0 B10R1.15 C#CC(=O)C1=CC=CC=C1 P38531 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CCC(N)C1=NC=CN=C1 L13036 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 N#CC(N)C1=CC=NC=C1 F-4703 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 NC(CO)C1=CC=NC=C1 Q53510 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.15 NCC(O)C1=CC=CN=C1 O32747 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 NCC(O)C1=CC=CN=C1 P43089 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 NCC(O)C1=CC=NC=C1 P35258 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 NCC(O)C1=NC=CC=C1 P35259 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.15 O=C(CBr)C1=CC=CC=N1 Q58258 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 O=C(CBr)C1=CC=CN=C1 Q55443 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 O=C(CCl)C1=CC=CN=C1 O29841 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 OC(CCl)C1=CC=CN=C1 O32660 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.6 CC(N)C1=CC=NC=N1 Q51822 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 CC(N)C1=CC=NN=C1 G-7533 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 CC(N)C1=CC=NN=C1 L13924 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 CC(N)C1=CN=CN=C1 G-5168 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 CC(N)C1=CN=CN=C1 Q51812 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.6 CC(N)C1=NC=CC=N1 Q55479 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.6 CC(O)C1=CN=CN=C1 Q55478 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 C[C@@H](N)C1=CN=CN=C1 I-9747 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 C[C@@H](N)C1=NC=CC=N1 Q57196 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 C[C@H](N)C1=CN=CN=C1 Q51933 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q57195 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q65669 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 CNCC1=CC=CN=C1 P35002 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNCC1=CC=NC=C1 P36555 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 CNCC1=NC=CC=C1 P39822 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 N#CCC1=CC=NC=C1 P41732 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.8 NCCC1=CC=NC=N1 L14509 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 NCCC1=NC=CC=N1 L14904 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.8 NCCC1=NC=CC=N1 Q55474 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 NCCC1=NC=NC=C1 Q56454 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.8 NNCC1=CC=CC=C1 P43525 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 NNCC1=CC=CN=C1 O31533 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 NNCC1=CC=NC=C1 C-3253 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 NNCC1=CC=NC=C1 L13556 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 NNCC1=CC=NC=C1 O32212 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 NNCC1=CN=CC=C1 C-3254 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 NNCC1=CN=CN=C1 C-3759 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.8 NNCC1=NC=CC=C1 C-3255 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 NNCC1=NC=CC=C1 O31423 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 NNCC1=NC=CC=N1 C-2760 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 NNCC1=NC=CN=C1 G-5311 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 OCCC1=CC=CN=C1 O28068 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 OCCC1=CC=NC=C1 P37585 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 OCCC1=CC=NC=N1 Q56821 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 OCCC1=NC=CC=N1 Q56820 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 O32008 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.7 CC(C)(CN)C1=CC=CC=C1 P39760 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.7 CC(C)(CN)C1=NC=CC=N1 Q52438 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.7 CC(C)(CN)C1=NC=CC=N1 Q52439 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.7 CC(C)(CO)C1=NC=CC=C1 Q54944 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.7 CC(N)(CO)C1=CC=CC=C1 P35233 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.7 NCC(F)(F)C1=NC=CC=C1 L14284 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.7 OCC(F)(F)C1=NC=CC=C1 C-2830 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.12 CCB(CC)C1=CC=NC=C1 P51207 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 M15334 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.16 C=CCC(O)C1=NC=CC=C1 L20408 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.16 CC(CCN)C1=CC=CC=C1 P38414 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.16 CC(CCN)C1=CC=NC=C1 Q58360 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.16 CCCC(N)C1=CC=CC=C1 P39016 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.16 CCNC(C)C1=CC=NC=C1 Q58232 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.16 CCNC(C)C1=CC=NC=C1 Q58233 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 CNCC(C)C1=CC=CC=C1 P37180 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.16 CNCC(O)C1=CC=CN=C1 Q58187 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.16 CNCC(O)C1=NC=CC=C1 L20626 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.16 COCC(N)C1=CC=CC=C1 P40515 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 P35167 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.16 COC[C@@H](N)C1=CC=CN=C1 P43472 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.16 COC[C@H](N)C1=CC=CC=C1 P36845 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.16 COC[C@H](N)C1=CC=CN=C1 P43473 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.16 NCCC(O)C1=CC=CC=C1 P37784 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 P35908 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 P40616 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 Q62763 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.22 C#CC(O)C1=CC=C(Cl)C=C1 P38985 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 P38144 [0,1,0,0,0,0|0,0,2]=3 100 B11R1.22 CC(C#N)C1=CC=C(F)C=C1 P37672 [0,1,0,0,0,0|0,0,2]=3 101 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 P39316 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.22 CC(CN)C1=CC=C(F)C=C1 P38013 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.22 CC(NN)C1=CC=C(Br)C=C1 L20939 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 L20940 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.22 CC1=CC=C(C(O)CN)C=C1 P37591 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 P36287 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 P36295 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.22 CCC(N)C1=CC=C(F)C=C1 P36286 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.22 CCC(O)C1=CC=C(Cl)C=C1 P41437 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.22 CCN(C)C1=CC=C(N)C=C1 P39418 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 P39994 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 P40406 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.22 NC(CO)C1=CC=C(F)C=C1 P41377 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 P40081 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 P38182 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 P38165 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.22 NCC(O)C1=CC=C(F)C=C1 P38012 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 P38585 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 P42773 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 P40509 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 P43288 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 P40187 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 P39567 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 O31201 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.23 C#CC(O)C1=CC=CC(Cl)=C1 P38984 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.23 C#CC(O)C1=CC=CC(F)=C1 O31432 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.23 CC1=CC(C(=O)CBr)=CC=C1 O28559 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.23 CC1=CC(C(N)CO)=CC=C1 P42443 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.23 CC1=CC(C(O)CN)=CC=C1 P37590 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 P42962 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.23 CCC(N)C1=CC=CC(Cl)=C1 P38298 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.23 CCC(O)C1=CC=CC(Cl)=C1 P38851 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.23 NC(CO)C1=CC=CC(Br)=C1 P40234 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 P40407 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.23 NC(CO)C1=CC=CC(F)=C1 P40409 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 P37041 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 P37749 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.23 NCC(=O)C1=CC=CC(F)=C1 P35035 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.23 NCC(=O)C1=CC=CC(O)=C1 P41173 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.23 NCC(O)C1=CC=CC(Br)=C1 P38183 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.23 NCC(O)C1=CC=CC(Cl)=C1 P37589 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.23 NCC(O)C1=CC=CC(F)=C1 P38243 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 P51568 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 P39827 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 P35059 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 P42255 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 P39826 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=N1 Q53157 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 P36766 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 P38815 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.36 CC(C(=O)O)C1=CC=CN=C1 O29526 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.36 CC(C(=O)O)C1=NC=CC=C1 O29926 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.36 CC(C)C(O)C1=CC=NC=C1 L20534 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.222 C#CC(O)C1=CC=CC=C1Cl P40184 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.222 CC1=CC=CC=C1C(=O)CBr O28087 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.222 CC1=CC=CC=C1C(N)CO P42682 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.222 CC1=CC=CC=C1C(O)CN P41633 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.222 CCC(N)C1=CC=CC=C1C P37948 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.222 CCC(N)C1=CC=CC=C1Cl Q66027 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.222 NC(CO)C1=CC=CC=C1Br P42427 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.222 NC(CO)C1=CC=CC=C1Cl P41841 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.222 NC(CO)C1=CC=CC=C1F P40408 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.222 NCC(=O)C1=CC=CC=C1Br P35565 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.222 NCC(=O)C1=CC=CC=C1Cl P40753 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.222 NCC(=O)C1=CC=CC=C1O P37785 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.222 NCC(O)C1=CC=CC=C1Br P36482 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.222 NCC(O)C1=CC=CC=C1Cl P39491 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.222 NCC(O)C1=CC=CC=C1F P38828 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.222 N[C@@H](CO)C1=CC=CC=C1Cl P42273 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.222 N[C@H](CO)C1=CC=CC=C1Cl P39761 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.222 O=C(CBr)C1=CC=CC=C1Br P37875 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.222 O=C(CF)C1=CC=CC=C1F P51651 [0,1,0,0,0,0|2,0,1]=4 180 B11R2.1 BrC1=NNC2=CC=CC=C21 C-2069 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.1 CC1=CNC2=C1C=CC=C2 I-9262 [0,0,0,1,0,0|0,0,2]=3 182 B11R2.1 CC1=CNC2=C1C=CN=C2 P44359 [0,0,0,1,0,0|1,0,2]=4 183 B11R2.1 CC1=CNC2=C1C=NC=C2 L21593 [0,0,0,1,0,0|1,0,2]=4 184 B11R2.1 CC1=CNC2=CC=CN=C12 O30970 [0,0,0,1,0,0|1,0,2]=4 185 B11R2.1 CC1=CNC2=NC=CC=C12 G-5971 [0,0,0,1,0,0|1,0,2]=4 186 B11R2.1 CC1=NNC2=C1C=CC=C2 C-2144 [0,0,0,1,0,0|1,0,1]=3 187 B11R2.1 CC1=NNC2=C1C=NC=C2 L13764 [0,0,0,1,0,0|2,0,1]=4 188 B11R2.1 CC1=NNC2=CC=CN=C21 C-3453 [0,0,0,1,0,0|2,0,1]=4 189 B11R2.1 CC1=NNC2=CN=CC=C21 P44265 [0,0,0,1,0,0|2,0,1]=4 190 B11R2.1 CC1=NNC2=NC=CC=C12 C-3338 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.1 CC1=NOC2=CC=CC=C21 O30125 [0,0,0,1,0,0|2,0,1]=4 192 B11R2.1 ClC1=CNC2=C1C=CC=C2 L14683 [0,0,0,1,0,0|1,0,2]=4 193 B11R2.1 IC1=NNC2=C1C=CC=C2 Q67919 [0,0,0,1,0,0|2,0,1]=4 194 B11R2.1 NC1=CNC2=C1C=CC=C2 O32345 [0,0,0,1,0,0|1,0,2]=4 195 B11R2.1 NC1=CNC2=C1C=CC=C2 O32346 [0,0,0,1,0,0|1,0,2]=4 196 B11R2.1 NC1=NNC2=C1C=CC=C2 P35582 [0,0,0,1,0,0|2,0,1]=4 197 B11R2.1 O=C1SNC2=CC=CC=C12 L18705 [0,0,0,1,0,0|2,0,1]=4 198 B11R2.1 OC1=CNC2=CC=CC=C12 Q52523 [0,0,0,1,0,0|1,0,2]=4 199 B11R2.1 OC1CCC2=C1C=CN=C2 S72817 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.4 NC1CC1C2=CC=CC=C2 Q54793 [0,0,0,1,0,0|0,0,0]=1 201 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 L14213 [0,0,0,1,0,0|0,0,0]=1 202 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 L22363 [0,0,0,1,0,0|0,0,0]=1 203 B11R2.40 NC1(C2=CC=CC=C2)CC1 P38187 [0,0,0,1,0,0|2,0,0]=3 204 B11R2.40 NC1(C2=CC=CN=C2)CC1 P37810 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.40 NC1(C2=CC=NC=C2)CC1 G-7840 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.40 NC1(C2=CC=NC=C2)CC1 Q66089 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.40 NC1(C2=NC=CC=C2)CC1 P37811 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.239 C1=CC=C(C2CCN2)C=C1 O28163 [0,0,0,1,0,0|2,0,0]=3 209 B11R2.239 C1=CC=C(C2CNC2)C=C1 10749 [0,0,0,1,0,0|0,0,0]=1 210 B11R2.239 C1=CC=C(C2CNC2)C=C1 M22666 [0,0,0,1,0,0|0,0,0]=1 211 B11R2.239 C1=CN=C(C2CNC2)C=C1 P46398 [0,0,0,1,0,0|1,0,0]=2 212 B9R1.11 NC(CO)C1=CC=CO1 P39130 [0,0,0,0,1,0|3,0,0]=4 213 B9R1.11 NC(CO)C1=CSC=C1 P42431 [0,0,0,0,1,0|3,0,0]=4 214 B9R1.11 NCC(O)C1=CC=CO1 P39131 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.11 OC[C@@H](O)C1=CC=CO1 P51763 [0,0,0,0,1,0|3,0,0]=4 216 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [0,0,0,0,0,1|2,0,1]=4 217 B11R1.40 CC(C#N)NC1=CC=CC=C1 M15456 [0,0,0,0,0,1|0,0,2]=3 218 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [0,0,0,0,0,1|0,0,0]=1 219 B11R1.40 CC(CN)SC1=CC=CC=N1 Q58359 [0,0,0,0,0,1|1,0,0]=2 220 B11R1.40 CC(CN)SC1=NC=CC=N1 Q58739 [0,0,0,0,0,1|2,0,0]=3 221 B11R1.40 CCC(Br)CC1=CC=NC=C1 Q58440 [0,0,0,0,0,1|3,0,0]=4 222 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [0,0,0,0,0,1|2,0,0]=3 223 B11R1.40 CCC(O)CC1=CC=NC=C1 Q58397 [0,0,0,0,0,1|3,0,0]=4 224 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [0,0,0,0,0,1|2,0,0]=3 225 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [0,0,0,0,0,1|1,0,1]=3 226 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,0,0,0,0,1|2,0,1]=4 227 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [0,0,0,0,0,1|2,0,1]=4 228 B8R1.2 BrCC1=CC=CN=C1 P36550 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 ICC1=CC=CC=C1 P37031 [2,0,0,0,0,0|1,0,0]=3 230 B8R1.2 NCC1=CC=CN=N1 L21914 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 NCC1=CC=NC=C1 O30621 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.2 NCC1=CC=NC=N1 C-2474 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 NCC1=CC=NC=N1 L13752 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 NCC1=CC=NN=C1 C-3221 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 NCC1=CC=NN=C1 C-3221-01 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 NCC1=CN=CN=C1 C-3222 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.2 NCC1=CN=CN=C1 L14043 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.2 NCC1=NC=CC=N1 C-3224 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.2 NCC1=NC=CC=N1 C-3224-1 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 NCC1=NC=CN=C1 C-3223 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 NCC1=NN=CC=C1 C-2473 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.2 NNC1=CC=CN=C1 C-3227 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 NNC1=CC=NC=C1 C-3226 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 NNC1=CC=NC=C1 L19135 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.2 NNC1=CC=NC=C1 O31964 [2,0,0,0,0,0|2,0,0]=4 246 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 P51612 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 M23061 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.13 CC(C)C1=CN=C(N)C=C1 O34069 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.13 CC(C)C1=CN=C(N)N=C1 Q52535 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.13 CC(C)C1=NC=C(Br)C=N1 L21812 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.13 CC(C)C1=NC=C(N)C=C1 G-7522 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.13 CC(C)C1=NN=C(Br)C=C1 P51559 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 P36954 [1,1,0,0,0,0|0,0,0]=2 254 B10R1.13 CC(N)C1=NC=C(Br)C=N1 Q58772 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.13 CC(N)C1=NC=C(F)C=C1 C-3369 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.13 CC(N)C1=NC=C(F)C=N1 L14507 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.13 CC(N)C1=NC=C(F)C=N1 P51601 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.13 CC(O)C1=CC=C(Cl)N=C1 P39514 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.13 CC(O)C1=CC=C(N)C=C1 P41199 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.13 CC(O)C1=CN=C(Br)C=C1 N26195 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.13 CC1=CC=C(C(C)Br)C=C1 M23020 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.13 CC1=CC=C(C(C)O)C=N1 P43130 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.13 CN(C)C1=CC=C(Br)N=C1 O30431 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.13 CN(C)C1=NC=C(Br)C=C1 P39265 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.13 CN(C)C1=NC=C(I)C=C1 N26187 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.13 CN(C)C1=NC=C(N)C=C1 I-9568 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.13 C[C@@H](N)C1=CN=C(Cl)N=C1 F-4669 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.13 C[C@@H](O)C1=CC=C(Br)N=C1 Q64116 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.13 C[C@@H](O)C1=NC=C(Br)C=C1 Q62335 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 O32464 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 O32601 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Q55738 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.13 C[C@H](O)C1=CC=C(Br)N=C1 Q64115 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Q62334 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.13 FC(F)C1=CC=C(Br)C=C1 P37690 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.13 NC1=CC=C(C(F)F)C=C1 M23361 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.28 CC(C)(N)C1=CC=CN=C1 S72454 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32487 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32488 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32489 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.28 CC(C)(O)C1=NC=CC=C1 M15802 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.28 NP(N)(=O)C1=CC=CC=C1 L19832 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.61 CC(Br)C1=CC=CC=C1F O31043 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.61 CC(C)C1=C(Br)C=NC=C1 Q54489 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.61 CC(C)C1=CC=CN=C1N O33456 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.61 CC(C)C1=CC=NN=C1N Q69566 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.61 CC(C)C1=NC=CN=C1N K12340 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.61 CC(C)C1=NC=NC=C1N Q69561 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.61 CC(Cl)C1=CC=CC=C1Cl P40025 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.61 CC(N)C1=CC=CC=C1Br O34378 [1,1,0,0,0,0|0,0,0]=2 292 B10R1.61 CC(N)C1=CC=CC=C1Cl P38305 [1,1,0,0,0,0|0,0,0]=2 293 B10R1.61 CC(N)C1=CC=CC=C1F P36297 [1,1,0,0,0,0|0,0,0]=2 294 B10R1.61 CC(N)C1=CC=CC=C1N P38310 [1,1,0,0,0,0|0,0,0]=2 295 B10R1.61 CC(O)C1=C(F)C=NC=C1 Q65366 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.61 CC(O)C1=CC=CN=C1Br O30716 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.61 CC(O)C1=CC=CN=C1Cl P41711 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.61 CC(O)C1=CC=CN=C1F N26796 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.61 CC1=CC=CC=C1C(C)N P38147 [1,1,0,0,0,0|0,0,0]=2 300 B10R1.61 CN(C)C1=CC=CC=C1O P38469 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 H-8943 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.61 C[C@@H](O)C1=CC=CN=C1N Q62533 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.61 C[C@H](N)C1=CC=CC=C1Br P51405 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl P41701 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.61 C[C@H](O)C1=CC=CN=C1N Q62532 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.61 N=C(N)C1=CC=CC=C1F P51589 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [1,1,0,0,0,0|0,0,2]=4 308 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 Q52823 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.113 CC(C)C1=CC(O)=NC=C1 Q52824 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.113 CC(C)C1=CC=CC(I)=N1 N26566 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.113 CC(C)C1=CN=CC(O)=C1 Q52825 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.113 CC(N)C1=CC(N)=CC=C1 P41777 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.113 CC(N)C1=CC(O)=CC=C1 P36908 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.113 CC(N)C1=CC=CC(Br)=C1 O34417 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.113 CC(N)C1=CC=CC(Br)=C1 P36288 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 P39424 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.113 CC(N)C1=CC=CC(F)=C1 P36296 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58352 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58353 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.113 CC(O)C1=CC(Cl)=NC=C1 P42079 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.113 CC(O)C1=NC=CC(Br)=C1 Q53431 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.113 CC1=CC(C(C)N)=CC=C1 O30538 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.113 CC1=CC(C(C)N)=CC=C1 P36543 [1,1,0,0,0,0|0,0,0]=2 324 B10R1.113 CC1=NC(C(C)N)=NC=C1 Q58773 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.113 CC1=NC([C@@H](C)N)=CC=C1 Q58193 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.113 CC1=NC([C@H](C)N)=CC=C1 Q58196 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.113 CC1=NC=NC(C(C)N)=C1 Q56712 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N24376 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 M23880 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.113 CN(C)C1=CC=CC(F)=C1 P39813 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.113 CN(C)C1=NC=CC(N)=C1 M23713 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.113 C[C@@H](N)C1=CC(Cl)=NC=C1 F-4328 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 O29507 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 P43499 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 P51333 [1,1,0,0,0,0|0,0,0]=2 336 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.1 BrC1=CC=C(CCI)C=C1 P35777 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.1 BrCCC1=CC=C(Br)C=C1 P40516 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.1 CC1=CC=C(CCN)N=C1 Q58444 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.1 CC1=CN=C(CCN)N=C1 Q58694 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.1 CCCC1=CC=C(N)N=C1 Q52924 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.1 CCNC1=CC=C(Br)C=C1 P36614 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.1 CCNC1=CC=C(Cl)C=C1 P41554 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.1 CCNC1=CC=C(F)C=C1 O32514 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.1 CCNC1=CC=C(N)C=C1 P37237 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.1 CCOC1=CC=C(F)C=C1 M23303 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.1 CNCC1=CC=C(Cl)C=C1 P42874 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.1 CNCC1=CC=C(N)C=C1 P38425 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.1 CNCC1=CC=C(O)C=C1 P36065 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.1 COCC1=CC=C(Br)C=C1 Q67196 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.1 FC1=CC=C(CCBr)C=C1 I-9285 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.1 NCCC1=CC=C(Cl)N=C1 P37543 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.1 NCCC1=CC=C(F)C=N1 Q58446 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.1 NCCC1=CC=C(I)C=C1 P36354 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.1 NCCC1=CN=C(Cl)N=C1 Q65338 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.1 NCCC1=CN=C(Cl)N=C1 Q65339 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.1 NCCC1=NC=C(Br)C=C1 G-5600 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.1 NNCC1=CC=C(Br)C=C1 C-3250 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.1 NNCC1=CC=C(Br)C=C1 I-9319 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.1 NNCC1=CC=C(Cl)C=C1 C-3251 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.1 NNCC1=CC=C(Cl)C=C1 Q51808 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.1 NNCC1=CC=C(F)C=C1 C-3247 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.1 NOCC1=CC=C(Cl)C=C1 O31868 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.1 NOCC1=CC=C(F)C=C1 10767 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.1 OCCC1=NC=C(Br)C=C1 G-5598 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.1 OCCC1=NC=C(F)C=C1 O33379 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.4 BrCCC1=CC=CC=C1Br O28100 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.4 CC1=CC=CC=C1CCBr O28115 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.4 CC1=CC=CN=C1CCN P35791 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.4 CCCC1=C(C)C=CN=C1 N27219 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.4 CCNC1=CC=CC=C1Br P36583 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.4 CCNC1=CC=CC=C1Cl P41555 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.4 CCNC1=CC=CC=C1F P39148 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.4 CCNC1=CC=CC=C1N P39464 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.4 CNCC1=CC=CC=C1C P35580 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.4 CNCC1=CC=CC=C1N P40191 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.4 COCC1=CC=CC=C1Br Q67462 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.4 NC1=C(CCF)C=NC=C1 Q65355 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.4 NCCC1=C(Br)C=CC=N1 L13097 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.4 NCCC1=CC=CC=C1N P42500 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.4 NCCC1=CC=CC=C1O M22991 [1,1,0,0,0,0|0,0,0]=2 382 B10R1.4 NCCC1=NC=CC=C1F Q58445 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.4 NCCN1C=CC=NC1=O L18972 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.4 NCCN1N=CC=CC1=O L20650 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.4 NNCC1=C(Br)C=CC=C1 G-5141 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.4 NNCC1=C(Br)C=CC=C1 Q51807 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.4 NNCC1=C(Cl)C=CC=C1 C-3252 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.4 NNCC1=C(F)C=CC=C1 C-3249 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.4 OC1=CC=CC=C1CCBr P37343 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.4 OCCC1=C(Cl)C=NC=C1 Q69549 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.4 OCCC1=CC=CC=C1O P36102 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.4 OCCC1=NC=CC=C1F L14825 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.10 CC1=CC(CCBr)=CC=C1 P40673 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.10 CC1=CC(CCCl)=CC=C1 P38353 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.10 CC1=CC(CCI)=CC=C1 M23009 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.10 CC1=CC(CCN)=CC=C1 P37429 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.10 CC1=CC(CCN)=NC=C1 Q53269 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.10 CC1=CC=CC(CCO)=N1 Q52530 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.10 CC1=CN=CC(CCN)=C1 Q64732 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.10 CC1=CN=CC(CCO)=C1 Q64733 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.10 CC1=NC=CC(CCN)=C1 O31989 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.10 CCCC1=CC=CC(N)=C1 M23710 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.10 CCCC1=CC=CC(N)=N1 O31120 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.10 CCNC1=CC=CC(Br)=C1 P38317 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.10 CCNC1=CC=CC(Cl)=C1 P41014 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.10 CCNC1=CC=CC(F)=C1 P39149 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.10 CCOC1=CC=CC(F)=C1 Q66827 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.10 CNCC1=CC(O)=CC=C1 P42117 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.10 CNCC1=CC=CC(C)=C1 P38357 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.10 COCC1=CC(Br)=CC=C1 Q67458 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.10 FC1=CC(CCBr)=CC=C1 P39371 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.10 FC1=CN=CC(CCBr)=C1 Q64580 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.10 N#CCC1=CC=CC(N)=C1 P37983 [1,1,0,0,0,0|0,0,2]=4 414 B10R1.10 NC1=CC(CCO)=CC=C1 O31199 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.10 NC1=CC(CCO)=NC=C1 Q53462 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.10 NCCC1=CC(Br)=NC=C1 H-8231 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.10 NCCC1=CC(F)=CN=C1 Q64579 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.10 NCCC1=CC(O)=CC=C1 M23068 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.10 NCCC1=CC=CC(Cl)=C1 G-6963 [1,1,0,0,0,0|0,0,0]=2 420 B10R1.10 NCCC1=CC=CC(I)=C1 P34955 [1,1,0,0,0,0|0,0,0]=2 421 B10R1.10 NCCC1=CC=CC(N)=C1 P36157 [1,1,0,0,0,0|0,0,0]=2 422 B10R1.10 NCCC1=NC=CC(F)=C1 Q53270 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.10 NNCC1=CC(Br)=CN=C1 Q51914 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.10 NNCC1=CC(Cl)=CC=C1 Q51809 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.10 NNCC1=CC(F)=CC=C1 C-3248 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.10 NNCC1=CC(F)=CC=C1 Q51806 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.10 NNCC1=CC=CC(Br)=C1 L20978 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.10 OCCC1=CC(F)=CN=C1 Q64578 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.10 OCCC1=CC=CC(O)=C1 P41607 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.10 OCCC1=NC(Cl)=CC=C1 Q69232 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.10 OCCC1=NC=CC(Br)=C1 S72505 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.17 C#CCOC1=CC=CC=C1 P41520 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.17 CCCCC1=CC=NC=C1 O30545 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.17 CNCCC1=CC=CC=C1 P37213 [1,1,0,0,0,0|0,0,0]=2 436 B10R1.17 CNCCC1=CC=NC=C1 P37446 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.17 CNCCC1=NC=CC=C1 P40087 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.17 ICCCC1=CC=CC=C1 P38180 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.17 NCC#CC1=CC=CC=N1 Q58471 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.17 NCC#CC1=CC=CC=N1 Q58472 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.17 NCCCC1=CC=NC=C1 P38929 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.17 NCCNC1=NC=CC=C1 P34736 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.17 NCCNC1=NC=CC=C1 P36299 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.17 NCCOC1=CC=CN=C1 O34354 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.17 NCCOC1=CC=NC=C1 P51450 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.17 NCCOC1=NC=CC=C1 O34316 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.17 NC\C=C\C1=CC=CN=C1 Q58489 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.17 OCCCC1=NC=CC=C1 P39056 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.9 COC(CN)C1=CSC=C1 L18847 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.11 NCCC(O)C1=COC=C1 L18906 [0,1,0,0,1,0|2,0,0]=4 455 B12R1.32 C#CCN(C)CC1=CC=CC=C1 O33738 [0,1,0,0,0,1|2,0,0]=4 456 B12R1.32 CN(CCN)CC1=CC=CC=C1 P41340 [0,1,0,0,0,1|1,0,0]=3 457 B12R1.32 CONC(C)CC1=CC=CC=C1 O31441 [0,1,0,0,0,1|2,0,0]=4 458 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 P41882 [0,1,0,0,0,1|1,0,1]=4 459 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [0,1,0,0,0,1|1,0,1]=4 460 B12R1.49 CC(CN)OC1=CC=C(Cl)C=C1 P40582 [0,1,0,0,0,1|0,0,0]=2 461 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [0,1,0,0,0,1|2,0,0]=4 462 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [0,1,0,0,0,1|2,0,0]=4 463 B12R1.49 NC(CO)CC1=CC=C(Br)C=C1 P35633 [0,1,0,0,0,1|2,0,0]=4 464 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 P38593 [0,1,0,0,0,1|2,0,0]=4 465 B12R1.49 NC(CO)CC1=CC=C(F)C=C1 P38588 [0,1,0,0,0,1|2,0,0]=4 466 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 P39975 [0,1,0,0,0,1|2,0,0]=4 467 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 P38643 [0,1,0,0,0,1|2,0,0]=4 468 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 M23085 [0,1,0,0,0,1|2,0,0]=4 469 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 P36332 [0,1,0,0,0,1|2,0,0]=4 470 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 P39974 [0,1,0,0,0,1|2,0,0]=4 471 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 P40016 [0,1,0,0,0,1|2,0,0]=4 472 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 P37803 [0,1,0,0,0,1|2,0,0]=4 473 B12R1.50 CC1=CC(CC(N)CO)=CC=C1 P38591 [0,1,0,0,0,1|2,0,0]=4 474 B12R1.50 CC1=CC(C[C@@H](N)CO)=CC=C1 P36120 [0,1,0,0,0,1|2,0,0]=4 475 B12R1.50 NC(CO)CC1=CC=CC(Br)=C1 P39329 [0,1,0,0,0,1|2,0,0]=4 476 B12R1.50 NC(CO)CC1=CC=CC(Cl)=C1 P38434 [0,1,0,0,0,1|2,0,0]=4 477 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 P38589 [0,1,0,0,0,1|2,0,0]=4 478 B12R1.50 N[C@@H](CO)CC1=CC=CC(F)=C1 P36121 [0,1,0,0,0,1|2,0,0]=4 479 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 P37966 [0,1,0,0,0,1|2,0,0]=4 480 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 P34978 [0,1,0,0,0,1|2,0,0]=4 481 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 P34977 [0,1,0,0,0,1|2,0,0]=4 482 B12R1.118 NCC(CO)CC1=CC=CN=C1 Q58251 [0,1,0,0,0,1|1,0,0]=3 483 B12R1.118 NCC(CO)CC1=CC=NC=C1 Q58252 [0,1,0,0,0,1|1,0,0]=3 484 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 L21351 [0,1,0,0,0,1|1,0,1]=4 485 B12R1.194 C[C@@](N)(CO)CC1=CC=CC=C1 10161 [0,1,0,0,0,1|1,0,0]=3 486 B12R1.371 CC(CN)OC1=CC=CC=C1Cl P35408 [0,1,0,0,0,1|0,0,0]=2 487 B12R1.371 CC1=CC=CC=C1CC(N)CO P38592 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.371 CC1=CC=CC=C1C[C@H](N)CO P34976 [0,1,0,0,0,1|2,0,0]=4 489 B12R1.371 NC(CO)CC1=CC=CC=C1Br P41931 [0,1,0,0,0,1|2,0,0]=4 490 B12R1.371 NC(CO)CC1=CC=CC=C1Cl P38433 [0,1,0,0,0,1|2,0,0]=4 491 B12R1.371 NC(CO)CC1=CC=CC=C1F P40521 [0,1,0,0,0,1|2,0,0]=4 492 B12R1.371 N[C@@H](CO)CC1=CC=CC=C1Cl P42911 [0,1,0,0,0,1|2,0,0]=4 493 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl P42910 [0,1,0,0,0,1|2,0,0]=4 494 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F P41132 [0,1,0,0,0,1|2,0,0]=4 495 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 P42524 [0,2,0,0,0,0|0,0,2]=4 496 B12R1.9 CC(C)(CO)C1=CC=C(Br)N=C1 Q53315 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.9 CC(O)(CN)C1=CC=C(Br)C=C1 Q66028 [0,2,0,0,0,0|0,0,0]=2 498 B12R1.10 CCC(C)(N)C1=CC=CC(Cl)=C1 M22935 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.10 CC[N+](C)(C)C1=CC=CC(O)=C1 10651 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.39 CC(C)(CCBr)C1=CC=CC=C1 L19577 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 L20303 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 P38384 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 P37381 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.475 CC(CO)(CO)C1=CC=CC=C1 P39384 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.475 CCC(C)(CC)C1=CC=CC=C1 P43341 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.475 CCC(O)(CN)C1=CC=CC=C1 M22836 [0,2,0,0,0,0|0,0,0]=2 507 B12R1.12 CCC(CC)C1=CC=C(N)C=C1 O30912 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.12 NCC(CN)C1=CC=C(F)C=C1 Q70068 [0,2,0,0,0,0|0,0,0]=2 509 B12R1.13 CCN(CC)C1=CC=CC(Br)=C1 Q65663 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.13 CCN(CC)C1=CC=CC(N)=C1 P39228 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.13 COC(C#N)C1=CC(F)=CC=C1 L19078 [0,2,0,0,0,0|0,0,2]=4 512 B12R1.13 OCC(CO)C1=CC=CC(Br)=C1 P36126 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 P36921 [0,2,0,0,0,0|0,0,0]=2 514 B12R1.478 CN(C)C(CN)C1=CC=CN=C1 P36904 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.478 CN(C)C(CN)C1=NC=CC=C1 P35018 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 P36308 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 P39058 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 P38907 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 P39274 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.478 NC(=O)C(CO)C1=CC=CC=C1 P51093 [0,2,0,0,0,0|0,0,1]=3 521 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 O28753 [0,2,0,0,0,0|0,0,1]=3 522 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 Q69047 [0,2,0,0,0,0|0,0,1]=3 523 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 Q69050 [0,2,0,0,0,0|0,0,1]=3 524 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 Q69051 [0,2,0,0,0,0|0,0,1]=3 525 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 Q69055 [0,2,0,0,0,0|0,0,1]=3 526 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 P36618 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 P42260 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 P42755 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 P36052 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 P36616 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 P37084 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 P35426 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 P42566 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 P35435 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 P39529 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 P42268 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.16 N[C@H](CCO)C1=CC=C(Cl)C=C1 P42266 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 P39530 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.16 OCCC(O)C1=CC=C(Br)C=C1 P39649 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.17 CC1=CC(C(N)CCO)=CC=C1 P36619 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.17 NC(CCO)C1=CC=CC(Br)=C1 P36053 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 O30501 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.17 NC(CCO)C1=CC=CC(F)=C1 P36600 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 P42271 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 P42264 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.17 N[C@H](CCO)C1=CC=CC(Cl)=C1 P42256 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 Q69139 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.30 C=CCNC(C)C1=CC=CC=N1 Q58228 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.30 C=CCNC(C)C1=CC=CN=C1 Q58240 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.30 C=CCNC(C)C1=CC=NC=C1 Q58229 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.30 CC(NCCN)C1=CC=CC=C1 L20203 [0,2,0,0,0,0|0,0,0]=2 552 B12R1.30 CC(NCCO)C1=CC=CC=N1 Q58298 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.30 CC(NCCO)C1=CC=CN=C1 Q58296 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.30 CC(NCCO)C1=CC=NC=C1 Q58297 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.30 CN(CCCN)C1=CC=CC=N1 Q62432 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.30 COCCC(N)C1=CC=CC=C1 P38104 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.30 NC(CCCO)C1=CC=CC=C1 Q65498 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.30 NCCNC(=O)C1=CC=CC=C1 P41078 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L20607 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.107 CC(CC(=O)O)C1=CC=CC=N1 Q60567 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Q60575 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 P38865 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 P36593 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 P36537 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 P40514 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.308 NC(CCO)C1=CC=CC=C1Br P40578 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.308 NC(CCO)C1=CC=CC=C1Cl P39744 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.308 NC(CCO)C1=CC=CC=C1F P37085 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 P35874 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.5 CCC(O)C1=CC=C(OC)C=C1 P37583 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.5 COC1=CC=C(C(N)CO)C=C1 P41432 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.5 COC1=CC=C(C(O)CN)C=C1 P37470 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 P43091 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.5 COC1=CC=C([C@H](N)CO)C=C1 P40188 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 P34974 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 P36216 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 Q65925 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.20 CC(C)C(N)C1=CC=C(Cl)C=C1 P36067 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 P37279 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 P39460 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.20 CC1=CC=C(C(N)C(C)C)C=C1 P35720 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 P51478 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.20 CC1=CC=C([C@H](C)C(=O)O)C=C1 P51479 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.367 CC1=CC=C(C(N)CO)C=C1C P35197 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.367 CC1=CC=C(C(O)CN)C=C1C P36058 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.367 NC(CO)C1=CC=C(Cl)C(F)=C1 P42063 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.367 NC(CO)C1=CC=C(F)C(Cl)=C1 P35017 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.367 NC(CO)C1=CC=C(F)C(F)=C1 P39677 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.367 NCC(=O)C1=CC=C(Cl)C(Cl)=C1 P38157 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.367 NCC(=O)C1=CC=C(F)C(F)=C1 P42286 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.367 NCC(O)C1=CC=C(Cl)C(Cl)=C1 P38572 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.367 NCC(O)C1=CC=C(F)C(F)=C1 P43069 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.367 N[C@@H](CO)C1=CC=C(F)C(Cl)=C1 P35016 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.367 N[C@@H](CO)C1=CC=C(F)C(F)=C1 P39117 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.367 N[C@H](CO)C1=CC=C(F)C(Cl)=C1 P37881 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.367 N[C@H](CO)C1=CC=C(F)C(F)=C1 P41874 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 P35198 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.1703 CC1=CC=C(C(O)CN)C(C)=C1 P41631 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.1703 NCC(=O)C1=CC=C(Cl)C=C1Cl P36823 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.1703 NCC(=O)C1=CC=C(F)C=C1F P36056 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.1703 NCC(O)C1=CC=C(Cl)C=C1Cl P35367 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.1703 NCC(O)C1=CC=C(F)C=C1F P37724 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.24 NCC(O)C1=CC=CC(Cl)=C1Cl P41636 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.225 CC(N)C(O)C1=CC(O)=CC=C1 L20369 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.354 NCC(O)C1=CC(F)=CC=C1F P41635 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.358 NC(CO)C1=CC(Cl)=CC(Cl)=C1 P38474 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.358 NC(CO)C1=CC(F)=CC(F)=C1 P38381 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.358 NCC(=O)C1=CC(F)=CC(F)=C1 P42401 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.358 NCC(O)C1=CC(F)=CC(F)=C1 P41634 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 P39449 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.435 COC1=CC(C(N)CO)=CC=C1 P38813 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.435 COC1=CC(C(O)CN)=CC=C1 P39138 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 P36199 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 P42270 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.564 CC(C1=CC=CC=N1)S(N)(=O)=O Q58372 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.564 FC(F)(F)C(Br)C1=CC=CC=C1 P38095 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F O34421 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F P37706 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F P51440 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.77 COC1=CC=CC=C1C(N)CO P42721 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.3441 NCC(O)C1=C(F)C=CC=C1F M22826 [0,2,0,0,0,0|1,0,0]=3 623 B10R2.6 C1=CC(C2CC2)=CC=N1 N25361 [1,0,0,1,0,0|1,0,0]=3 624 B10R2.6 C1=CC=C(C2CN2)C=C1 P41085 [1,0,0,1,0,0|0,0,0]=2 625 B10R2.6 C1=CN=C(C2CC2)C=C1 K12338 [1,0,0,1,0,0|1,0,0]=3 626 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [1,0,0,1,0,0|0,0,0]=2 627 B10R2.7 C1=CC=C2CNCC2=C1 P44607 [1,0,0,1,0,0|2,0,0]=4 628 B10R2.7 C1=CN=C2CCNC2=C1 O29585 [1,0,0,1,0,0|1,0,0]=3 629 B10R2.7 C1=CN=C2NCCC2=C1 C-3425 [1,0,0,1,0,0|1,0,0]=3 630 B10R2.136 C1=CN(C2CNC2)C=N1 P40992 [0,0,0,1,1,0|2,0,0]=4 631 B10R2.136 C1=CN(C2CNC2)N=C1 P42180 [0,0,0,1,1,0|2,0,0]=4 632 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O I-9168 [0,0,0,1,0,1|1,0,0]=3 633 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O G-6897 [0,0,0,1,0,1|1,0,0]=3 634 B12R2.24 NC1CNC2=C(C=CC=C2)C1 O32222 [0,0,0,1,0,1|1,0,0]=3 635 B12R2.24 NC1COC2=C(C=CC=C2)C1 O34395 [0,0,0,1,0,1|2,0,0]=4 636 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 O34281 [0,0,0,1,0,1|2,0,0]=4 637 B12R2.24 N[C@H]1COC2=C(C=CC=C2)C1 O34576 [0,0,0,1,0,1|2,0,0]=4 638 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [0,0,0,1,0,1|1,0,1]=4 639 B12R2.24 OC1CNC2=C(C=CC=C2)C1 O33538 [0,0,0,1,0,1|1,0,0]=3 640 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [0,0,0,1,0,1|2,0,0]=4 641 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 O33190 [0,0,0,1,0,1|1,0,0]=3 642 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [0,0,0,1,0,1|2,0,0]=4 643 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 O33189 [0,0,0,1,0,1|1,0,0]=3 644 B12R2.27 N#CC1CC1C2=CC=CC=C2 P43268 [0,0,0,1,0,1|0,0,2]=4 645 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 M15885 [0,0,0,1,0,1|0,0,2]=4 646 B12R2.27 NCC1CC1C2=CC=CC=C2 L19913 [0,0,0,1,0,1|0,0,0]=2 647 B12R2.27 O=CC1CC1C2=CC=CC=C2 L20873 [0,0,0,1,0,1|1,0,1]=4 648 B12R2.27 OCC1CC1C2=CC=CC=C2 P51570 [0,0,0,1,0,1|1,0,0]=3 649 B12R2.32 NCC1=CC2=CC=CC=C2O1 P38438 [0,0,0,1,0,1|0,0,2]=4 650 B12R2.32 NCC1=NC2=CC=CC=C2N1 O34510 [0,0,0,1,0,1|1,0,1]=4 651 B12R2.32 OCC1CC2=C(C=CC=C2)N1 M23283 [0,0,0,1,0,1|1,0,0]=3 652 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 I-9423 [0,0,0,1,0,1|1,0,0]=3 653 B12R2.2058 C1=CC(NC2CNC2)=NC=N1 L19085 [0,0,0,1,0,1|2,0,0]=4 654 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 M22647 [0,0,0,1,0,1|0,0,0]=2 655 B12R2.2058 C1=CC=C(CN2CCC2)C=C1 P45197 [0,0,0,1,0,1|2,0,0]=4 656 B12R2.2058 C1=CC=C(NC2CNC2)C=C1 P36319 [0,0,0,1,0,1|0,0,0]=2 657 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 G-7276 [0,0,0,1,0,1|0,0,0]=2 658 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 M22662 [0,0,0,1,0,1|0,0,0]=2 659 B12R2.2058 C1=CN=C(NC2CNC2)N=C1 L19096 [0,0,0,1,0,1|2,0,0]=4 660 B12R2.2058 C1=CN=C(OC2CNC2)C=C1 P35306 [0,0,0,1,0,1|1,0,0]=3 661 B12R2.2058 C1=CN=CC(OC2CNC2)=C1 P39560 [0,0,0,1,0,1|1,0,0]=3 662 B12R2.2058 C1=CN=NC(NC2CNC2)=C1 L19043 [0,0,0,1,0,1|2,0,0]=4 663 B12R2.2058 C1=NC=C(NC2CNC2)N=C1 L20243 [0,0,0,1,0,1|2,0,0]=4 664 B12R2.48 NCC1(C2=CC=CC=C2)CC1 O33642 [0,1,0,1,0,0|0,0,0]=2 665 B12R2.48 NCC1(C2=CC=CC=C2)CC1 P35008 [0,1,0,1,0,0|0,0,0]=2 666 B12R2.48 NCC1(C2=CC=CN=C2)CC1 P42995 [0,1,0,1,0,0|1,0,0]=3 667 B12R2.48 NCC1(C2=NC=CC=C2)CC1 P35953 [0,1,0,1,0,0|1,0,0]=3 668 B12R2.48 OCC1(C2=CC=CC=C2)CC1 O27999 [0,1,0,1,0,0|1,0,0]=3 669 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P40536 [0,1,0,1,0,0|1,0,0]=3 670 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P42329 [0,1,0,1,0,0|1,0,0]=3 671 B12R2.116 NC1(C2=CC=CC=C2)COC1 G-7244 [0,1,0,1,0,0|1,0,0]=3 672 B12R2.116 NC1(C2=CC=CC=C2)COC1 P49351 [0,1,0,1,0,0|1,0,0]=3 673 B12R2.116 NC1(C2=CC=CN=C2)COC1 F-4832 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.116 NC1(C2=CC=CN=C2)COC1 L14651 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.116 NC1(C2=NC=CC=C2)COC1 F-4838 [0,1,0,1,0,0|2,0,0]=4 676 B12R2.116 OC1(C2=CC=CC=C2)CNC1 G-6286 [0,1,0,1,0,0|0,0,0]=2 677 B12R2.116 OC1(C2=NC=CC=C2)CNC1 Q65571 [0,1,0,1,0,0|1,0,0]=3 678 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 I-9043 [0,1,0,1,0,0|0,0,0]=2 679 B12R2.2403 CC1(C)CNC2=NC=CC=C21 P47822 [0,1,0,1,0,0|1,0,0]=3 680 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 G-7597 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.1 BrCC1=CNC2=C1C=CC=C2 Q54248 [0,1,0,1,0,0|0,0,2]=4 682 B12R2.1 OCC1=NNC2=C1C=CC=C2 G-5612 [0,1,0,1,0,0|1,0,1]=4 683 B12R2.1 OCC1C=CC2=C1C=CC=C2 K12008 [0,1,0,1,0,0|1,0,1]=4 684 B12R2.2 C1=CC(C2CCCN2)=CC=N1 I-9758 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.2 C1=CC=C(C2CCCN2)C=C1 Q55561 [0,1,0,1,0,0|1,0,0]=3 686 B12R2.2 C1=CC=C(C2CCCO2)C=C1 G-5955 [0,1,0,1,0,0|1,0,0]=3 687 B12R2.2 C1=CC=C(C2CCNC2)C=C1 L13987 [0,1,0,1,0,0|0,0,0]=2 688 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P44791 [0,1,0,1,0,0|0,0,0]=2 689 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 L14895 [0,1,0,1,0,0|0,0,0]=2 690 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 10698 [0,1,0,1,0,0|1,0,0]=3 691 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 L22374 [0,1,0,1,0,0|0,0,0]=2 692 B12R2.2 C1=CN=C(C2CCCN2)C=C1 M22660 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.2 C1=CN=C(C2CCNC2)C=C1 A-560 [0,1,0,1,0,0|1,0,0]=3 694 B12R2.2 C1=CN=C(C2CCNC2)C=C1 A-562 [0,1,0,1,0,0|1,0,0]=3 695 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [0,1,0,1,0,0|0,0,0]=2 696 B12R2.22 NC1CN(C2=CC=CC=C2)C1 L21688 [0,1,0,1,0,0|1,0,0]=3 697 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [0,1,0,1,0,0|0,0,0]=2 698 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [0,1,0,1,0,0|0,0,0]=2 699 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,1,0,1,0,0|1,0,0]=3 700 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,1,0,1,0,0|1,0,1]=4 701 B12R2.22 OC1CN(C2=CC=CC=C2)C1 L18106 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.1081 NC1CCOC2=CC=CC=C21 P37556 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.1081 NC1COCC2=C1C=CC=C2 G-7548 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 O34575 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 O34290 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B-1121 [0,1,0,1,0,0|1,0,1]=4 707 B12R2.1081 O=C1CCNC2=C1C=CC=C2 O34422 [0,1,0,1,0,0|1,0,1]=4 708 B12R2.2028 CC1OB(O)C2=CC=CC=C21 N27110 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 P39493 [0,1,0,1,0,0|2,0,0]=4 710 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 P51521 [0,1,0,1,0,0|2,0,0]=4 711 B12R2.79 CC1=CC=C(C2CC2N)C=C1 Q69960 [0,1,0,1,0,0|0,0,0]=2 712 B12R2.79 FC1=CC=C(C2CC2Br)C=C1 O29607 [0,1,0,1,0,0|1,0,0]=3 713 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 O34315 [0,1,0,1,0,0|0,0,0]=2 714 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 Q69959 [0,1,0,1,0,0|0,0,0]=2 715 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 Q69961 [0,1,0,1,0,0|0,0,0]=2 716 B12R2.79 NC1CC1C2=CC=C(F)C=C2 O34585 [0,1,0,1,0,0|0,0,0]=2 717 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 O34571 [0,1,0,1,0,0|0,0,0]=2 718 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 O34573 [0,1,0,1,0,0|0,0,0]=2 719 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(O)C=C2 L14742 [0,1,0,1,0,0|0,0,0]=2 720 B12R2.79 N[C@H]1C[C@@H]1C2=CN=C(Br)C=C2 L14757 [0,1,0,1,0,0|1,0,0]=3 721 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 P37814 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 P38660 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 P36388 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 P37943 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.290 NC1(C2=CC=C(I)C=C2)CC1 P36947 [0,1,0,1,0,0|2,0,0]=4 726 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 L14882 [0,1,0,1,0,0|0,0,2]=4 727 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P44314 [0,1,0,1,0,0|0,0,2]=4 728 B12R2.612 CC1=CNC2=CC(N)=CC=C12 L13196 [0,1,0,1,0,0|0,0,2]=4 729 B12R2.612 CC1=NNC2=C1C=CC(I)=C2 G-6456 [0,1,0,1,0,0|1,0,1]=4 730 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 C-2094 [0,1,0,1,0,0|1,0,1]=4 731 B12R2.612 CC1=NNC2=CC(N)=CC=C21 C-2091 [0,1,0,1,0,0|1,0,1]=4 732 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 10152 [0,1,0,1,0,0|2,0,0]=4 733 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 P40299 [0,1,0,1,0,0|2,0,0]=4 734 B12R2.612 NC1CCC2=C1C=CC(F)=C2 Q66157 [0,1,0,1,0,0|2,0,0]=4 735 B12R2.612 OC1CCC2=C1C=CC(Br)=C2 Q66199 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 N25053 [0,1,0,1,0,0|1,0,0]=3 737 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 P44403 [0,1,0,1,0,0|0,0,0]=2 738 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 G-7440 [0,1,0,1,0,0|1,0,0]=3 739 B12R2.2302 NC1=CC=C(N2CCC2)C=C1 P38671 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.2302 OC1=CC=C(C2CCC2)C=C1 N25921 [0,1,0,1,0,0|1,0,0]=3 741 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 O34598 [0,1,0,1,0,0|0,0,0]=2 742 B12R2.80 NC1CC1C2=CC=CC(F)=C2 O34562 [0,1,0,1,0,0|0,0,0]=2 743 B12R2.132 CC1=CC2=C(C=C1)CCC2N P38544 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 Q55299 [0,1,0,1,0,0|0,0,2]=4 745 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 G-7513 [0,1,0,1,0,0|0,0,2]=4 746 B12R2.132 CC1=CNC2=C1C=C(N)C=C2 Q55296 [0,1,0,1,0,0|0,0,2]=4 747 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 Q55686 [0,1,0,1,0,0|1,0,1]=4 748 B12R2.132 CC1=NNC2=CC=C(Br)C=C21 C-2092 [0,1,0,1,0,0|1,0,1]=4 749 B12R2.132 CC1=NNC2=CC=C(N)C=C21 C-2090 [0,1,0,1,0,0|1,0,1]=4 750 B12R2.132 NC1CCC2=C1C=C(Br)C=C2 P42338 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 P36711 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.132 NC1CCC2=C1C=C(F)C=C2 M23347 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 L18503 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.132 OC1CCC2=C1C=C(Cl)C=C2 P37662 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.132 OC1CCC2=CC=C(Br)C=C21 N24956 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.196 CC1=CC=CC2=C1CCC2N M22843 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.196 CC1=CNC2=C1C=CC=C2Br O30302 [0,1,0,1,0,0|0,0,2]=4 758 B12R2.196 CC1=CNC2=C1C=CC=C2N L14881 [0,1,0,1,0,0|0,0,2]=4 759 B12R2.196 CC1=NNC2=C1C=CC=C2Br G-5466 [0,1,0,1,0,0|1,0,1]=4 760 B12R2.196 CC1=NNC2=C1C=CC=C2F Q52505 [0,1,0,1,0,0|1,0,1]=4 761 B12R2.196 NC1CCC2=C1C=CC=C2Br L22472 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.196 NC1CCC2=C1C=CC=C2Cl P36710 [0,1,0,1,0,0|2,0,0]=4 763 B12R2.196 NC1CCC2=C1C=CC=C2F M23042 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F S72703 [0,1,0,1,0,0|2,0,0]=4 765 B12R2.196 OC1CCC2=C1C=CC=C2Br P40723 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.196 OC1CCC2=C1C=CC=C2Cl P38853 [0,1,0,1,0,0|2,0,0]=4 767 B12R2.1282 CC1=CC(C2(N)CC2)=CC=C1 P37815 [0,1,0,1,0,0|2,0,0]=4 768 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 P37506 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 P37942 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 P36192 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.1282 NC1(C2=CC=CC(I)=C2)CC1 P36098 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.2313 BrC1=CC(C2CCC2)=CC=C1 N25708 [0,1,0,1,0,0|1,0,0]=3 773 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 O33220 [0,1,0,1,0,0|0,0,0]=2 774 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 G-7246 [0,1,0,1,0,0|1,0,0]=3 775 B12R2.2313 BrC1=CC(N2CCC2)=CC=C1 Q69621 [0,1,0,1,0,0|2,0,0]=4 776 B12R2.88 CC1=CC=CC=C1C2(N)CC2 P37816 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.88 NC1(C2=CC=CC=C2Br)CC1 P37140 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.88 NC1(C2=CC=CC=C2Cl)CC1 P35617 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.88 NC1(C2=CC=CC=C2F)CC1 P35419 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.115 NC1CC1C2=CC=CC=C2F Q70161 [0,1,0,1,0,0|0,0,0]=2 781 B12R2.203 CC1=CNC2=C1C(F)=CC=C2 Q55308 [0,1,0,1,0,0|0,0,2]=4 782 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 Q55294 [0,1,0,1,0,0|0,0,2]=4 783 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 L13715 [0,1,0,1,0,0|0,0,2]=4 784 B12R2.203 CC1=CNC2=CC=CC(N)=C12 L13255 [0,1,0,1,0,0|0,0,2]=4 785 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 C-2815 [0,1,0,1,0,0|1,0,1]=4 786 B8R1.7 CC(C)C1=CC=CO1 A-982 [1,0,0,0,1,0|1,0,0]=3 787 B8R1.7 CC(C)N1C=CC=N1 Q67289 [1,0,0,0,1,0|2,0,0]=4 788 B8R1.7 CC(N)C1=CC=NN1 O29815 [1,0,0,0,1,0|2,0,0]=4 789 B8R1.7 CC(N)C1=NC=CS1 P51364 [1,0,0,0,1,0|2,0,0]=4 790 B8R1.7 CC(O)C1=CSC=C1 O31068 [1,0,0,0,1,0|2,0,0]=4 791 B8R1.7 C[C@@H](N)C1=NC=CS1 P51442 [1,0,0,0,1,0|2,0,0]=4 792 B8R1.7 C[C@H](N)C1=CN=CO1 L19494 [1,0,0,0,1,0|2,0,0]=4 793 B8R1.7 C[C@H](N)C1=NC=CS1 P51443 [1,0,0,0,1,0|2,0,0]=4 794 B8R1.8 NCCC1=CC=CO1 O34064 [1,0,0,0,1,0|1,0,0]=3 795 B8R1.8 NCCC1=CSC=C1 G-7583 [1,0,0,0,1,0|1,0,0]=3 796 B8R1.8 NCCN1C=CC=C1 P38998 [1,0,0,0,1,0|1,0,0]=3 797 B8R1.8 NCCN1C=CC=N1 P43070 [1,0,0,0,1,0|2,0,0]=4 798 B8R1.8 NCCN1C=CN=C1 O32262 [1,0,0,0,1,0|2,0,0]=4 799 B8R1.8 NCCN1C=CN=C1 P37320 [1,0,0,0,1,0|2,0,0]=4 800 B8R1.8 OCCC1=CC=CS1 I-9194 [1,0,0,0,1,0|2,0,0]=4 801 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [0,0,0,0,0,2|1,0,0]=3 802 B12R1.27 CC(CO)NCC1=CC=CC=N1 Q58145 [0,0,0,0,0,2|2,0,0]=4 803 B12R1.27 CC(CO)NCC1=CC=CN=C1 Q58150 [0,0,0,0,0,2|2,0,0]=4 804 B12R1.27 CC(CO)NCC1=CC=NC=C1 Q58149 [0,0,0,0,0,2|2,0,0]=4 805 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [0,0,0,0,0,2|1,0,0]=3 806 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [0,0,0,0,0,2|1,0,0]=3 807 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [0,0,0,0,0,2|1,0,0]=3 808 B12R1.27 OC(CCl)COC1=CC=CC=C1 O34043 [0,0,0,0,0,2|2,0,0]=4