0 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 BrCC1=NC=C(Br)C=N1 C71638 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.1 C#CC1=CN=C(Br)C=C1 68603 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.1 C#CC1=CN=C(Cl)C=C1 83979 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.1 C#CC1=CN=C(O)C=C1 O11429 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.1 C#CC1=NC=C(Br)C=C1 84355 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [0,0,0,0,0,0|0,0,2]=2 8 B9R1.1 C#CC1=NC=C(Cl)C=C1 84384 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.1 C#CC1=NC=C(Cl)C=C1 N13106 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.1 C#CC1=NC=C(N)C=C1 D83980 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.1 CC1=CN=C(C#N)N=C1 79424 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.1 CC1=CN=C(CCl)N=C1 27405 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.1 CC1=CN=C(CN)N=C1 38455 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.1 CC1=CN=C(CN)N=C1 72570 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.1 CC1=CN=C(CN)N=C1 W10072 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.1 CC1=CN=C(CO)C=N1 26144 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.1 CC1=CN=C(CO)N=C1 38636 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.1 CC1=NC=C(C#N)C=N1 81926 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.1 CC1=NC=C(CBr)C=N1 C76568 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.1 CC1=NC=C(CCl)C=N1 P16099 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.1 CC1=NC=C(CN)C=N1 81411 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.1 CC1=NN=C(C#N)C=C1 37499 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.1 CCC1=CN=C(N)C=N1 27455 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.1 CCC1=NC=C(N)C=N1 81903 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [0,0,0,0,0,0|1,0,0]=1 50 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.1 CNC1=NC=C(N)C=N1 AT18272 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.1 CNC1=NN=C(Br)C=C1 C10836 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.1 COC1=CN=C(F)C=C1 98092 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.1 COC1=CN=C(N)N=C1 11206 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.1 COC1=NC=C(I)C=N1 W11580 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.1 COC1=NC=C(N)C=N1 35336 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.1 COC1=NC=C(N)N=C1 24331 [0,0,0,0,0,0|2,0,0]=2 58 B9R1.1 COC1=NC=C(O)C=N1 C16680 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.1 COC1=NN=C(I)C=C1 C15088 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.1 CSC1=CN=C(Cl)N=C1 W16220 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.1 CSC1=NC=C(Cl)C=N1 63237 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.1 CSC1=NC=C(N)C=N1 31929 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.1 ClCC1=CN=C(Cl)N=C1 BL010347 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.1 ClCC1=NC=C(Cl)C=N1 P16603 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.1 ClCC1=NN=C(Cl)C=C1 C72652 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.1 ClCC1=NN=C(Cl)C=C1 P10986 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.1 N#CC1=NC=C(I)C=C1 78743 [0,0,0,0,0,0|3,0,1]=4 74 B9R1.1 N#CC1=NC=C(O)C=C1 24955 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [0,0,0,0,0,0|3,0,1]=4 76 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [0,0,0,0,0,0|2,0,1]=3 77 B9R1.1 NC1=NC=C(CCl)C=N1 AC2011 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [0,0,0,0,0,0|2,0,0]=2 82 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.1 NCC1=CN=C(N)N=C1 82158 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.1 NCC1=NC=C(Br)C=N1 C73142 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.1 NCC1=NC=C(Br)C=N1 CS1737 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.1 NCC1=NC=C(Br)C=N1 P15263 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.1 NCC1=NC=C(Cl)C=N1 F31001 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.1 NCC1=NC=C(F)C=N1 P11643 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,0,0,0,0,0|3,0,0]=3 95 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.1 NCC1=NN=C(Cl)C=C1 C76852 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.1 NNC1=CN=C(Cl)C=C1 H10944 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.1 NNC1=CN=C(F)C=C1 73802 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.1 NNC1=NC=C(F)C=C1 W17746 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.1 OC1=CN=C(CF)N=C1 72904 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.1 OCC1=CN=C(Cl)N=C1 BL010346 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.1 OCC1=NC=C(Cl)C=N1 P10956 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.1 OCC1=NC=C(F)C=N1 P11889 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.1 OCC1=NN=C(Cl)C=C1 P11311 [0,0,0,0,0,0|4,0,0]=4 107 B8R1.2 BrCC1=CN=CN=C1 O11299 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 BrCC1=NC=CN=C1 31757 [1,0,0,0,0,0|1,0,0]=2 109 B8R1.2 BrCC1=NC=NC=C1 Y10744 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 BrCC1=NN=CC=C1 27114 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.2 C#CC1=NC=CN=C1 P11646 [1,0,0,0,0,0|0,0,2]=3 112 B8R1.2 CCC1=NC=NC=C1 F17281 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.2 CNC1=CN=CN=C1 Y10181 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.2 CNC1=CN=NC=C1 A10648 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.2 CNC1=NC=NC=C1 W10133 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.2 COC1=NC=NC=C1 T72699 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 ClCC1=NC=CN=C1 37060 [1,0,0,0,0,0|1,0,0]=2 118 B8R1.2 ClCC1=NN=CC=C1 37063 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 N#CC1=NC=CC=C1 D77869 [1,0,0,0,0,0|2,0,1]=4 120 B8R1.2 NCC1=CC=CC=C1 RB3068 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.2 NCC1=CC=CN=N1 36976 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.2 NCC1=CC=CN=N1 AT13034 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.2 NCC1=CC=CN=N1 P15536 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.2 NCC1=CN=CN=C1 26963 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.2 NCC1=CN=NC=C1 27223 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.2 NCC1=CN=NC=C1 36975 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 NCC1=NC=CN=C1 67569 [1,0,0,0,0,0|1,0,0]=2 128 B8R1.2 NNC1=CC=CN=C1 S12141 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.2 OCC1=CN=NC=C1 37054 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.2 SCC1=CN=CC=C1 F18343 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.2 SCC1=NC=CC=C1 Y10072 [1,0,0,0,0,0|2,0,0]=3 132 B8R1.3 CC1=CC=C(C)N=N1 S11370 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.3 CC1=CN=C(Br)C=N1 88781 [1,0,0,0,0,0|1,0,0]=2 134 B8R1.3 CC1=CN=C(F)N=C1 F11686 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.3 CC1=CN=C(I)C=N1 W17940 [1,0,0,0,0,0|1,0,0]=2 136 B8R1.3 CC1=CN=C(N)C=N1 52044 [1,0,0,0,0,0|1,0,0]=2 137 B8R1.3 CC1=CN=C(N)N=C1 51196 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.3 CC1=CN=C(O)C=N1 84954 [1,0,0,0,0,0|1,0,0]=2 139 B8R1.3 CC1=NC=C(F)C=N1 O11437 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.3 CC1=NC=C(I)C=C1 C10582 [1,0,0,0,0,0|2,0,0]=3 141 B8R1.3 CC1=NC=C(O)C=N1 25911 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.3 FC1=CN=C(Br)C=N1 Y10496 [1,0,0,0,0,0|2,0,0]=3 143 B8R1.3 IC1=CN=C(I)C=N1 I11480 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.3 NC1=CN=C(N)C=N1 C14950 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.3 NC1=CN=C(N)C=N1 F20076 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.1 CC1=CN=C(CC#N)C=C1 C74949 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.1 CCOC1=CN=C(Br)C=N1 52691 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.1 CCOC1=CN=C(Br)N=C1 38793 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.1 COCC1=CC=C(O)C=C1 63646 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.1 COCC1=CN=C(Cl)N=C1 W10973 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.1 COCC1=NC=C(Br)C=N1 P14919 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.1 N#CCC1=CN=C(Br)C=C1 AB10135 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.1 N#CCC1=CN=C(F)C=C1 93599 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.1 N#CCC1=NC=C(N)C=C1 W17291 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.1 NNCC1=CN=C(Cl)C=C1 W16788 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.3 C#CC1=CN=C(CO)C=C1 AC2758 [0,1,0,0,0,0|1,0,2]=4 171 B10R1.3 C#CC1=NC=C(OC)C=C1 D84302 [0,1,0,0,0,0|1,0,2]=4 172 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.3 CNC1=CN=C(C#N)C=C1 O11307 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.3 CNC1=NC=C(C#N)C=C1 88567 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [0,1,0,0,0,0|1,0,1]=3 177 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.3 COC1=CN=C(CCl)C=N1 F30446 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.3 COC1=CN=C(CO)N=C1 F30447 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.3 COC1=NC=C(CN)C=N1 P10610 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.3 COC1=NC=C(CO)C=N1 P11192 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.3 COC1=NC=C(CO)N=C1 F30445 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.3 COC1=NC=C(NN)C=C1 F13050 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.3 COC1=NN=C(CO)C=C1 P11745 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.3 COC1=NN=C(OC)C=C1 C75238 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.3 CSC1=CN=C(SC)N=C1 W16219 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.3 CSC1=NC=C(CO)C=N1 S10007 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.3 N#CC1=CN=C(CCl)C=C1 P11633 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.3 N#CC1=CN=C(CN)C=C1 P16132 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.3 N#CC1=CN=C(CN)C=C1 W18493 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.3 N#CC1=CN=C(CO)C=C1 36548 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.3 N#CC1=NC=C(CCl)C=C1 C71847 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.3 N#CC1=NC=C(CN)C=C1 AB1091 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.3 NCC1=CC=C(CBr)C=C1 54465 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.3 NCC1=CC=C(CCl)C=C1 51899 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.3 SCC1=CC=C(CS)C=C1 T70041 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,1,0,0,0,0|0,0,1]=2 203 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,1,0,0,0,0|1,0,1]=3 206 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.13 CC(C)C1=NN=C(Br)C=C1 Y11125 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [0,1,0,0,0,0|0,0,0]=1 217 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,1,0,0,0,0|0,0,0]=1 219 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT24774 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C15764 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.13 CN(C)C1=CN=C(N)C=C1 N10123 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91193 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Y10520 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.13 C[C@H](O)C1=CN=C(Cl)N=C1 P15879 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.13 C[C@H](O)C1=NC=C(F)C=N1 F52098 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 W17842 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 D80116 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.13 NC1=CN=C(C(F)F)C=C1 O11506 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.13 NC1=CN=C(C(F)F)C=C1 W11082 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.13 NC1=CN=C(C(F)F)C=N1 D84905 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.13 OC1=CN=C(C(F)F)C=C1 D92853 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.25 C#CC1=C(F)C=C(C)C=N1 D79797 [0,1,0,0,0,0|1,0,2]=4 272 B10R1.25 CC1=C(C#N)N=CC(Cl)=N1 BL010403 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.25 CC1=C(CN)C=CC(N)=N1 D93406 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 D96976 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.25 CC1=CC(Br)=C(CN)C=C1 W19042 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.25 CC1=CC(Br)=C(CN)N=C1 24111 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.25 CC1=CC(Br)=C(CO)N=C1 D96975 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.25 CC1=CC(Br)=CN=C1CCl 79673 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.25 CC1=CC(Br)=CN=C1CN 24121 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.25 CC1=CC(C)=C(C=O)C=N1 C14259 [0,1,0,0,0,0|2,0,1]=4 282 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.25 CC1=CC(Cl)=C(C#N)C=N1 O11222 [0,1,0,0,0,0|2,0,1]=4 284 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 N12896 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.25 CC1=CC(Cl)=CN=C1CN 24127 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.25 CC1=CC(N)=C(CO)C=N1 C72979 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 C77257 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 W17836 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.25 CC1=CN=C(CN)C(C)=C1 D83303 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.25 CC1=NC(N)=CN=C1C#N BL010402 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.25 CC1=NC=C(CN)C(N)=N1 33128 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.25 CCC1=NC=C(Br)C=C1N 38360 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.25 CCC1=NC=C(Cl)N=C1Cl C72268 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.25 CNC1=NC=C(Br)C=C1N C77013 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.25 COC1=C(Br)C=C(Cl)N=C1 S10226 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.25 COC1=C(C)N=C(C)N=C1 O11463 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [0,1,0,0,0,0|2,0,0]=3 308 B10R1.25 COC1=C(Cl)C=C(N)N=C1 37736 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.25 COC1=C(Cl)N=C(I)C=C1 72074 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.25 COC1=C(F)C=C(N)C=N1 27254 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.25 COC1=C(F)N=C(Br)C=C1 CS1206 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.25 COC1=C(I)C=C(Br)C=N1 C75707 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.25 COC1=C(I)C=C(Cl)N=C1 S10146 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.25 COC1=C(N)N=C(Cl)C=N1 C91504 [0,1,0,0,0,0|2,0,0]=3 316 B10R1.25 COC1=C(N)N=C(F)C=C1 D70935 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.25 COC1=CC=C(Br)N=C1Br 79976 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.25 COC1=CC=C(C)N=C1I F30133 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.25 COC1=CC=C(Cl)N=C1Br C72025 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.25 COC1=CC=C(Cl)N=C1Cl 81824 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.25 COC1=CC=C(Cl)N=C1I 82334 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.25 COC1=CC=C(N)N=C1Cl F19661 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.25 COC1=CN=C(Br)C=C1Cl F16734 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.25 COC1=CN=C(Br)C=C1N AC1554 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.25 COC1=CN=C(Br)C=C1O AT23971 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.25 COC1=CN=C(C)N=C1Cl F30537 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.25 COC1=CN=C(Cl)C=C1N C71879 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.25 COC1=NC=C(Cl)C=C1N E70381 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.25 COC1=NC=C(Cl)N=C1Cl W12644 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.25 COC1=NC=C(F)C=C1C C76918 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.25 COC1=NC=C(F)C=C1N C71761 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.25 COC1=NC=C(F)C=C1O S10276 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.25 CSC1=C(F)N=C(F)C=C1 D79861 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.25 CSC1=NC=C(Cl)N=C1Cl 38290 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.25 ClCC1=CC=C(Cl)N=C1Cl F19959 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.25 ClCC1=CN=C(Cl)C=C1Cl F12172 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.25 FC1=CC(Br)=CN=C1CCl 52169 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.25 FC1=CC(Cl)=C(CCl)N=C1 BL010215 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.25 FC1=CC(Cl)=CN=C1CCl BL010224 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.25 FC1=CN=C(CBr)C(F)=C1 F18562 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.25 FC1=CN=C(CCl)C(F)=C1 P11155 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.25 N#CC1=C(N)N=C(Cl)C=N1 D79757 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.25 N#CC1=NC=C(N)N=C1Cl W17942 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.25 NC1=C(CO)C=CC(Br)=N1 97230 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.25 NC1=CC(Br)=CN=C1CO 39153 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.25 NCC1=C(Br)C=C(Cl)C=N1 87902 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.25 NCC1=C(Br)C=C(F)C=N1 D79768 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.25 NCC1=NC=C(Br)C=C1Cl AT10811 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.25 NCC1=NC=C(Cl)C=C1F 24125 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.25 NNC1=C(Cl)N=C(Br)C=N1 BL010274 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.25 O=CC1=NC=C(Cl)N=C1Cl H10986 [0,1,0,0,0,0|2,0,1]=4 353 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 BL010228 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.25 OCC1=C(Cl)C=C(F)C=N1 BL010214 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.25 OCC1=C(F)C=C(F)C=N1 78724 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.25 OCC1=C(F)N=C(Cl)C=C1 D70022 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.25 OCC1=CC=C(Br)N=C1Br C75600 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.25 OCC1=NC=C(Br)C=C1Cl 97688 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 CS1689 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.176 CC1=C(Br)C=C(CO)N=C1 AC5138 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.176 CC1=C(Br)C=C(CO)N=C1 F31019 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.176 CC1=C(Br)C=CC(CO)=N1 91337 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.176 CC1=C(Br)C=NC(CN)=C1 D79769 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.176 CC1=C(Cl)C=C(C#N)C=N1 79582 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.176 CC1=C(N)N=CC(C#N)=N1 BL010404 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.176 CC1=CC(C#N)=CN=C1C 72102 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.176 CC1=CC(CN)=CN=C1Cl D79766 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.176 CC1=CC=C(C#N)N=C1Cl AC2147 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.176 CC1=NC(C#N)=CN=C1Cl BL010405 [0,1,0,0,0,0|2,0,1]=4 370 B10R1.176 CC1=NC=C(C#N)C=C1N C74692 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [0,1,0,0,0,0|2,0,0]=3 374 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 C72403 [0,1,0,0,0,0|2,0,0]=3 379 B10R1.176 COC1=CC(Br)=C(C)C=N1 P20929 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [0,1,0,0,0,0|2,0,0]=3 381 B10R1.176 COC1=CC(Br)=C(Cl)C=N1 C71758 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.176 COC1=CC(Br)=C(Cl)N=C1 C14046 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.176 COC1=CC(Br)=C(F)C=N1 F12224 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.176 COC1=CC(Cl)=C(Br)C=N1 25841 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.176 COC1=CC(Cl)=C(I)C=N1 W10502 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.176 COC1=CC(F)=C(N)C=N1 D94273 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.176 COC1=CC(F)=C(N)N=C1 C71770 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.176 COC1=CC(I)=C(Cl)C=N1 S10269 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.176 COC1=CC(I)=C(F)C=N1 22601 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.176 COC1=CC(O)=C(F)C=N1 79067 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.176 COC1=CC=C(Br)C(Br)=N1 S10112 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 C76674 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.176 COC1=CN=C(Br)C(F)=C1 D83224 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.176 COC1=CN=C(Br)C(N)=C1 24981 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C76383 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.176 COC1=CN=C(Cl)C(N)=N1 C72387 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.176 COC1=NC(C)=C(N)N=C1 D82743 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.176 COC1=NC(Cl)=C(Br)C=C1 C76489 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.176 COC1=NC(F)=C(Br)C=C1 S10193 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.176 COC1=NC(N)=C(Br)C=C1 C75397 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.176 COC1=NC(N)=C(Cl)C=C1 O10989 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.176 COC1=NC=C(C)C(Cl)=N1 D70586 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.176 COC1=NC=C(C)C(N)=C1 C72054 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.176 COC1=NC=C(N)C(N)=C1 29189 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.176 CSC1=CN=C(Br)C(F)=C1 D79863 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.176 CSC1=CN=C(Cl)C(C)=C1 D79862 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 38289 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 26737 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.176 ClC1=C(I)C=C(CBr)C=N1 C77062 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.176 ClCC1=NC(Cl)=C(Br)C=C1 D79873 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.176 FC1=CC(CCl)=CN=C1Cl D84735 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.176 FC1=CC=C(CCl)N=C1Br D79887 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.176 NCC1=CC=C(Cl)C(Cl)=N1 Y13179 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.176 NCC1=CN=C(Cl)C(F)=C1 Y12730 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.176 NCC1=NC(Cl)=C(Br)C=C1 C73424 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.176 OCC1=CC(Cl)=C(F)C=N1 P10865 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.176 OCC1=CC(I)=C(Cl)N=C1 C72451 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.176 OCC1=CN=C(Cl)C(Cl)=C1 89008 [0,1,0,0,0,0|3,0,0]=4 419 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [0,0,0,1,0,0|3,0,0]=4 420 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [0,0,0,1,0,0|3,0,0]=4 421 B8R1.1 BrCC1=CN=C(Br)S1 24688 [0,0,0,0,1,0|3,0,0]=4 422 B8R1.1 BrCC1=NC(Br)=NO1 C77501 [0,0,0,0,1,0|3,0,0]=4 423 B8R1.1 C#CC1=CN(C)N=C1 65015 [0,0,0,0,1,0|1,0,2]=4 424 B8R1.1 C#CC1=CSC(C)=N1 32023 [0,0,0,0,1,0|1,0,2]=4 425 B8R1.1 C#CC1=NN(C)C=N1 E70330 [0,0,0,0,1,0|1,0,2]=4 426 B8R1.1 CC1=CC(C#N)=NN1 25520 [0,0,0,0,1,0|2,0,1]=4 427 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,0,0,0,1,0|2,0,1]=4 428 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,0,0,0,1,0|2,0,0]=3 429 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,0,0,0,1,0|2,0,0]=3 430 B8R1.1 CC1=CC=C(CN)S1 71266 [0,0,0,0,1,0|3,0,0]=4 431 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,0,0,0,1,0|3,0,0]=4 432 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,0,0,0,1,0|2,0,1]=4 433 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,0,0,0,1,0|1,0,1]=3 434 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,0,0,0,1,0|2,0,0]=3 435 B8R1.1 CC1=CNC(C#N)=N1 O11258 [0,0,0,0,1,0|1,0,2]=4 436 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,0,0,0,1,0|1,0,2]=4 437 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,0,0,0,1,0|1,0,2]=4 438 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,0,0,0,1,0|2,0,1]=4 439 B8R1.1 CC1=CSC(CCl)=N1 W16105 [0,0,0,0,1,0|2,0,0]=3 440 B8R1.1 CC1=CSC(CO)=N1 78422 [0,0,0,0,1,0|2,0,0]=3 441 B8R1.1 CC1=NC(C#N)=CS1 24243 [0,0,0,0,1,0|2,0,1]=4 442 B8R1.1 CC1=NC(C=O)=NO1 F13848 [0,0,0,0,1,0|2,0,1]=4 443 B8R1.1 CC1=NC(CBr)=CS1 C76311 [0,0,0,0,1,0|2,0,0]=3 444 B8R1.1 CC1=NC(CBr)=NO1 F13555 [0,0,0,0,1,0|2,0,0]=3 445 B8R1.1 CC1=NC(CCl)=NO1 C71636 [0,0,0,0,1,0|2,0,0]=3 446 B8R1.1 CC1=NC(CN)=NO1 72162 [0,0,0,0,1,0|2,0,0]=3 447 B8R1.1 CC1=NC(CO)=CN1 22905 [0,0,0,0,1,0|1,0,1]=3 448 B8R1.1 CC1=NC=C(C#N)S1 F13465 [0,0,0,0,1,0|2,0,1]=4 449 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,0,0,0,1,0|2,0,1]=4 450 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,0,0,0,1,0|2,0,0]=3 451 B8R1.1 CC1=NC=C(CN)S1 72160 [0,0,0,0,1,0|2,0,0]=3 452 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,0,0,0,1,0|2,0,0]=3 453 B8R1.1 CC1=NN=C(CN)N1 AT12331 [0,0,0,0,1,0|2,0,1]=4 454 B8R1.1 CC1=NN=C(CN)S1 F30252 [0,0,0,0,1,0|3,0,0]=4 455 B8R1.1 CC1=NN=C(CO)S1 F13044 [0,0,0,0,1,0|3,0,0]=4 456 B8R1.1 CC1=NNC(CO)=C1 71135 [0,0,0,0,1,0|2,0,0]=3 457 B8R1.1 CC1=NNC(CO)=N1 W19133 [0,0,0,0,1,0|2,0,0]=3 458 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,0,0,0,1,0|2,0,0]=3 459 B8R1.1 CC1=NOC(CN)=C1 20228 [0,0,0,0,1,0|2,0,0]=3 460 B8R1.1 CC1=NOC(CN)=N1 S10792 [0,0,0,0,1,0|2,0,0]=3 461 B8R1.1 CCC1=CC(N)=NO1 71263 [0,0,0,0,1,0|2,0,0]=3 462 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,0,0,0,1,0|2,0,0]=3 463 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,0,1,0|2,0,0]=3 464 B8R1.1 CCC1=CN=C(N)S1 84403 [0,0,0,0,1,0|2,0,0]=3 465 B8R1.1 CCN1C=C(O)C=N1 AT11883 [0,0,0,0,1,0|2,0,0]=3 466 B8R1.1 CN1C=C(CCl)C=N1 71934 [0,0,0,0,1,0|2,0,0]=3 467 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,0,0,0,1,0|3,0,0]=4 468 B8R1.1 CN1C=NC(C#N)=C1 P10362 [0,0,0,0,1,0|2,0,1]=4 469 B8R1.1 CN1C=NC(C#N)=N1 91783 [0,0,0,0,1,0|2,0,1]=4 470 B8R1.1 CN1C=NC(C=O)=N1 D82935 [0,0,0,0,1,0|2,0,1]=4 471 B8R1.1 CN1C=NC(CCl)=N1 29909 [0,0,0,0,1,0|2,0,0]=3 472 B8R1.1 CN1C=NC(CN)=C1 38318 [0,0,0,0,1,0|2,0,0]=3 473 B8R1.1 CN1C=NC(CN)=C1 82874 [0,0,0,0,1,0|2,0,0]=3 474 B8R1.1 CN1C=NC(CO)=N1 26175 [0,0,0,0,1,0|2,0,0]=3 475 B8R1.1 CNC1=CN(C)N=C1 S10801 [0,0,0,0,1,0|2,0,0]=3 476 B8R1.1 CNC1=CN(C)N=C1 W19310 [0,0,0,0,1,0|2,0,0]=3 477 B8R1.1 CNC1=NC(Br)=CS1 A11743 [0,0,0,0,1,0|3,0,0]=4 478 B8R1.1 CNC1=NC(C)=NS1 72649 [0,0,0,0,1,0|2,0,0]=3 479 B8R1.1 CNC1=NN=C(C)S1 71271 [0,0,0,0,1,0|3,0,0]=4 480 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,0,0,0,1,0|2,0,0]=3 481 B8R1.1 COC1=NC=C(Br)S1 78090 [0,0,0,0,1,0|3,0,0]=4 482 B8R1.1 COC1=NOC(N)=C1 D82563 [0,0,0,0,1,0|3,0,0]=4 483 B8R1.1 CSC1=CN=C(N)S1 C77378 [0,0,0,0,1,0|3,0,0]=4 484 B8R1.1 CSC1=NN=C(C)S1 D80857 [0,0,0,0,1,0|3,0,0]=4 485 B8R1.1 CSC1=NNC(N)=C1 75644 [0,0,0,0,1,0|3,0,0]=4 486 B8R1.1 NC1=NC(CO)=NN1 52868 [0,0,0,0,1,0|3,0,0]=4 487 B8R1.1 NC1=NNC(CO)=C1 P10905 [0,0,0,0,1,0|3,0,0]=4 488 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [0,0,0,0,1,0|3,0,0]=4 489 B8R1.1 NCC1=CN=C(Br)S1 C13963 [0,0,0,0,1,0|3,0,0]=4 490 B8R1.1 NCC1=CN=C(Br)S1 S11077 [0,0,0,0,1,0|3,0,0]=4 491 B8R1.1 NCC1=CSC(Br)=C1 P11133 [0,0,0,0,1,0|3,0,0]=4 492 B8R1.1 NCC1=NC(Br)=CS1 22984 [0,0,0,0,1,0|3,0,0]=4 493 B8R1.1 NCC1=NC(Br)=CS1 68978 [0,0,0,0,1,0|3,0,0]=4 494 B8R1.1 NCC1=NC=C(Br)S1 37716 [0,0,0,0,1,0|3,0,0]=4 495 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,0,0,0,1,0|3,0,0]=4 496 B8R1.1 OCC1=CSC(Cl)=C1 37630 [0,0,0,0,1,0|3,0,0]=4 497 B8R1.1 OCC1=NC=C(Br)S1 37717 [0,0,0,0,1,0|3,0,0]=4 498 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [0,0,0,0,1,0|3,0,0]=4 499 B8R1.1 OCC1=NNC(Br)=C1 P17372 [0,0,0,0,1,0|3,0,0]=4 500 B7R1.3 CC1=NC=CN=N1 C74235 [2,0,0,0,0,0|1,0,0]=3 501 B7R1.3 ClC1=CN=CC=C1 P19758 [2,0,0,0,0,0|2,0,0]=4 502 B7R1.3 SC1=NC=CN=C1 F16108 [2,0,0,0,0,0|1,0,0]=3 503 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.2 CC1=CC(CN)=NC=C1 72801 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.2 CC1=CC(CN)=NC=C1 78899 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [1,1,0,0,0,0|1,0,1]=4 508 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.2 CC1=CN=CC(CN)=C1 72799 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [1,1,0,0,0,0|1,0,0]=3 513 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [1,1,0,0,0,0|0,0,0]=2 517 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [1,1,0,0,0,0|1,0,0]=3 518 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 CNC1=NC(C)=CN=C1 74811 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 CNC1=NC=CC(N)=C1 27435 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 COC1=NC(N)=CN=C1 24364 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 N#CC1=CN=CC(Br)=N1 26949 [1,1,0,0,0,0|1,0,1]=4 533 B9R1.2 N#CC1=NC(N)=CN=C1 24341 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.2 NC1=CC(CO)=CN=C1 20770 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 NCC1=CC=CC(F)=N1 25846 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,1,0,0,0,0|1,0,1]=4 548 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,1,0,0,0,0|1,0,1]=4 553 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [1,1,0,0,0,0|0,0,0]=2 568 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,1,0,0,0,0|1,0,0]=3 570 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [1,1,0,0,0,0|0,0,0]=2 574 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.8 CNCC1=CN=NC=C1 P16258 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.8 CNCC1=NC=CC=N1 W11490 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.8 N#CCC1=NC=CN=C1 50051 [1,1,0,0,0,0|0,0,1]=3 579 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,1,0,0,0,0|0,0,0]=2 581 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.8 NNCC1=CC=CN=C1 78930 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.8 NNCC1=NC=CC=C1 78929 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.8 NNCC1=NC=CN=C1 37235 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.8 OCCC1=CN=CN=C1 27368 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.15 C#CC1=NC=CN=C1C 79091 [1,1,0,0,0,0|0,0,2]=4 590 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.15 CC1=C(CO)C=NC=C1 38669 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.15 CC1=CC=CN=C1CN C72913 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.15 CC1=NC=CC=C1CN 72802 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.15 CC1=NC=CC=C1CN AB7634 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.15 CC1=NC=CN=C1CCl P11784 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.15 CC1=NC=CN=C1CN E70300 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.15 CC1=NC=CN=C1CN P19746 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.15 CC1=NC=CN=C1CO P10784 [1,1,0,0,0,0|1,0,0]=3 602 B9R1.15 CC1=NC=CN=C1NN BL010270 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.15 CCC1=CC=CN=C1N 55791 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.15 CCC1=CC=NN=C1Cl S11385 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 CCC1=NC=CN=C1N RB3385 [1,1,0,0,0,0|0,0,0]=2 611 B9R1.15 CCC1=NC=CNC1=O S12194 [1,1,0,0,0,0|0,0,1]=3 612 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 CNC1=CC=CN=C1N 94808 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 CNC1=NC=CC=C1N 72351 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 CNC1=NC=CN=C1N 25161 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.15 COC1=C(Br)C=CN=C1 26564 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 COC1=C(I)C=CN=C1 D82954 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 COC1=C(N)C=CN=C1 35474 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 COC1=NC=CC=C1C C73664 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 COC1=NC=CN=C1Br 27717 [1,1,0,0,0,0|1,0,0]=3 622 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 FC1=CC=CN=C1CBr 38126 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 FC1=CC=CN=C1CCl AC1446 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 NC1=C(CO)C=NC=C1 28348 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 NC1=CC=CN=C1CO H10562 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 NC1=NC=CN=C1C=O 27460 [1,1,0,0,0,0|1,0,1]=4 633 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.15 NCC1=C(F)C=CC=N1 37501 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 NCC1=C(F)C=CC=N1 71993 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 NCC1=CC=CN=C1Br D82416 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.15 NCC1=CC=CN=C1Cl 51113 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 NCC1=CC=CN=C1N 89358 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.15 NCC1=CC=CN=C1O 55767 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.15 NCC1=NC=CC=C1N AC4283 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.15 NCC1=NC=CN=C1N AB3037 [1,1,0,0,0,0|1,0,0]=3 647 B9R1.15 O=CC1=NC=CN=C1Br P14054 [1,1,0,0,0,0|1,0,1]=4 648 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [1,1,0,0,0,0|1,0,1]=4 649 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.15 OCC1=NC=CN=C1Cl 80497 [1,1,0,0,0,0|1,0,0]=3 652 B9R1.69 CC1=C(Br)C=C(F)C=N1 22786 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.69 CC1=C(Br)C=C(F)N=C1 C14400 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.69 CC1=C(Br)C=C(N)N=C1 72100 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.69 CC1=C(C)N=C(Br)C=N1 Y10500 [1,1,0,0,0,0|1,0,0]=3 656 B9R1.69 CC1=C(C)N=C(Cl)C=N1 Y10049 [1,1,0,0,0,0|1,0,0]=3 657 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.69 CC1=C(C)N=C(O)C=N1 C75680 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.69 CC1=C(Cl)C=C(N)N=C1 C71138 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.69 CC1=C(Cl)C=C(O)C=N1 94607 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.69 CC1=C(F)C=C(N)C=N1 D70662 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.69 CC1=C(I)C=C(N)N=C1 72489 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.69 CC1=C(N)N=CC(Cl)=N1 P10837 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.69 CC1=CC(Br)=C(Br)C=N1 A51123 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.69 CC1=CC(Br)=C(C)C=N1 N13082 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.69 CC1=CC(Br)=C(C)N=C1 P10110 [1,1,0,0,0,0|1,0,0]=3 667 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17115 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17937 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.69 CC1=CC(Br)=C(F)C=N1 C71771 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.69 CC1=CC(Br)=C(O)C=N1 53715 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.69 CC1=CC(C)=C(Br)C=N1 W18180 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 39191 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.69 CC1=CC(Cl)=C(C)C=N1 O11204 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.69 CC1=CC(Cl)=C(F)C=N1 P20444 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.69 CC1=CC(Cl)=C(F)N=C1 O10975 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.69 CC1=CC(Cl)=C(N)C=N1 F52035 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.69 CC1=CC(I)=C(N)N=C1 I10161 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.69 CC1=CC(N)=C(Br)C=N1 24320 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.69 CC1=CC(N)=C(Cl)C=N1 AC2062 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.69 CC1=CC(N)=C(F)C=N1 31394 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.69 CC1=CC(N)=C(I)C=N1 C76714 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.69 CC1=CC(O)=C(Br)C=N1 C72039 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.69 CC1=CC(O)=CN=C1C W19117 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.69 CC1=CC=C(N)C(I)=N1 C71773 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.69 CC1=CC=C(N)N=C1N N13200 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.69 CC1=CC=C(O)C(Cl)=N1 35292 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.69 CC1=CN=C(Br)C=C1Br F11640 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.69 CC1=CN=C(Br)C=C1Cl F11669 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.69 CC1=CN=C(Br)C=C1F D70629 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.69 CC1=CN=C(Br)C=C1N 79079 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.69 CC1=CN=C(C)C(I)=N1 W18438 [1,1,0,0,0,0|0,0,0]=2 692 B9R1.69 CC1=CN=C(C)C(N)=C1 P11581 [1,1,0,0,0,0|1,0,0]=3 693 B9R1.69 CC1=CN=C(C)C(N)=N1 26305 [1,1,0,0,0,0|0,0,0]=2 694 B9R1.69 CC1=CN=C(C)C=C1N W13730 [1,1,0,0,0,0|1,0,0]=3 695 B9R1.69 CC1=CN=C(C)N=C1Cl C16332 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.69 CC1=CN=C(C)N=C1N 32026 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.69 CC1=CN=C(Cl)C(Br)=N1 D79794 [1,1,0,0,0,0|1,0,0]=3 698 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 O10568 [1,1,0,0,0,0|1,0,0]=3 699 B9R1.69 CC1=CN=C(Cl)C(N)=N1 N13219 [1,1,0,0,0,0|1,0,0]=3 700 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C77105 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.69 CC1=CN=C(F)C(O)=C1 79064 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.69 CC1=CN=C(F)C=C1N D83156 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.69 CC1=CN=C(I)C(C)=C1 72078 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.69 CC1=CN=C(I)C(C)=N1 D71968 [1,1,0,0,0,0|1,0,0]=3 705 B9R1.69 CC1=CN=C(N)C(=O)N1 C75150 [1,1,0,0,0,0|1,0,1]=4 706 B9R1.69 CC1=CN=C(N)C(C)=C1 S10186 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.69 CC1=CN=C(N)C=C1C F18079 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.69 CC1=NC(Cl)=CN=C1Br 24195 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.69 CC1=NC(N)=C(I)C=C1 65855 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.69 CC1=NC(N)=C(O)C=C1 25163 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.69 CC1=NC(N)=CN=C1Br 26530 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.69 CC1=NC(N)=CN=C1Cl P10838 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.69 CC1=NC(O)=CN=C1Br E70426 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.69 CC1=NC=C(Br)C=C1O 24970 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.69 CC1=NC=C(Cl)N=C1Cl 84118 [1,1,0,0,0,0|1,0,0]=3 716 B9R1.69 CC1=NC=C(F)C=C1N D96784 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.69 CC1=NC=C(N)N=C1Br Y10498 [1,1,0,0,0,0|1,0,0]=3 718 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 I10188 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.69 ClC1=NC(Br)=CN=C1Br I11306 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.69 NC1=C(Cl)N=CC(Br)=N1 26529 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.69 NC1=C(N)N=C(Cl)C=N1 N13199 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.69 NC1=C(S)N=CC(Cl)=N1 92331 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.69 NC1=C([S-])N=CC(Cl)=N1 AT21629 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.69 NC1=CN=C(Br)C(Br)=N1 C72407 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.69 NC1=CN=C(I)C(Cl)=N1 W15257 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.69 NC1=NC(Cl)=CN=C1Cl C10162 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.69 NC1=NC=C(Br)N=C1I F16396 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.69 OC1=CN=C(Br)C(Cl)=N1 P18868 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,1,0,0,1,0|2,0,0]=4 730 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,0,1,0|2,0,0]=4 731 B9R1.7 CC1=NC(CC#N)=NN1 F13322 [0,1,0,0,1,0|1,0,1]=4 732 B9R1.7 CC1=NC(CCN)=NO1 72552 [0,1,0,0,1,0|1,0,0]=3 733 B9R1.7 CCCC1=NC(I)=CN1 W16409 [0,1,0,0,1,0|1,0,1]=4 734 B9R1.7 CCCN1C=C(N)C=N1 D82823 [0,1,0,0,1,0|2,0,0]=4 735 B9R1.7 CCOC1=CC(N)=NO1 31468 [0,1,0,0,1,0|2,0,0]=4 736 B9R1.7 CN1C=C(CCN)C=N1 AC1366 [0,1,0,0,1,0|1,0,0]=3 737 B9R1.7 CN1C=NC(CCN)=C1 P10213 [0,1,0,0,1,0|1,0,0]=3 738 B9R1.7 COCC1=CC(N)=NN1 P13383 [0,1,0,0,1,0|2,0,0]=4 739 B9R1.7 NC1=CN(CCO)N=C1 50515 [0,1,0,0,1,0|2,0,0]=4 740 B9R1.7 NC1=NNC(CCO)=C1 F52237 [0,1,0,0,1,0|2,0,0]=4 741 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [0,1,0,0,1,0|2,0,0]=4 742 B9R1.7 OCCN1C=C(Br)C=N1 24184 [0,1,0,0,1,0|2,0,0]=4 743 B9R1.7 OCCN1C=C(I)C=N1 53615 [0,1,0,0,1,0|2,0,0]=4 744 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [0,1,0,0,1,0|1,0,1]=4 745 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [0,1,0,0,1,0|0,0,2]=4 746 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [0,1,0,0,1,0|1,0,1]=4 747 B9R1.21 CCC1=NOC(C=O)=C1 D79227 [0,1,0,0,1,0|1,0,1]=4 748 B9R1.21 CCC1=NOC(CO)=C1 D78962 [0,1,0,0,1,0|1,0,0]=3 749 B9R1.21 CCN1C=C(CO)C=N1 71382 [0,1,0,0,1,0|1,0,0]=3 750 B9R1.21 CCN1C=NC(C=O)=C1 AT15572 [0,1,0,0,1,0|1,0,1]=4 751 B9R1.21 OCC1=CC(CO)=NN1 F11497 [0,1,0,0,1,0|2,0,0]=4 752 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,1,0,0,1,0|2,0,0]=4 753 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,1,0,0,1,0|2,0,0]=4 754 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,1,0,0,1,0|2,0,0]=4 755 B9R1.22 CC1=NC(CO)=C(Br)S1 W18069 [0,1,0,0,1,0|2,0,0]=4 756 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,1,0,0,1,0|2,0,0]=4 757 B9R1.22 CC1=NN(C)C(CCl)=C1 W10400 [0,1,0,0,1,0|2,0,0]=4 758 B9R1.22 CC1=NN(C)C(CN)=C1 P10233 [0,1,0,0,1,0|2,0,0]=4 759 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [0,1,0,0,1,0|2,0,0]=4 760 B9R1.23 CC1=CC(CCl)=NN1C 38503 [0,1,0,0,1,0|2,0,0]=4 761 B9R1.23 CCC1=NC(C)=C(Br)S1 C76798 [0,1,0,0,1,0|1,0,0]=3 762 B9R1.23 CCN1C=C(C)C(N)=N1 P18700 [0,1,0,0,1,0|1,0,0]=3 763 B9R1.23 CCN1C=C(N)C(C)=N1 D79752 [0,1,0,0,1,0|2,0,0]=4 764 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,0,1,0|0,0,2]=4 765 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,0,1,0|1,0,1]=4 766 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,1,0,0,1,0|1,0,1]=4 767 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,0,1,0|1,0,1]=4 768 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,1,0,0,1,0|1,0,1]=4 769 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,1,0,0,1,0|1,0,1]=4 770 B9R1.35 CC(C)C1=CN=C(Br)S1 27295 [0,1,0,0,1,0|2,0,0]=4 771 B9R1.35 CC(C)C1=CN=C(N)S1 84416 [0,1,0,0,1,0|2,0,0]=4 772 B9R1.35 CC(C)C1=CSC(N)=N1 29941 [0,1,0,0,1,0|2,0,0]=4 773 B9R1.35 CC(C)N1C=C(O)C=N1 Y11650 [0,1,0,0,1,0|2,0,0]=4 774 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,1,0,0,1,0|0,0,1]=3 775 B9R1.35 CC1=NN=C(C(C)C)N1 A12905 [0,1,0,0,1,0|1,0,1]=4 776 B9R1.35 CC1=NOC([C@H](C)N)=N1 70858 [0,1,0,0,1,0|1,0,0]=3 777 B9R1.35 CC1=NOC([C@H](C)N)=N1 70930 [0,1,0,0,1,0|1,0,0]=3 778 B9R1.35 C[C@H](N)C1=CC(Br)=CS1 D81119 [0,1,0,0,1,0|2,0,0]=4 779 B9R1.35 C[C@H](N)C1=CN(C)N=C1 79129 [0,1,0,0,1,0|1,0,0]=3 780 B9R1.35 C[C@H](N)C1=CN(C)N=C1 P10329 [0,1,0,0,1,0|1,0,0]=3 781 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 38491 [0,1,0,0,1,0|2,0,0]=4 782 B9R1.132 CC1=C(CO)N=CN1C 70857 [0,1,0,0,1,0|2,0,0]=4 783 B9R1.132 CCC1=C(Cl)C(N)=NN1 W19615 [0,1,0,0,1,0|2,0,0]=4 784 B9R1.132 CCN1N=CC(N)=C1C D79758 [0,1,0,0,1,0|2,0,0]=4 785 B9R1.132 CN1N=CC(CO)=C1Br 97715 [0,1,0,0,1,0|2,0,0]=4 786 B9R1.132 CN1N=CC(CO)=C1Cl W16169 [0,1,0,0,1,0|2,0,0]=4 787 B11R1.1 CC1=NC=C(CCCN)C=C1 73040 [0,2,0,0,0,0|1,0,0]=3 788 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.1 CCNCC1=CN=C(Cl)C=C1 F11983 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.1 CCOCC1=CN=C(Cl)C=C1 D73333 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.1 NCCNC1=NC=C(Br)C=C1 52009 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.1 OCCNC1=NC=C(F)C=C1 W16644 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,2,0,0,0,0|1,0,1]=4 794 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C71698 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.20 CC(C)SC1=NC=C(Br)C=C1 F20124 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 P17479 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11363 [0,2,0,0,0,0|1,0,0]=3 808 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y11568 [0,2,0,0,0,0|1,0,0]=3 809 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y13394 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 F16973 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 N11110 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 Y11040 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.22 N[C@@H](CO)C1=NC=C(Br)C=C1 Y11194 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12228 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12229 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12625 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.81 CCOC1=C(C)N=C(N)C=C1 O11421 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.81 CCOC1=C(F)C=C(N)C=N1 26695 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.81 COCC1=CC=C(Cl)N=C1Cl W10447 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.83 CCCC1=CC=C(CN)C=C1 35547 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.83 CCCC1=CC=C(CN)C=C1 Y14555 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.83 CCOC1=NC=C(CCl)C=C1 AB10985 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.83 CCOC1=NC=C(CO)C=C1 20990 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.83 CNC1=CC=C(CCO)C=C1 AB11620 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.83 COC1=CN=C(CC#N)C=C1 81752 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.83 COC1=NC=C(CCN)C=C1 72625 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.83 OCCC1=CC=C(CO)C=C1 D82395 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.192 CC1=C(F)C=CC(CCO)=N1 P19192 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 C77133 [0,2,0,0,0,0|0,0,2]=4 836 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 D81145 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 Y13670 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.3 CCC1=NC=C(B(O)O)C=C1 FD10251 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,2,0,0,0,0|0,0,1]=3 846 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20995 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20996 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D81124 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33613 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33618 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33808 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 A10669 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.3 NCC1=NC=C(C(F)F)C=C1 D78995 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.3 OCC1=CN=C(C(F)F)C=C1 P18143 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.279 CCC1=CC(N)=C(OC)C=C1 W16778 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.279 CCC1=CC(O)=C(OC)C=C1 O11426 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.279 CCC1=CC=C(C#N)C(O)=N1 C90475 [0,2,0,0,0,0|1,0,1]=4 859 B11R1.279 CCC1=NC(N)=C(CO)C=N1 C76882 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.279 COC1=C(O)C=C(CO)N=C1 79208 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.279 COC1=CC(Br)=C(OC)C=N1 W13564 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.279 COC1=CC(I)=C(CO)C=N1 64882 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.279 COC1=CC=C(CN)C(Br)=N1 D82704 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.279 COC1=CC=C(CO)N=C1Cl W17845 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.279 COC1=CN=C(CN)C(C)=C1 D83514 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.279 COC1=NC=C(CO)C=C1C 72276 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.19 CC(C)(C)C1=CN=C(Br)C=C1 P18025 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.19 CC(C)(C)C1=CN=C(Cl)C=C1 P18762 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.19 CC(C)(C)C1=CN=C(N)C=C1 D95143 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 84353 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.19 CC(C)(C)C1=NC=C(O)C=C1 F30395 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.19 CC(C)(O)C1=CN=C(N)C=C1 W17246 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.19 CC1=CN=C(C(F)(F)F)C=C1 33588 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.19 FC(F)(F)C1=CN=C(Br)C=N1 12507 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.19 OC1=CN=C(C(F)(F)F)C=N1 F14428 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,2,0,0,0,0|1,0,1]=4 877 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 N14401 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 Y12663 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 Y13395 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y10159 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y11763 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13629 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13905 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 F16970 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11029 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11059 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11531 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 N10471 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y10777 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14522 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14600 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 34381 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11247 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11248 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,2,0,0,0,0|1,0,1]=4 896 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 Y11487 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81528 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,2,0,0,0,0|1,0,1]=4 899 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [0,2,0,0,0,0|0,0,0]=2 900 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br 24900 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=N1 79345 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=N1 50880 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.166 C[C@H](N)C1=NC=C(Cl)C=C1F BL010225 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=N1 79310 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.166 C[C@H](O)C1=NC=C(Cl)C=C1F BL010226 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.37 COC1=C(C#N)N=C(C)C=C1 F50991 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.37 COC1=CC(C)=CN=C1OC C71876 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.277 CC1=NC(C)=C(C)N=C1C=O C15170 [0,2,0,0,0,0|1,0,1]=4 909 B11R1.277 CC1=NC(C)=C(C)N=C1CBr S11280 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.277 CCC1=NC(C)=C(C)N=C1C C73333 [0,2,0,0,0,0|0,0,0]=2 911 B11R1.277 COC1=CC(Br)=C(C)N=C1N 84361 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.278 CC1=C(O)C(C)=C(CO)C=N1 AC4357 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.278 CC1=CN=C(CO)C(C)=C1Cl C72854 [0,2,0,0,0,0|2,0,0]=4 914 B11R1.278 CC1=CN=C(CO)C(C)=C1O D80824 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.464 CC1=CC(Cl)=C(CO)C(Cl)=N1 C90466 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.280 CNC1=NC(CN)=CC=C1C 72583 [0,2,0,0,0,0|2,0,0]=4 917 B9R1.3 CC1=CC=NC(C)=C1Br C10200 [0,0,1,1,0,0|1,0,1]=4 918 B11R2.34 BrC1=CN=C(C2CC2)C=C1 82181 [0,1,0,1,0,0|2,0,0]=4 919 B11R2.34 BrC1=NC=C(C2CC2)C=C1 81857 [0,1,0,1,0,0|2,0,0]=4 920 B11R2.34 BrC1=NC=C(C2CC2)N=C1 81856 [0,1,0,1,0,0|1,0,0]=3 921 B11R2.34 ClC1=NC=C(C2CC2)C=C1 81869 [0,1,0,1,0,0|2,0,0]=4 922 B11R2.34 NC1=CN=C(C2CC2)C=C1 C71516 [0,1,0,1,0,0|2,0,0]=4 923 B11R2.34 NC1=NC=C(C2CC2)C=C1 94373 [0,1,0,1,0,0|2,0,0]=4 924 B11R2.34 OC1=NC=C(C2CC2)C=C1 C71515 [0,1,0,1,0,0|2,0,0]=4 925 B11R2.36 BrC1=CN=C2CCCC2=C1 81986 [0,1,0,1,0,0|2,0,0]=4 926 B11R2.36 BrC1=CN=C2CNCC2=C1 38863 [0,1,0,1,0,0|2,0,0]=4 927 B11R2.36 BrC1=CN=C2CNCC2=C1 68941 [0,1,0,1,0,0|2,0,0]=4 928 B11R2.36 BrC1=NC2=C(C=C1)NCC2 C72057 [0,1,0,1,0,0|2,0,0]=4 929 B11R2.36 BrC1=NC=C2CNCC2=C1 P17924 [0,1,0,1,0,0|2,0,0]=4 930 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [0,1,0,1,0,0|2,0,0]=4 931 B11R2.36 CC1=NC2=C(C=N1)CSC2 C74866 [0,1,0,1,0,0|2,0,0]=4 932 B11R2.36 ClC1=CN=C2NCCC2=C1 C71466 [0,1,0,1,0,0|2,0,0]=4 933 B11R2.36 ClC1=NC2=C(C=C1)CCO2 D78959 [0,1,0,1,0,0|2,0,0]=4 934 B11R2.36 ClC1=NC2=C(C=C1)CNC2 FD7109 [0,1,0,1,0,0|2,0,0]=4 935 B11R2.36 ClC1=NC2=C(C=C1)CNC2 P12647 [0,1,0,1,0,0|2,0,0]=4 936 B11R2.36 ClC1=NC=C2CCNC2=C1 87198 [0,1,0,1,0,0|2,0,0]=4 937 B11R2.36 ClC1=NC=C2CNCC2=C1 P16613 [0,1,0,1,0,0|2,0,0]=4 938 B11R2.36 ClC1=NC=C2NCCC2=C1 F18600 [0,1,0,1,0,0|2,0,0]=4 939 B11R2.36 FC1=CN=C2CNCC2=C1 P12657 [0,1,0,1,0,0|2,0,0]=4 940 B11R2.36 FC1=CN=C2NCCC2=C1 P20984 [0,1,0,1,0,0|2,0,0]=4 941 B7R1.1 BrCC1=CC=NO1 33595 [1,0,0,0,1,0|2,0,0]=4 942 B7R1.1 BrCC1=CN=CO1 92893 [1,0,0,0,1,0|2,0,0]=4 943 B7R1.1 BrCC1=COC=N1 70925 [1,0,0,0,1,0|2,0,0]=4 944 B7R1.1 BrCC1=CON=C1 95088 [1,0,0,0,1,0|2,0,0]=4 945 B7R1.1 BrCC1=CSC=N1 73558 [1,0,0,0,1,0|2,0,0]=4 946 B7R1.1 BrCC1=NC=CO1 92941 [1,0,0,0,1,0|2,0,0]=4 947 B7R1.1 BrCC1=NC=CS1 73557 [1,0,0,0,1,0|2,0,0]=4 948 B7R1.1 BrCC1=NOC=C1 71749 [1,0,0,0,1,0|2,0,0]=4 949 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,0,1,0|1,0,0]=3 950 B7R1.1 CCC1=NN=CO1 C10407 [1,0,0,0,1,0|2,0,0]=4 951 B7R1.1 CCN1C=NC=N1 29522 [1,0,0,0,1,0|1,0,0]=3 952 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,1,0|2,0,0]=4 953 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,1,0|2,0,0]=4 954 B7R1.1 CNC1=NNC=C1 72540 [1,0,0,0,1,0|2,0,0]=4 955 B7R1.1 CNC1=NOC=C1 72015 [1,0,0,0,1,0|2,0,0]=4 956 B7R1.1 CNC1=NOC=C1 72539 [1,0,0,0,1,0|2,0,0]=4 957 B7R1.1 COC1=CNN=C1 79311 [1,0,0,0,1,0|2,0,0]=4 958 B7R1.1 COC1=NNC=C1 D79536 [1,0,0,0,1,0|2,0,0]=4 959 B7R1.1 CSC1=CN=CN1 W17049 [1,0,0,0,1,0|1,0,1]=4 960 B7R1.1 CSC1=CNN=C1 W10958 [1,0,0,0,1,0|2,0,0]=4 961 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,1,0|1,0,1]=4 962 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,1,0|2,0,0]=4 963 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,1,0|2,0,0]=4 964 B7R1.1 ClCC1=CC=NO1 33348 [1,0,0,0,1,0|2,0,0]=4 965 B7R1.1 ClCC1=CN=CO1 RB3366 [1,0,0,0,1,0|2,0,0]=4 966 B7R1.1 ClCC1=COC=N1 D97597 [1,0,0,0,1,0|2,0,0]=4 967 B7R1.1 ClCC1=NC=CS1 BL005472 [1,0,0,0,1,0|2,0,0]=4 968 B7R1.1 ClCC1=NOC=C1 F13567 [1,0,0,0,1,0|2,0,0]=4 969 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,1,0|1,0,1]=4 970 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,1,0|2,0,0]=4 971 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,1,0|2,0,0]=4 972 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,1,0|2,0,0]=4 973 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,0,1,0|1,0,1]=4 974 B7R1.1 NCC1=CNC=N1 26566 [1,0,0,0,1,0|1,0,1]=4 975 B7R1.1 NCC1=CNN=C1 37585 [1,0,0,0,1,0|2,0,0]=4 976 B7R1.1 NCC1=CNN=C1 37586 [1,0,0,0,1,0|2,0,0]=4 977 B7R1.1 NCC1=COC=N1 25090 [1,0,0,0,1,0|2,0,0]=4 978 B7R1.1 NCC1=CON=C1 55763 [1,0,0,0,1,0|2,0,0]=4 979 B7R1.1 NCC1=CSC=N1 24147 [1,0,0,0,1,0|2,0,0]=4 980 B7R1.1 NCC1=CSC=N1 Y14444 [1,0,0,0,1,0|2,0,0]=4 981 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,1,0|1,0,1]=4 982 B7R1.1 NCC1=NNC=C1 36190 [1,0,0,0,1,0|2,0,0]=4 983 B7R1.1 NCC1=NNC=N1 AC1019 [1,0,0,0,1,0|2,0,0]=4 984 B7R1.1 NCC1=NOC=C1 W10075 [1,0,0,0,1,0|2,0,0]=4 985 B7R1.1 NCC1=NOC=N1 72520 [1,0,0,0,1,0|2,0,0]=4 986 B7R1.1 OCC1=CC=NO1 33580 [1,0,0,0,1,0|2,0,0]=4 987 B7R1.1 OCC1=CC=NS1 53001 [1,0,0,0,1,0|2,0,0]=4 988 B7R1.1 OCC1=CON=C1 73633 [1,0,0,0,1,0|2,0,0]=4 989 B7R1.1 OCC1=CSN=C1 83209 [1,0,0,0,1,0|2,0,0]=4 990 B7R1.1 OCC1=NNC=N1 83468 [1,0,0,0,1,0|2,0,0]=4 991 B7R1.1 OCC1=NNC=N1 F53081 [1,0,0,0,1,0|2,0,0]=4 992 B7R1.1 OCN1C=CN=C1 F11598 [1,0,0,0,1,0|2,0,0]=4 993 B7R1.2 CC1=CN(C)C=N1 11615 [1,0,0,0,1,0|1,0,0]=3 994 B7R1.2 CC1=CN(C)N=N1 O10352 [1,0,0,0,1,0|2,0,0]=4 995 B7R1.2 CC1=CN=C(N)O1 80158 [1,0,0,0,1,0|2,0,0]=4 996 B7R1.2 CC1=CN=C(N)S1 C13827 [1,0,0,0,1,0|2,0,0]=4 997 B7R1.2 CC1=COC(Br)=N1 S10976 [1,0,0,0,1,0|2,0,0]=4 998 B7R1.2 CC1=COC(S)=N1 W16843 [1,0,0,0,1,0|2,0,0]=4 999 B7R1.2 CC1=CSC(Br)=C1 C15930 [1,0,0,0,1,0|2,0,0]=4 1000 B7R1.2 CC1=CSC(C)=C1 O10605 [1,0,0,0,1,0|1,0,0]=3 1001 B7R1.2 CC1=CSC(I)=N1 W17362 [1,0,0,0,1,0|2,0,0]=4 1002 B7R1.2 CC1=NC(N)=NS1 AT11903 [1,0,0,0,1,0|2,0,0]=4 1003 B7R1.2 CC1=NC=C(Br)S1 29668 [1,0,0,0,1,0|2,0,0]=4 1004 B7R1.2 CC1=NC=C(N)S1 80222 [1,0,0,0,1,0|2,0,0]=4 1005 B7R1.2 CC1=NN=C(C)C1 N10051 [1,0,0,0,1,0|1,0,1]=4 1006 B7R1.2 CC1=NOC(N)=N1 AT13650 [1,0,0,0,1,0|2,0,0]=4 1007 B7R1.2 CC1=NOC(O)=N1 C90490 [1,0,0,0,1,0|2,0,0]=4 1008 B7R1.2 CC1=NSC(Br)=N1 80337 [1,0,0,0,1,0|2,0,0]=4 1009 B7R1.2 CN1C=C(O)C=N1 W16286 [1,0,0,0,1,0|2,0,0]=4 1010 B7R1.2 CN1C=N[N+](C)=C1 T70137 [1,0,0,0,1,0|2,0,0]=4