0 B12R2.246 CC1=CC2=C(C=CN2)C(Cl)=N1 SY241509 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.246 CC1=NC(Cl)=C2C=CNC2=N1 SY046593 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.246 CC1=NC(Cl)=C2C=NNC2=N1 SY043077 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.246 CC1=NC(Cl)=CC2=C1C=NN2 SY292483 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.246 ClC1=C2N=CNC2=NC(I)=N1 SY240648 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.246 ClC1=CC(Br)=CC2=C1C=NN2 SY024741 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.246 ClC1=CC(Cl)=C2C=CNC2=N1 SY026383 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.246 ClC1=CC(Cl)=C2C=NNC2=N1 SY251493 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.246 ClC1=CC2=C(C=CN2)C(Cl)=N1 SY111511 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.246 ClC1=CC2=C(C=NN2)C(Br)=C1 SY004065 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.246 ClC1=CC2=C(C=NN2)C(Cl)=N1 SY035059 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.246 ClC1=CC2=C(C=NN2)C(I)=C1 SY019144 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.246 ClC1=NC(Cl)=C2C=CSC2=N1 SY007978 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.246 ClC1=NC(Cl)=C2C=NNC2=N1 SY006451 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.246 ClC1=NC2=C(C=CN2)C(Br)=C1 SY097977 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.246 ClC1=NC2=C(C=CN2)C(Cl)=N1 SY003887 [0,0,0,0,0,0|3,0,0]=3 16 B12R2.246 ClC1=NC2=CSC=C2C(Cl)=N1 SY285159 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.246 FC1=CC(Br)=CC2=C1C=NN2 SY014188 [0,0,0,0,0,0|4,0,0]=4 18 B12R2.246 FC1=CC2=C(C=NN2)C(Br)=C1 SY004066 [0,0,0,0,0,0|4,0,0]=4 19 B12R2.246 FC1=NC(Cl)=C2N=CNC2=N1 SY018648 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.246 NC1=C2C=CSC2=NC(Cl)=N1 SY261668 [0,0,0,0,0,0|4,0,0]=4 21 B12R2.246 NC1=CC(Br)=CC2=C1C=NN2 SY029984 [0,0,0,0,0,0|4,0,0]=4 22 B12R2.246 NC1=CC2=C(C=CN2)C(O)=N1 SY262910 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.246 NC1=CC2=C(C=NN2)C(F)=C1 SY098447 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.246 NC1=NC(Cl)=C2C=CNC2=N1 SY013816 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.246 NC1=NC(Cl)=C2C=NNC2=N1 SY015738 [0,0,0,0,0,0|2,0,0]=2 26 B12R2.246 NC1=NC(F)=NC2=C1N=CN2 SY036850 [0,0,0,0,0,0|4,0,0]=4 27 B12R2.246 NC1=NC(O)=C2C=CNC2=N1 SY013811 [0,0,0,0,0,0|2,0,0]=2 28 B12R2.246 O=C1N=C(Cl)NC2=C1C=NN2 SY036679 [0,0,0,0,0,0|1,0,2]=3 29 B12R2.246 OC1=C2C=CNC2=NC(Cl)=N1 SY121167 [0,0,0,0,0,0|2,0,0]=2 30 B12R2.246 OC1=C2C=CSC2=NC(Cl)=N1 SY286658 [0,0,0,0,0,0|3,0,0]=3 31 B12R2.246 OC1=NN2C=CN=C2C(O)=N1 SY277941 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.36 BrC1=CC2=C(C=C1)C=NN2 SY003685 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.36 BrC1=CC2=C(C=CN2)C=N1 SY059127 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 SY028942 [1,0,0,0,0,0|2,0,0]=3 35 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 SY007156 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.36 CC1=CC2=C(C=C1)C=NN2 SY020615 [1,0,0,0,0,0|3,0,0]=4 37 B11R2.36 CC1=CC=C2C=CNC2=N1 SY023701 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.36 CC1=CC=C2C=NNC2=N1 SY035627 [1,0,0,0,0,0|2,0,0]=3 39 B11R2.36 ClC1=CC2=C(C=C1)C=NN2 SY040590 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.36 ClC1=CC2=C(C=CN2)C=N1 SY040826 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 SY020932 [1,0,0,0,0,0|2,0,0]=3 42 B11R2.36 ClC1=CC=C2C=NNC2=N1 SY020652 [1,0,0,0,0,0|2,0,0]=3 43 B11R2.36 ClC1=CN=C2C=NNC2=N1 SY120709 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.36 ClC1=NC2=C(C=CN2)C=C1 SY007157 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.36 ClC1=NC=C2C=CNC2=N1 SY009624 [1,0,0,0,0,0|2,0,0]=3 46 B11R2.36 ClC1=NC=C2C=CSC2=N1 SY097781 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.36 ClC1=NC=C2C=NNC2=N1 SY041852 [1,0,0,0,0,0|1,0,0]=2 48 B11R2.36 ClC1=NC=C2NN=CC2=N1 SY041927 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.36 FC1=CC2=C(C=C1)C=NN2 SY008889 [1,0,0,0,0,0|3,0,0]=4 50 B11R2.36 FC1=NC2=C(C=CN2)C=C1 SY023861 [1,0,0,0,0,0|3,0,0]=4 51 B11R2.36 IC1=CC2=C(C=C1)C=NN2 SY020603 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.36 NC1=CC2=C(C=C1)C=NN2 SY002965 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.36 NC1=CC2=C(C=NN2)C=N1 SY251510 [1,0,0,0,0,0|2,0,0]=3 54 B11R2.36 NC1=NC2=C(C=CN2)C=C1 SY005073 [1,0,0,0,0,0|3,0,0]=4 55 B11R2.36 NC1=NC2=C(C=CN2)C=C1 SY005904 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.36 OC1=CC2=C(C=C1)C=NN2 SY005228 [1,0,0,0,0,0|2,0,0]=3 57 B11R2.36 OC1=CC=C2C=CNC2=C1 SY003879 [1,0,0,0,0,0|3,0,0]=4 58 B11R2.36 OC1=CC=C2C=CNC2=N1 SY105890 [1,0,0,0,0,0|2,0,0]=3 59 B11R2.106 BrC1=C2C=CNC2=NC=C1 SY005529 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.106 BrC1=C2C=CNC2=NC=N1 SY027361 [1,0,0,0,0,0|2,0,0]=3 61 B11R2.106 BrC1=CC=CC2=C1C=NN2 SY003799 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.106 BrC1=CC=NC2=C1C=NN2 SY008429 [1,0,0,0,0,0|2,0,0]=3 63 B11R2.106 CC1=C2C=CNC2=NC=N1 SY097663 [1,0,0,0,0,0|2,0,0]=3 64 B11R2.106 CC1=C2C=NNC2=CC=C1 SY014098 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.106 CC1=NC=CC2=C1C=CN2 SY028712 [1,0,0,0,0,0|3,0,0]=4 66 B11R2.106 ClC1=C2C=CNC2=NC=N1 SY003080 [1,0,0,0,0,0|2,0,0]=3 67 B11R2.106 ClC1=C2C=COC2=NC=N1 SY030361 [1,0,0,0,0,0|3,0,0]=4 68 B11R2.106 ClC1=C2C=NNC2=NC=C1 SY019150 [1,0,0,0,0,0|2,0,0]=3 69 B11R2.106 ClC1=C2CCNC2=NC=N1 SY021978 [1,0,0,0,0,0|2,0,1]=4 70 B11R2.106 ClC1=C2NN=CC2=NC=N1 SY027822 [1,0,0,0,0,0|3,0,0]=4 71 B11R2.106 ClC1=CC=CC2=C1C=NN2 SY039918 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.106 ClC1=CC=NC2=C1C=CN2 SY004661 [1,0,0,0,0,0|3,0,0]=4 73 B11R2.106 ClC1=NC=CC2=C1C=CN2 SY027782 [1,0,0,0,0,0|3,0,0]=4 74 B11R2.106 ClC1=NC=CC2=C1C=NN2 SY020403 [1,0,0,0,0,0|2,0,0]=3 75 B11R2.106 ClC1=NC=NC2=C1C=CS2 SY006753 [1,0,0,0,0,0|3,0,0]=4 76 B11R2.106 ClC1=NC=NC2=C1C=NN2 SY005568 [1,0,0,0,0,0|1,0,0]=2 77 B11R2.106 ClC1=NC=NC2=C1N=CN2 SY004779 [1,0,0,0,0,0|3,0,0]=4 78 B11R2.106 FC1=CC=CC2=C1C=NN2 SY005550 [1,0,0,0,0,0|3,0,0]=4 79 B11R2.106 FC1=NC=CC2=C1C=CN2 SY247570 [1,0,0,0,0,0|3,0,0]=4 80 B11R2.106 IC1=CC=CC2=C1C=NN2 SY035651 [1,0,0,0,0,0|3,0,0]=4 81 B11R2.106 NC1=C2C=CNC2=NC=C1 SY110063 [1,0,0,0,0,0|3,0,0]=4 82 B11R2.106 NC1=C2C=NNC2=CC=C1 SY003895 [1,0,0,0,0,0|3,0,0]=4 83 B11R2.106 NC1=C2C=NNC2=NC=C1 SY024736 [1,0,0,0,0,0|2,0,0]=3 84 B11R2.106 NC1=C2C=NNC2=NC=N1 SY007560 [1,0,0,0,0,0|1,0,0]=2 85 B11R2.106 NC1=NC=CC2=C1C=CN2 SY026009 [1,0,0,0,0,0|3,0,0]=4 86 B11R2.106 NC1=NC=NC2=C1C=CN2 SY005678 [1,0,0,0,0,0|2,0,0]=3 87 B11R2.106 NC1=NC=NC2=C1C=CS2 SY007980 [1,0,0,0,0,0|3,0,0]=4 88 B11R2.106 OC1=C2C=CNC2=NC=C1 SY056876 [1,0,0,0,0,0|2,0,0]=3 89 B11R2.106 OC1=C2CCCC2=NC=N1 SY016088 [1,0,0,0,0,0|2,0,1]=4 90 B11R2.106 OC1=C2N=NNC2=NC=N1 SY019936 [1,0,0,0,0,0|1,0,0]=2 91 B11R2.106 OC1=C2NN=CC2=NC=N1 SY029524 [1,0,0,0,0,0|2,0,0]=3 92 B11R2.106 OC1=C2OC=CC2=NC=N1 SY046329 [1,0,0,0,0,0|3,0,0]=4 93 B11R2.106 OC1=C2SC=CC2=NC=N1 SY006112 [1,0,0,0,0,0|3,0,0]=4 94 B11R2.106 OC1=CC=CC2=C1C=CN2 SY001960 [1,0,0,0,0,0|3,0,0]=4 95 B11R2.106 OC1=CC=CC2=C1C=NN2 SY005229 [1,0,0,0,0,0|2,0,0]=3 96 B11R2.106 OC1=NC=CC2=C1C=CS2 SY004852 [1,0,0,0,0,0|3,0,0]=4 97 B11R2.106 OC1=NC=NC2=C1C=CN2 SY007658 [1,0,0,0,0,0|1,0,0]=2 98 B11R2.106 OC1=NC=NC2=C1NC=N2 SY012477 [1,0,0,0,0,0|2,0,1]=4 99 B11R2.106 SC1=C2N=CNC2=NC=N1 SY036772 [1,0,0,0,0,0|2,1,0]=4 100 B13R2.623 COC1=CC(Br)=CC2=C1C=NN2 SY034731 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.3742 CC1=CC(Br)=C2C=NN(C)C2=N1 SY263190 [0,1,0,0,0,0|3,0,0]=4 102 B13R2.3742 CN1N=CC2=C1N=C(Cl)NC2=O SY036659 [0,1,0,0,0,0|1,0,2]=4 103 B13R2.5397 CC1=CC2=C(Cl)N=C(C)N=C2N1 SY233892 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.5397 CC1=CC2=C(Cl)N=C(Cl)N=C2N1 SY097025 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.5397 ClC1=NC(Cl)=C2C=C(I)NC2=N1 SY267084 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.5397 OC1=C2C=C(Br)SC2=NC(Cl)=N1 SY286657 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.11642 CC1=CSC2=NC(O)=NC(O)=C12 SY032631 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.11642 CC1=NC(O)=C2C(Br)=CSC2=N1 SY295755 [0,1,0,0,0,0|3,0,0]=4 109 B13R2.11642 ClC1=CNC2=NC(Cl)=NC(Cl)=C12 SY033472 [0,1,0,0,0,0|3,0,0]=4 110 B13R2.11642 ClC1=NC(Cl)=C2C(Br)=NNC2=N1 SY112658 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.11642 ClC1=NC(Cl)=C2C(I)=CNC2=N1 SY058440 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.34 CCNC1=NC(O)=NC(O)=N1 SY232256 [0,0,1,0,0,0|2,0,1]=4 113 B13R2.328 ClC1=NC(Cl)=C2C=CN=CC2=N1 SY009242 [0,0,0,0,0,1|3,0,0]=4 114 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 SY037068 [0,0,0,0,0,1|3,0,0]=4 115 B13R2.328 OC1=CC(O)=NC2=NC=CC=C12 SY226655 [0,0,0,0,0,1|2,0,1]=4 116 B13R2.328 OC1=NC2=C(N=CC=C2)C(O)=N1 SY011008 [0,0,0,0,0,1|2,0,0]=3 117 B10R1.22 NC1=NC(N)=C(Cl)C(O)=N1 SY253908 [1,0,1,0,0,0|2,0,0]=4 118 B10R1.22 NC1=NC(O)=C(Br)C(N)=N1 SY122397 [1,0,1,0,0,0|2,0,0]=4 119 B10R1.22 OC1=NC(O)=C(F)C(O)=N1 SY014804 [1,0,1,0,0,0|2,0,0]=4 120 B10R1.22 OC1=NC(O)=C(I)C(O)=N1 SY284740 [1,0,1,0,0,0|2,0,0]=4 121 B10R1.25 N#CC1=CN=C(O)N=C1N SY263317 [1,0,1,0,0,0|0,0,2]=4 122 B10R1.25 NC1=NC=C(C=O)C(N)=N1 SY065631 [1,0,1,0,0,0|2,0,0]=4 123 B10R1.245 NC1=NC=NC(Cl)=C1C=O SY045122 [1,0,1,0,0,0|2,0,0]=4 124 B10R1.245 NC1=NC=NC(N)=C1C=O SY261793 [1,0,1,0,0,0|2,0,0]=4 125 B10R2.7 C1=CC2=C(C=C1)NN=C2 SY001125 [2,0,0,0,0,0|2,0,0]=4 126 B10R2.7 C1=CC2=C(C=N1)C=NN2 SY028040 [2,0,0,0,0,0|1,0,0]=3 127 B10R2.7 C1=CC2=C(N=C1)NC=C2 SY001940 [2,0,0,0,0,0|2,0,0]=4 128 B10R2.7 C1=CC2=C(N=C1)NN=C2 SY005396 [2,0,0,0,0,0|1,0,0]=3 129 B10R2.7 C1=CC2=C(N=CN=C2)N1 SY022555 [2,0,0,0,0,0|1,0,0]=3 130 B10R2.7 C1=CC2=CN=CC=C2N1 SY009136 [2,0,0,0,0,0|2,0,0]=4 131 B10R2.7 C1=NC=C2C=NNC2=N1 SY009465 [2,0,0,0,0,0|0,0,0]=2 132 B12R2.44 COC1=CC2=C(C=C1)C=NN2 SY004109 [1,1,0,0,0,0|2,0,0]=4 133 B12R2.44 N#CC1=CC2=C(C=NN2)C=N1 SY299964 [1,1,0,0,0,0|2,0,0]=4 134 B12R2.44 OCC1=CC2=C(C=C1)C=NN2 SY035917 [1,1,0,0,0,0|2,0,0]=4 135 B12R2.100 CC1=CC2=C(C=C1O)NN=C2 SY119959 [1,1,0,0,0,0|2,0,0]=4 136 B12R2.132 CN1N=CC2=CC=C(N)N=C21 SY297678 [1,1,0,0,0,0|2,0,0]=4 137 B12R2.132 CN1N=CC2=CN=C(Cl)N=C21 SY266174 [1,1,0,0,0,0|1,0,0]=3 138 B12R2.612 CC1=CC=C2C(N)=NNC2=N1 SY021573 [1,1,0,0,0,0|2,0,0]=4 139 B12R2.612 CC1=CNC2=NC(Cl)=NC=C12 SY097846 [1,1,0,0,0,0|2,0,0]=4 140 B12R2.612 ClC1=CC=C2C(Br)=NNC2=N1 SY099575 [1,1,0,0,0,0|2,0,0]=4 141 B12R2.612 ClC1=NC=C2C(Br)=CNC2=N1 SY032430 [1,1,0,0,0,0|2,0,0]=4 142 B12R2.612 ClC1=NC=C2C(Br)=NNC2=N1 SY014870 [1,1,0,0,0,0|1,0,0]=3 143 B12R2.196 CN1C=CC2=C(Cl)N=CN=C21 SY067131 [1,1,0,0,0,0|2,0,0]=4 144 B12R2.196 CN1N=CC2=C(Cl)N=CN=C21 SY007121 [1,1,0,0,0,0|1,0,0]=3 145 B12R2.196 CN1N=CC2=C1N=CNC2=O SY027074 [1,1,0,0,0,0|0,0,2]=4 146 B12R2.202 CC1=CC2=C(Cl)N=CN=C2N1 SY011872 [1,1,0,0,0,0|2,0,0]=4 147 B12R2.202 ClC1=C2C=C(Br)NC2=NC=N1 SY023739 [1,1,0,0,0,0|2,0,0]=4 148 B12R2.202 ClC1=C2C=C(I)NC2=NC=N1 SY097908 [1,1,0,0,0,0|2,0,0]=4 149 B12R2.202 ClC1=CC2=C(Cl)N=CN=C2N1 SY006873 [1,1,0,0,0,0|2,0,0]=4 150 B12R2.203 ClC1=C2C(Br)=CNC2=NC=N1 SY013310 [1,1,0,0,0,0|2,0,0]=4 151 B12R2.203 ClC1=C2C(I)=CNC2=NC=N1 SY011869 [1,1,0,0,0,0|2,0,0]=4 152 B12R2.203 ClC1=NC=NC2=C1C(Br)=NN2 SY007219 [1,1,0,0,0,0|1,0,0]=3 153 B12R2.203 NC1=C2C(Br)=NNC2=NC=N1 SY030570 [1,1,0,0,0,0|1,0,0]=3 154 B12R2.203 NC1=C2C(I)=CNC2=NC=N1 SY097662 [1,1,0,0,0,0|2,0,0]=4 155 B12R2.203 NC1=NC=NC2=C1C(I)=NN2 SY007580 [1,1,0,0,0,0|1,0,0]=3 156 B12R2.315 CNC1=C2C=CNC2=NC=N1 SY098184 [1,1,0,0,0,0|2,0,0]=4 157 B12R2.315 COC1=CC=CC2=C1C=NN2 SY020405 [1,1,0,0,0,0|2,0,0]=4 158 B12R2.315 COC1=CC=NC2=C1C=CN2 SY033609 [1,1,0,0,0,0|2,0,0]=4 159 B12R2.315 N#CC1=C2C=CNC2=NC=N1 SY007620 [1,1,0,0,0,0|2,0,0]=4 160 B12R2.315 N#CC1=NC=CC2=C1C=NN2 SY293042 [1,1,0,0,0,0|2,0,0]=4 161 B12R2.315 OCC1=CC=CC2=C1C=NN2 SY027630 [1,1,0,0,0,0|2,0,0]=4 162 B12R2.1081 ClC1=C2C=CN=CC2=NC=N1 SY039396 [1,0,0,0,0,1|2,0,0]=4 163 B12R2.1081 NC1=NC=NC2=C1C=NC=N2 SY006526 [1,0,0,0,0,1|1,0,1]=4