0 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 CCNC1=NN=CC=C1 O31986 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 CNCC1=CC=CN=C1 P35002 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 CNCC1=CC=NC=C1 P36555 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CNCC1=CN=CN=C1 G-7225 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CNCC1=NC=CC=C1 P39822 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CNCC1=NC=CC=N1 L18100 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 N#CCC1=CC=CN=N1 G-5173 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.8 N#CCC1=CC=NC=C1 P41732 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.8 N#CCC1=CC=NN=C1 C-3377 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.8 N#CCC1=CN=CN=C1 C-2754 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.8 N#CCC1=NC=CC=N1 G-5170 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.8 N#CCC1=NC=NC=C1 G-5174 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.8 NCCC1=CC=NC=N1 L14509 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 NCCC1=NC=CC=N1 L14904 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.8 NCCC1=NC=CC=N1 Q55474 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 NCCC1=NC=NC=C1 Q56454 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.8 NNCC1=CC=CC=C1 P43525 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.8 NNCC1=CC=CN=C1 O31533 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.8 NNCC1=CC=NC=C1 C-3253 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.8 NNCC1=CC=NC=C1 L13556 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.8 NNCC1=CC=NC=C1 O32212 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 NNCC1=CN=CC=C1 C-3254 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.8 NNCC1=CN=CN=C1 C-3759 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.8 NNCC1=NC=CC=C1 C-3255 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.8 NNCC1=NC=CC=C1 O31423 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.8 NNCC1=NC=CC=N1 C-2760 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.8 NNCC1=NC=CN=C1 G-5311 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.8 O=C=NC1=NC=CC=C1 P43266 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.8 OCCC1=CC=CN=C1 O28068 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.8 OCCC1=CC=NC=C1 P37585 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.8 OCCC1=CC=NC=N1 Q56821 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.8 OCCC1=NC=CC=N1 Q56820 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 O32008 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.2 BrCC1=CC=CN=C1 P36550 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 BrCC1=CN=CN=C1 Q65336 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 BrCC1=NC=NC=C1 P51553 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 C#CC1=CC=NC=C1 G-7546 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.2 C#CC1=CC=NC=C1 L13525 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.2 C=CC1=CC=CN=C1 O30687 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.2 CNC1=CC=NC=N1 Q58573 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 CNC1=CN=CN=C1 L13923 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 CNC1=NN=CC=C1 O29994 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 COC1=CN=CN=C1 M15459 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 ClCC1=CC=CN=N1 C-2225 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 ClCC1=CN=CC=N1 C-2219 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 ClCC1=CN=CN=C1 C-2216 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 ClCC1=NC=CC=N1 C-2222 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 ClCC1=NC=CN=C1 L14125 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 ICC1=CC=CC=C1 P37031 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.2 N#CC1=CC=NC=C1 Q58209 [1,0,0,0,0,0|1,0,2]=4 54 B8R1.2 NCC1=CC=CN=N1 L21914 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 NCC1=CC=NC=C1 O30621 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.2 NCC1=CC=NC=N1 C-2474 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 NCC1=CC=NC=N1 L13752 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 NCC1=CC=NN=C1 C-3221 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 NCC1=CC=NN=C1 C-3221-01 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 NCC1=CN=CN=C1 C-3222 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 NCC1=CN=CN=C1 L14043 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 NCC1=NC=CC=N1 C-3224 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 NCC1=NC=CC=N1 C-3224-1 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 NCC1=NC=CN=C1 C-3223 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 NCC1=NN=CC=C1 C-2473 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 NNC1=CC=CN=C1 C-3227 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 NNC1=CC=NC=C1 C-3226 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 NNC1=CC=NC=C1 L19135 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 NNC1=CC=NC=C1 O31964 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 NNC1=CN=CN=C1 Q56320 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 NNC1=NC=CN=C1 C-2269 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 NNC1=NC=NC=C1 O34192 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 NNC1=NN=CC=C1 O30576 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 OCC1=CC=CN=N1 C-2224 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 OCC1=CC=NC=N1 C-2228 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 OCC1=CC=NN=C1 C-2213 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 OCC1=CN=CC=N1 C-2217 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 OCC1=CN=CN=C1 C-2215 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 OCC1=NC=CC=N1 C-2220 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.1 BrC1=CC=C(CCI)C=C1 P35777 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.1 BrCCC1=CC=C(Br)C=C1 P40516 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.1 C=COC1=CC=C(Br)C=C1 N25160 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.1 CC1=CC=C(CCN)N=C1 Q58444 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.1 CC1=CN=C(CCN)N=C1 Q58694 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.1 CCCC1=CC=C(N)N=C1 Q52924 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.1 CCNC1=CC=C(Br)C=C1 P36614 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.1 CCNC1=CC=C(Cl)C=C1 P41554 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.1 CCNC1=CC=C(F)C=C1 O32514 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.1 CCNC1=CC=C(N)C=C1 P37237 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.1 CCNC1=CC=C(N)C=N1 Q58250 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.1 CCNC1=NC=C(Br)C=C1 P35747 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.1 CCOC1=CC=C(F)C=C1 M23303 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.1 CCOC1=NC=C(Cl)C=C1 N25842 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.1 CCOC1=NC=C(F)C=C1 N24463 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.1 CNCC1=CC=C(Br)N=C1 P42296 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.1 CNCC1=CC=C(Cl)C=C1 P42874 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.1 CNCC1=CC=C(N)C=C1 P38425 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.1 CNCC1=CC=C(O)C=C1 P36065 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.1 CNCC1=CN=C(Cl)C=C1 P42297 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.1 CNCC1=CNC(=O)C=C1 L19901 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.1 COCC1=CC=C(Br)C=C1 Q67196 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.1 COCC1=CN=C(Br)C=C1 N25975 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.1 COCC1=NC=C(Br)C=C1 N27297 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.1 FC1=CC=C(CCBr)C=C1 I-9285 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.1 N#CCC1=CC=C(Br)N=C1 P41217 [0,1,0,0,0,0|1,0,2]=4 106 B10R1.1 N#CCC1=NC=C(Br)C=C1 G-5599 [0,1,0,0,0,0|1,0,2]=4 107 B10R1.1 N#CCC1=NC=C(F)C=C1 Q69905 [0,1,0,0,0,0|1,0,2]=4 108 B10R1.1 NCCC1=CC=C(Cl)N=C1 P37543 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.1 NCCC1=CC=C(F)C=N1 Q58446 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.1 NCCC1=CC=C(I)C=C1 P36354 [0,1,0,0,0,0|0,0,0]=1 111 B10R1.1 NCCC1=CN=C(Cl)N=C1 Q65338 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.1 NCCC1=CN=C(Cl)N=C1 Q65339 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.1 NCCC1=NC=C(Br)C=C1 G-5600 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.1 NNCC1=CC=C(Br)C=C1 C-3250 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.1 NNCC1=CC=C(Br)C=C1 I-9319 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.1 NNCC1=CC=C(Cl)C=C1 C-3251 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.1 NNCC1=CC=C(Cl)C=C1 Q51808 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.1 NNCC1=CC=C(F)C=C1 C-3247 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.1 NOCC1=CC=C(Cl)C=C1 O31868 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.1 NOCC1=CC=C(F)C=C1 10767 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.1 OCCC1=NC=C(Br)C=C1 G-5598 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.1 OCCC1=NC=C(F)C=C1 O33379 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.4 BrCCC1=CC=CC=C1Br O28100 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.4 C=CCC1=C(C)C=CN=C1 N26419 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.4 CC1=CC=CC=C1CCBr O28115 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.4 CC1=CC=CN=C1CCN P35791 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.4 CCCC1=C(C)C=CN=C1 N27219 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.4 CCNC1=CC=CC=C1Br P36583 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.4 CCNC1=CC=CC=C1Cl P41555 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.4 CCNC1=CC=CC=C1F P39148 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.4 CCNC1=CC=CC=C1N P39464 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.4 CCNC1=CN=CC=C1C Q58450 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.4 CCOC1=C(N)C=CN=C1 O29937 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.4 CCOC1=CC=CN=C1F N26164 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.4 CCOC1=NC=CC=C1Br N24847 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.4 CCOC1=NC=CC=C1Cl N25582 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.4 CCOC1=NC=CC=C1I P36178 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.4 CCOC1=NC=CC=C1N P37716 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.4 CCOC1=NC=CC=C1O O31077 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.4 CNCC1=CC=CC=C1C P35580 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.4 CNCC1=CC=CC=C1N P40191 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.4 CNCC1=NC=CC=C1F Q56455 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.4 CNCC1=NC=CC=C1F Q56456 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.4 COCC1=CC=CC=C1Br Q67462 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.4 FC1=CC=CC=C1C#CBr P43485 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.4 N#CCC1=CC=CN=C1Cl C-3457 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.4 NC1=C(CCF)C=NC=C1 Q65355 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.4 NCCC1=C(Br)C=CC=N1 L13097 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.4 NCCC1=CC=CC=C1N P42500 [0,1,0,0,0,0|0,0,0]=1 150 B10R1.4 NCCC1=CC=CC=C1O M22991 [0,1,0,0,0,0|0,0,0]=1 151 B10R1.4 NCCC1=NC=CC=C1F Q58445 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.4 NCCN1C=CC=NC1=O L18972 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.4 NCCN1N=CC=CC1=O L20650 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.4 NNCC1=C(Br)C=CC=C1 G-5141 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.4 NNCC1=C(Br)C=CC=C1 Q51807 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.4 NNCC1=C(Cl)C=CC=C1 C-3252 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.4 NNCC1=C(F)C=CC=C1 C-3249 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.4 OC1=CC=CC=C1CCBr P37343 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.4 OCCC1=C(Cl)C=NC=C1 Q69549 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.4 OCCC1=CC=CC=C1O P36102 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.4 OCCC1=NC=CC=C1F L14825 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.10 CC1=CC(CCBr)=CC=C1 P40673 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.10 CC1=CC(CCCl)=CC=C1 P38353 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.10 CC1=CC(CCI)=CC=C1 M23009 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.10 CC1=CC(CCN)=CC=C1 P37429 [0,1,0,0,0,0|0,0,0]=1 166 B10R1.10 CC1=CC(CCN)=NC=C1 Q53269 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.10 CC1=CC=CC(CCO)=N1 Q52530 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.10 CC1=CN=CC(CCN)=C1 Q64732 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.10 CC1=CN=CC(CCO)=C1 Q64733 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.10 CC1=NC=CC(CC#N)=C1 L14363 [0,1,0,0,0,0|1,0,2]=4 171 B10R1.10 CC1=NC=CC(CCN)=C1 O31989 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.10 CCCC1=CC=CC(N)=C1 M23710 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.10 CCCC1=CC=CC(N)=N1 O31120 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.10 CCNC1=CC=CC(Br)=C1 P38317 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.10 CCNC1=CC=CC(Cl)=C1 P41014 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.10 CCNC1=CC=CC(F)=C1 P39149 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.10 CCOC1=CC(Br)=NC=C1 Q52481 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.10 CCOC1=CC(C)=CN=C1 N27267 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.10 CCOC1=CC(Cl)=NC=C1 N24567 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.10 CCOC1=CC=CC(F)=C1 Q66827 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.10 CCOC1=CC=CC(N)=N1 O30214 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.10 CCOC1=NC=CC(Br)=C1 N24697 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.10 CCOC1=NC=CC(I)=C1 N26426 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.10 CCOC1=NC=CC(N)=C1 P51356 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.10 CNCC1=CC(Cl)=NC=C1 P36290 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.10 CNCC1=CC(F)=CN=C1 P42788 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.10 CNCC1=CC(O)=CC=C1 P42117 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.10 CNCC1=CC=CC(=O)N1 L20412 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.10 CNCC1=CC=CC(C)=C1 P38357 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.10 COCC1=CC(Br)=CC=C1 Q67458 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.10 COCC1=CN=CC(Br)=C1 Q67548 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.10 COCC1=NC=CC(N)=C1 Q56240 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.10 CSCC1=CC(N)=NC=C1 F-4303 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.10 FC1=CC(CCBr)=CC=C1 P39371 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.10 FC1=CN=CC(CCBr)=C1 Q64580 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.10 N#CCC1=CC(Br)=CN=C1 G-7576 [0,1,0,0,0,0|1,0,2]=4 197 B10R1.10 N#CCC1=CC(F)=CN=C1 C-3499 [0,1,0,0,0,0|1,0,2]=4 198 B10R1.10 N#CCC1=CC=CC(N)=C1 P37983 [0,1,0,0,0,0|0,0,2]=3 199 B10R1.10 N#CCC1=CC=NC(Cl)=C1 Q55028 [0,1,0,0,0,0|1,0,2]=4 200 B10R1.10 NC1=CC(CCO)=CC=C1 O31199 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.10 NC1=CC(CCO)=NC=C1 Q53462 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.10 NCCC1=CC(Br)=NC=C1 H-8231 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.10 NCCC1=CC(F)=CN=C1 Q64579 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.10 NCCC1=CC(O)=CC=C1 M23068 [0,1,0,0,0,0|0,0,0]=1 205 B10R1.10 NCCC1=CC=CC(Cl)=C1 G-6963 [0,1,0,0,0,0|0,0,0]=1 206 B10R1.10 NCCC1=CC=CC(I)=C1 P34955 [0,1,0,0,0,0|0,0,0]=1 207 B10R1.10 NCCC1=CC=CC(N)=C1 P36157 [0,1,0,0,0,0|0,0,0]=1 208 B10R1.10 NCCC1=NC=CC(F)=C1 Q53270 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.10 NNCC1=CC(Br)=CN=C1 Q51914 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.10 NNCC1=CC(Cl)=CC=C1 Q51809 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.10 NNCC1=CC(F)=CC=C1 C-3248 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.10 NNCC1=CC(F)=CC=C1 Q51806 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.10 NNCC1=CC=CC(Br)=C1 L20978 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.10 OCCC1=CC(F)=CN=C1 Q64578 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.10 OCCC1=CC=CC(O)=C1 P41607 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.10 OCCC1=NC(Cl)=CC=C1 Q69232 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.10 OCCC1=NC=CC(Br)=C1 S72505 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.15 C#CC(=O)C1=CC=CC=C1 P38531 [0,1,0,0,0,0|1,0,2]=4 219 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.15 CCC(N)C1=NC=CN=C1 L13036 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.15 N#CC(N)C1=CC=NC=C1 F-4703 [0,1,0,0,0,0|1,0,2]=4 228 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [0,1,0,0,0,0|1,0,1]=3 229 B10R1.15 NC(CO)C1=CC=NC=C1 Q53510 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [0,1,0,0,0,0|0,0,0]=1 231 B10R1.15 NCC(O)C1=CC=CN=C1 O32747 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.15 NCC(O)C1=CC=CN=C1 P43089 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.15 NCC(O)C1=CC=NC=C1 P35258 [0,1,0,0,0,0|1,0,0]=2 234 B10R1.15 NCC(O)C1=NC=CC=C1 P35259 [0,1,0,0,0,0|1,0,0]=2 235 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [0,1,0,0,0,0|0,0,0]=1 236 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [0,1,0,0,0,0|0,0,0]=1 237 B10R1.15 O=C(CBr)C1=CC=CC=N1 Q58258 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.15 O=C(CBr)C1=CC=CN=C1 Q55443 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.15 O=C(CCl)C1=CC=CN=C1 O29841 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.15 OC(CCl)C1=CC=CN=C1 O32660 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.17 C#CCOC1=CC=CC=C1 P41520 [0,1,0,0,0,0|1,0,1]=3 242 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.17 CCCCC1=CC=NC=C1 O30545 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.17 CNCCC1=CC=CC=C1 P37213 [0,1,0,0,0,0|0,0,0]=1 245 B10R1.17 CNCCC1=CC=NC=C1 P37446 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.17 CNCCC1=NC=CC=C1 P40087 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.17 ICCCC1=CC=CC=C1 P38180 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.17 NCC#CC1=CC=CC=N1 Q58471 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.17 NCC#CC1=CC=CC=N1 Q58472 [0,1,0,0,0,0|1,0,1]=3 250 B10R1.17 NCCCC1=CC=NC=C1 P38929 [0,1,0,0,0,0|1,0,0]=2 251 B10R1.17 NCCNC1=NC=CC=C1 P34736 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.17 NCCNC1=NC=CC=C1 P36299 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.17 NCCOC1=CC=CN=C1 O34354 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.17 NCCOC1=CC=NC=C1 P51450 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.17 NCCOC1=NC=CC=C1 O34316 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.17 NC\C=C\C1=CC=CN=C1 Q58489 [0,1,0,0,0,0|1,0,1]=3 257 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [0,1,0,0,0,0|1,0,1]=3 260 B10R1.17 OCCCC1=NC=CC=C1 P39056 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.17 OCCNC1=CC=NC=N1 Q58729 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.17 OC\C=C\C1=CC=CN=C1 P51266 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.18 FC(F)OC1=NC=CC=C1 O32452 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [0,1,0,0,0,0|1,0,1]=3 267 B10R2.6 C1=CC(C2CC2)=CC=N1 N25361 [0,0,0,1,0,0|2,0,0]=3 268 B10R2.6 C1=CC=C(C2CN2)C=C1 P41085 [0,0,0,1,0,0|0,0,0]=1 269 B10R2.6 C1=CN=C(C2CC2)C=C1 K12338 [0,0,0,1,0,0|2,0,0]=3 270 B10R2.7 B1OC2=C(C=CC=C2)O1 P39136 [0,0,0,1,0,0|3,0,0]=4 271 B10R2.7 C1=CC2=C(C=N1)CNC2 M15466 [0,0,0,1,0,0|3,0,0]=4 272 B10R2.7 C1=CC2=C(C=N1)CNC2 M15469 [0,0,0,1,0,0|3,0,0]=4 273 B10R2.7 C1=CC2=C(C=N1)NC=N2 C-3468 [0,0,0,1,0,0|2,0,1]=4 274 B10R2.7 C1=CC2=C(C=N1)NN=C2 G-5456 [0,0,0,1,0,0|2,0,1]=4 275 B10R2.7 C1=CC2=C(N=C1)N=CN2 H-8708 [0,0,0,1,0,0|2,0,1]=4 276 B10R2.7 C1=CC2=CC=NC=C2N1 C-2344 [0,0,0,1,0,0|1,0,2]=4 277 B10R2.7 C1=CC2=CN=CC=C2N1 C-3300 [0,0,0,1,0,0|1,0,2]=4 278 B10R2.7 C1=CC=C2CNCC2=C1 P44607 [0,0,0,1,0,0|2,0,0]=3 279 B10R2.7 C1=CN=C2C=CNC2=C1 C-2342 [0,0,0,1,0,0|1,0,2]=4 280 B10R2.7 C1=CN=C2C=NNC2=C1 C-2409 [0,0,0,1,0,0|2,0,1]=4 281 B10R2.7 C1=CN=C2CC=NC2=C1 O29484 [0,0,0,1,0,0|1,0,2]=4 282 B10R2.7 C1=CN=C2CCNC2=C1 O29585 [0,0,0,1,0,0|1,0,0]=2 283 B10R2.7 C1=CN=C2CNCC2=C1 B-1200 [0,0,0,1,0,0|3,0,0]=4 284 B10R2.7 C1=CN=C2NC=CC2=C1 A-816 [0,0,0,1,0,0|1,0,2]=4 285 B10R2.7 C1=CN=C2NCCC2=C1 C-3425 [0,0,0,1,0,0|1,0,0]=2 286 B10R2.7 C1=CN=C2NN=CC2=C1 C-2471 [0,0,0,1,0,0|2,0,1]=4 287 B10R2.7 C1=NC=C2C=NNC2=C1 C-2408 [0,0,0,1,0,0|2,0,1]=4 288 B10R2.7 C1=NC=C2CNCC2=C1 G-5769 [0,0,0,1,0,0|3,0,0]=4 289 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [0,0,0,1,0,0|0,0,0]=1 290 B8R1.8 CNCC1=CC=CO1 K10906 [0,0,0,0,1,0|3,0,0]=4 291 B8R1.8 CNCC1=COC=C1 P39518 [0,0,0,0,1,0|3,0,0]=4 292 B8R1.8 CNCC1=CSC=C1 P39815 [0,0,0,0,1,0|3,0,0]=4 293 B8R1.8 COCC1=CC=CS1 N26844 [0,0,0,0,1,0|3,0,0]=4 294 B8R1.8 ClCCC1=CC=NN1 Q61921 [0,0,0,0,1,0|3,0,0]=4 295 B8R1.8 N#CCC1=CC=CO1 H-8398 [0,0,0,0,1,0|1,0,2]=4 296 B8R1.8 NCCC1=CC=CO1 O34064 [0,0,0,0,1,0|1,0,0]=2 297 B8R1.8 NCCC1=CSC=C1 G-7583 [0,0,0,0,1,0|1,0,0]=2 298 B8R1.8 NCCC1=NN=CS1 G-7856 [0,0,0,0,1,0|3,0,0]=4 299 B8R1.8 NCCC1=NOC=N1 L19214 [0,0,0,0,1,0|3,0,0]=4 300 B8R1.8 NCCC1=NOC=N1 L19828 [0,0,0,0,1,0|3,0,0]=4 301 B8R1.8 NCCN1C=CC=C1 P38998 [0,0,0,0,1,0|1,0,0]=2 302 B8R1.8 NCCN1C=CC=N1 P43070 [0,0,0,0,1,0|2,0,0]=3 303 B8R1.8 NCCN1C=CN=C1 O32262 [0,0,0,0,1,0|2,0,0]=3 304 B8R1.8 NCCN1C=CN=C1 P37320 [0,0,0,0,1,0|2,0,0]=3 305 B8R1.8 NCCN1C=NC=N1 L20140 [0,0,0,0,1,0|3,0,0]=4 306 B8R1.8 OCCC1=CC=CS1 I-9194 [0,0,0,0,1,0|2,0,0]=3 307 B8R1.8 OCCC1=CN=CN1 G-7568 [0,0,0,0,1,0|3,0,0]=4 308 B8R1.8 OCCC1=CNN=C1 A-904 [0,0,0,0,1,0|3,0,0]=4 309 B8R1.8 OCCC1=NC=CS1 L19275 [0,0,0,0,1,0|3,0,0]=4 310 B8R1.8 OCCC1=NNC=C1 P51145 [0,0,0,0,1,0|3,0,0]=4 311 B7R1.3 CC1=CC=CN=N1 G-5190 [2,0,0,0,0,0|2,0,0]=4 312 B7R1.3 CC1=CN=CN=C1 O30773 [2,0,0,0,0,0|2,0,0]=4 313 B7R1.3 CC1=CN=NC=C1 G-5111 [2,0,0,0,0,0|2,0,0]=4 314 B7R1.3 CC1=NC=CC=N1 Q60049 [2,0,0,0,0,0|2,0,0]=4 315 B7R1.3 CC1=NC=NC=C1 G-5230 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.3 NC1=CC=CN=N1 C-3290 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.3 NC1=CC=NN=C1 C-3725 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.3 NC1=CN=NC=C1 L13627 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.3 SC1=CC=CN=C1 Q62383 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.1 BrCC1=CN=C(Br)C=C1 M23057 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.1 BrCC1=NC=C(Br)C=C1 O32745 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.1 C#CC1=CC=C(Br)C=C1 P36174 [1,1,0,0,0,0|0,0,2]=4 323 B9R1.1 C#CC1=CC=C(Cl)C=C1 C-3288 [1,1,0,0,0,0|0,0,2]=4 324 B9R1.1 C#CC1=CC=C(I)C=C1 P36173 [1,1,0,0,0,0|0,0,2]=4 325 B9R1.1 CC1=CC=C(CN)C=N1 C-3518 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.1 CC1=CC=C(CN)N=N1 C-3426 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.1 CC1=CC=C(CO)C=N1 H-8186 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.1 CC1=CN=C(CN)C=N1 L14005 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.1 CC1=CN=C(CN)N=C1 G-7178 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.1 CC1=CN=C(CO)C=C1 N24952 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.1 CC1=NC=C(CN)C=N1 C-2844 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.1 CC1=NC=C(CN)N=C1 P50562 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.1 CC1=NN=C(CN)C=C1 I-9402 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.1 CCC1=CC=C(Br)N=C1 Q57112 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.1 CCC1=CC=C(Cl)N=C1 Q57111 [1,1,0,0,0,0|1,0,0]=3 336 B9R1.1 CCC1=CC=C(N)C=N1 A-656 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.1 CCC1=CN=C(Cl)N=C1 G-6620 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.1 CCC1=NC=C(Br)C=C1 G-6695 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.1 CCC1=NC=C(Br)C=N1 O33428 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.1 CCC1=NC=C(N)C=N1 G-7879 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.1 CNC1=CC=C(Br)N=C1 Q65482 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.1 CNC1=CC=C(F)C=N1 Q58345 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.1 CNC1=CC=C(I)C=C1 P37124 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.1 CNC1=CC=C(N)C=C1 P37009 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.1 CNC1=CC=C(N)N=C1 Q58290 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.1 CNC1=CC=C(N)N=C1 Q58291 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.1 CNC1=NC=C(Br)C=C1 P35851 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.1 COC1=CN=C(Br)C=C1 Q67224 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.1 COC1=CN=C(Cl)C=C1 Q67222 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.1 COC1=CN=C(F)C=C1 N24701 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.1 COC1=CN=C(N)C=C1 G-7588 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.1 COC1=NC=C(C)C=C1 Q67071 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.1 COC1=NC=C(F)C=C1 P37735 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.1 COC1=NC=C(I)C=C1 Q67264 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.1 COC1=NC=C(O)C=C1 Q67584 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.1 CSC1=CN=C(Br)C=C1 N24931 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.1 CSC1=CN=C(F)C=C1 N26916 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.1 CSC1=NC=C(Br)C=C1 Q66696 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.1 CSC1=NC=C(C)C=C1 N24295 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.1 CSC1=NC=C(Cl)C=C1 N24817 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.1 ClC1=CN=C(CBr)C=C1 L18293 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.1 ClCC1=CN=C(Br)C=C1 O34227 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.1 FC1=CN=C(CCl)C=C1 Q60053 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 FC1=NC=C(CBr)C=C1 G-6035 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.1 FC1=NC=C(CCl)C=C1 F-4121 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.1 N#CC1=CC=C(S)C=C1 O30392 [1,1,0,0,0,0|0,0,2]=4 368 B9R1.1 NC1=NC=C(CO)C=C1 E-3098 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.1 NCC1=CC=C(I)C=C1 P38306 [1,1,0,0,0,0|0,0,0]=2 370 B9R1.1 NCC1=CC=C(O)C=N1 O29328 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.1 NCC1=CC=C(O)C=N1 O31467 [1,1,0,0,0,0|1,0,0]=3 372 B9R1.1 NCC1=CN=C(Cl)C=C1 C-3459 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.1 NCC1=CN=C(Cl)N=C1 G-6101 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.1 NCC1=CN=C(Cl)N=C1 L13162 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.1 NCC1=CN=C(F)C=C1 L18071 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.1 NCC1=CN=C(N)C=C1 Q62313 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.1 NCC1=CNC(=O)C=C1 G-5535 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.1 NCC1=NC=C(Br)C=C1 G-7736 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.1 NCC1=NC=C(Br)C=C1 L14589 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.1 NCC1=NC=C(Br)C=C1 O30462 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.1 NCC1=NC=C(Br)C=N1 G-7163 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 NCC1=NC=C(Br)C=N1 L21926 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 NCC1=NC=C(Cl)C=C1 O30447 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.1 NCC1=NC=C(Cl)C=C1 O31783 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.1 NCC1=NC=C(Cl)C=C1 P36637 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.1 NCC1=NC=C(Cl)C=N1 P43786 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 NCC1=NC=C(Cl)C=N1 Q56403 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 NCC1=NC=C(Cl)N=C1 O31596 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 NCC1=NC=C(F)C=C1 P37408 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.1 NCC1=NC=C(F)C=N1 L14273 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 NCC1=NC=C(F)C=N1 Q56302 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 NNC1=CC=C(Br)C=C1 P38159 [1,1,0,0,0,0|1,0,0]=3 393 B9R1.1 NNC1=CC=C(F)C=C1 P38478 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.1 NNC1=CC=C(F)N=C1 O32377 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.1 NNC1=CN=C(F)C=C1 Q52569 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.1 NNC1=NC=C(Cl)C=C1 Q67932 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.1 OCC1=CC=C(Br)N=C1 O34239 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.1 OCC1=CC=C(F)N=C1 O30867 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 OCC1=CC=C(S)C=C1 O32480 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.1 OCC1=NC=C(Cl)C=C1 N24430 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 OCC1=NC=C(F)C=C1 C-3467 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.2 BrCC1=CC=CC(Br)=N1 P35902 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.2 C#CC1=CC(O)=CC=C1 P42883 [1,1,0,0,0,0|0,0,2]=4 404 B9R1.2 C#CC1=CC=CC(Br)=C1 O27910 [1,1,0,0,0,0|0,0,2]=4 405 B9R1.2 C#CC1=CC=CC(C)=C1 P36176 [1,1,0,0,0,0|0,0,2]=4 406 B9R1.2 CC1=CC(CN)=CC=N1 Q62498 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.2 CC1=CC(CN)=NC=C1 O29857 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.2 CC1=CC(CN)=NC=C1 O31684 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.2 CC1=CC(CN)=NN=C1 L22164 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.2 CC1=CC(NN)=NC=C1 O31163 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.2 CC1=CC=CC(CN)=N1 P35737 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.2 CC1=CC=CC(CN)=N1 P36768 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.2 CC1=CC=NC(CN)=N1 Q56400 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.2 CC1=CN=CC(CCl)=C1 O33584 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.2 CC1=CN=CC(CO)=C1 I-9425 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.2 CC1=NC(CN)=NC=C1 L14171 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.2 CC1=NC=CC(CN)=C1 O31522 [1,1,0,0,0,0|1,0,0]=3 418 B9R1.2 CC1=NC=CC(CO)=C1 O30864 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.2 CCC1=CC(Br)=NC=C1 P45487 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.2 CCC1=CC(Cl)=NC=N1 P51150 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.2 CCC1=CC=CC(Br)=N1 Q52717 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.2 CCC1=CC=CC(Cl)=N1 Q62319 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.2 CCC1=CC=CC(F)=N1 Q62318 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.2 CCC1=NC=CC(Cl)=N1 L18383 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.2 CCC1=NC=CC(N)=C1 L18226 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.2 CNC1=CC(Br)=CN=C1 P51196 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.2 CNC1=CC(C)=CC=N1 Q58361 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.2 CNC1=CC(C)=CC=N1 Q58362 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.2 CNC1=CC(O)=CC=C1 P41161 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.2 CNC1=CC=CC(F)=N1 Q58333 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.2 CNC1=CC=CC(I)=C1 P37043 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.2 CNC1=NC=CC(I)=C1 N26836 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.2 COC1=CC(C)=CN=C1 N25271 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.2 COC1=CC(F)=NC=C1 Q67856 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.2 COC1=CC(N)=CN=C1 Q56314 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.2 COC1=CC=CC(I)=N1 O32550 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.2 COC1=CN=CC(Cl)=C1 S70722 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.2 COC1=CN=CC(N)=C1 G-6107 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.2 COC1=CN=CC(O)=C1 O31805 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.2 COC1=NC=CC(Br)=C1 Q67517 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.2 COC1=NC=CC(Cl)=C1 Q68014 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.2 COC1=NC=CC(I)=C1 Q67717 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.2 COC1=NC=CC(N)=C1 G-5580 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.2 COC1=NC=CC(O)=C1 N25339 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.2 CSC1=CC(F)=NC=C1 N26858 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.2 CSC1=CC=CC(Br)=N1 P51643 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.2 CSC1=CN=CC(Br)=C1 Q67547 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.2 CSC1=CN=CC(Cl)=C1 N26275 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.2 CSC1=CN=CC(O)=C1 N26050 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.2 ClC1=CN=CC(CBr)=C1 Q53180 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.2 ClC1=NC(CBr)=CC=C1 N26153 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.2 ClCC1=CC(Cl)=CN=C1 F-4077 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.2 ClCC1=CC(Cl)=NC=C1 I-9215 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.2 ClCC1=CN=CC(Cl)=C1 Q53715 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.2 FC1=CN=CC(CCl)=C1 C-3497 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [1,1,0,0,0,0|1,0,1]=4 457 B9R1.2 NC1=CC(CO)=NC=C1 P43136 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.2 NC1=NC=CC(CO)=C1 G-7574 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 NCC1=CC(=O)NC=C1 C-3609 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.2 NCC1=CC(=O)NC=C1 P44155 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.2 NCC1=CC(Br)=CN=C1 O31870 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.2 NCC1=CC(Cl)=NC=C1 I-9257 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.2 NCC1=CC(Cl)=NC=C1 L22480 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.2 NCC1=CC(F)=CC=N1 Q52932 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.2 NCC1=CC(F)=NC=C1 O29911 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.2 NCC1=CC(F)=NC=C1 O31041 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.2 NCC1=CC(N)=NC=N1 G-6200 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 NCC1=CC(O)=CC=C1 P36367 [1,1,0,0,0,0|0,0,0]=2 469 B9R1.2 NCC1=CC=CC(=O)N1 O30155 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.2 NCC1=CC=CC(F)=C1 N26365 [1,1,0,0,0,0|0,0,0]=2 471 B9R1.2 NCC1=CC=NC(Cl)=N1 P48695 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.2 NCC1=CC=NC(Cl)=N1 Q56710 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 NCC1=CN=CC(F)=C1 C-3498 [1,1,0,0,0,0|1,0,0]=3 474 B9R1.2 NCC1=CN=CC(N)=C1 O29974 [1,1,0,0,0,0|1,0,0]=3 475 B9R1.2 NCC1=CN=CC(N)=C1 O31108 [1,1,0,0,0,0|1,0,0]=3 476 B9R1.2 NCC1=C[N+]([O-])=CC=C1 Q55759 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.2 NCC1=NC(=O)NC=C1 Q51935 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 NCC1=NC(Br)=CC=C1 O34414 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.2 NCC1=NC(F)=CC=C1 O30290 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.2 NCC1=NC(F)=CC=C1 O31621 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.2 NCC1=NC(N)=CC=C1 L20065 [1,1,0,0,0,0|1,0,0]=3 482 B9R1.2 NCC1=NC(N)=CC=C1 Q62425 [1,1,0,0,0,0|1,0,0]=3 483 B9R1.2 NCC1=NC(N)=CC=C1 Q62426 [1,1,0,0,0,0|1,0,0]=3 484 B9R1.2 NCC1=NC=CC(Br)=C1 G-5659 [1,1,0,0,0,0|1,0,0]=3 485 B9R1.2 NCC1=NC=CC(Br)=C1 O33288 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.2 NCC1=NC=CC(Br)=C1 Q51926 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.2 NCC1=NC=CC(Cl)=C1 I-9896 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.2 NCC1=NC=CC(Cl)=C1 Q56342 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.2 NCC1=NC=CC(Cl)=N1 H-8844 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.2 NCC1=NC=CC(Cl)=N1 Q52695 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 NCC1=NC=CC(F)=C1 O29654 [1,1,0,0,0,0|1,0,0]=3 492 B9R1.2 NCC1=NC=CC(N)=N1 Q58583 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 NCC1=NC=CC(O)=C1 O29566 [1,1,0,0,0,0|1,0,0]=3 494 B9R1.2 NCC1=NC=NC(N)=C1 L13264 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.2 NCC1=NC=NC(O)=C1 G-6198 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 NNC1=CC(Cl)=NC=C1 O30804 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.2 NNC1=CN=CC(Br)=C1 Q57187 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 NNC1=CN=CC(Br)=C1 Q57188 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 NNC1=NC=CC(Cl)=C1 P43285 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.2 N\N=C1/C=C(I)C=CN1 N25209 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 O=C1C=C(CO)C=CN1 C-2797 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 O=C1C=CC=C(CO)N1 Q52489 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 OC1=CC=CC(CBr)=C1 O29845 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.2 OCC1=CC(Cl)=CN=C1 P39543 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.2 OCC1=CC(Cl)=NC=C1 Q67739 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 OCC1=CC(F)=CN=C1 C-3496 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.2 OCC1=CC(F)=NC=C1 P41706 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.2 OCC1=CN=CC(Br)=C1 P38449 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.2 OCC1=NC(Br)=CC=C1 P38733 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.2 OCC1=NC(F)=CC=C1 P38880 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 OCC1=NC=CC(Br)=C1 B-1208 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 OCC1=NC=CC(F)=C1 O29281 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 O29734 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.6 CC(N)C1=CC=NC=N1 Q51822 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.6 CC(N)C1=CC=NN=C1 G-7533 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.6 CC(N)C1=CC=NN=C1 L13924 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.6 CC(N)C1=CN=CN=C1 G-5168 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.6 CC(N)C1=CN=CN=C1 Q51812 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.6 CC(N)C1=NC=CC=N1 Q55479 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.6 CC(O)C1=CN=CN=C1 Q55478 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.6 C[C@@H](N)C1=CN=CN=C1 I-9747 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.6 C[C@@H](N)C1=NC=CC=N1 Q57196 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.6 C[C@H](N)C1=CN=CN=C1 Q51933 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q57195 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q65669 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.15 BrCC1=CC=CN=C1Br O30364 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.15 BrCC1=NC=CC=C1Br O34067 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.15 C#CC1=CC=CC=C1Br O27884 [1,1,0,0,0,0|0,0,2]=4 537 B9R1.15 C#CC1=CC=CC=C1C O28000 [1,1,0,0,0,0|0,0,2]=4 538 B9R1.15 C#CC1=CC=CC=C1N L13529 [1,1,0,0,0,0|0,0,2]=4 539 B9R1.15 C#CC1=CC=CC=C1O O30353 [1,1,0,0,0,0|0,0,2]=4 540 B9R1.15 C=CC1=CC=CC=C1N O30540 [1,1,0,0,0,0|0,0,2]=4 541 B9R1.15 CC1=C(CBr)C=CC=N1 L22017 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.15 CC1=C(CCl)C=CN=C1 L18062 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.15 CC1=C(CN)C=CN=C1 O30239 [1,1,0,0,0,0|1,0,0]=3 544 B9R1.15 CC1=C(CN)C=NC=C1 G-7930 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.15 CC1=C(CO)C=NC=C1 G-7931 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.15 CC1=C(CO)N=CC=C1 Q62329 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.15 CC1=CC=CN=C1CBr O30100 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.15 CC1=CC=CN=C1CN P40986 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.15 CC1=CC=NN=C1CN O32943 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.15 CC1=CN=CC=C1CO C-2894 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.15 CC1=NC=CC=C1CCl L13040 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.15 CC1=NC=CC=C1CN P37228 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.15 CC1=NC=CC=C1CO 10789 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.15 CC1=NC=CN=C1CN G-7282 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.15 CC1=NC=CN=C1CN Q56446 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.15 CCC1=C(Br)C=CN=C1 G-5778 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.15 CCC1=C(Br)C=CN=C1 L22190 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.15 CCC1=C(Br)C=CN=C1 Q52444 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.15 CCC1=C(Br)C=NC=C1 P44427 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.15 CCC1=CC=CN=C1N P38117 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.15 CCC1=NC=NC=C1F C-2874 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.15 CNC1=NC=CC=C1F Q69363 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.15 CNC1=NC=CC=C1I N27017 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.15 CNC1=NC=CC=C1N M23208 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.15 COC1=C(Br)C=CN=C1 H-8447 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.15 COC1=C(Br)C=CN=C1 O30229 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.15 COC1=C(Br)C=NC=C1 O30836 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.15 COC1=C(I)C=NC=C1 N24568 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.15 COC1=C(N)C=CN=C1 I-9880 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.15 COC1=C(N)C=NC=C1 O31833 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.15 COC1=C(O)C=NC=C1 O30206 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.15 COC1=CC=CN=C1Br Q70056 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.15 COC1=CC=CN=C1Cl Q67413 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.15 COC1=CC=CN=C1F Q67464 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.15 COC1=CC=CN=C1N Q67917 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.15 COC1=NC=CC=C1Br Q66368 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.15 COC1=NC=CC=C1Cl Q67093 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.15 COC1=NC=CC=C1O Q67611 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.15 CSC1=C(Br)C=CN=C1 N25058 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.15 CSC1=C(F)C=NC=C1 N26954 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.15 CSC1=CC=CN=C1Cl N24208 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.15 CSC1=CC=CN=C1F Q67766 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.15 CSC1=NC=CC=C1Cl N27821 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.15 ClC1=CC=CN=C1CBr O29992 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.15 ClC1=CC=CN=C1CBr O30940 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.15 ClCC1=CC=CN=C1Cl G-5569 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 FC1=C(CCl)C=CC=N1 Q55014 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.15 FC1=CC=CN=C1CBr F-4122 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.15 FC1=CC=CN=C1CBr L22053 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.15 FC1=CN=CC=C1CBr Q64618 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.15 FC1=NC=CC=C1CBr P38938 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.15 NC1=C(CO)C=NC=C1 O34460 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.15 NC1=CC=CC=C1CO G-7793 [1,1,0,0,0,0|1,0,0]=3 594 B9R1.15 NC1=NC=CC=C1CO O32321 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.15 NCC1=C(Br)C=NC=C1 Q52844 [1,1,0,0,0,0|1,0,0]=3 596 B9R1.15 NCC1=C(Cl)C=NC=C1 O29784 [1,1,0,0,0,0|1,0,0]=3 597 B9R1.15 NCC1=C(F)C=NC=C1 O30341 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.15 NCC1=C(F)C=NC=C1 O31298 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.15 NCC1=C(N)C=CN=C1 Q53195 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.15 NCC1=C(O)C=CN=C1 Q62259 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.15 NCC1=CC=CC=C1Br P38336 [1,1,0,0,0,0|0,0,0]=2 602 B9R1.15 NCC1=CC=CC=C1I P38307 [1,1,0,0,0,0|0,0,0]=2 603 B9R1.15 NCC1=CC=CN=C1Cl G-7575 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.15 NCC1=CC=CN=C1Cl O31037 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.15 NCC1=CC=CN=C1N Q58373 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.15 NCC1=CN=CN=C1N Q58608 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 NCC1=NC=CC=C1Br P43535 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.15 NCC1=NC=CC=C1Cl L14332 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.15 NCC1=NC=CC=C1Cl P37858 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.15 NCC1=NC=CC=C1F L21946 [1,1,0,0,0,0|1,0,0]=3 611 B9R1.15 NCC1=NC=CC=C1F P45775 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.15 NCC1=NC=CN=C1Cl I-9639 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.15 NCC1=NC=CN=C1Cl M15838 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 N\N=C1\NC=CC=C1I N25345 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 O=C1NC=CC=C1CO L18304 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 O=CC1=C(I)C=CC=C1 G-5775 [1,1,0,0,0,0|1,0,1]=4 617 B9R1.15 OCC1=C(Br)C=CN=C1 N25303 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 OCC1=C(Br)C=CN=C1 N25521 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 OCC1=C(Br)C=CN=C1 N25828 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 OCC1=C(Br)C=NC=C1 P41171 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 OCC1=C(Cl)C=CN=C1 O31919 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 OCC1=C(Cl)C=NC=C1 P36007 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 OCC1=C(F)C=CN=C1 L14446 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 OCC1=C(F)C=CN=C1 Q55508 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 OCC1=C(F)C=NC=C1 G-5482 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 OCC1=CC=CN=C1Br P41707 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 OCC1=CC=CN=C1Cl C-3458 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 OCC1=CC=CN=C1F Q67775 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 OCC1=NC=CC=C1F C-2822 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 OCC1=NC=CC=C1O P41369 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 [O-][N+]1=CC=CC=C1CCl O31709 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.7 CC1=CC=C(CCO)O1 P51657 [0,1,0,0,1,0|2,0,0]=4 633 B9R1.7 CC1=CSC(CCN)=N1 L20707 [0,1,0,0,1,0|2,0,0]=4 634 B9R1.7 CC1=NC(CCN)=CN1 O32293 [0,1,0,0,1,0|2,0,0]=4 635 B9R1.7 CC1=NOC(CCN)=C1 L19848 [0,1,0,0,1,0|2,0,0]=4 636 B9R1.7 CN1C=C(CCN)C=N1 O29786 [0,1,0,0,1,0|2,0,0]=4 637 B9R1.11 NC(CO)C1=CC=CO1 P39130 [0,1,0,0,1,0|2,0,0]=4 638 B9R1.11 NC(CO)C1=CSC=C1 P42431 [0,1,0,0,1,0|2,0,0]=4 639 B9R1.11 NCC(O)C1=CC=CO1 P39131 [0,1,0,0,1,0|1,0,0]=3 640 B9R1.11 OC[C@@H](O)C1=CC=CO1 P51763 [0,1,0,0,1,0|2,0,0]=4 641 B9R1.12 BrCCCC1=CC=CS1 P38955 [0,1,0,0,1,0|2,0,0]=4 642 B9R1.12 BrCCCC1=CSC=C1 P42249 [0,1,0,0,1,0|2,0,0]=4 643 B9R1.12 CCNCC1=CC=CO1 P41212 [0,1,0,0,1,0|2,0,0]=4 644 B9R1.12 CNCCC1=CC=CS1 P42768 [0,1,0,0,1,0|1,0,0]=3 645 B9R1.12 CNCCN1C=CC=N1 P34875 [0,1,0,0,1,0|2,0,0]=4 646 B9R1.12 NCCCC1=CC=CS1 P37165 [0,1,0,0,1,0|1,0,0]=3 647 B9R1.12 NCCCC1=CON=C1 L18956 [0,1,0,0,1,0|2,0,0]=4 648 B9R1.12 NCCCN1C=CC=N1 P36232 [0,1,0,0,1,0|2,0,0]=4 649 B9R1.12 NNCCN1C=CC=N1 L20275 [0,1,0,0,1,0|2,0,0]=4 650 B9R1.12 OCCCN1C=CC=C1 O31138 [0,1,0,0,1,0|2,0,0]=4 651 B9R1.33 CC1=C(CCN)SC=N1 P37210 [0,1,0,0,1,0|2,0,0]=4 652 B11R1.1 BrCCCC1=CC=C(Br)C=C1 O28558 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.1 BrCCOC1=CC=C(Br)C=C1 P40240 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.1 C#CCOC1=CC=C(Br)C=C1 P38782 [0,2,0,0,0,0|1,0,1]=4 655 B11R1.1 C#CCOC1=CC=C(C)C=C1 P37379 [0,2,0,0,0,0|1,0,1]=4 656 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 P40177 [0,2,0,0,0,0|1,0,1]=4 657 B11R1.1 C#CCOC1=CC=C(F)C=C1 P42073 [0,2,0,0,0,0|1,0,1]=4 658 B11R1.1 C#CCOC1=CC=C(N)C=C1 P39226 [0,2,0,0,0,0|1,0,1]=4 659 B11R1.1 C=CCOC1=CC=C(Br)C=C1 M22970 [0,2,0,0,0,0|1,0,1]=4 660 B11R1.1 C=CCOC1=CC=C(Cl)C=C1 P41385 [0,2,0,0,0,0|1,0,1]=4 661 B11R1.1 CC1=CC=C(C#CCO)C=C1 O27973 [0,2,0,0,0,0|1,0,1]=4 662 B11R1.1 CC1=CC=C(CCCN)C=C1 P37491 [0,2,0,0,0,0|0,0,0]=2 663 B11R1.1 CC1=CC=C(CCCO)C=C1 P37548 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.1 CC1=CC=C(NCCN)N=C1 Q58257 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.1 CC1=CC=C(OCCN)C=C1 P39224 [0,2,0,0,0,0|0,0,0]=2 666 B11R1.1 CC1=CC=C(OCCO)C=C1 P41034 [0,2,0,0,0,0|1,0,0]=3 667 B11R1.1 CCCNC1=CC=C(Br)C=C1 L20694 [0,2,0,0,0,0|1,0,0]=3 668 B11R1.1 CCCOC1=NC=C(Cl)C=C1 Q67615 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.1 CCOCC1=CC=C(Br)C=C1 Q68272 [0,2,0,0,0,0|1,0,0]=3 670 B11R1.1 CCOCC1=CN=C(N)C=C1 O29975 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.1 CNCCC1=CC=C(Br)C=C1 P36407 [0,2,0,0,0,0|0,0,0]=2 672 B11R1.1 CNCCC1=CC=C(C)C=C1 P39523 [0,2,0,0,0,0|0,0,0]=2 673 B11R1.1 CNCCC1=CC=C(Cl)C=C1 P38411 [0,2,0,0,0,0|0,0,0]=2 674 B11R1.1 CNCCC1=CC=C(F)C=C1 P38002 [0,2,0,0,0,0|0,0,0]=2 675 B11R1.1 COCOC1=CC=C(Br)C=C1 Q66626 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.1 COCOC1=CC=C(C)C=C1 Q67077 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.1 COCOC1=CC=C(Cl)C=C1 Q66756 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.1 COCOC1=CC=C(F)C=C1 Q66729 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.1 ClC1=CC=C(CCCBr)C=C1 P36856 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.1 ClC1=CC=C(OCCBr)C=C1 P39956 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.1 ClCCOC1=CC=C(Br)C=C1 Q66285 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.1 FC1=CC=C(CCCBr)C=C1 P39413 [0,2,0,0,0,0|1,0,0]=3 683 B11R1.1 FCCOC1=CC=C(Br)C=C1 Q66290 [0,2,0,0,0,0|1,0,0]=3 684 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 P38827 [0,2,0,0,0,0|0,0,1]=3 685 B11R1.1 N#CCNC1=CC=C(Cl)C=C1 P39380 [0,2,0,0,0,0|0,0,2]=4 686 B11R1.1 N#CCOC1=CC=C(F)C=C1 P39441 [0,2,0,0,0,0|0,0,2]=4 687 B11R1.1 NC1=CC=C(CCCO)C=C1 O28226 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.1 NC1=CC=C(NCCO)C=C1 P40155 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.1 NC1=CC=C(OCCO)C=C1 P36875 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.1 NCCCC1=CC=C(Br)C=C1 P36773 [0,2,0,0,0,0|0,0,0]=2 691 B11R1.1 NCCCC1=CC=C(Cl)C=C1 P40263 [0,2,0,0,0,0|0,0,0]=2 692 B11R1.1 NCCCC1=CC=C(F)C=C1 P43064 [0,2,0,0,0,0|0,0,0]=2 693 B11R1.1 NCCCC1=CC=C(N)C=C1 P35188 [0,2,0,0,0,0|0,0,0]=2 694 B11R1.1 NCCNC1=CC=C(Br)C=C1 P37781 [0,2,0,0,0,0|0,0,0]=2 695 B11R1.1 NCCNC1=CC=C(F)C=C1 P37782 [0,2,0,0,0,0|0,0,0]=2 696 B11R1.1 NCCNC1=NC=C(Br)C=C1 P40044 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.1 NCCOC1=CC=C(Br)C=C1 P39225 [0,2,0,0,0,0|0,0,0]=2 698 B11R1.1 NCCOC1=CC=C(Cl)C=C1 P39041 [0,2,0,0,0,0|0,0,0]=2 699 B11R1.1 NCCOC1=CC=C(Cl)C=N1 Q58385 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.1 NCCOC1=CC=C(F)C=C1 P37101 [0,2,0,0,0,0|0,0,0]=2 701 B11R1.1 NCCOC1=CC=C(N)C=C1 P36425 [0,2,0,0,0,0|0,0,0]=2 702 B11R1.1 NCCOC1=CC=C(O)C=C1 P37780 [0,2,0,0,0,0|0,0,0]=2 703 B11R1.1 NCCOC1=NC=C(Cl)C=C1 Q62434 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.1 NCCSC1=CC=C(Br)C=C1 P36571 [0,2,0,0,0,0|0,0,0]=2 705 B11R1.1 OCC#CC1=CC=C(Br)C=C1 O27965 [0,2,0,0,0,0|1,0,1]=4 706 B11R1.1 OCC#CC1=CC=C(Cl)C=C1 O27975 [0,2,0,0,0,0|1,0,1]=4 707 B11R1.1 OCC#CC1=CC=C(F)C=C1 O27979 [0,2,0,0,0,0|1,0,1]=4 708 B11R1.1 OCCCC1=CC=C(Br)C=C1 P39318 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.1 OCCCC1=CC=C(F)C=C1 P36540 [0,2,0,0,0,0|1,0,0]=3 710 B11R1.1 OCCOC1=CC=C(Br)C=C1 P38648 [0,2,0,0,0,0|1,0,0]=3 711 B11R1.1 OCCOC1=CC=C(Cl)C=C1 P40217 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.1 OCCOC1=CC=C(F)C=C1 P39022 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.1 OCCOC1=CC=C(I)C=C1 P39004 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.1 OCCOC1=NC=C(Br)C=C1 N25245 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 P42284 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 P36150 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.20 CC(C)NC1=CC=C(F)C=C1 P36529 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Q66408 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Q67546 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.20 CC(C)OC1=CC=C(O)C=C1 O30893 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [0,2,0,0,0,0|0,0,0]=2 722 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 P43234 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.20 N=C(N)CC1=CC=C(F)N=C1 H-8033 [0,2,0,0,0,0|1,0,1]=4 725 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [0,2,0,0,0,0|0,0,1]=3 726 B11R1.22 C#CC(O)C1=CC=C(Cl)C=C1 P38985 [0,2,0,0,0,0|1,0,1]=4 727 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 P38144 [0,2,0,0,0,0|0,0,2]=4 728 B11R1.22 CC(C#N)C1=CC=C(F)C=C1 P37672 [0,2,0,0,0,0|0,0,2]=4 729 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 P39316 [0,2,0,0,0,0|0,0,0]=2 730 B11R1.22 CC(CN)C1=CC=C(F)C=C1 P38013 [0,2,0,0,0,0|0,0,0]=2 731 B11R1.22 CC(NN)C1=CC=C(Br)C=C1 L20939 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 L20940 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [0,2,0,0,0,0|0,0,1]=3 734 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.22 CC1=CC=C(C(O)CN)C=C1 P37591 [0,2,0,0,0,0|0,0,0]=2 736 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 P36287 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 P36295 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.22 CCC(N)C1=CC=C(F)C=C1 P36286 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.22 CCC(O)C1=CC=C(Cl)C=C1 P41437 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.22 CCN(C)C1=CC=C(N)C=C1 P39418 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 P39994 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 P40406 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.22 NC(CO)C1=CC=C(F)C=C1 P41377 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 P40081 [0,2,0,0,0,0|0,0,1]=3 747 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 P38182 [0,2,0,0,0,0|0,0,0]=2 748 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 P38165 [0,2,0,0,0,0|0,0,0]=2 749 B11R1.22 NCC(O)C1=CC=C(F)C=C1 P38012 [0,2,0,0,0,0|0,0,0]=2 750 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 P38585 [0,2,0,0,0,0|1,0,0]=3 751 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 P42773 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 P40509 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 P43288 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 P40187 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 P39567 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 O31201 [0,2,0,0,0,0|1,0,1]=4 757 B11R1.81 CC1=CC(=O)N(CCN)C=N1 Q58727 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.81 CC1=CC(F)=CC=C1CC#N A-659 [0,2,0,0,0,0|0,0,2]=4 759 B11R1.81 CCOC1=C(Cl)C=C(O)C=C1 N25182 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.81 CCOC1=C(F)C=C(O)C=C1 N24700 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.81 CCOC1=CC=C(Br)C=C1C Q67231 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.81 CCOC1=CC=C(C)C=C1Br Q66572 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.81 CCOC1=CC=C(Cl)C=C1Br N25533 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.81 CCOC1=CC=C(Cl)C=C1O N25020 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.81 CCOC1=CC=C(F)C=C1Br Q66396 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.81 CCOC1=CC=C(F)C=C1Cl Q67082 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.81 CCOC1=CC=C(F)C=C1F N26821 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.81 CCOC1=CC=C(F)C=C1O N25130 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.81 CNCC1=CC=C(C)C=C1C P36179 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl G-5816 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.81 CNCC1=CC=C(F)C=C1F P36557 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.81 ClC1=CC=C(CCBr)C(Cl)=C1 P42712 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.81 FC1=CC=C(CCBr)C(F)=C1 P39746 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.81 NC1=CC(=O)N(CCO)C=C1 Q54921 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.81 NCCC1=CC=C(Br)C=C1Br P41426 [0,2,0,0,0,0|0,0,0]=2 776 B11R1.81 NCCC1=CC=C(F)C=C1F P41573 [0,2,0,0,0,0|0,0,0]=2 777 B11R1.81 NNCC1=CC=C(Cl)C=C1Cl Q51856 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.81 NNCC1=CC=C(F)C=C1Cl Q51854 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.81 O=C1C=C(Br)C=CN1CCF Q55601 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.81 O=C1C=C(Br)C=CN1CCO Q55600 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.81 OCCC1=CC=C(Br)C=C1Cl P35108 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.81 OCCC1=CC=C(Cl)C=C1Br O29351 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.81 OCCC1=CC=C(Cl)C=C1Cl P35959 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.81 OCCC1=CC=C(F)C=C1F O27872 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.81 OCCC1=NC=C(F)C=C1F Q54945 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.83 CCC1=CC=C(CCN)C=C1 P36862 [0,2,0,0,0,0|0,0,0]=2 787 B11R1.83 CCC1=CC=C(CNC)C=C1 P37356 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.83 CCCC1=CN=C(OC)C=C1 N26472 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.83 CCNC1=CC=C(CC)C=C1 P37885 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.83 CCNC1=CC=C(OC)C=C1 P42858 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.83 CCOC1=CC=C(CBr)C=C1 P39282 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.83 CNCC1=CC=C(C#N)C=C1 P38675 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.83 CNCC1=CC=C(CN)C=C1 P38885 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.83 COC1=CC=C(CCBr)C=C1 P41235 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.83 COC1=CC=C(CNN)C=C1 C-3256 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.83 COCC1=CC=C(C=O)C=C1 N25868 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.83 COCC1=CC=C(CO)C=C1 M23214 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.83 N#CC1=CC=C(CC=O)C=C1 K12007 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.192 CC1=C(F)C=CC(CCO)=N1 Q53007 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.192 CC1=CC=C(CC#N)C=C1C P38953 [0,2,0,0,0,0|0,0,2]=4 801 B11R1.192 CCOC1=CC(F)=C(C)C=C1 N24366 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.192 CCOC1=CC=C(Br)C(C)=C1 Q66720 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 Q66397 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.192 CCOC1=CC=C(Br)C(F)=C1 Q67492 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.192 CCOC1=CC=C(C)C(Br)=C1 N26273 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.192 CCOC1=CC=C(C)C(O)=C1 N25713 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.192 CCOC1=CC=C(F)C(O)=C1 N25197 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.192 CCOC1=CC=C(O)C(Cl)=C1 N25132 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.192 CNCC1=CC=C(C)C(C)=C1 P40736 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.192 CNCC1=CC=C(F)C(Br)=C1 Q66119 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.192 CNCC1=CC=C(F)C(Cl)=C1 Q66040 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.192 CNCC1=CC=C(F)C(F)=C1 P36292 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.192 COCC1=CC=C(Br)C(C)=C1 N26886 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.192 COCC1=CC=C(Cl)C(Br)=C1 N26925 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.192 ClC1=CC=C(CCBr)C=C1Cl P38351 [0,2,0,0,0,0|1,0,0]=3 816 B11R1.192 FC1=CC=C(CCBr)C=C1F P40504 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.192 N#CCC1=CC=C(Br)C(F)=C1 H-8275 [0,2,0,0,0,0|0,0,2]=4 818 B11R1.192 NCCC1=CC=C(Cl)C(F)=C1 O32009 [0,2,0,0,0,0|0,0,0]=2 819 B11R1.192 NCCC1=CC=C(F)C(F)=C1 P39635 [0,2,0,0,0,0|0,0,0]=2 820 B11R1.192 OCCC1=CC(Br)=C(Cl)N=C1 L18305 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.192 OCCC1=CC=C(F)C(F)=C1 P39050 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.192 OCCC1=CC=C(O)C(O)=C1 M15188 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.13 CCOC1=C(N)C(N)=CC=C1 O29910 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.13 CNCC1=CC=CC(Br)=C1F N24854 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.13 COCC1=C(F)C(Br)=CC=C1 O32038 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.13 ClC1=C(Cl)C(CCBr)=CC=C1 P34812 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.13 FC1=C(F)C(CCBr)=CC=C1 P41924 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.13 N#CCC1=CC=CC(F)=C1I O29631 [0,2,0,0,0,0|0,0,2]=4 829 B11R1.13 OCCC1=CC=CC(F)=C1F O27892 [0,2,0,0,0,0|1,0,0]=3 830 B11R1.17 BrCCCC1=CC=CC=C1Br O28828 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.17 C#CCOC1=CC=CC=C1C P37378 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.17 CC1=CC=CC=C1C#CCO O27860 [0,2,0,0,0,0|1,0,1]=4 833 B11R1.17 CC1=CC=CC=C1CCCN P36201 [0,2,0,0,0,0|0,0,0]=2 834 B11R1.17 CC1=CC=CC=C1OCCBr P40239 [0,2,0,0,0,0|1,0,0]=3 835 B11R1.17 CC1=CC=CC=C1OCCN P39223 [0,2,0,0,0,0|0,0,0]=2 836 B11R1.17 CC1=CC=CC=C1OCCO P37048 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.17 CCCNC1=NC=CC=C1N Q58286 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.17 CNCCC1=CC=CC=C1Br Q66105 [0,2,0,0,0,0|0,0,0]=2 839 B11R1.17 CNCCC1=CC=CC=C1C P36240 [0,2,0,0,0,0|0,0,0]=2 840 B11R1.17 CNCCC1=CC=CC=C1Cl P37635 [0,2,0,0,0,0|0,0,0]=2 841 B11R1.17 CNCCC1=CC=CC=C1F P37905 [0,2,0,0,0,0|0,0,0]=2 842 B11R1.17 COCOC1=C(N)C=CC=C1 L20232 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.17 COCOC1=CC=CC=C1Br Q66625 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.17 COCOC1=CC=CC=C1C Q68157 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.17 COCOC1=CC=CC=C1Cl N25780 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.17 COCOC1=CC=CC=C1F Q66727 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.17 ClC1=CC=CC=C1CCCBr P37495 [0,2,0,0,0,0|1,0,0]=3 848 B11R1.17 ClC1=CC=CC=C1OCCBr P40241 [0,2,0,0,0,0|1,0,0]=3 849 B11R1.17 FC1=CC=CC=C1CCCBr P41797 [0,2,0,0,0,0|1,0,0]=3 850 B11R1.17 N#CCOC1=CC=CC=C1N P38881 [0,2,0,0,0,0|0,0,2]=4 851 B11R1.17 NC1=CC=CC=C1OCCO P38113 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.17 NCCCC1=CC=CC=C1Br P36821 [0,2,0,0,0,0|0,0,0]=2 853 B11R1.17 NCCCC1=CC=CC=C1Cl P40265 [0,2,0,0,0,0|0,0,0]=2 854 B11R1.17 NCCCC1=CC=CC=C1F P35165 [0,2,0,0,0,0|0,0,0]=2 855 B11R1.17 NCCCN1C=CC=NC1=O S72631 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.17 NCCCN1N=CC=CC1=O L20832 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.17 NCCOC1=CC=CC=C1Br P39218 [0,2,0,0,0,0|0,0,0]=2 858 B11R1.17 NCCOC1=CC=CC=C1Cl P39230 [0,2,0,0,0,0|0,0,0]=2 859 B11R1.17 NCCOC1=CC=CC=C1F P42323 [0,2,0,0,0,0|0,0,0]=2 860 B11R1.17 NCCOC1=NC=CC=C1Cl Q58383 [0,2,0,0,0,0|1,0,0]=3 861 B11R1.17 NCCOC1=NC=CC=C1Cl Q58384 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.17 NCCOC1=NC=CC=C1F Q58414 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.17 NCCOC1=NC=CC=C1F Q58415 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.17 OCC#CC1=CC=CC=C1Cl O27858 [0,2,0,0,0,0|1,0,1]=4 865 B11R1.17 OCC#CC1=CC=CC=C1F O27859 [0,2,0,0,0,0|1,0,1]=4 866 B11R1.17 OCCCC1=CC=CC=C1Cl P36965 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.17 OCCCC1=CC=CC=C1F P36169 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.17 OCCOC1=CC=CC=C1Br P38647 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.17 OCCOC1=CC=CC=C1Cl P40969 [0,2,0,0,0,0|1,0,0]=3 870 B11R1.17 OCCOC1=CC=CC=C1F P39023 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.17 OCCOC1=CC=CC=C1I P36652 [0,2,0,0,0,0|1,0,0]=3 872 B11R1.41 CCCC1=C(C=O)C=CC=N1 Q60346 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.41 CCNC1=CC=CC=C1OC P41015 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.41 CNCC1=CC=CC=C1OC P36594 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.41 COC1=CC=CC=C1CCBr O28117 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.41 COC1=CC=CC=C1CCI P42548 [0,2,0,0,0,0|1,0,0]=3 877 B11R1.86 CC(C)NC1=CC=CC=C1Br P40936 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.86 CC(C)NC1=CC=CC=C1Cl P36079 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.86 CC(C)NC1=CC=CC=C1F P42616 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.86 CC(C)NC1=CC=CC=C1N P36500 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.86 CC(C)OC1=CC=CC=C1F Q67217 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.86 CC(N)CC1=C(O)C=CC=C1 L19732 [0,2,0,0,0,0|0,0,0]=2 883 B11R1.86 CN(C)CC1=CC=CC=C1Br Q68057 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.86 CN(C)CC1=CC=CC=C1N P40192 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.86 NC1=CC=CC=C1CC(=O)O P38750 [0,2,0,0,0,0|1,0,1]=4 886 B11R1.86 OB(O)CC1=C(Cl)C=CC=C1 L20522 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.86 OC1=CC=CC=C1OC(F)F M15813 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.182 C=CCC1=C(O)C=CC(Cl)=C1 L19203 [0,2,0,0,0,0|1,0,1]=4 889 B11R1.182 CC1=CC=C(C)C(CNN)=C1 L21088 [0,2,0,0,0,0|1,0,0]=3 890 B11R1.182 CCCC1=CC(O)=CC=C1Cl O29485 [0,2,0,0,0,0|1,0,0]=3 891 B11R1.182 CCOC1=C(Br)C=CC(Br)=C1 N25686 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.182 CCOC1=C(Br)C=CC(O)=C1 H-8355 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.182 CCOC1=C(Cl)C=CC(Br)=C1 N24921 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.182 CCOC1=CC(Br)=CC=C1C Q66415 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.182 CCOC1=CC(Br)=CC=C1F Q67057 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.182 CCOC1=CC(C)=CC=C1Br N27758 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.182 CCOC1=CC(F)=CC=C1Br Q67521 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.182 CNCC1=CC(Cl)=CC=C1Cl M23031 [0,2,0,0,0,0|2,0,0]=4 899 B11R1.182 CNCC1=CC(F)=CC=C1F Q66047 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.182 ClC1=CC=C(Cl)C(CCBr)=C1 P38258 [0,2,0,0,0,0|1,0,0]=3 901 B11R1.182 FC1=CC=C(F)C(CCBr)=C1 P41606 [0,2,0,0,0,0|1,0,0]=3 902 B11R1.182 NCCN1C=C(Br)C=CC1=O Q58261 [0,2,0,0,0,0|1,0,0]=3 903 B11R1.182 OCCC1=CC(Cl)=CC=C1Cl P40249 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.182 OCCC1=CC(F)=CC=C1F O27997 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.222 C#CC(O)C1=CC=CC=C1Cl P40184 [0,2,0,0,0,0|1,0,1]=4 906 B11R1.222 CC1=CC=CC=C1C(=O)CBr O28087 [0,2,0,0,0,0|1,0,1]=4 907 B11R1.222 CC1=CC=CC=C1C(N)CO P42682 [0,2,0,0,0,0|1,0,0]=3 908 B11R1.222 CC1=CC=CC=C1C(O)CN P41633 [0,2,0,0,0,0|0,0,0]=2 909 B11R1.222 CCC(N)C1=CC=CC=C1C P37948 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.222 CCC(N)C1=CC=CC=C1Cl Q66027 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.222 NC(CO)C1=CC=CC=C1Br P42427 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.222 NC(CO)C1=CC=CC=C1Cl P41841 [0,2,0,0,0,0|1,0,0]=3 913 B11R1.222 NC(CO)C1=CC=CC=C1F P40408 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.222 NCC(=O)C1=CC=CC=C1Br P35565 [0,2,0,0,0,0|0,0,1]=3 915 B11R1.222 NCC(=O)C1=CC=CC=C1Cl P40753 [0,2,0,0,0,0|0,0,1]=3 916 B11R1.222 NCC(=O)C1=CC=CC=C1O P37785 [0,2,0,0,0,0|0,0,1]=3 917 B11R1.222 NCC(O)C1=CC=CC=C1Br P36482 [0,2,0,0,0,0|0,0,0]=2 918 B11R1.222 NCC(O)C1=CC=CC=C1Cl P39491 [0,2,0,0,0,0|0,0,0]=2 919 B11R1.222 NCC(O)C1=CC=CC=C1F P38828 [0,2,0,0,0,0|0,0,0]=2 920 B11R1.222 N[C@@H](CO)C1=CC=CC=C1Cl P42273 [0,2,0,0,0,0|1,0,0]=3 921 B11R1.222 N[C@H](CO)C1=CC=CC=C1Cl P39761 [0,2,0,0,0,0|1,0,0]=3 922 B11R1.222 O=C(CBr)C1=CC=CC=C1Br P37875 [0,2,0,0,0,0|1,0,1]=4 923 B11R1.222 O=C(CF)C1=CC=CC=C1F P51651 [0,2,0,0,0,0|1,0,1]=4 924 B11R1.605 CCOC1=C(Cl)C=CC=C1Br O28999 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.605 CCOC1=C(Cl)C=CC=C1Cl N26835 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.605 CCOC1=C(F)C=CC=C1Br Q67050 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.605 ClC1=CC=CC(Cl)=C1CCBr P38259 [0,2,0,0,0,0|1,0,0]=3 928 B11R1.605 FC1=CC=CC(F)=C1CCBr P41930 [0,2,0,0,0,0|1,0,0]=3 929 B11R1.605 N#CCC1=C(Br)C=CC=C1Br Q69184 [0,2,0,0,0,0|0,0,2]=4 930 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl P38923 [0,2,0,0,0,0|1,0,0]=3 931 B11R1.605 OCCC1=C(F)C=CC=C1F O27996 [0,2,0,0,0,0|1,0,0]=3 932 B11R1.23 C#CC(O)C1=CC=CC(Cl)=C1 P38984 [0,2,0,0,0,0|1,0,1]=4 933 B11R1.23 C#CC(O)C1=CC=CC(F)=C1 O31432 [0,2,0,0,0,0|1,0,1]=4 934 B11R1.23 CC1=CC(C(=O)CBr)=CC=C1 O28559 [0,2,0,0,0,0|1,0,1]=4 935 B11R1.23 CC1=CC(C(N)CO)=CC=C1 P42443 [0,2,0,0,0,0|1,0,0]=3 936 B11R1.23 CC1=CC(C(O)CN)=CC=C1 P37590 [0,2,0,0,0,0|0,0,0]=2 937 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 P42962 [0,2,0,0,0,0|1,0,0]=3 938 B11R1.23 CCC(N)C1=CC=CC(Cl)=C1 P38298 [0,2,0,0,0,0|1,0,0]=3 939 B11R1.23 CCC(O)C1=CC=CC(Cl)=C1 P38851 [0,2,0,0,0,0|1,0,0]=3 940 B11R1.23 NC(CO)C1=CC=CC(Br)=C1 P40234 [0,2,0,0,0,0|1,0,0]=3 941 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 P40407 [0,2,0,0,0,0|1,0,0]=3 942 B11R1.23 NC(CO)C1=CC=CC(F)=C1 P40409 [0,2,0,0,0,0|1,0,0]=3 943 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 P37041 [0,2,0,0,0,0|0,0,1]=3 944 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 P37749 [0,2,0,0,0,0|0,0,1]=3 945 B11R1.23 NCC(=O)C1=CC=CC(F)=C1 P35035 [0,2,0,0,0,0|0,0,1]=3 946 B11R1.23 NCC(=O)C1=CC=CC(O)=C1 P41173 [0,2,0,0,0,0|0,0,1]=3 947 B11R1.23 NCC(O)C1=CC=CC(Br)=C1 P38183 [0,2,0,0,0,0|0,0,0]=2 948 B11R1.23 NCC(O)C1=CC=CC(Cl)=C1 P37589 [0,2,0,0,0,0|0,0,0]=2 949 B11R1.23 NCC(O)C1=CC=CC(F)=C1 P38243 [0,2,0,0,0,0|0,0,0]=2 950 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 P51568 [0,2,0,0,0,0|0,0,0]=2 951 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 P39827 [0,2,0,0,0,0|1,0,0]=3 952 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 P35059 [0,2,0,0,0,0|1,0,0]=3 953 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 P42255 [0,2,0,0,0,0|1,0,0]=3 954 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 P39826 [0,2,0,0,0,0|1,0,0]=3 955 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=N1 Q53157 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 P36766 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 P38815 [0,2,0,0,0,0|1,0,0]=3 958 B11R1.24 BrCCCC1=CC(Br)=CC=C1 O28830 [0,2,0,0,0,0|1,0,0]=3 959 B11R1.24 C#CCOC1=CC=CC(C)=C1 P37380 [0,2,0,0,0,0|1,0,1]=4 960 B11R1.24 CC1=CC(CCCN)=CC=C1 P42846 [0,2,0,0,0,0|0,0,0]=2 961 B11R1.24 CC1=CC(CCCO)=CC=C1 P42630 [0,2,0,0,0,0|1,0,0]=3 962 B11R1.24 CC1=CC(OCCN)=CC=C1 P36838 [0,2,0,0,0,0|0,0,0]=2 963 B11R1.24 CC1=CC(OCCO)=CC=C1 P41522 [0,2,0,0,0,0|1,0,0]=3 964 B11R1.24 CC1=NC(NCCN)=CC=C1 Q62433 [0,2,0,0,0,0|1,0,0]=3 965 B11R1.24 CCCCC1=CC=CC(N)=N1 O30054 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 O34174 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.24 CCCOC1=CC(Br)=CC=C1 Q66928 [0,2,0,0,0,0|1,0,0]=3 968 B11R1.24 CCNCC1=CC(Br)=CN=C1 O32185 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.24 CCOCC1=CC(Br)=CN=C1 N26827 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.24 CNCCC1=CC=CC(Br)=C1 P36066 [0,2,0,0,0,0|0,0,0]=2 971 B11R1.24 CNCCC1=CC=CC(C)=C1 P41493 [0,2,0,0,0,0|0,0,0]=2 972 B11R1.24 CNCCC1=CC=CC(Cl)=C1 P37634 [0,2,0,0,0,0|0,0,0]=2 973 B11R1.24 CNCCC1=CC=CC(F)=C1 P37712 [0,2,0,0,0,0|0,0,0]=2 974 B11R1.24 COCOC1=CC(Br)=CC=C1 Q66574 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.24 COCOC1=CC(Cl)=CC=C1 Q66406 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.24 COCOC1=CC(F)=CC=C1 Q66728 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.24 ClC1=CC(CCCBr)=CC=C1 P35187 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.24 FC1=CC(CCCBr)=CC=C1 P40928 [0,2,0,0,0,0|1,0,0]=3 979 B11R1.24 N#CCOC1=CC=CC(Br)=C1 P34857 [0,2,0,0,0,0|0,0,2]=4 980 B11R1.24 N#CCOC1=CC=CC(F)=C1 P41549 [0,2,0,0,0,0|0,0,2]=4 981 B11R1.24 N#CCOC1=CC=CC(O)=C1 P42751 [0,2,0,0,0,0|0,0,2]=4 982 B11R1.24 NC1=CC(CCCO)=NC=C1 Q53463 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.24 NC1=CC=CC(OCCO)=C1 P37761 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.24 NCCCC1=CC(O)=CC=C1 P37377 [0,2,0,0,0,0|0,0,0]=2 985 B11R1.24 NCCCC1=CC=CC(Br)=C1 P40513 [0,2,0,0,0,0|0,0,0]=2 986 B11R1.24 NCCCC1=CC=CC(Cl)=C1 P40264 [0,2,0,0,0,0|0,0,0]=2 987 B11R1.24 NCCCC1=CC=CC(F)=C1 P42845 [0,2,0,0,0,0|0,0,0]=2 988 B11R1.24 NCCCC1=CC=CC(N)=C1 P38762 [0,2,0,0,0,0|0,0,0]=2 989 B11R1.24 NCCOC1=CC(O)=CC=C1 Q66030 [0,2,0,0,0,0|0,0,0]=2 990 B11R1.24 NCCOC1=CC=CC(Br)=C1 P35063 [0,2,0,0,0,0|0,0,0]=2 991 B11R1.24 NCCOC1=CC=CC(Cl)=C1 P36837 [0,2,0,0,0,0|0,0,0]=2 992 B11R1.24 NCCOC1=CC=CC(F)=C1 P42322 [0,2,0,0,0,0|0,0,0]=2 993 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 O30477 [0,2,0,0,0,0|1,0,1]=4 994 B11R1.24 OCC#CC1=CC=CC(F)=C1 O27862 [0,2,0,0,0,0|1,0,1]=4 995 B11R1.24 OCCCC1=CC=CC(Br)=C1 P36802 [0,2,0,0,0,0|1,0,0]=3 996 B11R1.24 OCCCC1=CC=CC(Cl)=C1 P39520 [0,2,0,0,0,0|1,0,0]=3 997 B11R1.24 OCCCC1=CC=CC(F)=C1 P40929 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.24 OCCCC1=CC=CC(O)=C1 P41291 [0,2,0,0,0,0|1,0,0]=3 999 B11R1.24 OCCOC1=CC=CC(Br)=C1 P36001 [0,2,0,0,0,0|1,0,0]=3 1000 B11R1.24 OCCOC1=CC=CC(Cl)=C1 P37049 [0,2,0,0,0,0|1,0,0]=3 1001 B11R1.24 OCCOC1=CC=CC(Cl)=N1 Q58465 [0,2,0,0,0,0|2,0,0]=4 1002 B11R1.24 OCCOC1=CC=CC(F)=C1 P41246 [0,2,0,0,0,0|1,0,0]=3 1003 B11R1.24 OCCOC1=CC=CC(I)=C1 P36653 [0,2,0,0,0,0|1,0,0]=3 1004 B11R1.34 CCNC1=CC(Cl)=CC(Cl)=C1 P38143 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.34 CCOC1=CC(Br)=CC(Br)=C1 Q67194 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.34 CCOC1=CC(Br)=CC(F)=C1 Q68063 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.34 CCOC1=CC(C)=CC(F)=C1 N27355 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.34 CCOC1=CC(F)=CC(F)=C1 Q67542 [0,2,0,0,0,0|2,0,0]=4 1009 B11R1.34 CCOC1=CC(O)=CC(Br)=C1 N26906 [0,2,0,0,0,0|2,0,0]=4 1010 B11R1.34 ClC1=CC(Cl)=CC(CCBr)=C1 P35013 [0,2,0,0,0,0|1,0,0]=3 1011 B11R1.34 FC1=CC(F)=CC(CCBr)=C1 P34811 [0,2,0,0,0,0|1,0,0]=3 1012 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 P36655 [0,2,0,0,0,0|0,0,0]=2 1013 B11R1.34 OCCC1=CC(Cl)=CC(Cl)=C1 O28071 [0,2,0,0,0,0|1,0,0]=3 1014 B11R1.34 OCCC1=CC(F)=CC(F)=C1 P37971 [0,2,0,0,0,0|1,0,0]=3 1015 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 P41926 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 P38903 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.157 CC(C)NC1=CC=CC(F)=C1 P42251 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.157 CC(C)OC1=CC(F)=CC=C1 Q66828 [0,2,0,0,0,0|2,0,0]=4 1019 B11R1.157 CC(C)OC1=CC=CC(O)=C1 N24861 [0,2,0,0,0,0|2,0,0]=4 1020 B11R1.157 CC1=CC(CB(O)O)=CC=C1 L20484 [0,2,0,0,0,0|2,0,0]=4 1021 B11R1.157 CC1=CC(NC(C)C)=CC=C1 P42983 [0,2,0,0,0,0|2,0,0]=4 1022 B11R1.157 CN(C)CC1=CC(N)=CC=C1 P39096 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 Q67698 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.157 FC1=CC(OC(F)F)=CC=C1 O31131 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.189 CCCC1=NC=CC(C#N)=C1 Q62488 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.189 CCNC1=CC=CC(OC)=C1 P38184 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.189 CNCC1=CC=CC(C#N)=C1 P35253 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.189 COC1=CC(CCBr)=CC=C1 P39742 [0,2,0,0,0,0|1,0,0]=3 1029 B11R1.189 COC1=CC(CON)=CC=C1 O31688 [0,2,0,0,0,0|1,0,0]=3 1030 B11R1.189 COC1=CC=CC(CCN)=N1 Q62431 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.189 COC1=CC=CC(CNN)=C1 C-3257 [0,2,0,0,0,0|1,0,0]=3 1032 B11R1.189 N#CC1=CC(CCO)=NC=C1 I-9684 [0,2,0,0,0,0|2,0,0]=4 1033 B11R1.189 N#CCC1=CC=CC(C#N)=C1 P40744 [0,2,0,0,0,0|0,0,2]=4 1034 B11R1.7 CC(C)(CN)C1=CC=CC=C1 P39760 [0,2,0,0,0,0|0,0,0]=2 1035 B11R1.7 CC(C)(CN)C1=NC=CC=N1 Q52438 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.7 CC(C)(CN)C1=NC=CC=N1 Q52439 [0,2,0,0,0,0|2,0,0]=4 1037 B11R1.7 CC(C)(CO)C1=NC=CC=C1 Q54944 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.7 CC(N)(CO)C1=CC=CC=C1 P35233 [0,2,0,0,0,0|1,0,0]=3 1039 B11R1.7 NCC(F)(F)C1=NC=CC=C1 L14284 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.7 OCC(F)(F)C1=NC=CC=C1 C-2830 [0,2,0,0,0,0|2,0,0]=4 1041 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 M15334 [0,2,0,0,0,0|0,0,1]=3 1042 B11R1.16 C=CCC(O)C1=NC=CC=C1 L20408 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.16 CC(CCN)C1=CC=CC=C1 P38414 [0,2,0,0,0,0|0,0,0]=2 1044 B11R1.16 CC(CCN)C1=CC=NC=C1 Q58360 [0,2,0,0,0,0|1,0,0]=3 1045 B11R1.16 CCCC(=O)C1=CC=CN=C1 P40625 [0,2,0,0,0,0|2,0,0]=4 1046 B11R1.16 CCCC(N)C1=CC=CC=C1 P39016 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.16 CCNC(C)C1=CC=NC=C1 Q58232 [0,2,0,0,0,0|2,0,0]=4 1048 B11R1.16 CCNC(C)C1=CC=NC=C1 Q58233 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.16 CNCC(C)C1=CC=CC=C1 P37180 [0,2,0,0,0,0|0,0,0]=2 1050 B11R1.16 CNCC(O)C1=CC=CN=C1 Q58187 [0,2,0,0,0,0|1,0,0]=3 1051 B11R1.16 CNCC(O)C1=NC=CC=C1 L20626 [0,2,0,0,0,0|1,0,0]=3 1052 B11R1.16 COCC(N)C1=CC=CC=C1 P40515 [0,2,0,0,0,0|1,0,0]=3 1053 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 P35167 [0,2,0,0,0,0|1,0,0]=3 1054 B11R1.16 COC[C@@H](N)C1=CC=CN=C1 P43472 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.16 COC[C@H](N)C1=CC=CC=C1 P36845 [0,2,0,0,0,0|1,0,0]=3 1056 B11R1.16 COC[C@H](N)C1=CC=CN=C1 P43473 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.16 NCCC(O)C1=CC=CC=C1 P37784 [0,2,0,0,0,0|0,0,0]=2 1058 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 P35908 [0,2,0,0,0,0|1,0,0]=3 1059 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 P40616 [0,2,0,0,0,0|1,0,0]=3 1060 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 Q62763 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [0,2,0,0,0,0|1,0,0]=3 1062 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [0,2,0,0,0,0|1,0,0]=3 1063 B11R1.36 CC(C)C(O)C1=CC=NC=C1 L20534 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,2,0,0,0,0|0,0,1]=3 1065 B11R1.28 BrCCCCC1=CC=CC=C1 P41514 [0,2,0,0,0,0|1,0,0]=3 1066 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [0,2,0,0,0,0|1,0,0]=3 1067 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [0,2,0,0,0,0|0,0,0]=2 1068 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [0,2,0,0,0,0|1,0,0]=3 1069 B11R1.28 ICCCCC1=CC=CC=C1 P36870 [0,2,0,0,0,0|1,0,0]=3 1070 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [0,2,0,0,0,0|1,0,0]=3 1071 B11R1.28 N#CCOCC1=CC=CC=C1 P41519 [0,2,0,0,0,0|0,0,1]=3 1072 B11R1.28 NCCCOC1=CC=CC=C1 P36207 [0,2,0,0,0,0|0,0,0]=2 1073 B11R1.28 NCCCSC1=CC=CC=N1 Q58262 [0,2,0,0,0,0|1,0,0]=3 1074 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [0,2,0,0,0,0|1,0,0]=3 1075 B11R1.28 OCCCCC1=CC=CN=C1 P37114 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.28 OCCCCC1=CC=NC=C1 P37629 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.28 OCCCCC1=NC=CC=C1 P40417 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [0,2,0,0,0,0|0,0,0]=2 1079 B11R1.40 CC(C#N)NC1=CC=CC=C1 M15456 [0,2,0,0,0,0|0,0,2]=4 1080 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [0,2,0,0,0,0|0,0,0]=2 1081 B11R1.40 CC(CN)SC1=CC=CC=N1 Q58359 [0,2,0,0,0,0|1,0,0]=3 1082 B11R1.40 CC(CN)SC1=NC=CC=N1 Q58739 [0,2,0,0,0,0|2,0,0]=4 1083 B11R1.40 CCC(Br)CC1=CC=NC=C1 Q58440 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [0,2,0,0,0,0|0,0,0]=2 1085 B11R1.40 CCC(O)CC1=CC=NC=C1 Q58397 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [0,2,0,0,0,0|0,0,0]=2 1087 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [0,2,0,0,0,0|0,0,1]=3 1088 B11R1.40 NNC(=O)CC1=CC=NC=C1 P36560 [0,2,0,0,0,0|1,0,1]=4 1089 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [0,2,0,0,0,0|1,0,1]=4 1091 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [0,2,0,0,0,0|0,0,1]=3 1092 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [0,2,0,0,0,0|0,0,0]=2 1093 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,2,0,0,0,0|0,0,1]=3 1094 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 Q66541 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.509 NS(=O)(=O)CC1=NC=CC=C1 Q52417 [0,2,0,0,0,0|2,0,0]=4 1099 B11R2.34 BrC1=CC=C(C2CC2)C=C1 O30566 [0,1,0,1,0,0|1,0,0]=3 1100 B11R2.34 BrC1=CC=C(C2CO2)C=C1 P38852 [0,1,0,1,0,0|1,0,0]=3 1101 B11R2.34 CC1=CC=C(C2CN2)C=C1 P36371 [0,1,0,1,0,0|0,0,0]=2 1102 B11R2.34 ClC1=CC=C(C2CN2)C=C1 P36104 [0,1,0,1,0,0|0,0,0]=2 1103 B11R2.34 ClC1=NC=C(C2CC2)C=C1 Q67831 [0,1,0,1,0,0|2,0,0]=4 1104 B11R2.34 FC1=CC=C(C2CO2)C=C1 P40301 [0,1,0,1,0,0|1,0,0]=3 1105 B11R2.34 FC1=NC=C(C2CC2)C=C1 N26245 [0,1,0,1,0,0|2,0,0]=4 1106 B11R2.34 NC1=CC=C(C2CC2)C=C1 P38877 [0,1,0,1,0,0|1,0,0]=3 1107 B11R2.34 NC1=CC=C(C2CC2)N=C1 P42501 [0,1,0,1,0,0|2,0,0]=4 1108 B11R2.34 OC1=CC=C(C2CC2)C=C1 P42947 [0,1,0,1,0,0|1,0,0]=3 1109 B11R2.36 BrC1=CC2=C(C=C1)CCN2 M15579 [0,1,0,1,0,0|0,0,0]=2 1110 B11R2.36 BrC1=CC2=C(C=C1)CNC2 O32275 [0,1,0,1,0,0|2,0,0]=4 1111 B11R2.36 BrC1=CC2=C(N=C1)NCC2 10616 [0,1,0,1,0,0|1,0,0]=3 1112 B11R2.36 BrC1=CC2=C(N=C1)NCC2 Q51813 [0,1,0,1,0,0|1,0,0]=3 1113 B11R2.36 BrC1=CC=C2C=CCC2=C1 10753 [0,1,0,1,0,0|1,0,1]=4 1114 B11R2.36 BrC1=CC=C2C=NNC2=C1 C-2007 [0,1,0,1,0,0|1,0,1]=4 1115 B11R2.36 BrC1=CC=C2CNCC2=C1 C-3625 [0,1,0,1,0,0|2,0,0]=4 1116 B11R2.36 BrC1=CC=C2NC=NC2=C1 A-847 [0,1,0,1,0,0|1,0,1]=4 1117 B11R2.36 BrC1=CC=C2NN=CC2=C1 C-2005 [0,1,0,1,0,0|1,0,1]=4 1118 B11R2.36 CC1=CC2=C(C=C1)C=NN2 L13557 [0,1,0,1,0,0|1,0,1]=4 1119 B11R2.36 CC1=CC2=C(C=C1)NCC2 O32270 [0,1,0,1,0,0|0,0,0]=2 1120 B11R2.36 CC1=CC2=C(C=C1)NN=C2 O34411 [0,1,0,1,0,0|1,0,1]=4 1121 B11R2.36 CC1=CC2=C(C=CN2)C=C1 P43296 [0,1,0,1,0,0|0,0,2]=4 1122 B11R2.36 ClC1=CC2=C(C=C1)C=NN2 C-2037 [0,1,0,1,0,0|1,0,1]=4 1123 B11R2.36 ClC1=CC2=C(C=C1)CCN2 M15570 [0,1,0,1,0,0|0,0,0]=2 1124 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 I-9317 [0,1,0,1,0,0|0,0,2]=4 1125 B11R2.36 ClC1=CC=C2NN=CC2=C1 C-2056 [0,1,0,1,0,0|1,0,1]=4 1126 B11R2.36 ClC1=CC=C2OCCC2=C1 M15833 [0,1,0,1,0,0|1,0,0]=3 1127 B11R2.36 FC1=CC2=C(C=C1)CCN2 D-2527 [0,1,0,1,0,0|0,0,0]=2 1128 B11R2.36 FC1=CC2=C(C=C1)CNC2 L13810 [0,1,0,1,0,0|2,0,0]=4 1129 B11R2.36 FC1=CC2=C(C=CN2)C=C1 C-3360 [0,1,0,1,0,0|0,0,2]=4 1130 B11R2.36 FC1=CC=C2C=NNC2=C1 C-2106 [0,1,0,1,0,0|1,0,1]=4 1131 B11R2.36 FC1=CC=C2NN=CC2=C1 C-2101 [0,1,0,1,0,0|1,0,1]=4 1132 B11R2.36 FC1=CC=C2OCCC2=C1 Q65592 [0,1,0,1,0,0|1,0,0]=3 1133 B11R2.36 IC1=CC2=C(C=C1)CCN2 O31769 [0,1,0,1,0,0|0,0,0]=2 1134 B11R2.36 IC1=CC2=C(C=C1)CNC2 H-8930 [0,1,0,1,0,0|2,0,0]=4 1135 B11R2.36 IC1=CC2=C(C=C1)CNC2 M15878 [0,1,0,1,0,0|2,0,0]=4 1136 B11R2.36 IC1=CC2=C(C=C1)NC=C2 Q55309 [0,1,0,1,0,0|0,0,2]=4 1137 B11R2.36 IC1=CC=C2C=CNC2=C1 L14002 [0,1,0,1,0,0|0,0,2]=4 1138 B11R2.36 IC1=CC=C2C=NNC2=C1 C-2108 [0,1,0,1,0,0|1,0,1]=4 1139 B11R2.36 IC1=CC=C2NN=CC2=C1 C-2103 [0,1,0,1,0,0|1,0,1]=4 1140 B11R2.36 NC1=CC2=C(C=C1)C=NN2 C-2138 [0,1,0,1,0,0|1,0,1]=4 1141 B11R2.36 NC1=CC2=C(C=C1)CCN2 P40883 [0,1,0,1,0,0|0,0,0]=2 1142 B11R2.36 NC1=CC2=C(C=C1)NN=C2 C-2139 [0,1,0,1,0,0|1,0,1]=4 1143 B11R2.36 NC1=CC2=C(C=CN2)C=C1 Q55305 [0,1,0,1,0,0|0,0,2]=4 1144 B11R2.36 NC1=CC=C2OCCC2=C1 M15806 [0,1,0,1,0,0|1,0,0]=3 1145 B11R2.36 NC1=NC=C2CCNC2=N1 S72520 [0,1,0,1,0,0|2,0,0]=4 1146 B11R2.36 OC1=CC2=C(C=C1)CNC2 Q57110 [0,1,0,1,0,0|2,0,0]=4 1147 B11R2.36 OC1=CC2=C(C=C1)N=CN2 F-4234 [0,1,0,1,0,0|1,0,1]=4 1148 B11R2.36 OC1=CC2=C(C=C1)NC=C2 P46527 [0,1,0,1,0,0|0,0,2]=4 1149 B11R2.36 OC1=CC2=C(C=C1)NCC2 O32235 [0,1,0,1,0,0|0,0,0]=2 1150 B11R2.36 OC1=CC2=C(C=C1)OCC2 N25202 [0,1,0,1,0,0|1,0,0]=3 1151 B11R2.36 OC1=CC=C2C=NNC2=C1 C-2424 [0,1,0,1,0,0|1,0,1]=4 1152 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 L14886 [0,1,0,1,0,0|0,0,0]=2 1153 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 I-9534 [0,1,0,1,0,0|0,0,0]=2 1154 B11R2.10 ClC1=CC2=CC=CC=C2N1 D-2538 [0,1,0,1,0,0|0,0,2]=4 1155 B11R2.10 NC1=CC2=C(C=CC=C2)N1 O29924 [0,1,0,1,0,0|0,0,2]=4 1156 B11R2.10 NC1=NC2=CC=CC=C2S1 O30669 [0,1,0,1,0,0|1,0,1]=4 1157 B11R2.10 O=C1CC2=C(C=NC=C2)N1 L14128 [0,1,0,1,0,0|1,0,1]=4 1158 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476 [0,1,0,1,0,0|1,0,1]=4 1159 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476-01 [0,1,0,1,0,0|1,0,1]=4 1160 B11R2.10 O=C1CC2=CC=NC=C2N1 C-2345 [0,1,0,1,0,0|1,0,1]=4 1161 B11R2.10 O=C1CC2=CN=CC=C2N1 C-3239 [0,1,0,1,0,0|1,0,1]=4 1162 B11R2.10 O=C1CC2=NC=CC=C2N1 C-2343 [0,1,0,1,0,0|1,0,1]=4 1163 B11R2.20 C1=CC2=C(C=C1)OCCC2 P37892 [0,1,0,1,0,0|1,0,0]=3 1164 B11R2.20 C1=CC2=C(C=N1)NCCN2 O29590 [0,1,0,1,0,0|1,0,0]=3 1165 B11R2.20 C1=CC2=C(CNCC2)N=C1 G-7019 [0,1,0,1,0,0|1,0,0]=3 1166 B11R2.20 C1=CC=C2OCCNC2=C1 P37325 [0,1,0,1,0,0|0,0,0]=2 1167 B11R2.20 C1=CN=C2CCNCC2=C1 I-9982 [0,1,0,1,0,0|1,0,0]=3 1168 B11R2.20 C1=NC=C2CCCNC2=C1 P48608 [0,1,0,1,0,0|1,0,0]=3 1169 B11R2.20 C1=NC=C2CCNCC2=C1 P44511 [0,1,0,1,0,0|1,0,0]=3 1170 B11R2.20 C1=NC=C2CNCCC2=N1 C-2931 [0,1,0,1,0,0|2,0,0]=4 1171 B11R2.20 C1=NC=C2CNCCC2=N1 P51455 [0,1,0,1,0,0|2,0,0]=4 1172 B11R2.20 C1=NC=NC2=C1CCNC2 G-6095 [0,1,0,1,0,0|2,0,0]=4 1173 B11R2.20 C1=NC=NC2=C1CNCC2 I-9971 [0,1,0,1,0,0|2,0,0]=4 1174 B11R2.20 C1=NC=NC2=C1CNCC2 L20044 [0,1,0,1,0,0|2,0,0]=4 1175 B11R2.55 BrC1=CC=CC=C1C2CO2 P36453 [0,1,0,1,0,0|1,0,0]=3 1176 B11R2.55 CC1=C(C2CC2)C=NC=C1 N26487 [0,1,0,1,0,0|2,0,0]=4 1177 B11R2.55 CC1=NC=CC=C1C2CC2 N26392 [0,1,0,1,0,0|2,0,0]=4 1178 B11R2.55 ClC1=CC=CC=C1C2CO2 P36976 [0,1,0,1,0,0|1,0,0]=3 1179 B11R2.55 ClC1=CC=CN=C1C2CC2 N25876 [0,1,0,1,0,0|2,0,0]=4 1180 B11R2.55 FC1=CC=CC=C1C2CO2 Q66192 [0,1,0,1,0,0|1,0,0]=3 1181 B11R2.55 FC1=NC=CC=C1C2CC2 N26254 [0,1,0,1,0,0|2,0,0]=4 1182 B11R2.55 NC1=CC=CC=C1C2CC2 N24777 [0,1,0,1,0,0|1,0,0]=3 1183 B11R2.55 NC1=CC=CC=C1C2CC2 P51441 [0,1,0,1,0,0|1,0,0]=3 1184 B11R2.106 BrC1=C2C=CNC2=CC=C1 C-3748 [0,1,0,1,0,0|0,0,2]=4 1185 B11R2.106 BrC1=C2C=NNC2=CC=C1 C-2006 [0,1,0,1,0,0|1,0,1]=4 1186 B11R2.106 BrC1=C2CCNC2=CN=C1 P47773 [0,1,0,1,0,0|1,0,0]=3 1187 B11R2.106 BrC1=C2CNCC2=CC=C1 L18234 [0,1,0,1,0,0|2,0,0]=4 1188 B11R2.106 BrC1=C2N=CNC2=CC=C1 A-617 [0,1,0,1,0,0|1,0,1]=4 1189 B11R2.106 BrC1=C2NN=CC2=CC=C1 C-2070 [0,1,0,1,0,0|1,0,1]=4 1190 B11R2.106 BrC1=C2OCCC2=CC=C1 M15789 [0,1,0,1,0,0|1,0,0]=3 1191 B11R2.106 BrC1=C2OCOC2=CC=C1 O31623 [0,1,0,1,0,0|2,0,0]=4 1192 B11R2.106 BrC1=CC=CC2=C1CCC2 G-5799 [0,1,0,1,0,0|1,0,0]=3 1193 B11R2.106 BrC1=CC=CC2=C1CCN2 O30708 [0,1,0,1,0,0|0,0,0]=2 1194 B11R2.106 BrC1=CC=CC2=C1CCN2 O34479 [0,1,0,1,0,0|0,0,0]=2 1195 B11R2.106 BrC1=CC=CC2=C1CNC2 P51178 [0,1,0,1,0,0|2,0,0]=4 1196 B11R2.106 BrC1=CC=CC2=C1NCC2 O30394 [0,1,0,1,0,0|0,0,0]=2 1197 B11R2.106 BrC1=CC=NC2=C1CCN2 L22021 [0,1,0,1,0,0|1,0,0]=3 1198 B11R2.106 BrC1=CN=CC2=C1NCC2 F-4133 [0,1,0,1,0,0|1,0,0]=3 1199 B11R2.106 CC1=C2N=CNC2=CC=C1 O34434 [0,1,0,1,0,0|1,0,1]=4 1200 B11R2.106 CC1=CC=CC2=C1C=CN2 G-7009 [0,1,0,1,0,0|0,0,2]=4 1201 B11R2.106 CC1=CC=CC2=C1C=NN2 O34435 [0,1,0,1,0,0|1,0,1]=4 1202 B11R2.106 CC1=CC=CC2=C1CNC2 O31189 [0,1,0,1,0,0|2,0,0]=4 1203 B11R2.106 CC1=CC=CC2=C1NC=C2 I-9272 [0,1,0,1,0,0|0,0,2]=4 1204 B11R2.106 CC1=CC=CC2=C1NN=C2 O34439 [0,1,0,1,0,0|1,0,1]=4 1205 B11R2.106 ClC1=C2C=NNC2=CC=C1 C-2057 [0,1,0,1,0,0|1,0,1]=4 1206 B11R2.106 ClC1=C2CCNC2=CC=C1 H-8553 [0,1,0,1,0,0|0,0,0]=2 1207 B11R2.106 ClC1=C2NN=CC2=CC=C1 C-2058 [0,1,0,1,0,0|1,0,1]=4 1208 B11R2.106 ClC1=CC=CC2=C1CNC2 O32221 [0,1,0,1,0,0|2,0,0]=4 1209 B11R2.106 ClC1=CC=CC2=C1NC=C2 Q55310 [0,1,0,1,0,0|0,0,2]=4 1210 B11R2.106 ClC1=CC=NC2=C1CCN2 L21403 [0,1,0,1,0,0|1,0,0]=3 1211 B11R2.106 ClC1=NC=CC2=C1CCN2 G-7951 [0,1,0,1,0,0|1,0,0]=3 1212 B11R2.106 ClC1=NC=CC2=C1CCN2 O32411 [0,1,0,1,0,0|1,0,0]=3 1213 B11R2.106 ClC1=NC=CC2=C1NCC2 O33103 [0,1,0,1,0,0|1,0,0]=3 1214 B11R2.106 FC1=C2NC=CC2=CC=C1 C-3602 [0,1,0,1,0,0|0,0,2]=4 1215 B11R2.106 FC1=CC=CC2=C1C=CN2 C-3359 [0,1,0,1,0,0|0,0,2]=4 1216 B11R2.106 FC1=CC=CC2=C1C=NN2 G-6585 [0,1,0,1,0,0|1,0,1]=4 1217 B11R2.106 FC1=CC=CC2=C1CCN2 O30386 [0,1,0,1,0,0|0,0,0]=2 1218 B11R2.106 FC1=CC=CC2=C1CCN2 P43501 [0,1,0,1,0,0|0,0,0]=2 1219 B11R2.106 FC1=CC=CC2=C1NN=C2 Q55643 [0,1,0,1,0,0|1,0,1]=4 1220 B11R2.106 FC1=CC=NC2=C1CCO2 L22189 [0,1,0,1,0,0|2,0,0]=4 1221 B11R2.106 IC1=C2C=NNC2=CC=C1 C-2033 [0,1,0,1,0,0|1,0,1]=4 1222 B11R2.106 IC1=C2NN=CC2=CC=C1 10155 [0,1,0,1,0,0|1,0,1]=4 1223 B11R2.106 IC1=CC=CC2=C1C=CN2 O34024 [0,1,0,1,0,0|0,0,2]=4 1224 B11R2.106 IC1=CC=CC2=C1CCN2 O30821 [0,1,0,1,0,0|0,0,0]=2 1225 B11R2.106 IC1=CC=NC2=C1CCO2 L14765 [0,1,0,1,0,0|2,0,0]=4 1226 B11R2.106 NC1=C2C=NNC2=CC=C1 C-2047 [0,1,0,1,0,0|1,0,1]=4 1227 B11R2.106 NC1=C2CCOC2=CC=C1 M15821 [0,1,0,1,0,0|1,0,0]=3 1228 B11R2.106 NC1=C2COCC2=CC=C1 S72502 [0,1,0,1,0,0|2,0,0]=4 1229 B11R2.106 NC1=C2OCCC2=CC=C1 M15777 [0,1,0,1,0,0|1,0,0]=3 1230 B11R2.106 NC1=CC=CC2=C1NC=C2 O31787 [0,1,0,1,0,0|0,0,2]=4 1231 B11R2.106 NC1=CC=CC2=C1NN=C2 C-2137 [0,1,0,1,0,0|1,0,1]=4 1232 B11R2.106 OC1=C2CCOC2=CC=C1 M15862 [0,1,0,1,0,0|1,0,0]=3 1233 B11R2.106 OC1=CC=CC2=C1C=NN2 G-5561 [0,1,0,1,0,0|1,0,1]=4 1234 B11R2.106 OC1=CC=CC2=C1NC=C2 O30805 [0,1,0,1,0,0|0,0,2]=4 1235 B11R2.106 OC1=CC=CC2=C1NN=C2 O30543 [0,1,0,1,0,0|1,0,1]=4 1236 B11R2.35 BrC1=CC(C2CO2)=CC=C1 P39092 [0,1,0,1,0,0|1,0,0]=3 1237 B11R2.35 BrC1=CC=CC(C2CC2)=C1 O31879 [0,1,0,1,0,0|1,0,0]=3 1238 B11R2.35 BrC1=CN=CC(C2CC2)=C1 N25476 [0,1,0,1,0,0|2,0,0]=4 1239 B11R2.35 ClC1=CC(C2CC2)=CC=N1 I-9975 [0,1,0,1,0,0|2,0,0]=4 1240 B11R2.35 ClC1=CC(C2CO2)=CC=C1 P39883 [0,1,0,1,0,0|1,0,0]=3 1241 B11R2.35 FC1=CC(C2CO2)=CC=C1 P40300 [0,1,0,1,0,0|1,0,0]=3 1242 B11R2.35 FC1=CN=CC(C2CC2)=C1 N27151 [0,1,0,1,0,0|2,0,0]=4 1243 B11R2.35 NC1=CC(C2CC2)=NC=C1 M23384 [0,1,0,1,0,0|2,0,0]=4 1244 B11R2.35 OC1=CC=CC(C2CC2)=C1 O30101 [0,1,0,1,0,0|1,0,0]=3 1245 B11R2.1 BrC1=NNC2=CC=CC=C21 C-2069 [0,1,0,1,0,0|1,0,1]=4 1246 B11R2.1 CC1=CNC2=C1C=CC=C2 I-9262 [0,1,0,1,0,0|0,0,2]=4 1247 B11R2.1 CC1=NNC2=C1C=CC=C2 C-2144 [0,1,0,1,0,0|1,0,1]=4 1248 B11R2.1 ClC1=CNC2=C1C=CC=C2 L14683 [0,1,0,1,0,0|0,0,2]=4 1249 B11R2.1 IC1=NNC2=C1C=CC=C2 Q67919 [0,1,0,1,0,0|1,0,1]=4 1250 B11R2.1 NC1=CNC2=C1C=CC=C2 O32345 [0,1,0,1,0,0|0,0,2]=4 1251 B11R2.1 NC1=CNC2=C1C=CC=C2 O32346 [0,1,0,1,0,0|0,0,2]=4 1252 B11R2.1 NC1=CSC2=CC=CC=C12 O29978 [0,1,0,1,0,0|0,0,2]=4 1253 B11R2.1 NC1=NNC2=C1C=CC=C2 P35582 [0,1,0,1,0,0|1,0,1]=4 1254 B11R2.1 O=C1CCC2=C1C=CN=C2 L22316 [0,1,0,1,0,0|2,0,0]=4 1255 B11R2.1 O=C1CCC2=NC=CC=C12 G-6870 [0,1,0,1,0,0|2,0,0]=4 1256 B11R2.1 O=C1NCC2=C1C=CC=C2 I-9101 [0,1,0,1,0,0|1,0,1]=4 1257 B11R2.1 O=C1SNC2=CC=CC=C12 L18705 [0,1,0,1,0,0|1,0,1]=4 1258 B11R2.1 OC1=CNC2=CC=CC=C12 Q52523 [0,1,0,1,0,0|0,0,2]=4 1259 B11R2.1 OC1CCC2=C1C=CN=C2 S72817 [0,1,0,1,0,0|2,0,0]=4 1260 B11R2.4 NC1CC1C2=CC=CC=C2 Q54793 [0,1,0,1,0,0|0,0,0]=2 1261 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 L14213 [0,1,0,1,0,0|0,0,0]=2 1262 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 L22363 [0,1,0,1,0,0|0,0,0]=2 1263 B11R2.40 NC1(C2=CC=CC=C2)CC1 P38187 [0,1,0,1,0,0|1,0,0]=3 1264 B11R2.40 NC1(C2=CC=CN=C2)CC1 P37810 [0,1,0,1,0,0|2,0,0]=4 1265 B11R2.40 NC1(C2=CC=NC=C2)CC1 G-7840 [0,1,0,1,0,0|2,0,0]=4 1266 B11R2.40 NC1(C2=CC=NC=C2)CC1 Q66089 [0,1,0,1,0,0|2,0,0]=4 1267 B11R2.40 NC1(C2=NC=CC=C2)CC1 P37811 [0,1,0,1,0,0|2,0,0]=4 1268 B11R2.239 C1=CC=C(C2CCN2)C=C1 O28163 [0,1,0,1,0,0|0,0,0]=2 1269 B11R2.239 C1=CC=C(C2CNC2)C=C1 10749 [0,1,0,1,0,0|0,0,0]=2 1270 B11R2.239 C1=CC=C(C2CNC2)C=C1 M22666 [0,1,0,1,0,0|0,0,0]=2 1271 B11R2.239 C1=CN=C(C2CNC2)C=C1 P46398 [0,1,0,1,0,0|1,0,0]=3 1272 B11R2.238 C1=CC(CC2CO2)=CC=N1 Q53152 [0,1,0,1,0,0|2,0,0]=4 1273 B11R2.238 C1=CC=C(NC2CC2)C=C1 M22854 [0,1,0,1,0,0|1,0,0]=3 1274 B7R1.1 BrCC1=COC=C1 O29970 [1,0,0,0,1,0|2,0,0]=4 1275 B7R1.1 BrCC1=CSC=C1 Q68601 [1,0,0,0,1,0|2,0,0]=4 1276 B7R1.1 CSC1=CC=CS1 Q67758 [1,0,0,0,1,0|2,0,0]=4 1277 B7R1.1 ClCC1=CC=CS1 G-5616 [1,0,0,0,1,0|2,0,0]=4 1278 B7R1.1 NCC1=CC=NN1 O30495 [1,0,0,0,1,0|2,0,0]=4 1279 B7R1.1 NCC1=CN=CN1 L14627 [1,0,0,0,1,0|2,0,0]=4 1280 B7R1.1 NCC1=CN=CO1 L14202 [1,0,0,0,1,0|2,0,0]=4 1281 B7R1.1 NCC1=CN=CS1 G-7859 [1,0,0,0,1,0|2,0,0]=4 1282 B7R1.1 NCC1=CN=CS1 L18064 [1,0,0,0,1,0|2,0,0]=4 1283 B7R1.1 NCC1=CN=CS1 O30515 [1,0,0,0,1,0|2,0,0]=4 1284 B7R1.1 NCC1=CNC=N1 O30218 [1,0,0,0,1,0|2,0,0]=4 1285 B7R1.1 NCC1=CNN=C1 G-6808 [1,0,0,0,1,0|2,0,0]=4 1286 B7R1.1 NCC1=CNN=C1 L13681 [1,0,0,0,1,0|2,0,0]=4 1287 B7R1.1 NCC1=CNN=C1 Q51915 [1,0,0,0,1,0|2,0,0]=4 1288 B7R1.1 NCC1=COC=C1 O34052 [1,0,0,0,1,0|1,0,0]=3 1289 B7R1.1 NCC1=COC=N1 G-6098 [1,0,0,0,1,0|2,0,0]=4 1290 B7R1.1 NCC1=COC=N1 G-6099 [1,0,0,0,1,0|2,0,0]=4 1291 B7R1.1 NCC1=CON=C1 L14503 [1,0,0,0,1,0|2,0,0]=4 1292 B7R1.1 NCC1=CSC=N1 L14160 [1,0,0,0,1,0|2,0,0]=4 1293 B7R1.1 NCC1=NC=CS1 G-7857 [1,0,0,0,1,0|2,0,0]=4 1294 B7R1.1 NCC1=NC=CS1 G-7858 [1,0,0,0,1,0|2,0,0]=4 1295 B7R1.1 NCC1=NOC=C1 G-6132 [1,0,0,0,1,0|2,0,0]=4 1296 B7R1.1 NCC1=NOC=C1 L14199 [1,0,0,0,1,0|2,0,0]=4