0 B10R1.10 CC1=CC(CCBr)=CC=C1 P40673 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 CC1=CC(CCCl)=CC=C1 P38353 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.10 CC1=CC(CCI)=CC=C1 M23009 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.10 CC1=CC(CCN)=CC=C1 P37429 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.10 CC1=CC(CCN)=NC=C1 Q53269 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.10 CC1=CC=CC(CCO)=N1 Q52530 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.10 CC1=CN=CC(CCN)=C1 Q64732 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.10 CC1=CN=CC(CCO)=C1 Q64733 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.10 CC1=NC=CC(CC#N)=C1 L14363 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.10 CC1=NC=CC(CCN)=C1 O31989 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.10 CCCC1=CC=CC(N)=C1 M23710 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.10 CCCC1=CC=CC(N)=N1 O31120 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.10 CCNC1=CC=CC(Br)=C1 P38317 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.10 CCNC1=CC=CC(Cl)=C1 P41014 [0,0,0,0,0,0|2,1,0]=3 14 B10R1.10 CCNC1=CC=CC(F)=C1 P39149 [0,0,0,0,0,0|2,1,0]=3 15 B10R1.10 CCOC1=CC(Br)=NC=C1 Q52481 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.10 CCOC1=CC(C)=CN=C1 N27267 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.10 CCOC1=CC(Cl)=NC=C1 N24567 [0,0,0,0,0,0|3,1,0]=4 18 B10R1.10 CCOC1=CC=CC(F)=C1 Q66827 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.10 CCOC1=CC=CC(N)=N1 O30214 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.10 CCOC1=NC=CC(Br)=C1 N24697 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.10 CCOC1=NC=CC(I)=C1 N26426 [0,0,0,0,0,0|3,1,0]=4 22 B10R1.10 CCOC1=NC=CC(N)=C1 P51356 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.10 CNCC1=CC(Cl)=NC=C1 P36290 [0,0,0,0,0,0|3,1,0]=4 24 B10R1.10 CNCC1=CC(F)=CN=C1 P42788 [0,0,0,0,0,0|3,1,0]=4 25 B10R1.10 CNCC1=CC(O)=CC=C1 P42117 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.10 CNCC1=CC=CC(=O)N1 L20412 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.10 CNCC1=CC=CC(C)=C1 P38357 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.10 COCC1=CC(Br)=CC=C1 Q67458 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.10 COCC1=CN=CC(Br)=C1 Q67548 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.10 COCC1=NC=CC(N)=C1 Q56240 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.10 CSCC1=CC(N)=NC=C1 F-4303 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.10 FC1=CC(CCBr)=CC=C1 P39371 [0,0,0,0,0,0|1,1,0]=2 33 B10R1.10 FC1=CN=CC(CCBr)=C1 Q64580 [0,0,0,0,0,0|2,1,0]=3 34 B10R1.10 N#CCC1=CC(Br)=CN=C1 G-7576 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.10 N#CCC1=CC(F)=CN=C1 C-3499 [0,0,0,0,0,0|1,1,2]=4 36 B10R1.10 N#CCC1=CC=CC(N)=C1 P37983 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.10 N#CCC1=CC=NC(Cl)=C1 Q55028 [0,0,0,0,0,0|1,1,2]=4 38 B10R1.10 NC1=CC(CCO)=CC=C1 O31199 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.10 NC1=CC(CCO)=NC=C1 Q53462 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.10 NCCC1=CC(Br)=NC=C1 H-8231 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.10 NCCC1=CC(F)=CN=C1 Q64579 [0,0,0,0,0,0|1,1,0]=2 42 B10R1.10 NCCC1=CC(O)=CC=C1 M23068 [0,0,0,0,0,0|1,0,0]=1 43 B10R1.10 NCCC1=CC=CC(Cl)=C1 G-6963 [0,0,0,0,0,0|0,1,0]=1 44 B10R1.10 NCCC1=CC=CC(I)=C1 P34955 [0,0,0,0,0,0|0,1,0]=1 45 B10R1.10 NCCC1=CC=CC(N)=C1 P36157 [0,0,0,0,0,0|1,0,0]=1 46 B10R1.10 NCCC1=NC=CC(F)=C1 Q53270 [0,0,0,0,0,0|1,1,0]=2 47 B10R1.10 NNCC1=CC(Br)=CN=C1 Q51914 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.10 NNCC1=CC(Cl)=CC=C1 Q51809 [0,0,0,0,0,0|1,1,0]=2 49 B10R1.10 NNCC1=CC(F)=CC=C1 C-3248 [0,0,0,0,0,0|1,1,0]=2 50 B10R1.10 NNCC1=CC(F)=CC=C1 Q51806 [0,0,0,0,0,0|1,1,0]=2 51 B10R1.10 NNCC1=CC=CC(Br)=C1 L20978 [0,0,0,0,0,0|1,0,0]=1 52 B10R1.10 OCCC1=CC(F)=CN=C1 Q64578 [0,0,0,0,0,0|2,1,0]=3 53 B10R1.10 OCCC1=CC=CC(O)=C1 P41607 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.10 OCCC1=NC(Cl)=CC=C1 Q69232 [0,0,0,0,0,0|2,1,0]=3 55 B10R1.10 OCCC1=NC=CC(Br)=C1 S72505 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.2 BrCC1=CC=CC(Br)=N1 P35902 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.2 C#CC1=CC(O)=CC=C1 P42883 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.2 C#CC1=CC=CC(Br)=C1 O27910 [1,0,0,0,0,0|0,0,2]=3 59 B9R1.2 C#CC1=CC=CC(C)=C1 P36176 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.2 C#CC1=CN=CC(Br)=C1 O30098 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.2 C(=O)C1=CC=CC(Br)=N1 C-3289 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.2 C=CC1=NC(Br)=CC=C1 L18289 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.2 CC1=CC(CN)=CC=N1 Q62498 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.2 CC1=CC(CN)=NC=C1 O29857 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.2 CC1=CC(CN)=NC=C1 O31684 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.2 CC1=CC(CN)=NN=C1 L22164 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.2 CC1=CC(NN)=NC=C1 O31163 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.2 CC1=CC=CC(CN)=N1 P35737 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.2 CC1=CC=CC(CN)=N1 P36768 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.2 CC1=CC=NC(CN)=N1 Q56400 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.2 CC1=CN=CC(CCl)=C1 O33584 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 CC1=CN=CC(CO)=C1 I-9425 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.2 CC1=NC(CN)=NC=C1 L14171 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 CC1=NC=CC(CN)=C1 O31522 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.2 CC1=NC=CC(CO)=C1 O30864 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.2 CCC1=CC(Br)=NC=C1 P45487 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.2 CCC1=CC(Cl)=NC=N1 P51150 [1,0,0,0,0,0|2,1,0]=4 78 B9R1.2 CCC1=CC=CC(Br)=N1 Q52717 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.2 CCC1=CC=CC(Cl)=N1 Q62319 [1,0,0,0,0,0|1,1,0]=3 80 B9R1.2 CCC1=CC=CC(F)=N1 Q62318 [1,0,0,0,0,0|1,1,0]=3 81 B9R1.2 CCC1=NC=CC(Cl)=N1 L18383 [1,0,0,0,0,0|2,1,0]=4 82 B9R1.2 CCC1=NC=CC(N)=C1 L18226 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.2 CNC1=CC(Br)=CN=C1 P51196 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.2 CNC1=CC(C)=CC=N1 Q58361 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.2 CNC1=CC(C)=CC=N1 Q58362 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.2 CNC1=CC(O)=CC=C1 P41161 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.2 CNC1=CC=CC(F)=N1 Q58333 [1,0,0,0,0,0|2,1,0]=4 88 B9R1.2 CNC1=CC=CC(I)=C1 P37043 [1,0,0,0,0,0|1,1,0]=3 89 B9R1.2 CNC1=NC=CC(I)=C1 N26836 [1,0,0,0,0,0|2,1,0]=4 90 B9R1.2 COC1=CC(C)=CN=C1 N25271 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.2 COC1=CC(F)=NC=C1 Q67856 [1,0,0,0,0,0|2,1,0]=4 92 B9R1.2 COC1=CC(N)=CN=C1 Q56314 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.2 COC1=CC=CC(I)=N1 O32550 [1,0,0,0,0,0|2,1,0]=4 94 B9R1.2 COC1=CC=NC(Br)=N1 S86521 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.2 COC1=CN=CC(Br)=N1 O30481 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.2 COC1=CN=CC(Cl)=C1 S70722 [1,0,0,0,0,0|2,1,0]=4 97 B9R1.2 COC1=CN=CC(N)=C1 G-6107 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.2 COC1=CN=CC(O)=C1 O31805 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.2 COC1=NC=CC(Br)=C1 Q67517 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.2 COC1=NC=CC(Br)=N1 I-9088 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.2 COC1=NC=CC(Cl)=C1 Q68014 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.2 COC1=NC=CC(I)=C1 Q67717 [1,0,0,0,0,0|2,1,0]=4 103 B9R1.2 COC1=NC=CC(N)=C1 G-5580 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.2 COC1=NC=CC(O)=C1 N25339 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.2 CSC1=CC(F)=NC=C1 N26858 [1,0,0,0,0,0|2,1,0]=4 106 B9R1.2 CSC1=CC=CC(Br)=N1 P51643 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.2 CSC1=CN=CC(Br)=C1 Q67547 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.2 CSC1=CN=CC(Cl)=C1 N26275 [1,0,0,0,0,0|2,1,0]=4 109 B9R1.2 CSC1=CN=CC(O)=C1 N26050 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.2 ClC1=CN=CC(CBr)=C1 Q53180 [1,0,0,0,0,0|2,1,0]=4 111 B9R1.2 ClC1=NC(CBr)=CC=C1 N26153 [1,0,0,0,0,0|2,1,0]=4 112 B9R1.2 ClCC1=CC(Cl)=CN=C1 F-4077 [1,0,0,0,0,0|2,1,0]=4 113 B9R1.2 ClCC1=CC(Cl)=NC=C1 I-9215 [1,0,0,0,0,0|2,1,0]=4 114 B9R1.2 ClCC1=CN=CC(Cl)=C1 Q53715 [1,0,0,0,0,0|2,1,0]=4 115 B9R1.2 FC1=CN=CC(CCl)=C1 C-3497 [1,0,0,0,0,0|2,1,0]=4 116 B9R1.2 N#CC1=CC(Br)=NC=C1 P42896 [1,0,0,0,0,0|1,0,2]=4 117 B9R1.2 N#CC1=NC(Br)=CC=C1 G-5119 [1,0,0,0,0,0|1,0,2]=4 118 B9R1.2 N#CC1=NC=CC(Br)=C1 E-3011 [1,0,0,0,0,0|1,0,2]=4 119 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.2 NC1=CC(CO)=NC=C1 P43136 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.2 NC1=NC=CC(CO)=C1 G-7574 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.2 NCC1=CC(=O)NC=C1 C-3609 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.2 NCC1=CC(=O)NC=C1 P44155 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.2 NCC1=CC(Br)=CN=C1 O31870 [1,0,0,0,0,0|1,0,0]=2 125 B9R1.2 NCC1=CC(Cl)=NC=C1 I-9257 [1,0,0,0,0,0|1,1,0]=3 126 B9R1.2 NCC1=CC(Cl)=NC=C1 L22480 [1,0,0,0,0,0|1,1,0]=3 127 B9R1.2 NCC1=CC(F)=CC=N1 Q52932 [1,0,0,0,0,0|1,1,0]=3 128 B9R1.2 NCC1=CC(F)=NC=C1 O29911 [1,0,0,0,0,0|1,1,0]=3 129 B9R1.2 NCC1=CC(F)=NC=C1 O31041 [1,0,0,0,0,0|1,1,0]=3 130 B9R1.2 NCC1=CC(N)=NC=N1 G-6200 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.2 NCC1=CC(O)=CC=C1 P36367 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.2 NCC1=CC=CC(=O)N1 O30155 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.2 NCC1=CC=CC(F)=C1 N26365 [1,0,0,0,0,0|0,1,0]=2 134 B9R1.2 NCC1=CC=NC(Cl)=N1 P48695 [1,0,0,0,0,0|2,1,0]=4 135 B9R1.2 NCC1=CC=NC(Cl)=N1 Q56710 [1,0,0,0,0,0|2,1,0]=4 136 B9R1.2 NCC1=CN=CC(F)=C1 C-3498 [1,0,0,0,0,0|1,1,0]=3 137 B9R1.2 NCC1=CN=CC(N)=C1 O29974 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.2 NCC1=CN=CC(N)=C1 O31108 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.2 NCC1=C[N+]([O-])=CC=C1 Q55759 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.2 NCC1=NC(=O)NC=C1 Q51935 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.2 NCC1=NC(Br)=CC=C1 O34414 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.2 NCC1=NC(F)=CC=C1 O30290 [1,0,0,0,0,0|1,1,0]=3 143 B9R1.2 NCC1=NC(F)=CC=C1 O31621 [1,0,0,0,0,0|1,1,0]=3 144 B9R1.2 NCC1=NC(N)=CC=C1 L20065 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.2 NCC1=NC(N)=CC=C1 Q62425 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.2 NCC1=NC(N)=CC=C1 Q62426 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.2 NCC1=NC=CC(Br)=C1 G-5659 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.2 NCC1=NC=CC(Br)=C1 O33288 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.2 NCC1=NC=CC(Br)=C1 Q51926 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.2 NCC1=NC=CC(Cl)=C1 I-9896 [1,0,0,0,0,0|1,1,0]=3 151 B9R1.2 NCC1=NC=CC(Cl)=C1 Q56342 [1,0,0,0,0,0|1,1,0]=3 152 B9R1.2 NCC1=NC=CC(Cl)=N1 H-8844 [1,0,0,0,0,0|2,1,0]=4 153 B9R1.2 NCC1=NC=CC(Cl)=N1 Q52695 [1,0,0,0,0,0|2,1,0]=4 154 B9R1.2 NCC1=NC=CC(F)=C1 O29654 [1,0,0,0,0,0|1,1,0]=3 155 B9R1.2 NCC1=NC=CC(N)=N1 Q58583 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.2 NCC1=NC=CC(O)=C1 O29566 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.2 NCC1=NC=NC(N)=C1 L13264 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.2 NCC1=NC=NC(O)=C1 G-6198 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.2 NNC1=CC(Cl)=NC=C1 O30804 [1,0,0,0,0,0|2,1,0]=4 160 B9R1.2 NNC1=CN=CC(Br)=C1 Q57187 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.2 NNC1=CN=CC(Br)=C1 Q57188 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.2 NNC1=NC=CC(Cl)=C1 P43285 [1,0,0,0,0,0|2,1,0]=4 163 B9R1.2 N\N=C1/C=C(I)C=CN1 N25209 [1,0,0,0,0,0|2,1,0]=4 164 B9R1.2 O=C1C=C(CO)C=CN1 C-2797 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.2 O=C1C=CC=C(CO)N1 Q52489 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.2 OC1=CC=CC(CBr)=C1 O29845 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.2 OCC1=CC(Cl)=CN=C1 P39543 [1,0,0,0,0,0|2,1,0]=4 168 B9R1.2 OCC1=CC(Cl)=NC=C1 Q67739 [1,0,0,0,0,0|2,1,0]=4 169 B9R1.2 OCC1=CC(F)=CN=C1 C-3496 [1,0,0,0,0,0|2,1,0]=4 170 B9R1.2 OCC1=CC(F)=NC=C1 P41706 [1,0,0,0,0,0|2,1,0]=4 171 B9R1.2 OCC1=CN=CC(Br)=C1 P38449 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.2 OCC1=NC(Br)=CC=C1 P38733 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.2 OCC1=NC(F)=CC=C1 P38880 [1,0,0,0,0,0|2,1,0]=4 174 B9R1.2 OCC1=NC=CC(Br)=C1 B-1208 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.2 OCC1=NC=CC(F)=C1 O29281 [1,0,0,0,0,0|2,1,0]=4 176 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 O29734 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.8 CNCC1=CC=CN=C1 P35002 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.8 CNCC1=CC=NC=C1 P36555 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.8 CNCC1=NC=CC=C1 P39822 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.8 N#CCC1=CC=NC=C1 P41732 [1,0,0,0,0,0|1,0,2]=4 184 B9R1.8 NCCC1=CC=NC=N1 L14509 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.8 NCCC1=NC=CC=N1 L14904 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.8 NCCC1=NC=CC=N1 Q55474 [1,0,0,0,0,0|2,0,0]=3 187 B9R1.8 NCCC1=NC=NC=C1 Q56454 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.8 NNCC1=CC=CC=C1 P43525 [1,0,0,0,0,0|1,0,0]=2 189 B9R1.8 NNCC1=CC=CN=C1 O31533 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.8 NNCC1=CC=NC=C1 C-3253 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.8 NNCC1=CC=NC=C1 L13556 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.8 NNCC1=CC=NC=C1 O32212 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.8 NNCC1=CN=CC=C1 C-3254 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.8 NNCC1=CN=CN=C1 C-3759 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.8 NNCC1=NC=CC=C1 C-3255 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.8 NNCC1=NC=CC=C1 O31423 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.8 NNCC1=NC=CC=N1 C-2760 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.8 NNCC1=NC=CN=C1 G-5311 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.8 OCCC1=CC=CN=C1 O28068 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.8 OCCC1=CC=NC=C1 P37585 [1,0,0,0,0,0|2,0,0]=3 202 B9R1.8 OCCC1=CC=NC=N1 Q56821 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.8 OCCC1=NC=CC=N1 Q56820 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 O32008 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.13 CCOC1=C(N)C(N)=CC=C1 O29910 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.13 CNCC1=CC=CC(Br)=C1F N24854 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.13 COCC1=C(F)C(Br)=CC=C1 O32038 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.13 ClC1=C(Cl)C(CCBr)=CC=C1 P34812 [0,1,0,0,0,0|1,1,0]=3 209 B11R1.13 FC1=C(F)C(CCBr)=CC=C1 P41924 [0,1,0,0,0,0|1,1,0]=3 210 B11R1.13 N#CCC1=CC=CC(F)=C1I O29631 [0,1,0,0,0,0|0,1,2]=4 211 B11R1.13 OCCC1=CC=CC(F)=C1F O27892 [0,1,0,0,0,0|1,1,0]=3 212 B11R1.23 C#CC(O)C1=CC=CC(Cl)=C1 P38984 [0,1,0,0,0,0|1,1,1]=4 213 B11R1.23 C#CC(O)C1=CC=CC(F)=C1 O31432 [0,1,0,0,0,0|1,1,1]=4 214 B11R1.23 CC1=CC(C(=O)CBr)=CC=C1 O28559 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.23 CC1=CC(C(N)CO)=CC=C1 P42443 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.23 CC1=CC(C(O)CN)=CC=C1 P37590 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 P42962 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.23 CCC(N)C1=CC=CC(Cl)=C1 P38298 [0,1,0,0,0,0|1,1,0]=3 219 B11R1.23 CCC(O)C1=CC=CC(Cl)=C1 P38851 [0,1,0,0,0,0|1,1,0]=3 220 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 Q66806 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.23 NC(CO)C1=CC=CC(Br)=C1 P40234 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 P40407 [0,1,0,0,0,0|1,1,0]=3 223 B11R1.23 NC(CO)C1=CC=CC(F)=C1 P40409 [0,1,0,0,0,0|1,1,0]=3 224 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 P37041 [0,1,0,0,0,0|0,0,1]=2 225 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 P37749 [0,1,0,0,0,0|0,1,1]=3 226 B11R1.23 NCC(=O)C1=CC=CC(F)=C1 P35035 [0,1,0,0,0,0|0,1,1]=3 227 B11R1.23 NCC(=O)C1=CC=CC(O)=C1 P41173 [0,1,0,0,0,0|1,0,1]=3 228 B11R1.23 NCC(O)C1=CC=CC(Br)=C1 P38183 [0,1,0,0,0,0|0,0,0]=1 229 B11R1.23 NCC(O)C1=CC=CC(Cl)=C1 P37589 [0,1,0,0,0,0|0,1,0]=2 230 B11R1.23 NCC(O)C1=CC=CC(F)=C1 P38243 [0,1,0,0,0,0|0,1,0]=2 231 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 P51568 [0,1,0,0,0,0|0,1,0]=2 232 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 P39827 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 P35059 [0,1,0,0,0,0|1,1,0]=3 234 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 P42255 [0,1,0,0,0,0|1,1,0]=3 235 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 P39826 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=N1 Q53157 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 P36766 [0,1,0,0,0,0|1,1,0]=3 238 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 P38815 [0,1,0,0,0,0|1,1,0]=3 239 B11R1.24 BrCCCC1=CC(Br)=CC=C1 O28830 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.24 C#CCOC1=CC=CC(C)=C1 P37380 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.24 CC1=CC(CCCN)=CC=C1 P42846 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.24 CC1=CC(CCCO)=CC=C1 P42630 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.24 CC1=CC(OCCN)=CC=C1 P36838 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.24 CC1=CC(OCCO)=CC=C1 P41522 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.24 CC1=NC(NCCN)=CC=C1 Q62433 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.24 CCCCC1=CC=CC(N)=N1 O30054 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 O34174 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.24 CCCOC1=CC(Br)=CC=C1 Q66928 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.24 CCNCC1=CC(Br)=CN=C1 O32185 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.24 CCOCC1=CC(Br)=CN=C1 N26827 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.24 CNCCC1=CC=CC(Br)=C1 P36066 [0,1,0,0,0,0|0,0,0]=1 252 B11R1.24 CNCCC1=CC=CC(C)=C1 P41493 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.24 CNCCC1=CC=CC(Cl)=C1 P37634 [0,1,0,0,0,0|0,1,0]=2 254 B11R1.24 CNCCC1=CC=CC(F)=C1 P37712 [0,1,0,0,0,0|0,1,0]=2 255 B11R1.24 COCOC1=CC(Br)=CC=C1 Q66574 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.24 COCOC1=CC(Br)=CN=C1 N26942 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.24 COCOC1=CC(Cl)=CC=C1 Q66406 [0,1,0,0,0,0|2,1,0]=4 258 B11R1.24 COCOC1=CC(F)=CC=C1 Q66728 [0,1,0,0,0,0|2,1,0]=4 259 B11R1.24 ClC1=CC(CCCBr)=CC=C1 P35187 [0,1,0,0,0,0|1,1,0]=3 260 B11R1.24 FC1=CC(CCCBr)=CC=C1 P40928 [0,1,0,0,0,0|1,1,0]=3 261 B11R1.24 N#CCOC1=CC=CC(Br)=C1 P34857 [0,1,0,0,0,0|0,0,2]=3 262 B11R1.24 N#CCOC1=CC=CC(F)=C1 P41549 [0,1,0,0,0,0|0,1,2]=4 263 B11R1.24 N#CCOC1=CC=CC(O)=C1 P42751 [0,1,0,0,0,0|1,0,2]=4 264 B11R1.24 NC1=CC(CCCO)=NC=C1 Q53463 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.24 NC1=CC=CC(OCCO)=C1 P37761 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.24 NCCCC1=CC(O)=CC=C1 P37377 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.24 NCCCC1=CC=CC(Br)=C1 P40513 [0,1,0,0,0,0|0,0,0]=1 268 B11R1.24 NCCCC1=CC=CC(Cl)=C1 P40264 [0,1,0,0,0,0|0,1,0]=2 269 B11R1.24 NCCCC1=CC=CC(F)=C1 P42845 [0,1,0,0,0,0|0,1,0]=2 270 B11R1.24 NCCCC1=CC=CC(N)=C1 P38762 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.24 NCCOC1=CC(O)=CC=C1 Q66030 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.24 NCCOC1=CC=CC(Br)=C1 P35063 [0,1,0,0,0,0|0,0,0]=1 273 B11R1.24 NCCOC1=CC=CC(Cl)=C1 P36837 [0,1,0,0,0,0|0,1,0]=2 274 B11R1.24 NCCOC1=CC=CC(F)=C1 P42322 [0,1,0,0,0,0|0,1,0]=2 275 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 O30477 [0,1,0,0,0,0|1,1,1]=4 276 B11R1.24 OCC#CC1=CC=CC(F)=C1 O27862 [0,1,0,0,0,0|1,1,1]=4 277 B11R1.24 OCCCC1=CC=CC(Br)=C1 P36802 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.24 OCCCC1=CC=CC(Cl)=C1 P39520 [0,1,0,0,0,0|1,1,0]=3 279 B11R1.24 OCCCC1=CC=CC(F)=C1 P40929 [0,1,0,0,0,0|1,1,0]=3 280 B11R1.24 OCCCC1=CC=CC(O)=C1 P41291 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.24 OCCOC1=CC=CC(Br)=C1 P36001 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.24 OCCOC1=CC=CC(Cl)=C1 P37049 [0,1,0,0,0,0|1,1,0]=3 283 B11R1.24 OCCOC1=CC=CC(Cl)=N1 Q58465 [0,1,0,0,0,0|2,1,0]=4 284 B11R1.24 OCCOC1=CC=CC(F)=C1 P41246 [0,1,0,0,0,0|1,1,0]=3 285 B11R1.24 OCCOC1=CC=CC(I)=C1 P36653 [0,1,0,0,0,0|1,1,0]=3 286 B11R1.34 CC1=CC(Br)=CC(\C=N\O)=C1 N27304 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.34 CC1=CC(C#CBr)=CC(Br)=C1 P43568 [0,1,0,0,0,0|1,0,2]=4 288 B11R1.34 CCNC1=CC(Cl)=CC(Cl)=C1 P38143 [0,1,0,0,0,0|2,1,0]=4 289 B11R1.34 CCOC1=CC(Br)=CC(Br)=C1 Q67194 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.34 CCOC1=CC(Br)=CC(F)=C1 Q68063 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.34 CCOC1=CC(C)=CC(F)=C1 N27355 [0,1,0,0,0,0|2,1,0]=4 292 B11R1.34 CCOC1=CC(F)=CC(F)=C1 Q67542 [0,1,0,0,0,0|2,1,0]=4 293 B11R1.34 CCOC1=CC(O)=CC(Br)=C1 N26906 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.34 ClC1=CC(Cl)=CC(CCBr)=C1 P35013 [0,1,0,0,0,0|1,1,0]=3 295 B11R1.34 FC1=CC(F)=CC(CCBr)=C1 P34811 [0,1,0,0,0,0|1,1,0]=3 296 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 P36655 [0,1,0,0,0,0|0,1,0]=2 297 B11R1.34 OCCC1=CC(Cl)=CC(Cl)=C1 O28071 [0,1,0,0,0,0|1,1,0]=3 298 B11R1.34 OCCC1=CC(F)=CC(F)=C1 P37971 [0,1,0,0,0,0|1,1,0]=3 299 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 P38633 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 P41926 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 P38903 [0,1,0,0,0,0|2,1,0]=4 302 B11R1.157 CC(C)NC1=CC=CC(F)=C1 P42251 [0,1,0,0,0,0|2,1,0]=4 303 B11R1.157 CC(C)OC1=CC(F)=CC=C1 Q66828 [0,1,0,0,0,0|2,1,0]=4 304 B11R1.157 CC(C)OC1=CC=CC(O)=C1 N24861 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.157 CC(C)OC1=CN=CC(Br)=C1 Q67028 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.157 CC1=CC(CB(O)O)=CC=C1 L20484 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.157 CC1=CC(NC(C)C)=CC=C1 P42983 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.157 CN(C)CC1=CC(Br)=CN=C1 N26225 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.157 CN(C)CC1=CC(N)=CC=C1 P39096 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 Q67698 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.157 FC(F)OC1=CC(Br)=NC=C1 O32125 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.157 FC(F)OC1=NC=CC(Br)=C1 I-9572 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.157 FC1=CC(OC(F)F)=CC=C1 O31131 [0,1,0,0,0,0|2,1,0]=4 314 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 P42693 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.182 C=CCC1=C(O)C=CC(Cl)=C1 L19203 [0,1,0,0,0,0|1,1,1]=4 316 B11R1.182 CC1=CC=C(C)C(CNN)=C1 L21088 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.182 CCCC1=CC(O)=CC=C1Cl O29485 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.182 CCOC1=C(Br)C=CC(Br)=C1 N25686 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.182 CCOC1=C(Br)C=CC(O)=C1 H-8355 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.182 CCOC1=C(Cl)C=CC(Br)=C1 N24921 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.182 CCOC1=CC(Br)=CC=C1C Q66415 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.182 CCOC1=CC(Br)=CC=C1F Q67057 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.182 CCOC1=CC(Br)=CN=C1F N26926 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.182 CCOC1=CC(C)=CC=C1Br N27758 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.182 CCOC1=CC(F)=CC=C1Br Q67521 [0,1,0,0,0,0|2,1,0]=4 326 B11R1.182 CNCC1=CC(Cl)=CC=C1Cl M23031 [0,1,0,0,0,0|2,1,0]=4 327 B11R1.182 CNCC1=CC(F)=CC=C1F Q66047 [0,1,0,0,0,0|2,1,0]=4 328 B11R1.182 ClC1=CC=C(Cl)C(CCBr)=C1 P38258 [0,1,0,0,0,0|1,1,0]=3 329 B11R1.182 FC1=CC=C(F)C(CCBr)=C1 P41606 [0,1,0,0,0,0|1,1,0]=3 330 B11R1.182 NCCN1C=C(Br)C=CC1=O Q58261 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.182 OCCC1=CC(Cl)=CC=C1Cl P40249 [0,1,0,0,0,0|1,1,0]=3 332 B11R1.182 OCCC1=CC(F)=CC=C1F O27997 [0,1,0,0,0,0|1,1,0]=3 333 B11R1.189 CCCC1=NC=CC(C#N)=C1 Q62488 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.189 CCNC1=CC=CC(OC)=C1 P38184 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.189 CNCC1=CC=CC(C#N)=C1 P35253 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.189 COC1=CC(CCBr)=CC=C1 P39742 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.189 COC1=CC(CON)=CC=C1 O31688 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.189 COC1=CC=CC(CCN)=N1 Q62431 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.189 COC1=CC=CC(CNN)=C1 C-3257 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.189 N#CC1=CC(CCO)=NC=C1 I-9684 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.189 N#CCC1=CC=CC(C#N)=C1 P40744 [0,1,0,0,0,0|1,0,2]=4 342 B11R1.192 CC1=C(F)C=CC(CCO)=N1 Q53007 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.192 CC1=CC=C(CC#N)C=C1C P38953 [0,1,0,0,0,0|1,0,2]=4 344 B11R1.192 CCOC1=CC(F)=C(C)C=C1 N24366 [0,1,0,0,0,0|2,1,0]=4 345 B11R1.192 CCOC1=CC=C(Br)C(C)=C1 Q66720 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 Q66397 [0,1,0,0,0,0|2,1,0]=4 347 B11R1.192 CCOC1=CC=C(Br)C(F)=C1 Q67492 [0,1,0,0,0,0|2,1,0]=4 348 B11R1.192 CCOC1=CC=C(C)C(Br)=C1 N26273 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.192 CCOC1=CC=C(C)C(O)=C1 N25713 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.192 CCOC1=CC=C(F)C(O)=C1 N25197 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.192 CCOC1=CC=C(O)C(Cl)=C1 N25132 [0,1,0,0,0,0|2,1,0]=4 352 B11R1.192 CNCC1=CC=C(C)C(C)=C1 P40736 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.192 CNCC1=CC=C(F)C(Br)=C1 Q66119 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.192 CNCC1=CC=C(F)C(Cl)=C1 Q66040 [0,1,0,0,0,0|2,1,0]=4 355 B11R1.192 CNCC1=CC=C(F)C(F)=C1 P36292 [0,1,0,0,0,0|2,1,0]=4 356 B11R1.192 COCC1=CC=C(Br)C(C)=C1 N26886 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.192 COCC1=CC=C(Cl)C(Br)=C1 N26925 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.192 ClC1=CC=C(CCBr)C=C1Cl P38351 [0,1,0,0,0,0|1,1,0]=3 359 B11R1.192 FC1=CC=C(CCBr)C=C1F P40504 [0,1,0,0,0,0|1,1,0]=3 360 B11R1.192 N#CCC1=CC=C(Br)C(F)=C1 H-8275 [0,1,0,0,0,0|0,1,2]=4 361 B11R1.192 NCCC1=CC=C(Cl)C(F)=C1 O32009 [0,1,0,0,0,0|0,1,0]=2 362 B11R1.192 NCCC1=CC=C(F)C(F)=C1 P39635 [0,1,0,0,0,0|0,1,0]=2 363 B11R1.192 OCCC1=CC(Br)=C(Cl)N=C1 L18305 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.192 OCCC1=CC=C(F)C(F)=C1 P39050 [0,1,0,0,0,0|1,1,0]=3 365 B11R1.192 OCCC1=CC=C(O)C(O)=C1 M15188 [0,1,0,0,0,0|2,0,0]=3 366 B11R2.35 BrC1=CC(C2CO2)=CC=C1 P39092 [0,0,0,1,0,0|1,0,0]=2 367 B11R2.35 BrC1=CC=CC(C2CC2)=C1 O31879 [0,0,0,1,0,0|1,0,0]=2 368 B11R2.35 BrC1=CN=CC(C2CC2)=C1 N25476 [0,0,0,1,0,0|2,0,0]=3 369 B11R2.35 ClC1=CC(C2CC2)=CC=N1 I-9975 [0,0,0,1,0,0|2,1,0]=4 370 B11R2.35 ClC1=CC(C2CO2)=CC=C1 P39883 [0,0,0,1,0,0|1,1,0]=3 371 B11R2.35 FC1=CC(C2CO2)=CC=C1 P40300 [0,0,0,1,0,0|1,1,0]=3 372 B11R2.35 FC1=CN=CC(C2CC2)=C1 N27151 [0,0,0,1,0,0|2,1,0]=4 373 B11R2.35 NC1=CC(C2CC2)=NC=C1 M23384 [0,0,0,1,0,0|3,0,0]=4 374 B11R2.35 OC1=CC=CC(C2CC2)=C1 O30101 [0,0,0,1,0,0|2,0,0]=3 375 B11R2.36 BrC1=CC2=C(C=C1)CCN2 M15579 [0,0,0,1,0,0|2,0,0]=3 376 B11R2.36 BrC1=CC2=C(C=C1)CNC2 O32275 [0,0,0,1,0,0|2,0,0]=3 377 B11R2.36 BrC1=CC2=C(C=N1)CNC2 O33362 [0,0,0,1,0,0|3,0,0]=4 378 B11R2.36 BrC1=CC2=C(C=N1)NC=C2 G-6654 [0,0,0,1,0,0|1,0,2]=4 379 B11R2.36 BrC1=CC2=C(C=N1)NN=C2 G-5457 [0,0,0,1,0,0|2,0,1]=4 380 B11R2.36 BrC1=CC2=C(N=C1)NC=C2 G-5127 [0,0,0,1,0,0|1,0,2]=4 381 B11R2.36 BrC1=CC2=C(N=C1)NCC2 10616 [0,0,0,1,0,0|1,0,0]=2 382 B11R2.36 BrC1=CC2=C(N=C1)NCC2 Q51813 [0,0,0,1,0,0|1,0,0]=2 383 B11R2.36 BrC1=CC2=C(N=C1)NN=N2 F-4403 [0,0,0,1,0,0|3,0,0]=4 384 B11R2.36 BrC1=CC2=CSN=C2C=C1 O30630 [0,0,0,1,0,0|1,0,2]=4 385 B11R2.36 BrC1=CC2=NSC=C2C=C1 O30952 [0,0,0,1,0,0|3,0,0]=4 386 B11R2.36 BrC1=CC=C2C=CCC2=C1 10753 [0,0,0,1,0,0|1,0,1]=3 387 B11R2.36 BrC1=CC=C2C=COC2=C1 G-5721 [0,0,0,1,0,0|2,0,1]=4 388 B11R2.36 BrC1=CC=C2C=CSC2=C1 G-7750 [0,0,0,1,0,0|2,0,1]=4 389 B11R2.36 BrC1=CC=C2C=NNC2=C1 C-2007 [0,0,0,1,0,0|3,0,0]=4 390 B11R2.36 BrC1=CC=C2CNCC2=C1 C-3625 [0,0,0,1,0,0|2,0,0]=3 391 B11R2.36 BrC1=CC=C2N=CSC2=C1 B-1757 [0,0,0,1,0,0|1,0,2]=4 392 B11R2.36 BrC1=CC=C2NC=NC2=C1 A-847 [0,0,0,1,0,0|1,0,1]=3 393 B11R2.36 BrC1=CC=C2NN=CC2=C1 C-2005 [0,0,0,1,0,0|1,0,1]=3 394 B11R2.36 BrC1=CC=C2NN=CC2=N1 G-5987 [0,0,0,1,0,0|2,0,1]=4 395 B11R2.36 BrC1=CC=C2ON=CC2=C1 L14106 [0,0,0,1,0,0|2,0,1]=4 396 B11R2.36 BrC1=CC=C2SC=NC2=C1 A-964 [0,0,0,1,0,0|2,0,1]=4 397 B11R2.36 BrC1=CN=C2CNCC2=C1 G-6524 [0,0,0,1,0,0|3,0,0]=4 398 B11R2.36 BrC1=CN=C2CNCC2=C1 G-7982 [0,0,0,1,0,0|3,0,0]=4 399 B11R2.36 BrC1=CN=C2NC=NC2=C1 C-2365 [0,0,0,1,0,0|2,0,1]=4 400 B11R2.36 BrC1=CN=C2NN=CC2=C1 C-2475 [0,0,0,1,0,0|2,0,1]=4 401 B11R2.36 BrC1=NC2=C(C=C1)NC=C2 G-5417 [0,0,0,1,0,0|1,0,2]=4 402 B11R2.36 CC1=CC2=C(C=C1)NCC2 O32270 [0,0,0,1,0,0|1,0,0]=2 403 B11R2.36 CC1=CC2=C(C=C1)NN=C2 O34411 [0,0,0,1,0,0|2,0,1]=4 404 B11R2.36 ClC1=CC2=C(C=C1)CCN2 M15570 [0,0,0,1,0,0|2,1,0]=4 405 B11R2.36 ClC1=CC=C2NN=CC2=C1 C-2056 [0,0,0,1,0,0|1,1,1]=4 406 B11R2.36 ClC1=CC=C2OCCC2=C1 M15833 [0,0,0,1,0,0|1,1,0]=3 407 B11R2.36 FC1=CC2=C(C=C1)CCN2 D-2527 [0,0,0,1,0,0|2,1,0]=4 408 B11R2.36 FC1=CC2=C(C=C1)CNC2 L13810 [0,0,0,1,0,0|2,1,0]=4 409 B11R2.36 FC1=CC=C2NN=CC2=C1 C-2101 [0,0,0,1,0,0|1,1,1]=4 410 B11R2.36 FC1=CC=C2OCCC2=C1 Q65592 [0,0,0,1,0,0|1,1,0]=3 411 B11R2.36 IC1=CC2=C(C=C1)CCN2 O31769 [0,0,0,1,0,0|2,1,0]=4 412 B11R2.36 IC1=CC2=C(C=C1)CNC2 H-8930 [0,0,0,1,0,0|2,1,0]=4 413 B11R2.36 IC1=CC2=C(C=C1)CNC2 M15878 [0,0,0,1,0,0|2,1,0]=4 414 B11R2.36 IC1=CC2=C(C=C1)NC=C2 Q55309 [0,0,0,1,0,0|0,1,2]=4 415 B11R2.36 IC1=CC=C2NN=CC2=C1 C-2103 [0,0,0,1,0,0|1,1,1]=4 416 B11R2.36 NC1=CC2=C(C=C1)CCN2 P40883 [0,0,0,1,0,0|3,0,0]=4 417 B11R2.36 NC1=CC2=C(C=C1)NN=C2 C-2139 [0,0,0,1,0,0|2,0,1]=4 418 B11R2.36 NC1=CC=C2OCCC2=C1 M15806 [0,0,0,1,0,0|2,0,0]=3 419 B11R2.36 OC1=CC2=C(C=C1)CNC2 Q57110 [0,0,0,1,0,0|3,0,0]=4 420 B11R2.36 OC1=CC2=C(C=C1)NC=C2 P46527 [0,0,0,1,0,0|1,0,2]=4 421 B11R2.36 OC1=CC2=C(C=C1)NCC2 O32235 [0,0,0,1,0,0|1,0,0]=2 422 B11R2.36 OC1=CC2=C(C=C1)OCC2 N25202 [0,0,0,1,0,0|2,0,0]=3 423 B11R2.106 BrC1=C2C=CNC2=CC=C1 C-3748 [0,0,0,1,0,0|2,0,1]=4 424 B11R2.106 BrC1=C2C=COC2=CC=C1 G-7784 [0,0,0,1,0,0|2,0,1]=4 425 B11R2.106 BrC1=C2C=CSC2=CC=C1 I-9865 [0,0,0,1,0,0|2,0,1]=4 426 B11R2.106 BrC1=C2C=NNC2=CC=C1 C-2006 [0,0,0,1,0,0|3,0,0]=4 427 B11R2.106 BrC1=C2CCNC2=CN=C1 P47773 [0,0,0,1,0,0|3,0,0]=4 428 B11R2.106 BrC1=C2CNCC2=CC=C1 L18234 [0,0,0,1,0,0|2,0,0]=3 429 B11R2.106 BrC1=C2N=CNC2=CC=C1 A-617 [0,0,0,1,0,0|1,0,2]=4 430 B11R2.106 BrC1=C2N=CSC2=CC=C1 O30527 [0,0,0,1,0,0|1,0,2]=4 431 B11R2.106 BrC1=C2NN=CC2=CC=C1 C-2070 [0,0,0,1,0,0|1,0,1]=3 432 B11R2.106 BrC1=C2NN=CC2=CN=C1 F-4062 [0,0,0,1,0,0|2,0,1]=4 433 B11R2.106 BrC1=C2NN=CC2=NC=C1 L21937 [0,0,0,1,0,0|2,0,1]=4 434 B11R2.106 BrC1=C2OC=CC2=CC=C1 O31177 [0,0,0,1,0,0|1,0,2]=4 435 B11R2.106 BrC1=C2OCCC2=CC=C1 M15789 [0,0,0,1,0,0|1,0,0]=2 436 B11R2.106 BrC1=C2OCOC2=CC=C1 O31623 [0,0,0,1,0,0|2,0,0]=3 437 B11R2.106 BrC1=C2SC=NC2=CC=C1 A-963 [0,0,0,1,0,0|2,0,1]=4 438 B11R2.106 BrC1=CC=CC2=C1CCC2 G-5799 [0,0,0,1,0,0|1,0,0]=2 439 B11R2.106 BrC1=CC=CC2=C1CCN2 O30708 [0,0,0,1,0,0|2,0,0]=3 440 B11R2.106 BrC1=CC=CC2=C1CCN2 O34479 [0,0,0,1,0,0|2,0,0]=3 441 B11R2.106 BrC1=CC=CC2=C1CNC2 P51178 [0,0,0,1,0,0|2,0,0]=3 442 B11R2.106 BrC1=CC=CC2=C1NCC2 O30394 [0,0,0,1,0,0|0,0,0]=1 443 B11R2.106 BrC1=CC=CC2=C1ON=C2 G-5045 [0,0,0,1,0,0|2,0,1]=4 444 B11R2.106 BrC1=CC=NC2=C1CCN2 L22021 [0,0,0,1,0,0|3,0,0]=4 445 B11R2.106 BrC1=CC=NC2=C1NC=C2 I-9658 [0,0,0,1,0,0|1,0,2]=4 446 B11R2.106 BrC1=CN=CC2=C1NC=C2 G-6655 [0,0,0,1,0,0|1,0,2]=4 447 B11R2.106 BrC1=CN=CC2=C1NCC2 F-4133 [0,0,0,1,0,0|1,0,0]=2 448 B11R2.106 BrC1=NC=CC2=C1NC=C2 M15218 [0,0,0,1,0,0|1,0,2]=4 449 B11R2.106 BrC1=NC=CC2=C1NN=C2 O30264 [0,0,0,1,0,0|2,0,1]=4 450 B11R2.106 CC1=CC=CC2=C1CNC2 O31189 [0,0,0,1,0,0|3,0,0]=4 451 B11R2.106 CC1=CC=CC2=C1NC=C2 I-9272 [0,0,0,1,0,0|1,0,2]=4 452 B11R2.106 CC1=CC=CC2=C1NN=C2 O34439 [0,0,0,1,0,0|2,0,1]=4 453 B11R2.106 ClC1=C2CCNC2=CC=C1 H-8553 [0,0,0,1,0,0|2,1,0]=4 454 B11R2.106 ClC1=C2NN=CC2=CC=C1 C-2058 [0,0,0,1,0,0|1,1,1]=4 455 B11R2.106 ClC1=CC=CC2=C1CNC2 O32221 [0,0,0,1,0,0|2,1,0]=4 456 B11R2.106 ClC1=CC=CC2=C1NC=C2 Q55310 [0,0,0,1,0,0|0,1,2]=4 457 B11R2.106 ClC1=NC=CC2=C1NCC2 O33103 [0,0,0,1,0,0|1,1,0]=3 458 B11R2.106 FC1=C2NC=CC2=CC=C1 C-3602 [0,0,0,1,0,0|0,1,2]=4 459 B11R2.106 FC1=CC=CC2=C1CCN2 O30386 [0,0,0,1,0,0|2,1,0]=4 460 B11R2.106 FC1=CC=CC2=C1CCN2 P43501 [0,0,0,1,0,0|2,1,0]=4 461 B11R2.106 FC1=CC=CC2=C1NN=C2 Q55643 [0,0,0,1,0,0|1,1,1]=4 462 B11R2.106 IC1=C2NN=CC2=CC=C1 10155 [0,0,0,1,0,0|1,1,1]=4 463 B11R2.106 IC1=CC=CC2=C1CCN2 O30821 [0,0,0,1,0,0|2,1,0]=4 464 B11R2.106 NC1=C2CCOC2=CC=C1 M15821 [0,0,0,1,0,0|3,0,0]=4 465 B11R2.106 NC1=C2COCC2=CC=C1 S72502 [0,0,0,1,0,0|3,0,0]=4 466 B11R2.106 NC1=C2OCCC2=CC=C1 M15777 [0,0,0,1,0,0|2,0,0]=3 467 B11R2.106 NC1=CC=CC2=C1NC=C2 O31787 [0,0,0,1,0,0|1,0,2]=4 468 B11R2.106 NC1=CC=CC2=C1NN=C2 C-2137 [0,0,0,1,0,0|2,0,1]=4 469 B11R2.106 OC1=C2CCOC2=CC=C1 M15862 [0,0,0,1,0,0|3,0,0]=4 470 B11R2.106 OC1=CC=CC2=C1NC=C2 O30805 [0,0,0,1,0,0|1,0,2]=4 471 B11R2.106 OC1=CC=CC2=C1NN=C2 O30543 [0,0,0,1,0,0|2,0,1]=4 472 B9R1.7 CC1=CC=C(CCO)O1 P51657 [0,0,0,0,1,0|3,0,0]=4 473 B9R1.7 CC1=CSC(CCN)=N1 L20707 [0,0,0,0,1,0|3,0,0]=4 474 B9R1.7 CC1=NC(CCN)=CN1 O32293 [0,0,0,0,1,0|3,0,0]=4 475 B9R1.7 CC1=NOC(CCN)=C1 L19848 [0,0,0,0,1,0|3,0,0]=4 476 B9R1.7 CCCN1C=C(Br)C=N1 L14089 [0,0,0,0,1,0|3,0,0]=4 477 B9R1.7 CN1C=C(CCN)C=N1 O29786 [0,0,0,0,1,0|3,0,0]=4 478 B9R1.7 CNCC1=CC=C(Br)S1 P35247 [0,0,0,0,1,0|3,0,0]=4 479 B9R1.7 COCC1=CC=C(Br)S1 N25363 [0,0,0,0,1,0|3,0,0]=4 480 B9R1.7 OCCN1C=C(Br)C=N1 O31175 [0,0,0,0,1,0|3,0,0]=4 481 B9R1.33 CC1=C(CCN)SC=N1 P37210 [0,0,0,0,1,0|3,0,0]=4 482 B8R1.2 BrCC1=CC=CN=C1 P36550 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.2 ICC1=CC=CC=C1 P37031 [2,0,0,0,0,0|1,0,0]=3 484 B8R1.2 NCC1=CC=CN=N1 L21914 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.2 NCC1=CC=NC=C1 O30621 [2,0,0,0,0,0|1,0,0]=3 486 B8R1.2 NCC1=CC=NC=N1 C-2474 [2,0,0,0,0,0|2,0,0]=4 487 B8R1.2 NCC1=CC=NC=N1 L13752 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.2 NCC1=CC=NN=C1 C-3221 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.2 NCC1=CC=NN=C1 C-3221-01 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.2 NCC1=CN=CN=C1 C-3222 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.2 NCC1=CN=CN=C1 L14043 [2,0,0,0,0,0|2,0,0]=4 492 B8R1.2 NCC1=NC=CC=N1 C-3224 [2,0,0,0,0,0|2,0,0]=4 493 B8R1.2 NCC1=NC=CC=N1 C-3224-1 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.2 NCC1=NC=CN=C1 C-3223 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.2 NCC1=NN=CC=C1 C-2473 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.2 NNC1=CC=CN=C1 C-3227 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.2 NNC1=CC=NC=C1 C-3226 [2,0,0,0,0,0|2,0,0]=4 498 B8R1.2 NNC1=CC=NC=C1 L19135 [2,0,0,0,0,0|2,0,0]=4 499 B8R1.2 NNC1=CC=NC=C1 O31964 [2,0,0,0,0,0|2,0,0]=4 500 B8R1.4 BrC1=CC(Br)=NC=C1 G-5938 [2,0,0,0,0,0|2,0,0]=4 501 B8R1.4 BrC1=CC(I)=CN=C1 Q66871 [2,0,0,0,0,0|2,0,0]=4 502 B8R1.4 BrC1=NC(I)=CC=C1 O31854 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.4 BrC1=NC=CC(I)=C1 Q67803 [2,0,0,0,0,0|2,0,0]=4 504 B8R1.4 CC1=CN=CC(Br)=C1 G-7029 [2,0,0,0,0,0|1,0,0]=3 505 B8R1.4 CC1=CN=CC(Br)=N1 O30568 [2,0,0,0,0,0|2,0,0]=4 506 B8R1.4 CC1=CN=CC(F)=C1 P38200 [2,0,0,0,0,0|1,1,0]=4 507 B8R1.4 CC1=CN=CC(N)=C1 S70885 [2,0,0,0,0,0|2,0,0]=4 508 B8R1.4 CC1=CN=CC(O)=C1 O30725 [2,0,0,0,0,0|2,0,0]=4 509 B8R1.4 CC1=NC=CC(Cl)=C1 E-3106 [2,0,0,0,0,0|1,1,0]=4 510 B8R1.4 ClC1=CC=NC(Br)=C1 B-1204 [2,0,0,0,0,0|2,0,0]=4 511 B8R1.4 NC1=CC(=O)NC=C1 C-3231 [2,0,0,0,0,0|2,0,0]=4 512 B8R1.4 NC1=CC(Br)=CC=N1 B-1202 [2,0,0,0,0,0|1,0,0]=3 513 B8R1.4 NC1=CC(Br)=NN=C1 O32375 [2,0,0,0,0,0|2,0,0]=4 514 B8R1.4 NC1=CC(Cl)=NC=C1 G-5361 [2,0,0,0,0,0|1,1,0]=4 515 B8R1.4 NC1=CC(F)=NC=C1 G-7585 [2,0,0,0,0,0|1,1,0]=4 516 B8R1.4 NC1=NC(Cl)=CC=C1 G-5936 [2,0,0,0,0,0|1,1,0]=4 517 B8R1.4 NC1=NC(O)=CC=C1 Q68106 [2,0,0,0,0,0|2,0,0]=4 518 B8R1.4 NC1=NC=CC(Br)=N1 C-2371 [2,0,0,0,0,0|2,0,0]=4 519 B8R1.4 NC1=NC=CC(F)=C1 A-621 [2,0,0,0,0,0|1,1,0]=4 520 B8R1.4 NC1=NC=CC(I)=C1 G-6400 [2,0,0,0,0,0|1,1,0]=4 521 B8R1.4 NC1=NC=CC(O)=C1 E-3010 [2,0,0,0,0,0|2,0,0]=4 522 B8R1.4 O=C1C=C(Br)C=CN1 G-7401 [2,0,0,0,0,0|2,0,0]=4 523 B8R1.4 O=C1C=CNC(Br)=C1 Q52479 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.4 SC1=CC(Br)=CN=C1 Q62298 [2,0,0,0,0,0|2,0,0]=4 525 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 Q67309 [2,0,0,0,0,0|2,0,0]=4 526 B10R1.2 CC1=C(Br)C(CN)=CC=C1 P41922 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.2 CC1=C(Br)C=CC=C1C=O N24620 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.2 CC1=C(Br)C=CC=C1CN P34928 [1,1,0,0,0,0|0,0,0]=2 529 B10R1.2 CC1=C(Br)C=CC=C1CO P35887 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.2 CC1=C(CO)C=CC=C1Cl N24882 [1,1,0,0,0,0|1,1,0]=4 531 B10R1.2 CC1=C(CO)C=NC=C1Br N25848 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.2 CC1=C(F)C(CO)=CC=C1 Q67892 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.2 CC1=C(O)C(CO)=CC=C1 P39563 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.2 CCC1=CC=CC(C)=C1C O30455 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.2 CN1C=CC=C(CN)C1=O I-9789 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.2 CNC1=C(N)C(Br)=NC=C1 O29861 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.2 CNC1=CC=CC(Br)=C1N O31477 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.2 COC1=C(Br)C(O)=CC=C1 O31968 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.2 COC1=C(Cl)C(Br)=CC=C1 Q67395 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.2 COC1=C(Cl)C(N)=CC=C1 L18399 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.2 COC1=C(Cl)C(N)=CC=C1 M24076 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.2 COC1=C(F)C(C)=CC=C1 N25450 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.2 COC1=C(N)C(Br)=CN=C1 L20729 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.2 COC1=C(N)C(N)=CC=C1 O34317 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.2 COC1=C(O)C(Br)=CC=C1 G-5963 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.2 COC1=C(O)C(F)=CC=C1 Q66672 [1,1,0,0,0,0|1,1,0]=4 547 B10R1.2 COC1=C(O)C(F)=CC=C1 Q67743 [1,1,0,0,0,0|1,1,0]=4 548 B10R1.2 COC1=CC=CC(Br)=C1Br Q67513 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.2 COC1=CC=CC(Br)=C1C D-2572 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.2 COC1=CC=CC(Br)=C1F Q67527 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.2 COC1=CC=CC(Br)=C1I N24961 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.2 COC1=CC=CC(F)=C1Cl N25141 [1,1,0,0,0,0|1,1,0]=4 553 B10R1.2 COC1=CC=CC(F)=C1I Q68123 [1,1,0,0,0,0|1,1,0]=4 554 B10R1.2 COC1=CN=CC(Br)=C1C N24131 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.2 CSC1=C(Cl)C(Cl)=CC=C1 Q68599 [1,1,0,0,0,0|1,1,0]=4 556 B10R1.2 CSC1=C(Cl)C(F)=CC=C1 Q68532 [1,1,0,0,0,0|1,1,0]=4 557 B10R1.2 CSC1=C(F)C(F)=CC=C1 N25629 [1,1,0,0,0,0|1,1,0]=4 558 B10R1.2 CSC1=CC=CC(Br)=C1F N25973 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.2 CSC1=CC=CC(F)=C1O N27023 [1,1,0,0,0,0|1,1,0]=4 560 B10R1.2 CSC1=CC=CC(O)=C1F N25513 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.2 CSC1=CN=CC(Br)=C1C N27326 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.2 N#CC1=CC=CC(Br)=C1Br N27708 [1,1,0,0,0,0|0,0,2]=4 563 B10R1.2 N#CC1=CC=CC(Br)=C1O G-5739 [1,1,0,0,0,0|0,0,2]=4 564 B10R1.2 NC1=C(Br)C=CC=C1C=O M15514 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.2 NC1=C(Br)C=CC=C1CO O32343 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.2 NCC1=C(F)C(Br)=CC=N1 Q53096 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.2 NCC1=C(F)C(Br)=CC=N1 Q53097 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.2 NCC1=C(F)C(Cl)=CC=N1 Q53094 [1,1,0,0,0,0|1,1,0]=4 569 B10R1.2 NCC1=C(F)C(Cl)=CC=N1 Q53095 [1,1,0,0,0,0|1,1,0]=4 570 B10R1.2 NCC1=C(F)C(I)=CC=N1 Q53098 [1,1,0,0,0,0|1,1,0]=4 571 B10R1.2 NCC1=C(O)C(O)=CC=C1 P36464 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.2 NCC1=CC=CC(Br)=C1Cl P42860 [1,1,0,0,0,0|0,0,0]=2 573 B10R1.2 O=CC1=C(Br)C(Br)=CC=C1 N25236 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.2 OCC1=C(Br)C(F)=CC=C1 N25113 [1,1,0,0,0,0|1,1,0]=4 575 B10R1.2 OCC1=C(Cl)C(Br)=NC=C1 N26469 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.2 OCC1=CC=CC(Cl)=C1Br P42134 [1,1,0,0,0,0|1,1,0]=4 577 B10R1.2 OCC1=CC=CC(Cl)=C1Cl Q68410 [1,1,0,0,0,0|1,1,0]=4 578 B10R1.2 OCC1=CC=CC(Cl)=C1F Q68242 [1,1,0,0,0,0|1,1,0]=4 579 B10R1.2 OCC1=CC=CC(Cl)=C1O N27736 [1,1,0,0,0,0|1,1,0]=4 580 B10R1.2 OCC1=CC=CC(F)=C1I O31062 [1,1,0,0,0,0|1,1,0]=4 581 B10R1.2 OCC1=CC=CC(I)=C1F N26895 [1,1,0,0,0,0|1,1,0]=4 582 B10R1.2 OCC1=CN=CC(Br)=C1Cl N26404 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.2 OCC1=CN=CC(Br)=C1Cl N27575 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.8 CC1=CC(Br)=CC(C#N)=C1 Q67491 [1,1,0,0,0,0|0,0,2]=4 585 B10R1.8 CC1=CC(Br)=CC(C=O)=C1 Q66838 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.8 CC1=CC(Br)=CC(CN)=C1 P43405 [1,1,0,0,0,0|0,0,0]=2 587 B10R1.8 CC1=CC(Br)=CC(CO)=C1 N24555 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.8 CC1=CC(C)=CC(CO)=C1 Q67964 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.8 CC1=CC(CN)=CC(C)=N1 Q64114 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.8 CC1=CC(CN)=NC(C)=C1 O29514 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.8 CC1=CC(CN)=NC(C)=C1 O31552 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.8 CC1=CC(Cl)=CC(CO)=C1 N26490 [1,1,0,0,0,0|1,1,0]=4 593 B10R1.8 CC1=CC(I)=CC(CO)=C1 O29298 [1,1,0,0,0,0|1,1,0]=4 594 B10R1.8 CCC1=CC(Br)=CC(Br)=C1 Q67820 [1,1,0,0,0,0|0,0,0]=2 595 B10R1.8 CNC1=CC(Cl)=CC(Cl)=C1 P38142 [1,1,0,0,0,0|1,1,0]=4 596 B10R1.8 CNC1=CC(F)=CC(Br)=C1 N25920 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.8 COC1=CC(Br)=CC(Br)=C1 F-4625 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.8 COC1=CC(Br)=CC(N)=C1 O31171 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.8 COC1=CC(Br)=CC(O)=C1 N25535 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.8 COC1=CC(Br)=C[N+]([O-])=C1 O29168 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.8 COC1=CC(Br)=NC(Br)=C1 E-3086 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.8 COC1=CC(Br)=NC(F)=C1 Q62369 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.8 COC1=CC(C)=CC(F)=C1 Q67673 [1,1,0,0,0,0|1,1,0]=4 604 B10R1.8 COC1=CC(Cl)=CC(Br)=N1 O29688 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.8 COC1=CC(F)=CC(O)=C1 Q67667 [1,1,0,0,0,0|1,1,0]=4 606 B10R1.8 COC1=CC(O)=CC(Cl)=C1 N24186 [1,1,0,0,0,0|1,1,0]=4 607 B10R1.8 CSC1=CC(Br)=CC(Br)=C1 Q67818 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.8 CSC1=CC(C)=CC(C)=C1 Q67824 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.8 CSC1=CC(Cl)=CC(Br)=C1 N26848 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.8 CSC1=CC(F)=CC(Br)=C1 Q67817 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.8 CSC1=CC(F)=CC(Cl)=C1 N25740 [1,1,0,0,0,0|1,1,0]=4 612 B10R1.8 CSC1=CC(F)=CC(F)=C1 N24619 [1,1,0,0,0,0|1,1,0]=4 613 B10R1.8 CSC1=CC(F)=CC(O)=C1 N27715 [1,1,0,0,0,0|1,1,0]=4 614 B10R1.8 ClC1=CC(Cl)=CC(CBr)=C1 O32631 [1,1,0,0,0,0|1,1,0]=4 615 B10R1.8 N#CC1=CC(Cl)=CC(Br)=C1 Q66715 [1,1,0,0,0,0|0,0,2]=4 616 B10R1.8 N#CC1=CC(O)=CC(Br)=C1 F-4622 [1,1,0,0,0,0|0,0,2]=4 617 B10R1.8 NCC1=CC(Cl)=NC(Cl)=C1 O30535 [1,1,0,0,0,0|1,1,0]=4 618 B10R1.8 NCC1=CC(Cl)=NC(Cl)=C1 P51195 [1,1,0,0,0,0|1,1,0]=4 619 B10R1.8 NCC1=NC(Cl)=CC(Br)=C1 Q52675 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.8 NCC1=NC(Cl)=CC(Cl)=C1 Q52648 [1,1,0,0,0,0|1,1,0]=4 621 B10R1.8 NNC1=CC(Br)=CC(Br)=C1 Q69185 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.8 O=CC1=CC(Cl)=CC(Br)=C1 Q67022 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.8 O=CC1=CC(O)=CC(Br)=C1 Q68324 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.8 OC1=CC(O)=CC(CBr)=C1 P38735 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.8 OCC1=CC(Br)=CC(Br)=C1 Q67938 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.8 OCC1=CC(Br)=NC(Br)=C1 L13709 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.8 OCC1=CC(Cl)=CC(Br)=C1 Q67835 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.8 OCC1=CC(F)=CC(Br)=C1 P39698 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.8 OCC1=CC(F)=CC(Cl)=C1 Q68066 [1,1,0,0,0,0|1,1,0]=4 630 B10R1.30 CC1=CC=C(Br)C(CO)=C1 N24927 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.30 CC1=CC=C(Br)C=C1C=O Q66367 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.30 CC1=CC=C(Br)C=C1CO O34085 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.30 CC1=CC=C(C)C(CO)=C1 P37558 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.30 CC1=CC=C(Cl)C=C1CO P37211 [1,1,0,0,0,0|1,1,0]=4 635 B10R1.30 CC1=CC=C(F)C(CN)=N1 O31042 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.30 CC1=CC=C(F)C(CO)=C1 Q68220 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.30 CC1=CC=C(F)C=C1CO Q67532 [1,1,0,0,0,0|1,1,0]=4 638 B10R1.30 CC1=CC=C(O)C(CO)=C1 N26156 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.30 CC1=CC=C(O)C=C1CO N24525 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 O29663 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 O31277 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.30 CC1=CNC(=O)C(CN)=C1 Q58409 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.30 CC1=NC=C(Br)C=C1CO P48696 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.30 CCC1=C(O)C=CC(Br)=C1 N24526 [1,1,0,0,0,0|0,0,0]=2 645 B10R1.30 CCC1=CC(Br)=CC=C1Cl Q66646 [1,1,0,0,0,0|0,0,0]=2 646 B10R1.30 CCC1=CC(Br)=CN=C1N O32561 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.30 CCC1=CC(F)=CC=C1N O29402 [1,1,0,0,0,0|0,1,0]=3 648 B10R1.30 CNC1=CC(Br)=CC=C1N O31722 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.30 COC1=C(C)C=CC(O)=C1 N24341 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.30 COC1=C(Cl)C=CC(O)=C1 N24761 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.30 COC1=CC(Br)=CC=C1I Q67115 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.30 COC1=CC(Br)=CN=C1Br N26162 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.30 COC1=CC(Br)=CN=C1C Q52072 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.30 COC1=CC(Br)=CN=C1Cl O31933 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.30 COC1=CC(Br)=CN=C1F Q66585 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.30 COC1=CC(Br)=CN=C1N N24242 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.30 COC1=CC(Br)=NC=C1Br N26243 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.30 COC1=CC(C)=CC=C1Br Q66623 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.30 COC1=CC(Cl)=CC=C1N O30871 [1,1,0,0,0,0|1,1,0]=4 660 B10R1.30 COC1=CC(F)=CC=C1I N24671 [1,1,0,0,0,0|1,1,0]=4 661 B10R1.30 COC1=CC(F)=CC=C1N Q65477 [1,1,0,0,0,0|1,1,0]=4 662 B10R1.30 COC1=CC(O)=CC=C1Br Q67374 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.30 COC1=NC(Br)=CC=C1N O30738 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.30 CSC1=C(C)C=CC(Br)=C1 N24432 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.30 CSC1=CC(Br)=CC=C1Br N24626 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.30 CSC1=CC(Br)=CC=C1F Q67732 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.30 CSC1=CC(C)=CC=C1Br N27752 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.30 CSC1=CC(C)=CC=C1Cl N27754 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.30 CSC1=CC(C)=CC=C1F N27723 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.30 CSC1=CC(I)=CC=C1Br N24878 [1,1,0,0,0,0|1,1,0]=4 671 B10R1.30 ClC1=CC=C(Br)C=C1CBr O32711 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.30 N#CC1=CC(Br)=CC=C1Br N24112 [1,1,0,0,0,0|0,0,2]=4 673 B10R1.30 NC1=CC=C(Br)C=C1C=O G-7659 [1,1,0,0,0,0|1,0,1]=4 674 B10R1.30 NC1=CC=C(Br)C=C1CO G-7692 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.30 NCC1=CC(Br)=CN=C1Cl O29649 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.30 NCC1=CC(Br)=CN=C1Cl Q62471 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.30 NCC1=CC(Br)=CN=C1F O31257 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.30 NCC1=CC(Br)=CN=C1F Q51929 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.30 NCC1=CC(Cl)=CN=C1O O31303 [1,1,0,0,0,0|1,1,0]=4 680 B10R1.30 NCC1=CC(F)=CN=C1Br O29617 [1,1,0,0,0,0|1,1,0]=4 681 B10R1.30 NCC1=CC(F)=CN=C1Cl O29653 [1,1,0,0,0,0|1,1,0]=4 682 B10R1.30 NCC1=CC(F)=NC=C1F H-8374 [1,1,0,0,0,0|1,1,0]=4 683 B10R1.30 O=C1C=CC(=O)C(CO)=C1 P43227 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.30 O=CC1=CC(Br)=CC=C1Br Q67129 [1,1,0,0,0,0|1,0,1]=4 685 B10R1.30 OCC1=C(F)C=CC(I)=C1 N27718 [1,1,0,0,0,0|1,1,0]=4 686 B10R1.30 OCC1=CC(Br)=CN=C1Br N25196 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.30 OCC1=CC(Br)=CN=C1Cl Q67531 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.30 OCC1=CC(Br)=CN=C1F N24974 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.30 OCC1=CC(Br)=NC=C1Br N24743 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.30 OCC1=CC(Br)=NC=C1Cl N25932 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.30 OCC1=CC(Cl)=CC=C1F P40230 [1,1,0,0,0,0|1,1,0]=4 692 B10R1.30 OCC1=NC(Br)=CC=C1F O29869 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 Q52823 [1,1,0,0,0,0|1,1,0]=4 695 B10R1.113 CC(C)C1=CC(O)=NC=C1 Q52824 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.113 CC(C)C1=CC=CC(I)=N1 N26566 [1,1,0,0,0,0|1,1,0]=4 697 B10R1.113 CC(C)C1=CN=CC(O)=C1 Q52825 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.113 CC(N)C1=CC(N)=CC=C1 P41777 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.113 CC(N)C1=CC(O)=CC=C1 P36908 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.113 CC(N)C1=CC=CC(Br)=C1 O34417 [1,1,0,0,0,0|0,0,0]=2 701 B10R1.113 CC(N)C1=CC=CC(Br)=C1 P36288 [1,1,0,0,0,0|0,0,0]=2 702 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 P39424 [1,1,0,0,0,0|0,1,0]=3 703 B10R1.113 CC(N)C1=CC=CC(F)=C1 P36296 [1,1,0,0,0,0|0,1,0]=3 704 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58352 [1,1,0,0,0,0|1,1,0]=4 705 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58353 [1,1,0,0,0,0|1,1,0]=4 706 B10R1.113 CC(O)C1=CC(Cl)=NC=C1 P42079 [1,1,0,0,0,0|1,1,0]=4 707 B10R1.113 CC(O)C1=NC=CC(Br)=C1 Q53431 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.113 CC1=CC(C(C)N)=CC=C1 O30538 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.113 CC1=CC(C(C)N)=CC=C1 P36543 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.113 CC1=NC([C@@H](C)N)=CC=C1 Q58193 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.113 CC1=NC([C@H](C)N)=CC=C1 Q58196 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N24376 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.113 CN(C)C1=CC=CC(F)=C1 P39813 [1,1,0,0,0,0|1,1,0]=4 714 B10R1.113 C[C@@H](N)C1=CC(Cl)=NC=C1 F-4328 [1,1,0,0,0,0|1,1,0]=4 715 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 O29507 [1,1,0,0,0,0|1,1,0]=4 716 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 P43499 [1,1,0,0,0,0|1,1,0]=4 717 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 P51333 [1,1,0,0,0,0|0,0,0]=2 718 B10R1.113 FC(F)C1=CC=CC(Br)=N1 Q52729 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.113 FC(F)C1=NC=CC(Br)=C1 O31681 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [1,1,0,0,0,0|0,1,1]=4 721 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 G-7501 [1,1,0,0,0,0|1,0,1]=4 722 B10R1.172 C#CC1=CC(CN)=CC=C1 M22910 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.172 C#CC1=CC(NC)=CC=C1 M22825 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.172 C#CC1=CC=CC(SC)=C1 L20201 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.172 CCC1=CC(C=O)=CC=C1 Q67834 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.172 CCC1=CC=CC(C#N)=N1 Q52057 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.172 CCC1=CC=CC(CC)=N1 O30631 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.172 CCC1=CC=CC(CO)=C1 N25577 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.172 CCC1=CC=CC(SC)=C1 N25802 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.172 CCC1=NC(C=O)=CC=C1 Q60374 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.172 CCC1=NC(OC)=CC=C1 N25274 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.172 COC1=CC(CN)=CC=N1 C-3608 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.172 COC1=CC(CN)=NC=C1 O31065 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.172 COC1=CC(CN)=NC=C1 P40117 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.172 COC1=CC=CC(CN)=N1 O30234 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.172 COC1=CC=CC(CN)=N1 O30597 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.172 COC1=CN=CC(CN)=C1 G-7874 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.172 COC1=NC=CC(CN)=C1 O30315 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.172 N#CC1=CC(CN)=CC=N1 Q58481 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.172 N#CC1=CC=CC(CN)=C1 P42879 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.172 N#CC1=CC=CC(NN)=C1 O31167 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.172 NCC1=CC=CC(CO)=N1 O29765 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.172 O=CC1=CC=CC(CO)=C1 O34201 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.172 OCC1=CC=CC(CBr)=C1 P35928 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.172 OCC1=CC=CC(CCl)=C1 P40497 [1,1,0,0,0,0|1,1,0]=4 746 B10R1.172 OCC1=NC(CBr)=CC=C1 Q62338 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.176 CC1=C(Cl)C=CC(CN)=C1 A-961 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.176 CC1=C(Cl)C=CC(CO)=C1 N25889 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.176 CC1=C(Cl)N=CC(CN)=C1 O31410 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.176 CC1=CC(CN)=CC=C1Br P41109 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.176 CC1=CC(CN)=CN=C1Cl N26394 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.176 CC1=CC(CN)=NC=C1Br O31342 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.176 CC1=CC(CO)=CC=C1Br N24431 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.176 CC1=CC=C(C=O)C=C1Br Q67254 [1,1,0,0,0,0|1,0,1]=4 755 B10R1.176 CC1=CC=C(CO)C=C1Br Q67930 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.176 CC1=CN=C(CO)C=C1Br M15476 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.176 CC1=NC(CN)=CC=C1O Q62258 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.176 CCC1=CC=C(F)C(Br)=C1 N24841 [1,1,0,0,0,0|0,0,0]=2 759 B10R1.176 CCC1=CC=C(N)C(F)=C1 O34054 [1,1,0,0,0,0|0,1,0]=3 760 B10R1.176 CN1C=C(CN)C=CC1=O L22212 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.176 CN1C=C(CN)C=CC1=O Q51823 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.176 CN1C=CC(CN)=CC1=O C-3606 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.176 CN1C=CC(CN)=CC1=O G-6746 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.176 COC1=CC=C(Br)C(Br)=N1 O32648 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.176 COC1=CC=C(Br)C(I)=C1 Q68050 [1,1,0,0,0,0|1,1,0]=4 766 B10R1.176 COC1=CC=C(Br)C(O)=C1 Q66993 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.176 COC1=CC=C(C)C(Br)=C1 N24125 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.176 COC1=CC=C(C)C(F)=C1 Q67079 [1,1,0,0,0,0|1,1,0]=4 769 B10R1.176 COC1=CC=C(C)C(O)=C1 Q67987 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.176 COC1=CC=C(F)C(I)=C1 N24584 [1,1,0,0,0,0|1,1,0]=4 771 B10R1.176 COC1=CC=C(F)C(O)=C1 Q67529 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.176 COC1=CC=C(I)C(Br)=C1 Q67866 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.176 COC1=CC=C(N)C(I)=C1 Q52916 [1,1,0,0,0,0|1,1,0]=4 774 B10R1.176 COC1=CC=C(N)C(O)=C1 M15200 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.176 COC1=CC=C(N)C(O)=C1 M15201 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.176 COC1=CC=C(O)C(C)=C1 Q67705 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.176 COC1=CN=C(C)C(Br)=C1 I-9994 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.176 COC1=CN=C(N)C(Br)=C1 Q53409 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.176 COC1=NC=C(C)C(Br)=C1 Q62263 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.176 CSC1=CC(F)=C(F)C=C1 N24442 [1,1,0,0,0,0|1,1,0]=4 781 B10R1.176 CSC1=CC(O)=C(C)C=C1 N26961 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.176 CSC1=CC(O)=C(F)C=C1 N27741 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.176 CSC1=CC=C(Br)C(C)=C1 N24368 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.176 CSC1=CC=C(Br)C(F)=C1 N24385 [1,1,0,0,0,0|1,1,0]=4 785 B10R1.176 CSC1=CC=C(O)C(C)=C1 N24608 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.176 FC1=CC=C(CCl)N=C1Br O30914 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.176 FC1=NC=C(C[Ho])C=C1Br P44199 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.176 NC1=CC=C(CO)C=C1Cl O27969 [1,1,0,0,0,0|1,1,0]=4 789 B10R1.176 NCC1=CC(Br)=C(Cl)N=C1 O29516 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.176 NCC1=CC(Cl)=C(Cl)N=C1 O29515 [1,1,0,0,0,0|1,1,0]=4 791 B10R1.176 NCC1=CC(Cl)=C(Cl)N=C1 O31357 [1,1,0,0,0,0|1,1,0]=4 792 B10R1.176 NCC1=CC=C(Cl)C(F)=C1 P36420 [1,1,0,0,0,0|0,1,0]=3 793 B10R1.176 NCC1=CN=C(O)C(Br)=C1 P43424 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.176 NCC1=CN=C(O)C(Cl)=C1 O29589 [1,1,0,0,0,0|1,1,0]=4 795 B10R1.176 NCC1=NC(Cl)=C(Cl)C=C1 P46505 [1,1,0,0,0,0|1,1,0]=4 796 B10R1.176 NCC1=NC(Cl)=C(Cl)C=C1 Q62451 [1,1,0,0,0,0|1,1,0]=4 797 B10R1.176 OCC1=CC(O)=C(F)C=C1 N25036 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.176 OCC1=CC=C(Br)C(Cl)=C1 Q67931 [1,1,0,0,0,0|1,1,0]=4 799 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 N25640 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.176 OCC1=CC=C(O)C(Br)=C1 Q68849 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.1 BrC1=CC=C(CCI)C=C1 P35777 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.1 BrCCC1=CC=C(Br)C=C1 P40516 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.1 CC1=CC=C(CCN)N=C1 Q58444 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.1 CC1=CN=C(CCN)N=C1 Q58694 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.1 CCCC1=CC=C(N)N=C1 Q52924 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.1 CCNC1=CC=C(Br)C=C1 P36614 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.1 CCNC1=CC=C(Cl)C=C1 P41554 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.1 CCNC1=CC=C(F)C=C1 O32514 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.1 CCNC1=CC=C(N)C=C1 P37237 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.1 CCOC1=CC=C(F)C=C1 M23303 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.1 CNCC1=CC=C(Cl)C=C1 P42874 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.1 CNCC1=CC=C(N)C=C1 P38425 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.1 CNCC1=CC=C(O)C=C1 P36065 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.1 COCC1=CC=C(Br)C=C1 Q67196 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.1 FC1=CC=C(CCBr)C=C1 I-9285 [1,1,0,0,0,0|1,0,0]=3 816 B10R1.1 NCCC1=CC=C(Cl)N=C1 P37543 [1,1,0,0,0,0|1,0,0]=3 817 B10R1.1 NCCC1=CC=C(F)C=N1 Q58446 [1,1,0,0,0,0|1,0,0]=3 818 B10R1.1 NCCC1=CC=C(I)C=C1 P36354 [1,1,0,0,0,0|0,0,0]=2 819 B10R1.1 NCCC1=CN=C(Cl)N=C1 Q65338 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.1 NCCC1=CN=C(Cl)N=C1 Q65339 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.1 NCCC1=NC=C(Br)C=C1 G-5600 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.1 NNCC1=CC=C(Br)C=C1 C-3250 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.1 NNCC1=CC=C(Br)C=C1 I-9319 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.1 NNCC1=CC=C(Cl)C=C1 C-3251 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.1 NNCC1=CC=C(Cl)C=C1 Q51808 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.1 NNCC1=CC=C(F)C=C1 C-3247 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.1 NOCC1=CC=C(Cl)C=C1 O31868 [1,1,0,0,0,0|1,0,0]=3 828 B10R1.1 NOCC1=CC=C(F)C=C1 10767 [1,1,0,0,0,0|1,0,0]=3 829 B10R1.1 OCCC1=NC=C(Br)C=C1 G-5598 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.1 OCCC1=NC=C(F)C=C1 O33379 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.4 BrCCC1=CC=CC=C1Br O28100 [1,1,0,0,0,0|1,0,0]=3 832 B10R1.4 CC1=CC=CC=C1CCBr O28115 [1,1,0,0,0,0|1,0,0]=3 833 B10R1.4 CC1=CC=CN=C1CCN P35791 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.4 CCCC1=C(C)C=CN=C1 N27219 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.4 CCNC1=CC=CC=C1Br P36583 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.4 CCNC1=CC=CC=C1Cl P41555 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.4 CCNC1=CC=CC=C1F P39148 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.4 CCNC1=CC=CC=C1N P39464 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.4 CNCC1=CC=CC=C1C P35580 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.4 CNCC1=CC=CC=C1N P40191 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.4 COCC1=CC=CC=C1Br Q67462 [1,1,0,0,0,0|2,0,0]=4 842 B10R1.4 NC1=C(CCF)C=NC=C1 Q65355 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.4 NCCC1=C(Br)C=CC=N1 L13097 [1,1,0,0,0,0|1,0,0]=3 844 B10R1.4 NCCC1=CC=CC=C1N P42500 [1,1,0,0,0,0|0,0,0]=2 845 B10R1.4 NCCC1=CC=CC=C1O M22991 [1,1,0,0,0,0|0,0,0]=2 846 B10R1.4 NCCC1=NC=CC=C1F Q58445 [1,1,0,0,0,0|1,0,0]=3 847 B10R1.4 NCCN1C=CC=NC1=O L18972 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.4 NCCN1N=CC=CC1=O L20650 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.4 NNCC1=C(Br)C=CC=C1 G-5141 [1,1,0,0,0,0|1,0,0]=3 850 B10R1.4 NNCC1=C(Br)C=CC=C1 Q51807 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.4 NNCC1=C(Cl)C=CC=C1 C-3252 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.4 NNCC1=C(F)C=CC=C1 C-3249 [1,1,0,0,0,0|1,0,0]=3 853 B10R1.4 OC1=CC=CC=C1CCBr P37343 [1,1,0,0,0,0|1,0,0]=3 854 B10R1.4 OCCC1=C(Cl)C=NC=C1 Q69549 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.4 OCCC1=CC=CC=C1O P36102 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.4 OCCC1=NC=CC=C1F L14825 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [1,1,0,0,0,0|1,0,0]=3 858 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [1,1,0,0,0,0|1,0,1]=4 862 B10R1.15 NC(CO)C1=CC=NC=C1 Q53510 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [1,1,0,0,0,0|0,0,0]=2 864 B10R1.15 NCC(O)C1=CC=CN=C1 O32747 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.15 NCC(O)C1=CC=CN=C1 P43089 [1,1,0,0,0,0|1,0,0]=3 866 B10R1.15 NCC(O)C1=CC=NC=C1 P35258 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.15 NCC(O)C1=NC=CC=C1 P35259 [1,1,0,0,0,0|1,0,0]=3 868 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [1,1,0,0,0,0|0,0,0]=2 869 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [1,1,0,0,0,0|0,0,0]=2 870 B10R1.15 OC(CCl)C1=CC=CN=C1 O32660 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.17 C#CCOC1=CC=CC=C1 P41520 [1,1,0,0,0,0|1,0,1]=4 872 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [1,1,0,0,0,0|1,0,1]=4 873 B10R1.17 CCCCC1=CC=NC=C1 O30545 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.17 CNCCC1=CC=CC=C1 P37213 [1,1,0,0,0,0|0,0,0]=2 875 B10R1.17 CNCCC1=CC=NC=C1 P37446 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.17 CNCCC1=NC=CC=C1 P40087 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.17 ICCCC1=CC=CC=C1 P38180 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.17 NCC#CC1=CC=CC=N1 Q58471 [1,1,0,0,0,0|1,0,1]=4 879 B10R1.17 NCC#CC1=CC=CC=N1 Q58472 [1,1,0,0,0,0|1,0,1]=4 880 B10R1.17 NCCCC1=CC=NC=C1 P38929 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.17 NCCNC1=NC=CC=C1 P34736 [1,1,0,0,0,0|1,0,0]=3 882 B10R1.17 NCCNC1=NC=CC=C1 P36299 [1,1,0,0,0,0|1,0,0]=3 883 B10R1.17 NCCOC1=CC=CN=C1 O34354 [1,1,0,0,0,0|1,0,0]=3 884 B10R1.17 NCCOC1=CC=NC=C1 P51450 [1,1,0,0,0,0|1,0,0]=3 885 B10R1.17 NCCOC1=NC=CC=C1 O34316 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.17 NC\C=C\C1=CC=CN=C1 Q58489 [1,1,0,0,0,0|1,0,1]=4 887 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [1,1,0,0,0,0|1,0,1]=4 890 B10R1.17 OCCCC1=NC=CC=C1 P39056 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [1,1,0,0,0,0|1,0,1]=4 892 B10R1.187 CN1N=CC(Br)=C1CCN O31408 [0,1,0,0,1,0|2,0,0]=4 893 B10R1.187 NCCN1C(=O)C=CC1=O 10101 [0,1,0,0,1,0|2,0,0]=4 894 B10R1.187 NCCN1C(=O)C=CC1=O M23142 [0,1,0,0,1,0|2,0,0]=4 895 B12R1.24 NCC(O)C1=CC=CC(Cl)=C1Cl P41636 [0,2,0,0,0,0|0,1,0]=3 896 B12R1.25 NCCCC1=C(O)C(O)=CC=C1 P36042 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.25 NCCOC1=CC=CC(Cl)=C1Cl P36654 [0,2,0,0,0,0|0,1,0]=3 898 B12R1.25 OCCCC1=CC=CC(F)=C1F P42804 [0,2,0,0,0,0|1,1,0]=4 899 B12R1.40 CCOC1=CC(Br)=CC(F)=C1F O29201 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.224 CC(C)OC1=CC=CC(Br)=C1F N26217 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.224 CN(C)CC1=CC=CC(Br)=C1F N26641 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.544 FC1=C(F)C(F)=C(CCBr)C=C1 L21645 [0,2,0,0,0,0|1,1,0]=4 903 B12R1.10 CCC(C)(N)C1=CC=CC(Cl)=C1 M22935 [0,2,0,0,0,0|1,1,0]=4 904 B12R1.13 CCN(CC)C1=CC=CC(Br)=C1 Q65663 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.13 OCC(CO)C1=CC=CC(Br)=C1 P36126 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.17 CC1=CC(C(N)CCO)=CC=C1 P36619 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 P39716 [0,2,0,0,0,0|1,1,0]=4 908 B12R1.17 NC(CCO)C1=CC=CC(Br)=C1 P36053 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 O30501 [0,2,0,0,0,0|1,1,0]=4 910 B12R1.17 NC(CCO)C1=CC=CC(F)=C1 P36600 [0,2,0,0,0,0|1,1,0]=4 911 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 P42271 [0,2,0,0,0,0|1,1,0]=4 912 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 P42264 [0,2,0,0,0,0|1,1,0]=4 913 B12R1.17 N[C@H](CCO)C1=CC=CC(Cl)=C1 P42256 [0,2,0,0,0,0|1,1,0]=4 914 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 Q69139 [0,2,0,0,0,0|1,1,0]=4 915 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 P39436 [0,2,0,0,0,0|1,0,1]=4 916 B12R1.225 CC(N)C(O)C1=CC(O)=CC=C1 L20369 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 O30706 [0,2,0,0,0,0|1,0,1]=4 918 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Br)=C1 P41079 [0,2,0,0,0,0|1,0,1]=4 919 B12R1.225 O=C(C1=CC=CC(Br)=C1)C(F)F O31514 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.225 O=C(O)C(O)C1=CC=CC(Br)=C1 M23024 [0,2,0,0,0,0|1,0,1]=4 921 B12R1.354 NCC(O)C1=CC(F)=CC=C1F P41635 [0,2,0,0,0,0|0,1,0]=3 922 B12R1.358 CC1=CC(Br)=CC(C(=O)CBr)=C1 P43315 [0,2,0,0,0,0|1,0,1]=4 923 B12R1.358 NC(CO)C1=CC(Cl)=CC(Cl)=C1 P38474 [0,2,0,0,0,0|1,1,0]=4 924 B12R1.358 NC(CO)C1=CC(F)=CC(F)=C1 P38381 [0,2,0,0,0,0|1,1,0]=4 925 B12R1.358 NCC(=O)C1=CC(F)=CC(F)=C1 P42401 [0,2,0,0,0,0|0,1,1]=4 926 B12R1.358 NCC(O)C1=CC(F)=CC(F)=C1 P41634 [0,2,0,0,0,0|0,1,0]=3 927 B12R1.367 CC1=CC=C(C(=O)CBr)C=C1Br M15182 [0,2,0,0,0,0|1,0,1]=4 928 B12R1.367 CC1=CC=C(C(N)CO)C=C1C P35197 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.367 CC1=CC=C(C(O)CN)C=C1C P36058 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.367 NC(CO)C1=CC=C(Cl)C(F)=C1 P42063 [0,2,0,0,0,0|1,1,0]=4 931 B12R1.367 NC(CO)C1=CC=C(F)C(Cl)=C1 P35017 [0,2,0,0,0,0|1,1,0]=4 932 B12R1.367 NC(CO)C1=CC=C(F)C(F)=C1 P39677 [0,2,0,0,0,0|1,1,0]=4 933 B12R1.367 NCC(=O)C1=CC=C(Cl)C(Cl)=C1 P38157 [0,2,0,0,0,0|0,1,1]=4 934 B12R1.367 NCC(=O)C1=CC=C(F)C(F)=C1 P42286 [0,2,0,0,0,0|0,1,1]=4 935 B12R1.367 NCC(O)C1=CC=C(Cl)C(Cl)=C1 P38572 [0,2,0,0,0,0|0,1,0]=3 936 B12R1.367 NCC(O)C1=CC=C(F)C(F)=C1 P43069 [0,2,0,0,0,0|0,1,0]=3 937 B12R1.367 N[C@@H](CO)C1=CC=C(F)C(Cl)=C1 P35016 [0,2,0,0,0,0|1,1,0]=4 938 B12R1.367 N[C@@H](CO)C1=CC=C(F)C(F)=C1 P39117 [0,2,0,0,0,0|1,1,0]=4 939 B12R1.367 N[C@H](CO)C1=CC=C(F)C(Cl)=C1 P37881 [0,2,0,0,0,0|1,1,0]=4 940 B12R1.367 N[C@H](CO)C1=CC=C(F)C(F)=C1 P41874 [0,2,0,0,0,0|1,1,0]=4 941 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 P39449 [0,2,0,0,0,0|1,0,1]=4 942 B12R1.435 COC1=CC(C(N)CO)=CC=C1 P38813 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.435 COC1=CC(C(O)CN)=CC=C1 P39138 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 P36199 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 P42270 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.28 BrCCCCC1=CC=CC(Br)=C1 M22716 [0,2,0,0,0,0|1,0,0]=3 947 B12R1.28 C=CCOCC1=CC=CC(Br)=C1 N25493 [0,2,0,0,0,0|1,0,0]=3 948 B12R1.28 CC1=CC(CCCCBr)=CC=C1 M22773 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.28 CC1=CC(CCCCI)=CC=C1 M22749 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.28 CC1=CC(CCCCN)=CC=C1 P41305 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.28 CC1=CC(CCCCO)=CC=C1 P37676 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.28 CCCNCC1=CC(Br)=CC=C1 N24121 [0,2,0,0,0,0|1,0,0]=3 953 B12R1.28 CCCNCC1=CC=CC(C)=C1 P40841 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 P38354 [0,2,0,0,0,0|1,1,0]=4 955 B12R1.28 CCCNCC1=CC=CC(F)=C1 P35256 [0,2,0,0,0,0|1,1,0]=4 956 B12R1.28 CNCCOC1=CC=CC(F)=C1 P35491 [0,2,0,0,0,0|0,1,0]=3 957 B12R1.28 COCCOC1=CC(Br)=CN=C1 N24628 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.28 COCCOC1=CC(I)=CC=C1 P38376 [0,2,0,0,0,0|1,1,0]=4 959 B12R1.28 COCCOC1=CC(N)=CC=C1 P42657 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.28 ClC1=CC(CCCCBr)=CC=C1 M22733 [0,2,0,0,0,0|1,1,0]=4 961 B12R1.28 FC1=CC(CCCCBr)=CC=C1 M22740 [0,2,0,0,0,0|1,1,0]=4 962 B12R1.28 NC1=CC(OCCCO)=CC=C1 P42246 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.28 NCCCCC1=CC=CC(Cl)=C1 P40368 [0,2,0,0,0,0|0,1,0]=3 964 B12R1.28 NCCCCC1=CC=CC(F)=C1 P41608 [0,2,0,0,0,0|0,1,0]=3 965 B12R1.28 OCCCCC1=CC=CC(Br)=C1 P39680 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.28 OCCCCC1=CC=CC(Cl)=C1 P36219 [0,2,0,0,0,0|1,1,0]=4 967 B12R1.28 OCCCCC1=CC=CC(F)=C1 P36220 [0,2,0,0,0,0|1,1,0]=4 968 B12R1.50 CC1=CC(CC(N)CO)=CC=C1 P38591 [0,2,0,0,0,0|1,0,0]=3 969 B12R1.50 CC1=CC(C[C@@H](N)CO)=CC=C1 P36120 [0,2,0,0,0,0|1,0,0]=3 970 B12R1.50 CCC(=O)CC1=CC=CC(C)=C1 P40770 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 P37115 [0,2,0,0,0,0|1,1,0]=4 972 B12R1.50 NC(CO)CC1=CC=CC(Br)=C1 P39329 [0,2,0,0,0,0|0,0,0]=2 973 B12R1.50 NC(CO)CC1=CC=CC(Cl)=C1 P38434 [0,2,0,0,0,0|0,1,0]=3 974 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 P38589 [0,2,0,0,0,0|0,1,0]=3 975 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 P36762 [0,2,0,0,0,0|0,1,1]=4 976 B12R1.50 N[C@@H](CO)CC1=CC=CC(F)=C1 P36121 [0,2,0,0,0,0|0,1,0]=3 977 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 P37966 [0,2,0,0,0,0|0,0,0]=2 978 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 P34978 [0,2,0,0,0,0|0,1,0]=3 979 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 P34977 [0,2,0,0,0,0|0,1,0]=3 980 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 O32163 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.50 O=C(CBr)CC1=CC=CC(Cl)=C1 O29302 [0,2,0,0,0,0|1,1,0]=4 982 B12R1.100 C#CCOC1=CC(Br)=CC(Br)=C1 O28996 [0,2,0,0,0,0|1,0,1]=4 983 B12R1.100 CC1=CC(C)=CC(CCCN)=C1 P41303 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.100 CCCOC1=CC(Br)=CC(Br)=C1 O29127 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.100 COCOC1=CC(Br)=CC(Br)=C1 O29068 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.100 COCOC1=CC(Cl)=CC(Br)=C1 Q67420 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.100 COCOC1=CC(F)=CC(Br)=C1 Q67144 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.100 FC1=CC(F)=CC(CCCBr)=C1 P35595 [0,2,0,0,0,0|1,1,0]=4 989 B12R1.100 NCCCC1=CC(F)=CC(F)=C1 P42825 [0,2,0,0,0,0|0,1,0]=3 990 B12R1.100 NCCOC1=CC(Cl)=CC(Cl)=C1 P36644 [0,2,0,0,0,0|0,1,0]=3 991 B12R1.100 OCCCC1=CC(F)=CC(F)=C1 P42826 [0,2,0,0,0,0|1,1,0]=4 992 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [0,2,0,0,0,0|1,0,1]=4 993 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 P42663 [0,2,0,0,0,0|1,0,0]=3 994 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 P35254 [0,2,0,0,0,0|1,1,0]=4 995 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 P35255 [0,2,0,0,0,0|1,1,0]=4 996 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.226 CC1=CC(CNC(C)C)=CC=C1 P35131 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 P37053 [0,2,0,0,0,0|0,0,0]=2 999 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [0,2,0,0,0,0|1,1,0]=4 1000 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [0,2,0,0,0,0|1,1,0]=4 1001 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 P38138 [0,2,0,0,0,0|1,0,1]=4 1002 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 O28084 [0,2,0,0,0,0|1,0,1]=4 1003 B12R1.374 CCCOC1=CC(F)=CC=C1Br Q68052 [0,2,0,0,0,0|1,1,0]=4 1004 B12R1.374 COCOC1=C(F)C=CC(Br)=C1 N26823 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.374 COCOC1=CC(Br)=CC=C1C O29116 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.374 FC1=CC=C(F)C(CCCBr)=C1 P42799 [0,2,0,0,0,0|1,1,0]=4 1007 B12R1.374 NC1=CC=C(F)C=C1OCCO P42988 [0,2,0,0,0,0|1,1,0]=4 1008 B12R1.374 OCCCC1=CC(F)=CC=C1F P35584 [0,2,0,0,0,0|1,1,0]=4 1009 B12R1.382 CCNCC1=CC=CC(OC)=C1 Q66019 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.382 CNCCC1=CC=CC(OC)=C1 P38740 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.382 COC1=CC(CCCBr)=CC=C1 P36566 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.382 COC1=CC(CCCN)=CC=C1 P40261 [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.382 COC1=CC(CCCO)=CC=C1 O28944 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.382 COC1=CC(OCCN)=CC=C1 P36840 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.382 COC1=CC(OCCO)=CC=C1 P38700 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.385 CC1=CC(OCCN)=CC=C1Cl P36839 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.385 CC1=CC=C(CCCN)C=C1C P41304 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.385 CC1=CC=C(OCCBr)C=C1C P38742 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.385 CC1=CC=C(OCCN)C=C1C M23033 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.385 CC1=CC=C(SCCO)C=C1Br O31390 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.385 CCCOC1=CC=C(Br)C(F)=C1 Q67470 [0,2,0,0,0,0|1,1,0]=4 1022 B12R1.385 CCCOC1=CC=C(C)C(Br)=C1 N26854 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 O31767 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.385 CNCCC1=CC=C(Cl)C(Cl)=C1 P37636 [0,2,0,0,0,0|0,1,0]=3 1025 B12R1.385 COCOC1=CC=C(C)C(Br)=C1 Q66703 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.385 FC1=CC=C(CCCBr)C=C1F P42798 [0,2,0,0,0,0|1,1,0]=4 1027 B12R1.385 NCCCC1=CC=C(Cl)C(Cl)=C1 P36171 [0,2,0,0,0,0|0,1,0]=3 1028 B12R1.385 NCCCC1=CC=C(Cl)C(F)=C1 P37976 [0,2,0,0,0,0|0,1,0]=3 1029 B12R1.385 NCCCC1=CC=C(F)C(F)=C1 P38447 [0,2,0,0,0,0|0,1,0]=3 1030 B12R1.385 NCCCC1=CC=C(O)C(O)=C1 P37643 [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.385 OCCCC1=CC=C(F)C(F)=C1 P38961 [0,2,0,0,0,0|1,1,0]=4 1032 B12R1.41 CCOC1=CC(C=O)=CC(Br)=C1 N24983 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.41 CCOC1=CC(OC)=CC(Br)=C1 N27432 [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.101 CC(C)OC1=CC(Br)=CC(Br)=C1 Q67475 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.101 CC(C)OC1=CC(F)=CC(Br)=C1 N24800 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.19 CC1=CC=C(CN(C)C)C=C1Br N27159 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.19 CC1=CC=C(OC(C)C)C=C1Br Q67569 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.127 CC(C)OC1=CC(Br)=CC=C1Br Q67742 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.127 CC(C)OC1=CC(Br)=CC=C1Cl Q67788 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.127 CC(C)OC1=CC(Br)=CC=C1F Q67481 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.127 CC1=CC=C(Br)C=C1CC(=O)O P35765 [0,2,0,0,0,0|1,0,1]=4 1042 B12R1.127 CC1=CC=C(Br)C=C1OC(C)C Q66416 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.127 CN(C)CC1=C(F)C=CC(Br)=C1 N24552 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1Br Q52414 [0,2,0,0,0,0|1,0,1]=4 1045 B12R1.438 CC(C)OC1=CC(CBr)=CC=C1 P40307 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.1123 CCOC1=C(F)C=C(F)C(Br)=C1 Q68338 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.1123 FC1=CC(F)=C(CCBr)C=C1F I-9708 [0,2,0,0,0,0|1,1,0]=4 1048 B12R1.278 CCOC1=CC(CCO)=CC=C1 Q66109 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.279 NCCC1=CC(C(=O)O)=CC=C1 P36745 [0,2,0,0,0,0|1,0,0]=3 1050 B12R1.279 NCCC1=CC=CC([N+](=O)[O-])=C1 P40197 [0,2,0,0,0,0|1,0,0]=3 1051 B12R1.279 O=C(O)C1=CC=CC(CCO)=C1 O31031 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.279 O=[N+]([O-])C1=CC(CCO)=CC=C1 O28059 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.288 COCC1=CC=C(OC)C(Br)=C1 Q67879 [0,2,0,0,0,0|2,0,0]=4 1054 B10R1.25 NCC1=CC=C(Br)C=C1Cl P36148 [0,0,1,1,0,0|1,0,1]=4 1055 B10R2.6 C1=CC(C2CC2)=CC=N1 N25361 [1,0,0,1,0,0|2,0,0]=4 1056 B10R2.6 C1=CC=C(C2CN2)C=C1 P41085 [1,0,0,1,0,0|0,0,0]=2 1057 B10R2.6 C1=CN=C(C2CC2)C=C1 K12338 [1,0,0,1,0,0|2,0,0]=4 1058 B10R2.7 C1=CC=C2CNCC2=C1 P44607 [1,0,0,1,0,0|2,0,0]=4 1059 B10R2.7 C1=CN=C2CCNC2=C1 O29585 [1,0,0,1,0,0|1,0,0]=3 1060 B10R2.7 C1=CN=C2NCCC2=C1 C-3425 [1,0,0,1,0,0|1,0,0]=3 1061 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [1,0,0,1,0,0|0,0,0]=2 1062 B12R2.81 CC1=C(C2CC2)C=NC=C1Br N26197 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.82 BrC1=C(I)C2=C(C=C1)OCO2 N26529 [0,1,0,1,0,0|2,0,0]=4 1064 B12R2.82 BrC1=CC=C2NN=CC2=C1Br N27189 [0,1,0,1,0,0|1,0,1]=4 1065 B12R2.82 CC1=C(Br)C2=C(C=C1)C=NN2 O31420 [0,1,0,1,0,0|1,0,1]=4 1066 B12R2.82 CC1=C(Br)C=CC2=C1C=CN2 L14696 [0,1,0,1,0,0|0,0,2]=4 1067 B12R2.82 CC1=C(Br)C=CC2=C1C=NN2 A-700 [0,1,0,1,0,0|1,0,1]=4 1068 B12R2.82 ClC1=C(Br)C2=C(C=C1)C=NN2 O33375 [0,1,0,1,0,0|1,0,1]=4 1069 B12R2.82 ClC1=C(Br)C=CC2=C1C=NN2 L14193 [0,1,0,1,0,0|1,0,1]=4 1070 B12R2.82 FC1=C(Br)C2=C(C=CN2)C=C1 O32143 [0,1,0,1,0,0|0,0,2]=4 1071 B12R2.82 FC1=C(Br)C=CC2=C1C=CN2 L14129 [0,1,0,1,0,0|0,0,2]=4 1072 B12R2.82 FC1=C(Br)C=CC2=C1C=NN2 I-9129 [0,1,0,1,0,0|1,0,1]=4 1073 B12R2.82 FC1=C(Br)C=CC2=C1NCC2 P47167 [0,1,0,1,0,0|0,1,0]=3 1074 B12R2.82 OC1=C(Br)C2=C(C=C1)C=NN2 Q55671 [0,1,0,1,0,0|1,0,1]=4 1075 B12R2.202 NC1=CC2=CC=CC(Br)=C2S1 I-9704 [0,1,0,1,0,0|0,0,2]=4 1076 B12R2.202 NC1=NC2=C(Br)C=CC=C2N1 P51255 [0,1,0,1,0,0|1,0,1]=4 1077 B12R2.202 NC1=NC2=C(Br)C=CC=C2S1 P51367 [0,1,0,1,0,0|1,0,1]=4 1078 B12R2.202 O=C1CC2=C(C1)C(Br)=CC=C2 G-5797 [0,1,0,1,0,0|1,0,1]=4 1079 B12R2.202 O=C1CC2=C(N1)C(Br)=CC=N2 Q54336 [0,1,0,1,0,0|1,0,1]=4 1080 B12R2.202 O=C1CC2=CC=NC(Br)=C2N1 Q53169 [0,1,0,1,0,0|1,0,1]=4 1081 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 L13395 [0,1,0,1,0,0|1,0,1]=4 1082 B12R2.1081 BrC1=C2CCCCC2=CC=N1 I-9082 [0,1,0,1,0,0|2,0,0]=4 1083 B12R2.1081 BrC1=C2CCCNC2=CC=C1 I-9935 [0,1,0,1,0,0|1,0,0]=3 1084 B12R2.1081 BrC1=C2CCNCC2=CC=C1 Q56483 [0,1,0,1,0,0|1,0,0]=3 1085 B12R2.1081 BrC1=C2CNCCC2=CN=C1 L22244 [0,1,0,1,0,0|1,0,0]=3 1086 B12R2.1081 BrC1=CN=CC2=C1NCCC2 F-4134 [0,1,0,1,0,0|1,0,0]=3 1087 B12R2.1081 NC1=C2NCCCC2=CN=C1 L20096 [0,1,0,1,0,0|2,0,0]=4 1088 B12R2.1081 NC1=C2OCCOC2=CC=C1 C-2956 [0,1,0,1,0,0|2,0,0]=4 1089 B12R2.1081 OC1=C2NCCCC2=CC=C1 10586 [0,1,0,1,0,0|1,0,0]=3 1090 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 O34598 [0,1,0,1,0,0|0,1,0]=3 1091 B12R2.80 NC1CC1C2=CC=CC(F)=C2 O34562 [0,1,0,1,0,0|0,1,0]=3 1092 B12R2.132 BrC1=CC=C2NC=C(I)C2=C1 Q60085 [0,1,0,1,0,0|0,0,2]=4 1093 B12R2.132 BrC1=CC=C2NN=C(I)C2=C1 C-2098 [0,1,0,1,0,0|1,0,1]=4 1094 B12R2.132 CC1=CC2=C(C=C1)CCC2N P38544 [0,1,0,1,0,0|2,0,0]=4 1095 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 Q55299 [0,1,0,1,0,0|0,0,2]=4 1096 B12R2.132 CC1=NNC2=CC=C(Br)C=C21 C-2092 [0,1,0,1,0,0|1,0,1]=4 1097 B12R2.132 ClC1=NNC2=CC=C(Br)C=C21 C-2854 [0,1,0,1,0,0|1,0,1]=4 1098 B12R2.132 FC1=NNC2=C1C=C(Br)C=C2 O32591 [0,1,0,1,0,0|1,0,1]=4 1099 B12R2.132 NC1=NNC2=C1C=C(Br)C=C2 C-2129 [0,1,0,1,0,0|1,0,1]=4 1100 B12R2.132 NC1CCC2=C1C=C(Br)C=C2 P42338 [0,1,0,1,0,0|1,0,0]=3 1101 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 P36711 [0,1,0,1,0,0|1,1,0]=4 1102 B12R2.132 NC1CCC2=C1C=C(F)C=C2 M23347 [0,1,0,1,0,0|1,1,0]=4 1103 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 L18503 [0,1,0,1,0,0|2,0,0]=4 1104 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 A-509 [0,1,0,1,0,0|1,0,1]=4 1105 B12R2.132 O=C1COC2=CC=C(Br)C=C12 B-1771 [0,1,0,1,0,0|1,0,1]=4 1106 B12R2.132 OC1CCC2=C1C=C(Cl)C=C2 P37662 [0,1,0,1,0,0|1,1,0]=4 1107 B12R2.132 OC1CCC2=CC=C(Br)C=C21 N24956 [0,1,0,1,0,0|1,0,0]=3 1108 B12R2.196 BrC1=C2NN=C(I)C2=CC=C1 C-2100 [0,1,0,1,0,0|1,0,1]=4 1109 B12R2.196 CC1=CC=CC2=C1CCC2N M22843 [0,1,0,1,0,0|2,0,0]=4 1110 B12R2.196 CC1=CNC2=C1C=CC=C2Br O30302 [0,1,0,1,0,0|0,0,2]=4 1111 B12R2.196 CC1=NNC2=C1C=CC=C2Br G-5466 [0,1,0,1,0,0|1,0,1]=4 1112 B12R2.196 ClC1=NNC2=C(Br)C=CC=C12 L18472 [0,1,0,1,0,0|1,0,1]=4 1113 B12R2.196 NC1CCC2=C1C=CC=C2Br L22472 [0,1,0,1,0,0|1,0,0]=3 1114 B12R2.196 NC1CCC2=C1C=CC=C2Cl P36710 [0,1,0,1,0,0|1,1,0]=4 1115 B12R2.196 NC1CCC2=C1C=CC=C2F M23042 [0,1,0,1,0,0|1,1,0]=4 1116 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F S72703 [0,1,0,1,0,0|1,1,0]=4 1117 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 E-3117 [0,1,0,1,0,0|1,0,1]=4 1118 B12R2.196 O=C1COC2=C(Br)C=CC=C12 L22354 [0,1,0,1,0,0|1,0,1]=4 1119 B12R2.196 OC1CCC2=C1C=CC=C2Br P40723 [0,1,0,1,0,0|1,0,0]=3 1120 B12R2.196 OC1CCC2=C1C=CC=C2Cl P38853 [0,1,0,1,0,0|1,1,0]=4 1121 B12R2.1282 CC1=CC(C2(N)CC2)=CC=C1 P37815 [0,1,0,1,0,0|2,0,0]=4 1122 B12R2.1282 NC1(C2=CC(Br)=CN=C2)CC1 O33202 [0,1,0,1,0,0|2,0,0]=4 1123 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 P37506 [0,1,0,1,0,0|1,0,0]=3 1124 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 P37942 [0,1,0,1,0,0|1,1,0]=4 1125 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 P36192 [0,1,0,1,0,0|1,1,0]=4 1126 B12R2.1282 NC1(C2=CC=CC(I)=C2)CC1 P36098 [0,1,0,1,0,0|1,1,0]=4 1127 B12R2.2313 BrC1=CC(C2CCC2)=CC=C1 N25708 [0,1,0,1,0,0|1,0,0]=3 1128 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 O33220 [0,1,0,1,0,0|0,0,0]=2 1129 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 G-7246 [0,1,0,1,0,0|1,0,0]=3 1130 B12R2.2313 BrC1=CC(N2CCC2)=CC=C1 Q69621 [0,1,0,1,0,0|1,0,0]=3 1131 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 G-6479 [0,1,0,1,0,0|1,0,0]=3 1132 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 P38383 [0,1,0,1,0,0|1,0,0]=3 1133 B12R2.24 BrC1=CC2=C(CCNC2)N=C1 G-7628 [0,1,0,1,0,0|2,0,0]=4 1134 B12R2.24 BrC1=CC2=C(CCNC2)N=C1 P51123 [0,1,0,1,0,0|2,0,0]=4 1135 B12R2.24 BrC1=CC2=C(CCNC2)N=C1 Q52029 [0,1,0,1,0,0|2,0,0]=4 1136 B12R2.24 BrC1=CC=C2CCNCC2=C1 G-6480 [0,1,0,1,0,0|1,0,0]=3 1137 B12R2.24 BrC1=CC=C2CCNCC2=C1 G-6480-01 [0,1,0,1,0,0|1,0,0]=3 1138 B12R2.24 BrC1=CC=C2CNCCC2=C1 L13599 [0,1,0,1,0,0|0,0,0]=2 1139 B12R2.24 BrC1=CC=C2CNCCC2=C1 L14008 [0,1,0,1,0,0|0,0,0]=2 1140 B12R2.24 BrC1=CC=C2NCCOC2=C1 O34410 [0,1,0,1,0,0|0,0,0]=2 1141 B12R2.24 BrC1=CN=C2CNCCC2=C1 P45962 [0,1,0,1,0,0|1,0,0]=3 1142 B12R2.24 BrC1=CN=C2OCCNC2=C1 S72702 [0,1,0,1,0,0|2,0,0]=4 1143 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 P44709 [0,1,0,1,0,0|2,0,0]=4 1144 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 O33320 [0,1,0,1,0,0|1,1,0]=4 1145 B12R2.24 ClC1=NC=C2CNCCC2=C1 10777 [0,1,0,1,0,0|1,1,0]=4 1146 B12R2.24 IC1=CC2=C(C=C1)OCCC2 P36651 [0,1,0,1,0,0|1,1,0]=4 1147 B12R2.24 IC1=CC=C2CCCNC2=C1 N25660 [0,1,0,1,0,0|1,1,0]=4 1148 B12R2.24 NC1=NC2=C(C=C1)CNCC2 O32378 [0,1,0,1,0,0|2,0,0]=4 1149 B12R2.24 NC1=NC2=C(C=C1)CNCC2 O32379 [0,1,0,1,0,0|2,0,0]=4 1150 B12R2.24 NC1=NC2=C(C=C1)CNCC2 Q69785 [0,1,0,1,0,0|2,0,0]=4 1151 B12R2.24 OC1=CC2=C(C=C1)CNCC2 L18301 [0,1,0,1,0,0|1,0,0]=3 1152 B12R2.24 OC1=CC=C2OCCOC2=C1 O33980 [0,1,0,1,0,0|2,0,0]=4 1153 B12R2.24 OC1=CN=C2NCCCC2=C1 L20356 [0,1,0,1,0,0|2,0,0]=4 1154 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 C-2076 [0,1,0,1,0,0|1,0,1]=4 1155 B12R2.203 NC1=CC=CC2=C1C(=O)CC2 O30109 [0,1,0,1,0,0|2,0,0]=4 1156 B12R2.203 NC1=NNC2=C1C(Br)=CC=C2 G-6811 [0,1,0,1,0,0|1,0,1]=4 1157 B12R2.203 O=C1COC2=CC=CC(Br)=C12 P51087 [0,1,0,1,0,0|1,0,1]=4 1158 B12R2.203 O=C1NCC2=C1C(Br)=CC=C2 L22234 [0,1,0,1,0,0|1,0,1]=4 1159 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 10152 [0,1,0,1,0,0|1,0,0]=3 1160 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 P43102 [0,1,0,1,0,0|0,0,2]=4 1161 B12R2.612 CN1C=NC2=CC(Br)=CC=C21 A-852 [0,1,0,1,0,0|1,0,1]=4 1162 B12R2.612 CN1N=CC2=CC(Br)=CC=C21 C-2017 [0,1,0,1,0,0|1,0,1]=4 1163 B12R2.612 CN1N=NC2=CC(Br)=CC=C21 S72738 [0,1,0,1,0,0|2,0,0]=4 1164 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 P40299 [0,1,0,1,0,0|0,0,0]=2 1165 B12R2.612 NC1CCC2=C1C=CC(F)=C2 Q66157 [0,1,0,1,0,0|0,1,0]=3 1166 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 O31598 [0,1,0,1,0,0|1,1,0]=4 1167 B12R2.612 O=C1COC2=CC(Br)=CC=C12 F-4089 [0,1,0,1,0,0|1,0,1]=4 1168 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 D-2558 [0,1,0,1,0,0|1,0,1]=4 1169 B12R2.612 OC1CCC2=C1C=CC(Br)=C2 Q66199 [0,1,0,1,0,0|1,0,0]=3 1170 B12R2.1286 BrC1=CC=CC(OC2CC2)=C1 P42912 [0,1,0,1,0,0|1,0,0]=3 1171 B12R2.1286 BrC1=NC=CC(NC2CC2)=C1 O31273 [0,1,0,1,0,0|2,0,0]=4 1172 B12R2.246 BrC1=CC(Br)=C2NN=CC2=C1 N25548 [0,1,0,1,0,0|1,0,1]=4 1173 B12R2.246 BrC1=CC2=C(NC=C2)C(Br)=C1 M15247 [0,1,0,1,0,0|0,0,2]=4 1174 B12R2.246 BrC1=CC2=C(NN=C2)C(I)=C1 Q69881 [0,1,0,1,0,0|1,0,1]=4 1175 B12R2.246 CC1=C2NC=CC2=CC(Br)=C1 10563 [0,1,0,1,0,0|0,0,2]=4 1176 B12R2.246 CC1=CC(Br)=C2NN=CC2=C1 F-4126 [0,1,0,1,0,0|1,0,1]=4 1177 B12R2.246 CC1=CC(Br)=CC2=C1NN=C2 G-7638 [0,1,0,1,0,0|1,0,1]=4 1178 B12R2.246 ClC1=CC(Br)=CC2=C1NC=C2 Q69879 [0,1,0,1,0,0|0,0,2]=4 1179 B12R2.246 ClC1=CC(Br)=CC2=C1NN=C2 G-7843 [0,1,0,1,0,0|1,0,1]=4 1180 B12R2.246 ClC1=CC2=C(NC=C2)C(Br)=C1 M15244 [0,1,0,1,0,0|0,0,2]=4 1181 B12R2.246 ClC1=CC2=C(NN=C2)C(Br)=C1 O32914 [0,1,0,1,0,0|1,0,1]=4 1182 B12R2.246 FC1=C2NC=CC2=CC(Br)=C1 C-3603 [0,1,0,1,0,0|0,0,2]=4 1183 B12R2.246 FC1=CC(Br)=C2NN=CC2=C1 L14820 [0,1,0,1,0,0|1,0,1]=4 1184 B12R2.246 FC1=CC(Br)=CC2=C1NCC2 S72625 [0,1,0,1,0,0|0,0,0]=2 1185 B12R2.246 FC1=CC(Br)=CC2=C1NN=C2 L14924 [0,1,0,1,0,0|1,0,1]=4 1186 B12R2.246 NC1=CC(Br)=CC2=C1NN=C2 G-6048 [0,1,0,1,0,0|1,0,1]=4 1187 B12R2.246 NC1=CC2=C(NN=C2)C(Br)=C1 S72642 [0,1,0,1,0,0|1,0,1]=4 1188 B12R2.246 OC1=CC2=C(NN=C2)C(Br)=C1 L14784 [0,1,0,1,0,0|1,0,1]=4 1189 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 A-848 [0,1,0,1,0,0|1,0,1]=4 1190 B12R2.606 NC1=CC2=CC(Br)=CC=C2S1 G-5563 [0,1,0,1,0,0|0,0,2]=4 1191 B12R2.606 NC1=CC2=CC(Br)=CC=C2S1 L21320 [0,1,0,1,0,0|0,0,2]=4 1192 B12R2.606 NC1=CC2=CC=C(Br)C=C2S1 G-7571 [0,1,0,1,0,0|1,0,1]=4 1193 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 C-2304 [0,1,0,1,0,0|1,0,1]=4 1194 B12R2.606 NC1=NC2=CC(Br)=CC=C2S1 P50981 [0,1,0,1,0,0|1,0,1]=4 1195 B12R2.606 NC1=NC2=CC=C(Br)C=C2S1 Q56866 [0,1,0,1,0,0|1,0,1]=4 1196 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 C-3428 [0,1,0,1,0,0|0,0,1]=3 1197 B12R2.606 O=C1CC2=CC(Br)=CC=C2O1 H-8082 [0,1,0,1,0,0|1,0,1]=4 1198 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 C-2386 [0,1,0,1,0,0|1,0,1]=4 1199 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 E-3094 [0,1,0,1,0,0|0,1,1]=4 1200 B12R2.606 O=C1CC2=NC(Br)=CC=C2N1 G-5498 [0,1,0,1,0,0|1,0,1]=4 1201 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 A-639 [0,1,0,1,0,0|1,0,1]=4 1202 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 O30873 [0,1,0,1,0,0|1,0,1]=4 1203 B12R2.221 BrC1=C2C=NNC2=C(Br)C=C1 N26257 [0,1,0,1,0,0|1,0,1]=4 1204 B12R2.221 BrC1=C2N=NNC2=C(Br)C=C1 O29773 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.221 CC1=CC=C(Br)C2=C1C=CN2 Q70037 [0,1,0,1,0,0|0,0,2]=4 1206 B12R2.221 CC1=CC=C(Br)C2=C1C=NN2 O31545 [0,1,0,1,0,0|1,0,1]=4 1207 B12R2.221 ClC1=C2C=CNC2=C(Br)C=C1 M15055 [0,1,0,1,0,0|0,0,2]=4 1208 B12R2.221 ClC1=C2C=NNC2=C(Br)C=C1 N26291 [0,1,0,1,0,0|1,0,1]=4 1209 B12R2.221 FC1=C2C=NNC2=C(Br)C=C1 N26335 [0,1,0,1,0,0|1,0,1]=4 1210 B12R2.221 FC1=CC=C(Br)C2=C1C=CN2 O32896 [0,1,0,1,0,0|0,0,2]=4 1211 B12R2.1316 NC1=CC(C2CC2)=C(F)C=C1 M23684 [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.44 BrCC1=CC2=C(C=C1)NN=C2 O29952 [0,1,0,1,0,0|1,0,1]=4 1213 B12R2.44 BrCC1=CC2=C(C=C1)NN=C2 O30126 [0,1,0,1,0,0|1,0,1]=4 1214 B12R2.44 BrCC1=CC=C2NC=NC2=C1 O29413 [0,1,0,1,0,0|1,0,1]=4 1215 B12R2.44 BrCC1=CC=C2NC=NC2=C1 O32154 [0,1,0,1,0,0|1,0,1]=4 1216 B12R2.44 COC1=CC2=C(C=C1)NCC2 P39671 [0,1,0,1,0,0|1,0,0]=3 1217 B12R2.44 COC1=NC=C2NCCC2=C1 Q62962 [0,1,0,1,0,0|2,0,0]=4 1218 B12R2.44 N#CC1=CC2=C(C=C1)NCC2 M15521 [0,1,0,1,0,0|1,0,0]=3 1219 B12R2.315 NCC1=CC=CC2=C1NCC2 O32388 [0,1,0,1,0,0|1,0,0]=3 1220 B12R2.315 NCC1=CC=CC2=C1NCC2 Q69699 [0,1,0,1,0,0|1,0,0]=3 1221 B12R2.100 CC1=C(Br)C=C2C=CNC2=C1 10545 [0,1,0,1,0,0|0,0,2]=4 1222 B12R2.100 CC1=C(Br)C=C2N=CNC2=C1 O32506 [0,1,0,1,0,0|1,0,1]=4 1223 B12R2.100 CC1=CC2=C(C=NN2)C=C1Br O34503 [0,1,0,1,0,0|1,0,1]=4 1224 B12R2.100 ClC1=CC2=C(C=CN2)C=C1Br M15076 [0,1,0,1,0,0|0,0,2]=4 1225 B12R2.100 ClC1=CC2=C(C=NN2)C=C1Br M15077 [0,1,0,1,0,0|1,0,1]=4 1226 B12R2.100 FC1=C(Br)C=C2C=CNC2=C1 L13071 [0,1,0,1,0,0|0,0,2]=4 1227 B12R2.100 FC1=C(Br)C=C2C=NNC2=C1 H-8193 [0,1,0,1,0,0|1,0,1]=4 1228 B12R2.100 FC1=CC2=C(C=C1F)NCC2 M15600 [0,1,0,1,0,0|0,1,0]=3 1229 B12R2.291 CC1=CC(C2CC2)=CC=C1Br N26041 [0,1,0,1,0,0|2,0,0]=4 1230 B12R2.291 ClC1=CC=C(C2CO2)C=C1Cl P37615 [0,1,0,1,0,0|1,1,0]=4 1231 B8R1.1 CCC1=NC(Br)=CN1 K12066 [1,0,0,0,1,0|2,0,0]=4 1232 B8R1.1 CCC1=NC=C(Br)S1 K12067 [1,0,0,0,1,0|2,0,0]=4 1233 B8R1.1 CCN1C=C(Br)C=N1 A-662 [1,0,0,0,1,0|2,0,0]=4 1234 B8R1.1 CSC1=CC(Br)=CS1 N26878 [1,0,0,0,1,0|2,0,0]=4 1235 B8R1.1 CSC1=CC=C(Br)S1 Q67761 [1,0,0,0,1,0|2,0,0]=4 1236 B8R1.1 ClCC1=CC=C(Br)O1 O30299 [1,0,0,0,1,0|2,0,0]=4 1237 B8R1.1 NCC1=CC(Br)=CS1 O33586 [1,0,0,0,1,0|1,0,0]=3 1238 B8R1.1 NCC1=CC(Cl)=CS1 L13105 [1,0,0,0,1,0|1,1,0]=4 1239 B8R1.1 NCC1=CC(Cl)=CS1 O31449 [1,0,0,0,1,0|1,1,0]=4 1240 B8R1.1 NCC1=CC=C(Br)S1 L14034 [1,0,0,0,1,0|1,0,0]=3 1241 B8R1.1 NCC1=CC=C(Cl)S1 I-9793 [1,0,0,0,1,0|1,1,0]=4 1242 B8R1.1 NCC1=CC=C(Cl)S1 P39739 [1,0,0,0,1,0|1,1,0]=4 1243 B8R1.1 NCC1=CC=C(F)S1 G-6513 [1,0,0,0,1,0|1,1,0]=4 1244 B8R1.1 NCC1=CSC(Br)=C1 O33369 [1,0,0,0,1,0|1,0,0]=3 1245 B8R1.1 NCC1=CSC(Br)=C1 O34212 [1,0,0,0,1,0|1,0,0]=3 1246 B8R1.1 NCC1=CSC(Cl)=C1 G-5520 [1,0,0,0,1,0|1,1,0]=4 1247 B8R1.1 NCC1=NC=C(Br)S1 I-9749 [1,0,0,0,1,0|2,0,0]=4 1248 B8R1.1 OCC1=CC=C(Br)S1 Q68061 [1,0,0,0,1,0|2,0,0]=4 1249 B8R1.1 OCC1=CSC(Br)=C1 N25883 [1,0,0,0,1,0|2,0,0]=4 1250 B8R1.11 BrCC1=C(Br)SC=C1 G-5372 [1,0,0,0,1,0|2,0,0]=4 1251 B8R1.11 CSC1=C(Br)C=CS1 N26856 [1,0,0,0,1,0|2,0,0]=4 1252 B8R1.11 NCC1=C(Cl)C=CS1 G-6088 [1,0,0,0,1,0|1,1,0]=4 1253 B8R1.11 OCC1=C(Br)C=CS1 L13988 [1,0,0,0,1,0|2,0,0]=4 1254 B8R1.8 NCCC1=CC=CO1 O34064 [1,0,0,0,1,0|1,0,0]=3 1255 B8R1.8 NCCC1=CSC=C1 G-7583 [1,0,0,0,1,0|1,0,0]=3 1256 B8R1.8 NCCN1C=CC=C1 P38998 [1,0,0,0,1,0|1,0,0]=3 1257 B8R1.8 NCCN1C=CC=N1 P43070 [1,0,0,0,1,0|2,0,0]=4 1258 B8R1.8 NCCN1C=CN=C1 O32262 [1,0,0,0,1,0|2,0,0]=4 1259 B8R1.8 NCCN1C=CN=C1 P37320 [1,0,0,0,1,0|2,0,0]=4 1260 B8R1.8 OCCC1=CC=CS1 I-9194 [1,0,0,0,1,0|2,0,0]=4