1362 B7R1.2 CC1=CN=C(N)S1 M69725 [1,0,0,0,1,0|2,0,0]=4 1363 B7R1.2 CC1=CNC(Br)=N1 B40115 [1,0,0,0,1,0|1,0,1]=4 1364 B7R1.2 CC1=CNC(C)=N1 D41187 [1,0,0,0,1,0|0,0,1]=3 1365 B7R1.2 CC1=CNC(I)=N1 K40123 [1,0,0,0,1,0|1,0,1]=4 1366 B7R1.2 CC1=COC(N)=N1 A2053 [1,0,0,0,1,0|2,0,0]=4 1367 B7R1.2 CC1=CSC(Br)=N1 B2087 [1,0,0,0,1,0|2,0,0]=4 1368 B7R1.2 CC1=CSC(C)=N1 D41174 [1,0,0,0,1,0|1,0,0]=3 1369 B7R1.2 CC1=NC(Br)=CN1 B2121 [1,0,0,0,1,0|1,0,1]=4 1370 B7R1.2 CC1=NC(Br)=CS1 B2069 [1,0,0,0,1,0|2,0,0]=4 1371 B7R1.2 CC1=NC(N)=NO1 M39856 [1,0,0,0,1,0|2,0,0]=4 1372 B7R1.2 CC1=NC=C(Br)S1 B5222 [1,0,0,0,1,0|2,0,0]=4 1373 B7R1.2 CC1=NC=C(I)N1 K40124 [1,0,0,0,1,0|1,0,1]=4 1374 B7R1.2 CC1=NC=C(N)S1 M40189 [1,0,0,0,1,0|2,0,0]=4 1375 B7R1.2 CC1=NN(C)C=C1 D4115 [1,0,0,0,1,0|1,0,0]=3 1376 B7R1.2 CC1=NN=C(C)N1 D0366 [1,0,0,0,1,0|1,0,1]=4 1377 B7R1.2 CC1=NN=C(C)O1 D13454 [1,0,0,0,1,0|2,0,0]=4 1378 B7R1.2 CC1=NSC(Br)=N1 B39817 [1,0,0,0,1,0|2,0,0]=4 1379 B7R1.2 CC1=NSC(Cl)=N1 C39820 [1,0,0,0,1,0|2,0,0]=4 1380 B7R1.2 CC1=NSC(N)=N1 A39858 [1,0,0,0,1,0|2,0,0]=4 1381 B7R1.2 CN1C=CC(Br)=N1 B5930 [1,0,0,0,1,0|2,0,0]=4 1382 B7R1.2 CN1C=CC(Cl)=N1 C64917 [1,0,0,0,1,0|2,0,0]=4 1383 B7R1.2 CN1C=CC(I)=N1 M13226 [1,0,0,0,1,0|2,0,0]=4 1384 B7R1.2 CN1C=CC(N)=N1 A3263 [1,0,0,0,1,0|2,0,0]=4 1385 B7R1.2 CN1C=NC(Br)=N1 B36665 [1,0,0,0,1,0|2,0,0]=4 1386 B7R1.2 CN1C=NC(N)=N1 M38833 [1,0,0,0,1,0|2,0,0]=4 1387 B7R1.2 CN1N=CC(Br)=N1 B39841 [1,0,0,0,1,0|2,0,0]=4 1388 B7R1.4 CC1=C(Br)C=NN1 B12011 [1,0,0,0,1,0|2,0,0]=4 1389 B7R1.4 CC1=C(Br)C=NO1 B40106 [1,0,0,0,1,0|2,0,0]=4 1390 B7R1.4 CC1=C(N)NN=C1 M13606 [1,0,0,0,1,0|2,0,0]=4 1391 B7R1.4 CC1=C(N)ON=C1 M40180 [1,0,0,0,1,0|2,0,0]=4 1392 B7R1.4 CC1=CNC=C1C D12050 [1,0,0,0,1,0|0,0,1]=3 1393 B7R1.4 CC1=CNN=C1C D22811 [1,0,0,0,1,0|1,0,1]=4 1394 B7R1.4 CC1=CNN=C1C D60965 [1,0,0,0,1,0|1,0,1]=4 1395 B7R1.4 CC1=CSC=C1Br B40866 [1,0,0,0,1,0|2,0,0]=4 1396 B7R1.4 CN1C=NC=C1Br B2463 [1,0,0,0,1,0|2,0,0]=4 1397 B7R1.4 CN1C=NC=C1Cl C40118 [1,0,0,0,1,0|2,0,0]=4 1398 B7R1.4 CN1C=NC=C1I K2147 [1,0,0,0,1,0|2,0,0]=4 1399 B7R1.4 CN1C=NC=C1N M38381 [1,0,0,0,1,0|2,0,0]=4