0 B10R1.17 C#CCOC1=CC=CC=C1 P41520 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 CCCCC1=CC=NC=C1 O30545 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 CNCCC1=CC=CC=C1 P37213 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 CNCCC1=CC=NC=C1 P37446 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 CNCCC1=NC=CC=C1 P40087 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 ICCCC1=CC=CC=C1 P38180 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 NCC#CC1=CC=CC=N1 Q58471 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 NCC#CC1=CC=CC=N1 Q58472 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 NCCCC1=CC=NC=C1 P38929 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 NCCNC1=NC=CC=C1 P34736 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 NCCNC1=NC=CC=C1 P36299 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 NCCOC1=CC=CN=C1 O34354 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.17 NCCOC1=CC=NC=C1 P51450 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.17 NCCOC1=NC=CC=C1 O34316 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.17 NC\C=C\C1=CC=CN=C1 Q58489 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [0,0,0,0,0,0|0,0,2]=2 19 B10R1.17 OCCCC1=NC=CC=C1 P39056 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.17 OCCNC1=CC=NC=N1 Q58729 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.17 OC\C=C\C1=CC=CN=C1 P51266 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 CCNC1=NN=CC=C1 O31986 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 CNCC1=CC=CN=C1 P35002 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CNCC1=CC=NC=C1 P36555 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 CNCC1=NC=CC=C1 P39822 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 N#CCC1=CC=NC=C1 P41732 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 NCCC1=CC=NC=N1 L14509 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 NCCC1=NC=CC=N1 L14904 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 NCCC1=NC=CC=N1 Q55474 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 NCCC1=NC=NC=C1 Q56454 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 NNCC1=CC=CC=C1 P43525 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 NNCC1=CC=CN=C1 O31533 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 NNCC1=CC=NC=C1 C-3253 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 NNCC1=CC=NC=C1 L13556 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 NNCC1=CC=NC=C1 O32212 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 NNCC1=CN=CC=C1 C-3254 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 NNCC1=NC=CC=C1 C-3255 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 NNCC1=NC=CC=C1 O31423 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.8 OCCC1=CC=CN=C1 O28068 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 OCCC1=CC=NC=C1 P37585 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 OCCC1=CC=NC=N1 Q56821 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 OCCC1=NC=CC=N1 Q56820 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 O32008 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.1 BrCCCC1=CC=C(Br)C=C1 O28558 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.1 BrCCOC1=CC=C(Br)C=C1 P40240 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.1 C#CCOC1=CC=C(Br)C=C1 P38782 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.1 C#CCOC1=CC=C(C)C=C1 P37379 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 P40177 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.1 C#CCOC1=CC=C(F)C=C1 P42073 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.1 C#CCOC1=CC=C(N)C=C1 P39226 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.1 C=CCOC1=CC=C(Br)C=C1 M22970 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.1 C=CCOC1=CC=C(Cl)C=C1 P41385 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.1 CC1=CC=C(C#CCO)C=C1 O27973 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.1 CC1=CC=C(CCCN)C=C1 P37491 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.1 CC1=CC=C(CCCO)C=C1 P37548 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.1 CC1=CC=C(NCCN)N=C1 Q58257 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.1 CC1=CC=C(OCCN)C=C1 P39224 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.1 CC1=CC=C(OCCO)C=C1 P41034 [0,1,0,0,0,0|0,0,0]=1 63 B11R1.1 CCCNC1=CC=C(Br)C=C1 L20694 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.1 CCCOC1=NC=C(Cl)C=C1 Q67615 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.1 CCOCC1=CC=C(Br)C=C1 Q68272 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.1 CNCCC1=CC=C(Br)C=C1 P36407 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.1 CNCCC1=CC=C(C)C=C1 P39523 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.1 CNCCC1=CC=C(Cl)C=C1 P38411 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.1 CNCCC1=CC=C(F)C=C1 P38002 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.1 COCOC1=CC=C(Br)C=C1 Q66626 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.1 COCOC1=CC=C(C)C=C1 Q67077 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.1 COCOC1=CC=C(Cl)C=C1 Q66756 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.1 COCOC1=CC=C(F)C=C1 Q66729 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.1 COCOC1=CN=C(Br)C=C1 N26410 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.1 COCOC1=CN=C(Cl)C=C1 Q69334 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.1 COCOC1=CN=C(F)C=C1 Q67767 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.1 ClC1=CC=C(CCCBr)C=C1 P36856 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 ClC1=CC=C(OCCBr)C=C1 P39956 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.1 ClCCOC1=CC=C(Br)C=C1 Q66285 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.1 FC1=CC=C(CCCBr)C=C1 P39413 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.1 FCCOC1=CC=C(Br)C=C1 Q66290 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 P38827 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.1 N#CCNC1=CC=C(Cl)C=C1 P39380 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.1 N#CCOC1=CC=C(F)C=C1 P39441 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.1 NC1=CC=C(CCCO)C=C1 O28226 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.1 NC1=CC=C(NCCO)C=C1 P40155 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.1 NC1=CC=C(OCCO)C=C1 P36875 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.1 NC1=NC=C(CCCO)C=N1 L20150 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.1 NCCCC1=CC=C(Br)C=C1 P36773 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.1 NCCCC1=CC=C(Cl)C=C1 P40263 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.1 NCCCC1=CC=C(F)C=C1 P43064 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.1 NCCCC1=CC=C(N)C=C1 P35188 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.1 NCCNC1=CC=C(Br)C=C1 P37781 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.1 NCCNC1=CC=C(F)C=C1 P37782 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.1 NCCNC1=NC=C(Br)C=C1 P40044 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.1 NCCOC1=CC=C(Br)C=C1 P39225 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.1 NCCOC1=CC=C(Cl)C=C1 P39041 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.1 NCCOC1=CC=C(Cl)C=N1 Q58385 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.1 NCCOC1=CC=C(F)C=C1 P37101 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.1 NCCOC1=CC=C(N)C=C1 P36425 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.1 NCCOC1=CC=C(O)C=C1 P37780 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.1 NCCOC1=NC=C(Cl)C=C1 Q62434 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.1 NCCSC1=CC=C(Br)C=C1 P36571 [0,1,0,0,0,0|1,1,0]=3 104 B11R1.1 OCC#CC1=CC=C(Br)C=C1 O27965 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.1 OCC#CC1=CC=C(Cl)C=C1 O27975 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.1 OCC#CC1=CC=C(F)C=C1 O27979 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.1 OCCCC1=CC=C(Br)C=C1 P39318 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.1 OCCCC1=CC=C(F)C=C1 P36540 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.1 OCCOC1=CC=C(Br)C=C1 P38648 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.1 OCCOC1=CC=C(Cl)C=C1 P40217 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.1 OCCOC1=CC=C(F)C=C1 P39022 [0,1,0,0,0,0|0,0,0]=1 112 B11R1.1 OCCOC1=CC=C(I)C=C1 P39004 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.1 OCCOC1=NC=C(Br)C=C1 N25245 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.16 CC(CCN)C1=CC=CC=C1 P38414 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.16 CC(CCN)C1=CC=NC=C1 Q58360 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.16 CCCC(=O)C1=CC=CN=C1 P40625 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.16 CCCC(N)C1=CC=CC=C1 P39016 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.16 CNCC(C)C1=CC=CC=C1 P37180 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.16 COCC(N)C1=CC=CC=C1 P40515 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 P35167 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.16 COC[C@H](N)C1=CC=CC=C1 P36845 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.16 NCCC(O)C1=CC=CC=C1 P37784 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 P35908 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 P40616 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 Q62763 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.17 BrCCCC1=CC=CC=C1Br O28828 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.17 C#CCOC1=CC=CC=C1C P37378 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.17 CC1=CC=CC=C1C#CCO O27860 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.17 CC1=CC=CC=C1CCCN P36201 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.17 CC1=CC=CC=C1OCCBr P40239 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.17 CC1=CC=CC=C1OCCN P39223 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.17 CC1=CC=CC=C1OCCO P37048 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.17 CCCNC1=NC=CC=C1N Q58286 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.17 CNCCC1=CC=CC=C1Br Q66105 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.17 CNCCC1=CC=CC=C1C P36240 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.17 CNCCC1=CC=CC=C1Cl P37635 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.17 CNCCC1=CC=CC=C1F P37905 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.17 COCOC1=C(N)C=CC=C1 L20232 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.17 COCOC1=CC=CC=C1Br Q66625 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.17 COCOC1=CC=CC=C1C Q68157 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.17 COCOC1=CC=CC=C1Cl N25780 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.17 COCOC1=CC=CC=C1F Q66727 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.17 ClC1=CC=CC=C1CCCBr P37495 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.17 ClC1=CC=CC=C1OCCBr P40241 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.17 FC1=CC=CC=C1CCCBr P41797 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.17 N#CCOC1=CC=CC=C1N P38881 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.17 NC1=CC=CC=C1OCCO P38113 [0,1,0,0,0,0|0,0,0]=1 148 B11R1.17 NCCCC1=CC=CC=C1Br P36821 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.17 NCCCC1=CC=CC=C1Cl P40265 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.17 NCCCC1=CC=CC=C1F P35165 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.17 NCCOC1=CC=CC=C1Br P39218 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.17 NCCOC1=CC=CC=C1Cl P39230 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.17 NCCOC1=CC=CC=C1F P42323 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.17 NCCOC1=NC=CC=C1Cl Q58383 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.17 NCCOC1=NC=CC=C1Cl Q58384 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.17 NCCOC1=NC=CC=C1F Q58414 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.17 NCCOC1=NC=CC=C1F Q58415 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.17 OCC#CC1=CC=CC=C1Cl O27858 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.17 OCC#CC1=CC=CC=C1F O27859 [0,1,0,0,0,0|1,0,1]=3 160 B11R1.17 OCCCC1=CC=CC=C1Cl P36965 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.17 OCCCC1=CC=CC=C1F P36169 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.17 OCCOC1=CC=CC=C1Br P38647 [0,1,0,0,0,0|0,0,0]=1 163 B11R1.17 OCCOC1=CC=CC=C1Cl P40969 [0,1,0,0,0,0|0,0,0]=1 164 B11R1.17 OCCOC1=CC=CC=C1F P39023 [0,1,0,0,0,0|0,0,0]=1 165 B11R1.17 OCCOC1=CC=CC=C1I P36652 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.24 BrCCCC1=CC(Br)=CC=C1 O28830 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.24 C#CCOC1=CC=CC(C)=C1 P37380 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.24 CC1=CC(CCCN)=CC=C1 P42846 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.24 CC1=CC(CCCO)=CC=C1 P42630 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.24 CC1=CC(OCCN)=CC=C1 P36838 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.24 CC1=CC(OCCO)=CC=C1 P41522 [0,1,0,0,0,0|0,0,0]=1 172 B11R1.24 CC1=NC(NCCN)=CC=C1 Q62433 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.24 CCCCC1=CC=CC(N)=N1 O30054 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 O34174 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.24 CCCOC1=CC(Br)=CC=C1 Q66928 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.24 CNCCC1=CC=CC(Br)=C1 P36066 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.24 CNCCC1=CC=CC(C)=C1 P41493 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.24 CNCCC1=CC=CC(Cl)=C1 P37634 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.24 CNCCC1=CC=CC(F)=C1 P37712 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.24 COCOC1=CC(Br)=CC=C1 Q66574 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.24 COCOC1=CC(Br)=CN=C1 N26942 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.24 COCOC1=CC(Cl)=CC=C1 Q66406 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.24 COCOC1=CC(F)=CC=C1 Q66728 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.24 ClC1=CC(CCCBr)=CC=C1 P35187 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.24 FC1=CC(CCCBr)=CC=C1 P40928 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.24 N#CCOC1=CC=CC(Br)=C1 P34857 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.24 N#CCOC1=CC=CC(F)=C1 P41549 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.24 N#CCOC1=CC=CC(O)=C1 P42751 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.24 NC1=CC(CCCO)=NC=C1 Q53463 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.24 NC1=CC=CC(OCCO)=C1 P37761 [0,1,0,0,0,0|0,0,0]=1 191 B11R1.24 NCCCC1=CC(O)=CC=C1 P37377 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.24 NCCCC1=CC=CC(Br)=C1 P40513 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.24 NCCCC1=CC=CC(Cl)=C1 P40264 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.24 NCCCC1=CC=CC(F)=C1 P42845 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.24 NCCCC1=CC=CC(N)=C1 P38762 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.24 NCCOC1=CC(O)=CC=C1 Q66030 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.24 NCCOC1=CC=CC(Br)=C1 P35063 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.24 NCCOC1=CC=CC(Cl)=C1 P36837 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.24 NCCOC1=CC=CC(F)=C1 P42322 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 O30477 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.24 OCC#CC1=CC=CC(F)=C1 O27862 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.24 OCCCC1=CC=CC(Br)=C1 P36802 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.24 OCCCC1=CC=CC(Cl)=C1 P39520 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.24 OCCCC1=CC=CC(F)=C1 P40929 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.24 OCCCC1=CC=CC(O)=C1 P41291 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.24 OCCOC1=CC=CC(Br)=C1 P36001 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.24 OCCOC1=CC=CC(Cl)=C1 P37049 [0,1,0,0,0,0|0,0,0]=1 208 B11R1.24 OCCOC1=CC=CC(Cl)=N1 Q58465 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.24 OCCOC1=CC=CC(F)=C1 P41246 [0,1,0,0,0,0|0,0,0]=1 210 B11R1.24 OCCOC1=CC=CC(I)=C1 P36653 [0,1,0,0,0,0|0,0,0]=1 211 B11R1.28 BrCCCCC1=CC=CC=C1 P41514 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.28 ICCCCC1=CC=CC=C1 P36870 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.28 N#CCOCC1=CC=CC=C1 P41519 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.28 NCCCOC1=CC=CC=C1 P36207 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.28 NCCCSC1=CC=CC=N1 Q58262 [0,1,0,0,0,0|2,1,0]=4 220 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [0,1,0,0,0,0|0,0,2]=3 221 B11R1.28 OCCCCC1=CC=CN=C1 P37114 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.28 OCCCCC1=CC=NC=C1 P37629 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.28 OCCCCC1=NC=CC=C1 P40417 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.40 CC(C#N)NC1=CC=CC=C1 M15456 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.40 CC(CN)SC1=CC=CC=N1 Q58359 [0,1,0,0,0,0|2,1,0]=4 228 B11R1.40 CCC(Br)CC1=CC=NC=C1 Q58440 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.40 CCC(O)CC1=CC=NC=C1 Q58397 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,1,0,0,0,0|0,0,2]=3 238 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.91 O=C(O)CNC1=NC=CC=C1 P37612 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.91 O=C(O)COC1=CC=CC=N1 P50811 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.91 O=C(O)COC1=CC=CC=N1 Q60650 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.91 O=C(O)COC1=CC=CN=C1 P35673 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.91 O=C(O)COC1=NC=CC=N1 Q60596 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P50961 [0,1,0,0,0,0|2,0,1]=4 247 B11R2.1 BrC1=COC2=CC=CC=C12 O30635 [0,0,0,1,0,0|1,0,2]=4 248 B11R2.1 CC1=NOC2=CC=CC=C21 O30125 [0,0,0,1,0,0|2,0,1]=4 249 B11R2.1 OC1=CNC2=CC=CC=C12 Q52523 [0,0,0,1,0,0|1,0,2]=4 250 B11R2.1 OC1CCC2=C1C=CN=C2 S72817 [0,0,0,1,0,0|2,0,0]=3 251 B11R2.4 NC1CC1C2=CC=CC=C2 Q54793 [0,0,0,1,0,0|2,0,0]=3 252 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 L14213 [0,0,0,1,0,0|2,0,0]=3 253 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 L22363 [0,0,0,1,0,0|2,0,0]=3 254 B11R2.20 C1=CC2=C(C=C1)OCCC2 P37892 [0,0,0,1,0,0|1,0,0]=2 255 B11R2.20 C1=CC2=C(C=N1)NCCN2 O29590 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.20 C1=CC=C2OCCNC2=C1 P37325 [0,0,0,1,0,0|1,0,0]=2 257 B11R2.20 C1=NC=C2CCCNC2=C1 P48608 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.238 C1=CC(CC2CO2)=CC=N1 Q53152 [0,0,0,1,0,0|2,0,0]=3 259 B11R2.238 C1=CC=C(NC2CC2)C=C1 M22854 [0,0,0,1,0,0|2,0,0]=3 260 B11R2.239 C1=CC=C(C2CCN2)C=C1 O28163 [0,0,0,1,0,0|2,0,0]=3 261 B11R2.239 C1=CC=C(C2CNC2)C=C1 10749 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.239 C1=CC=C(C2CNC2)C=C1 M22666 [0,0,0,1,0,0|3,0,0]=4 263 B9R1.12 BrCCCC1=CC=CS1 P38955 [0,0,0,0,1,0|3,0,0]=4 264 B9R1.12 BrCCCC1=CSC=C1 P42249 [0,0,0,0,1,0|3,0,0]=4 265 B9R1.12 NCCCC1=CC=CS1 P37165 [0,0,0,0,1,0|3,0,0]=4 266 B9R1.12 OCCCN1C=CC=C1 O31138 [0,0,0,0,1,0|2,0,0]=3 267 B8R1.2 BrCC1=CC=CN=C1 P36550 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 COC1=CN=CN=C1 M15459 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 ICC1=CC=CC=C1 P37031 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 NCC1=CC=NC=C1 O30621 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 OCC1=CC=CN=N1 C-2224 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 OCC1=CC=NC=N1 C-2228 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 OCC1=CC=NN=C1 C-2213 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 OCC1=CN=CC=N1 C-2217 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 OCC1=CN=CN=C1 C-2215 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 OCC1=NC=CC=N1 C-2220 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.1 BrC1=CC=C(CCI)C=C1 P35777 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.1 BrCCC1=CC=C(Br)C=C1 P40516 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.1 C=COC1=CC=C(Br)C=C1 N25160 [1,1,0,0,0,0|0,0,2]=4 280 B10R1.1 CC1=CC=C(CCN)N=C1 Q58444 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.1 CCCC1=CC=C(N)N=C1 Q52924 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.1 CCNC1=CC=C(Br)C=C1 P36614 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.1 CCNC1=CC=C(Cl)C=C1 P41554 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.1 CCNC1=CC=C(F)C=C1 O32514 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.1 CCNC1=CC=C(N)C=C1 P37237 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.1 CCNC1=CC=C(N)C=N1 Q58250 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.1 CCNC1=NC=C(Br)C=C1 P35747 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.1 CCOC1=CC=C(F)C=C1 M23303 [1,1,0,0,0,0|0,0,0]=2 289 B10R1.1 CCOC1=CN=C(Br)N=C1 G-7966 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.1 CCOC1=CN=C(Cl)N=C1 C-2932 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.1 CCOC1=CN=C(N)C=N1 O31636 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.1 CCOC1=NC=C(Cl)C=C1 N25842 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.1 CCOC1=NC=C(F)C=C1 N24463 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.1 CCOC1=NN=C(Cl)C=C1 Q68250 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.1 CNCC1=CC=C(Cl)C=C1 P42874 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.1 CNCC1=CC=C(N)C=C1 P38425 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.1 CNCC1=CC=C(O)C=C1 P36065 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.1 COCC1=CC=C(Br)C=C1 Q67196 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.1 FC1=CC=C(CCBr)C=C1 I-9285 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 NCCC1=CC=C(Cl)N=C1 P37543 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.1 NCCC1=CC=C(F)C=N1 Q58446 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.1 NCCC1=CC=C(I)C=C1 P36354 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.1 NCCC1=NC=C(Br)C=C1 G-5600 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.1 NNCC1=CC=C(Br)C=C1 C-3250 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.1 NNCC1=CC=C(Br)C=C1 I-9319 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.1 NNCC1=CC=C(Cl)C=C1 C-3251 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.1 NNCC1=CC=C(Cl)C=C1 Q51808 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.1 NNCC1=CC=C(F)C=C1 C-3247 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.1 NOCC1=CC=C(Cl)C=C1 O31868 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.1 NOCC1=CC=C(F)C=C1 10767 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.1 OCCC1=NC=C(Br)C=C1 G-5598 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.1 OCCC1=NC=C(F)C=C1 O33379 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.4 BrCCC1=CC=CC=C1Br O28100 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.4 CC1=CC=CC=C1CCBr O28115 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.4 CC1=CC=CN=C1CCN P35791 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.4 CCCC1=C(C)C=CN=C1 N27219 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.4 CCNC1=CC=CC=C1Br P36583 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.4 CCNC1=CC=CC=C1Cl P41555 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.4 CCNC1=CC=CC=C1F P39148 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.4 CCNC1=CC=CC=C1N P39464 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.4 CCNC1=CN=CC=C1C Q58450 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.4 CCOC1=C(N)C=CN=C1 O29937 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.4 CCOC1=CC=CN=C1F N26164 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.4 CCOC1=NC=CC=C1Br N24847 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.4 CCOC1=NC=CC=C1Cl N25582 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.4 CCOC1=NC=CC=C1I P36178 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.4 CCOC1=NC=CC=C1N P37716 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.4 CCOC1=NC=CC=C1O O31077 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.4 CCOC1=NC=NC=C1N P51199 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.4 CNCC1=CC=CC=C1C P35580 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.4 CNCC1=CC=CC=C1N P40191 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.4 COCC1=CC=CC=C1Br Q67462 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.4 NC1=C(CCF)C=NC=C1 Q65355 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.4 NCCC1=C(Br)C=CC=N1 L13097 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.4 NCCC1=CC=CC=C1N P42500 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.4 NCCC1=CC=CC=C1O M22991 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.4 NCCC1=NC=CC=C1F Q58445 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.4 NNCC1=C(Br)C=CC=C1 G-5141 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.4 NNCC1=C(Br)C=CC=C1 Q51807 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.4 NNCC1=C(Cl)C=CC=C1 C-3252 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.4 NNCC1=C(F)C=CC=C1 C-3249 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.4 OC1=CC=CC=C1CCBr P37343 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.4 OCCC1=C(Cl)C=NC=C1 Q69549 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.4 OCCC1=CC=CC=C1O P36102 [1,1,0,0,0,0|0,0,0]=2 345 B10R1.4 OCCC1=NC=CC=C1F L14825 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.10 CC1=CC(CCBr)=CC=C1 P40673 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.10 CC1=CC(CCCl)=CC=C1 P38353 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.10 CC1=CC(CCI)=CC=C1 M23009 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.10 CC1=CC(CCN)=CC=C1 P37429 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.10 CC1=CC(CCN)=NC=C1 Q53269 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.10 CC1=CC=CC(CCO)=N1 Q52530 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.10 CC1=CN=CC(CCN)=C1 Q64732 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.10 CC1=CN=CC(CCO)=C1 Q64733 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.10 CC1=NC=CC(CCN)=C1 O31989 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.10 CCCC1=CC=CC(N)=C1 M23710 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.10 CCCC1=CC=CC(N)=N1 O31120 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.10 CCNC1=CC=CC(Br)=C1 P38317 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.10 CCNC1=CC=CC(Cl)=C1 P41014 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.10 CCNC1=CC=CC(F)=C1 P39149 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.10 CCOC1=CC(Br)=NC=C1 Q52481 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.10 CCOC1=CC(C)=CN=C1 N27267 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.10 CCOC1=CC(Cl)=NC=C1 N24567 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.10 CCOC1=CC=CC(F)=C1 Q66827 [1,1,0,0,0,0|0,0,0]=2 364 B10R1.10 CCOC1=CC=CC(N)=N1 O30214 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.10 CCOC1=CC=NC(=O)N1 Q70091 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.10 CCOC1=NC=CC(Br)=C1 N24697 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.10 CCOC1=NC=CC(I)=C1 N26426 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.10 CCOC1=NC=CC(N)=C1 P51356 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.10 CCOC1=NC=CC(N)=N1 O31834 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.10 CNCC1=CC(O)=CC=C1 P42117 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.10 CNCC1=CC=CC(C)=C1 P38357 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.10 COCC1=CC(Br)=CC=C1 Q67458 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.10 FC1=CC(CCBr)=CC=C1 P39371 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.10 FC1=CN=CC(CCBr)=C1 Q64580 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.10 N#CCC1=CC=CC(N)=C1 P37983 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.10 NC1=CC(CCO)=CC=C1 O31199 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.10 NC1=CC(CCO)=NC=C1 Q53462 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.10 NCCC1=CC(Br)=NC=C1 H-8231 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.10 NCCC1=CC(F)=CN=C1 Q64579 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.10 NCCC1=CC(O)=CC=C1 M23068 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.10 NCCC1=CC=CC(Cl)=C1 G-6963 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.10 NCCC1=CC=CC(I)=C1 P34955 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.10 NCCC1=CC=CC(N)=C1 P36157 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.10 NCCC1=NC=CC(F)=C1 Q53270 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.10 NNCC1=CC(Cl)=CC=C1 Q51809 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.10 NNCC1=CC(F)=CC=C1 C-3248 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.10 NNCC1=CC(F)=CC=C1 Q51806 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.10 NNCC1=CC=CC(Br)=C1 L20978 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.10 OCCC1=CC(F)=CN=C1 Q64578 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.10 OCCC1=CC=CC(O)=C1 P41607 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.10 OCCC1=NC(Cl)=CC=C1 Q69232 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.10 OCCC1=NC=CC(Br)=C1 S72505 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.15 NC(CO)C1=CC=NC=C1 Q53510 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.15 NCC(O)C1=CC=CN=C1 O32747 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.15 NCC(O)C1=CC=CN=C1 P43089 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.15 NCC(O)C1=CC=NC=C1 P35258 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.15 NCC(O)C1=NC=CC=C1 P35259 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.15 OC(CCl)C1=CC=CN=C1 O32660 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.18 FC(F)OC1=NC=CC=C1 O32452 [1,1,0,0,0,0|2,0,0]=4 411 B12R1.1 BrC1=CC=C(CCCCI)C=C1 M23180 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.1 BrCCCCC1=CC=C(Br)C=C1 P35349 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.1 CC1=CC=C(CCCCBr)C=C1 P34730 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.1 CC1=CC=C(CCCCI)C=C1 M23181 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.1 CC1=CC=C(CCCCN)C=C1 P40979 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.1 CC1=CC=C(CCCCO)C=C1 P37587 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.1 CC1=CC=C(CNCCO)C=C1 P38262 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.1 CCCNCC1=CC=C(Br)C=C1 P41052 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.1 CCCNCC1=CC=C(C)C=C1 P38355 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 P37471 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.1 CCCNCC1=CC=C(F)C=C1 P36342 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.1 CNCCCC1=CC=C(Br)C=C1 P35409 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.1 CNCCCC1=CC=C(F)C=C1 P37997 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.1 CNCCOC1=CC=C(N)C=C1 P39260 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.1 COCCNC1=NC=C(Br)C=C1 P43111 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.1 COCCOC1=CC=C(N)C=C1 P38759 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.1 COCCOC1=NC=C(Br)C=C1 N24356 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.1 ClC1=CC=C(CCCCBr)C=C1 M22750 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.1 ClC1=CC=C(CCCCI)C=C1 M22752 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 P39095 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.1 FC1=CC=C(CCCCBr)C=C1 M22793 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.1 FC1=CC=C(CCCCI)C=C1 M22744 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.1 FC1=CC=C(OCCCBr)C=C1 P42593 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.1 NCCCCC1=CC=C(Br)C=C1 P42241 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.1 NCCCCC1=CC=C(F)C=C1 P41110 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.1 NCCCCC1=CC=C(I)C=C1 P41122 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.1 NCCCCC1=CC=C(O)C=C1 P39592 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.1 NCCCOC1=CC=C(F)C=C1 P42484 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.1 OCCCCC1=CC=C(Br)C=C1 P36218 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.1 OCCCCC1=CC=C(Cl)C=C1 P40038 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.1 OCCCCC1=CC=C(F)C=C1 P38247 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.1 OCCNCC1=CC=C(Br)C=C1 P36123 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.1 OCCNCC1=CC=C(Cl)C=C1 P38261 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.1 OCCNCC1=CC=C(F)C=C1 P39606 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 P36618 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 P42260 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 P42755 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.16 CN(CCO)C1=NC=C(N)C=C1 Q57086 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 P36052 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 P36616 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 P37084 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 P35426 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 P42566 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 P35435 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 P39529 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 P42268 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.16 N[C@H](CCO)C1=CC=C(Cl)C=C1 P42266 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 P39530 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.16 OCCC(O)C1=CC=C(Br)C=C1 P39649 [0,2,0,0,0,0|1,0,0]=3 460 B12R1.21 CC(C)COC1=CC=C(Br)C=C1 N25559 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.21 CC(C)COC1=CC=C(F)C=C1 N26826 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.21 CC(C)COC1=NC=C(Br)C=C1 Q67764 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.21 CC(N)COC1=CC=C(Br)C=C1 P36534 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 P39492 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.21 CC(N)COC1=CC=C(F)C=C1 P42374 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 P39657 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 P39024 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 P37247 [0,2,0,0,0,0|0,0,2]=4 469 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [0,2,0,0,0,0|1,0,1]=4 470 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [0,2,0,0,0,0|1,0,1]=4 471 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 P41622 [0,2,0,0,0,0|1,0,1]=4 472 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 P37505 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 P38616 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.21 O=C(O)COC1=NC=C(Cl)C=C1 Q60704 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.49 CC(CN)OC1=CC=C(Cl)C=C1 P40582 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.49 NC(CO)CC1=CC=C(Br)C=C1 P35633 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 P38593 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.49 NC(CO)CC1=CC=C(F)C=C1 P38588 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.49 NC1=CC=C(NC(=O)CO)C=C1 P40684 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 P39975 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 P38643 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 M23085 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 P36332 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 P39974 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 P40016 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 P37803 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.69 CCCOC1=CC=C(Br)C=C1Cl Q67556 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.69 CCCOC1=CC=C(F)C=C1Br Q67430 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.69 CCCOC1=CC=C(F)C=C1F N26501 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.69 COCOC1=CC=C(Br)C=C1Br Q67623 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.69 COCOC1=CC=C(Br)C=C1C Q68116 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.69 COCOC1=CC=C(Br)C=C1Cl Q67391 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.69 COCOC1=CC=C(Br)C=C1F Q66736 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.69 COCOC1=CC=C(C)C=C1Br Q66740 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.69 COCOC1=CC=C(Cl)C=C1F Q66890 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.69 COCOC1=CC=C(F)C=C1Br Q67117 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.69 COCOC1=CC=C(F)C=C1Cl Q67017 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.69 COCOC1=CC=C(F)C=C1F Q66869 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.69 FC1=CC=C(CCCBr)C(F)=C1 P42800 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.69 NCCCC1=CC=C(Cl)C=C1Cl P41145 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.69 NCCCC1=CC=C(F)C=C1F P38446 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.69 NCCOC1=CC=C(Cl)C=C1Cl P42342 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.69 NCCOC1=NC=C(Cl)C=C1Cl Q58389 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.69 NCCOC1=NC=C(Cl)C=C1Cl Q58390 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.69 OCCCC1=CC=C(F)C=C1F P34818 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.71 C#CC1=CC=C(OCCC)C=C1 P38335 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.71 C#CCOC1=CC=C(OC)C=C1 P40611 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.71 C=CCOC1=CC=C(C=O)C=C1 P38204 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.71 C=CCOC1=CC=C(OC)C=C1 P41609 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.71 CCC1=CC=C(CCCO)C=C1 O28817 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.71 CCC1=CC=C(OCCN)C=C1 P36697 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.71 CCC1=CC=C(OCCO)C=C1 P37522 [0,2,0,0,0,0|0,0,0]=2 515 B12R1.71 COC1=CC=C(C#CCO)C=C1 O27972 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.71 COC1=CC=C(CCCBr)C=C1 O28114 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.71 COC1=CC=C(CCCI)C=C1 O28095 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.71 COC1=CC=C(CCCN)C=C1 P38522 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.71 COC1=CC=C(CCCO)C=C1 P37549 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.71 COC1=CC=C(NCCN)C=C1 P39417 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.71 COC1=CC=C(OCCN)C=C1 P37768 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.71 COC1=CC=C(OCCO)C=C1 P37559 [0,2,0,0,0,0|0,0,0]=2 523 B12R1.71 COCOC1=CC=C(OC)C=C1 Q68165 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.71 CSC1=CC=C(OCCN)C=C1 P42324 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.71 N#CC1=CC=C(OCCN)C=C1 P36696 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.71 N#CCOC1=CC=C(C=O)C=C1 P38390 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 Q69372 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.71 O=CC1=CC=C(OCCF)C=C1 Q69754 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.71 OCC1=CC=C(OCCF)C=C1 Q69755 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.71 OCC1=CC=C(OCCF)N=C1 Q69765 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.385 CC1=CC(OCCN)=CC=C1Cl P36839 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.385 CC1=CC=C(CCCN)C=C1C P41304 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.385 CC1=CC=C(OCCBr)C=C1C P38742 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.385 CC1=CC=C(OCCN)C=C1C M23033 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.385 CC1=CC=C(SCCO)C=C1Br O31390 [0,2,0,0,0,0|0,1,0]=3 536 B12R1.385 CCCOC1=CC=C(Br)C(F)=C1 Q67470 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.385 CCCOC1=CC=C(C)C(Br)=C1 N26854 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 O31767 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.385 COCOC1=CC=C(Br)C(C)=C1 Q66701 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.385 COCOC1=CC=C(Br)C(Cl)=C1 Q66930 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.385 COCOC1=CC=C(Br)C(F)=C1 Q67490 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.385 COCOC1=CC=C(C)C(Br)=C1 Q66703 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.385 COCOC1=CC=C(C)C(F)=C1 Q67160 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.385 COCOC1=CC=C(Cl)C(Cl)=C1 Q68342 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.385 COCOC1=CC=C(F)C(F)=C1 Q66975 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.385 FC1=CC=C(CCCBr)C=C1F P42798 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.385 NCCCC1=CC=C(Cl)C(Cl)=C1 P36171 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.385 NCCCC1=CC=C(Cl)C(F)=C1 P37976 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.385 NCCCC1=CC=C(F)C(F)=C1 P38447 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.385 NCCCC1=CC=C(O)C(O)=C1 P37643 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.385 OCCCC1=CC=C(F)C(F)=C1 P38961 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.17 CC1=CC(C(N)CCO)=CC=C1 P36619 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 P39716 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.17 NC(CCO)C1=CC=CC(Br)=C1 P36053 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 O30501 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.17 NC(CCO)C1=CC=CC(F)=C1 P36600 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 P42271 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 P42264 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.17 N[C@H](CCO)C1=CC=CC(Cl)=C1 P42256 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 Q69139 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.30 CC(NCCN)C1=CC=CC=C1 L20203 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.30 CC(NCCO)C1=CC=CC=N1 Q58298 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.30 CC(NCCO)C1=CC=CN=C1 Q58296 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.30 CC(NCCO)C1=CC=NC=C1 Q58297 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.30 COCCC(N)C1=CC=CC=C1 P38104 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.30 NC(CCCO)C1=CC=CC=C1 Q65498 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.30 NCCNC(=O)C1=CC=CC=C1 P41078 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.39 CC(C)(CCBr)C1=CC=CC=C1 L19577 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 L20303 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 P38384 [0,2,0,0,0,0|1,1,0]=4 571 B12R1.39 O=S(=O)(CCBr)C1=CC=CC=C1 P38378 [0,2,0,0,0,0|1,1,0]=4 572 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.308 CCCC(=O)C1=CC=CC=C1Cl P39717 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.308 NC(CCO)C1=CC=CC=C1Br P40578 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.308 NC(CCO)C1=CC=CC=C1Cl P39744 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.308 NC(CCO)C1=CC=CC=C1F P37085 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.25 COCOC1=C(Br)C(F)=CC=C1 Q68019 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.25 COCOC1=C(F)C(Cl)=CC=C1 Q68473 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.25 COCOC1=C(F)C(F)=CC=C1 Q67401 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.25 COCOC1=CC=CC(F)=C1C Q66753 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.25 NCCCC1=C(O)C(O)=CC=C1 P36042 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.25 NCCOC1=CC=CC(Cl)=C1Cl P36654 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.25 OCCCC1=CC=CC(F)=C1F P42804 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.121 C#CCOC1=CC=CC=C1C=O O28023 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.121 C=CCOC1=CC=CC=C1C=O P39042 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.121 CCCOC1=C(CN)C=CN=C1 O29382 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.121 CCCOC1=CC=CC=C1CN P38437 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.121 CCCOC1=CC=CC=C1NC P41744 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.121 COC1=CC=CC=C1CCCBr P38426 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.121 COC1=CC=CC=C1CCCN P40262 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.121 COC1=CC=CC=C1CCCO O28919 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.121 COC1=CC=CC=C1OCC#N P36658 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.121 COC1=CC=CC=C1OCCO P40365 [0,2,0,0,0,0|0,0,0]=2 594 B12R1.121 COCOC1=CC=CC=C1OC Q68166 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.121 CSC1=CC=CC=C1OCCN P36386 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.121 NCC1=C(OCCO)C=NC=C1 O29356 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.125 CC(C)CNC1=C(Br)C=CC=C1 F-4601 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.125 CC(C)CNC1=C(N)C=CC=C1 L20241 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.125 CC1=CC=CC=C1NCC(=O)O M22929 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.125 O=C(O)CNC1=CC=CC=C1Br P38198 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.125 O=C(O)CNC1=CC=CC=C1F P37600 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.125 O=C(O)COC1=CC=CC=C1Cl M22951 [0,2,0,0,0,0|0,0,1]=3 603 B12R1.125 O=C(O)COC1=NC=CC=C1F Q70039 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.267 BrC1=CC=CC=C1CCCCI M22797 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.267 BrCCCCC1=CC=CC=C1Br M22738 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.267 CC1=CC=CC=C1CCCCBr M22735 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.267 CC1=CC=CC=C1CCCCN P40980 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.267 CC1=CC=CC=C1CCCCO P40090 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.267 CCCCOC1=CC=CC=C1Br N24203 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.267 CCCNCC1=CC=CC=C1Br P35971 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.267 CCCNCC1=CC=CC=C1C P35973 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.267 CCCNCC1=CC=CC=C1Cl P35972 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.267 CCCNCC1=CC=CC=C1F P36959 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.267 CNCCOC1=CC=CC=C1Cl P36535 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.267 COCCNC1=CC=NC=C1N Q58288 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.267 COCCOC1=CC=CC=C1N P36396 [0,2,0,0,0,0|0,0,0]=2 617 B12R1.267 ClC1=CC=CC=C1CCCCBr M22795 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.267 FC1=CC=CC=C1CCCCBr M22739 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.267 FC1=CC=CC=C1CCCCI M22995 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.267 NCCCCC1=CC=CC=C1Br P40430 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.267 NCCCCC1=CC=CC=C1Cl P37368 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.267 NCCCCC1=CC=CC=C1F P43044 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.267 NCCNCC1=CC=CC=C1F P34851 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.267 OCCCCC1=CC=CC=C1Br P42135 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.267 OCCCCC1=CC=CC=C1Cl P35217 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.267 OCCCCC1=CC=CC=C1F P39372 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.371 CC(CN)OC1=CC=CC=C1Cl P35408 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.371 CC1=CC=CC=C1CC(N)CO P38592 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.371 CC1=CC=CC=C1C[C@H](N)CO P34976 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.371 NC(CO)CC1=CC=CC=C1Br P41931 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.371 NC(CO)CC1=CC=CC=C1Cl P38433 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.371 NC(CO)CC1=CC=CC=C1F P40521 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.371 N[C@@H](CO)CC1=CC=CC=C1Cl P42911 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl P42910 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F P41132 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.374 CCCOC1=CC(F)=CC=C1Br Q68052 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.374 COCOC1=C(F)C=CC(Br)=C1 N26823 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.374 COCOC1=CC(Br)=CC=C1C O29116 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.374 COCOC1=CC(C)=CC=C1Br Q68073 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.374 COCOC1=CC(F)=CC=C1Br Q67338 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.374 COCOC1=CC(F)=CC=C1C Q66966 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.374 COCOC1=CC(F)=CC=C1F Q68138 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.374 FC1=CC=C(F)C(CCCBr)=C1 P42799 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.374 NC1=CC=C(F)C=C1OCCO P42988 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.374 OCCCC1=CC(F)=CC=C1F P35584 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.1631 COCOC1=C(Br)C=CC=C1Br Q67031 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.1631 COCOC1=C(Cl)C=CC=C1Cl Q67799 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.1631 COCOC1=C(F)C=CC=C1Br Q67073 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.1631 COCOC1=C(F)C=CC=C1Cl Q67868 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.1631 COCOC1=C(I)C=CC=C1F Q67857 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.28 BrCCCCC1=CC=CC(Br)=C1 M22716 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.28 C=CCOCC1=CC=CC(Br)=C1 N25493 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.28 CC1=CC(CCCCBr)=CC=C1 M22773 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.28 CC1=CC(CCCCI)=CC=C1 M22749 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.28 CC1=CC(CCCCN)=CC=C1 P41305 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.28 CC1=CC(CCCCO)=CC=C1 P37676 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.28 CCCNCC1=CC(Br)=CC=C1 N24121 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.28 CCCNCC1=CC=CC(C)=C1 P40841 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 P38354 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.28 CCCNCC1=CC=CC(F)=C1 P35256 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.28 CNCCOC1=CC=CC(F)=C1 P35491 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.28 COCCNC1=NC=CC(N)=C1 P35340 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.28 COCCOC1=CC(Br)=CN=C1 N24628 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.28 COCCOC1=CC(I)=CC=C1 P38376 [0,2,0,0,0,0|0,0,0]=2 665 B12R1.28 COCCOC1=CC(N)=CC=C1 P42657 [0,2,0,0,0,0|0,0,0]=2 666 B12R1.28 ClC1=CC(CCCCBr)=CC=C1 M22733 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.28 FC1=CC(CCCCBr)=CC=C1 M22740 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.28 NC1=CC(OCCCO)=CC=C1 P42246 [0,2,0,0,0,0|0,0,0]=2 669 B12R1.28 NCCCCC1=CC=CC(Cl)=C1 P40368 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.28 NCCCCC1=CC=CC(F)=C1 P41608 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.28 OCCCCC1=CC=CC(Br)=C1 P39680 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.28 OCCCCC1=CC=CC(Cl)=C1 P36219 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.28 OCCCCC1=CC=CC(F)=C1 P36220 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.28 OCCCOC1=CC=CC(Cl)=N1 Q58466 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.50 CC1=CC(CC(N)CO)=CC=C1 P38591 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.50 CC1=CC(C[C@@H](N)CO)=CC=C1 P36120 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.50 NC(CO)CC1=CC=CC(Br)=C1 P39329 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.50 NC(CO)CC1=CC=CC(Cl)=C1 P38434 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 P38589 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.50 N[C@@H](CO)CC1=CC=CC(F)=C1 P36121 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 P37966 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 P34978 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 P34977 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.100 C#CCOC1=CC(Br)=CC(Br)=C1 O28996 [0,2,0,0,0,0|1,0,1]=4 685 B12R1.100 C#CCOC1=CC(F)=CC(F)=C1 P38008 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.100 CC1=CC(C)=CC(CCCN)=C1 P41303 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.100 CCCOC1=CC(Br)=CC(Br)=C1 O29127 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.100 COCOC1=CC(Br)=CC(Br)=C1 O29068 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.100 COCOC1=CC(Cl)=CC(Br)=C1 Q67420 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.100 COCOC1=CC(F)=CC(Br)=C1 Q67144 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.100 COCOC1=CC(F)=CC(F)=C1 Q66861 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.100 FC1=CC(F)=CC(CCCBr)=C1 P35595 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.100 NCCCC1=CC(F)=CC(F)=C1 P42825 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.100 NCCOC1=CC(Cl)=CC(Cl)=C1 P36644 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.100 OCCCC1=CC(F)=CC(F)=C1 P42826 [0,2,0,0,0,0|1,0,0]=3 696 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 P40758 [0,2,0,0,0,0|0,0,1]=3 698 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [0,2,0,0,0,0|1,0,1]=4 699 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 P38138 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 O28084 [0,2,0,0,0,0|0,0,1]=3 702 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 P38226 [0,2,0,0,0,0|0,0,1]=3 703 B12R1.382 C#CCOC1=CC=CC(OC)=C1 P38172 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.382 C=CCOC1=CC(C=O)=CC=C1 O31876 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.382 CCCOC1=CC(CN)=CC=N1 Q58138 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.382 COC1=CC(C#CCO)=CC=C1 O27863 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.382 COC1=CC(CCCBr)=CC=C1 P36566 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.382 COC1=CC(CCCN)=CC=C1 P40261 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.382 COC1=CC(CCCO)=CC=C1 O28944 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.382 COC1=CC(OCCN)=CC=C1 P36840 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.382 COC1=CC(OCCO)=CC=C1 P38700 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.382 COCOC1=CC(OC)=CC=C1 Q67624 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.8 CNCCCOC1=CC=CC=C1 P41683 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.8 CNCCOCC1=CC=CC=C1 P36478 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.8 CNCCOCC1=CC=CC=C1 P36772 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.8 NCCCCCC1=CC=CC=C1 P40466 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.8 NCCCCOC1=CC=CN=C1 L20687 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.8 NCCCOCC1=CC=CC=C1 P40697 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.8 O=C=NCCOC1=CC=CC=C1 L21183 [0,2,0,0,0,0|0,0,1]=3 720 B12R1.8 OCCCCOC1=CC=CC=C1 P40161 [0,2,0,0,0,0|0,0,0]=2 721 B12R1.8 OCCCNCC1=NC=CC=C1 P36562 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.8 OCCOCCC1=CC=CC=C1 P36349 [0,2,0,0,0,0|0,0,0]=2 723 B12R1.27 C#CC(O)CCC1=CC=CC=C1 L19306 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.27 CC(CO)NCC1=CC=CC=N1 Q58145 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.27 CC(CO)NCC1=CC=CN=C1 Q58150 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.27 CC(CO)NCC1=CC=NC=C1 Q58149 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [0,2,0,0,0,0|0,0,0]=2 729 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,2,0,0,0,0|1,0,1]=4 730 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.27 OC(CCl)COC1=CC=CC=C1 O34043 [0,2,0,0,0,0|0,0,0]=2 733 B12R1.32 CN(CCN)CC1=CC=CC=C1 P41340 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.32 CONC(C)CC1=CC=CC=C1 O31441 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [0,2,0,0,0,0|0,0,0]=2 740 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [0,2,0,0,0,0|0,0,1]=3 741 B12R1.118 NCC(CO)CC1=CC=CN=C1 Q58251 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.118 NCC(CO)CC1=CC=NC=C1 Q58252 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.194 C[C@@](N)(CO)CC1=CC=CC=C1 10161 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 P40576 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.891 FC(F)(F)COC1=CC=NC=C1 L18762 [0,2,0,0,0,0|2,0,0]=4 746 B10R2.6 C1=CC(C2CC2)=CC=N1 N25361 [1,0,0,1,0,0|2,0,0]=4 747 B10R2.6 C1=CC=C(C2CN2)C=C1 P41085 [1,0,0,1,0,0|1,0,0]=3 748 B10R2.6 C1=CN=C(C2CC2)C=C1 K12338 [1,0,0,1,0,0|2,0,0]=4 749 B10R2.7 B1OC2=C(C=CC=C2)O1 P39136 [1,0,0,1,0,0|1,0,0]=3 750 B10R2.7 C1=CC=C2CNCC2=C1 P44607 [1,0,0,1,0,0|2,0,0]=4 751 B10R2.7 C1=CN=C2CCNC2=C1 O29585 [1,0,0,1,0,0|2,0,0]=4 752 B10R2.7 C1=CN=C2NCCC2=C1 C-3425 [1,0,0,1,0,0|2,0,0]=4 753 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [1,0,0,1,0,0|1,0,0]=3 754 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 G-6479 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 P38383 [0,1,0,1,0,0|1,0,0]=3 756 B12R2.24 BrC1=CC=C2NCCOC2=C1 O34410 [0,1,0,1,0,0|1,0,0]=3 757 B12R2.24 BrC1=CN=C2OCCNC2=C1 S72702 [0,1,0,1,0,0|2,0,0]=4 758 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 P44709 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.24 IC1=CC2=C(C=C1)OCCC2 P36651 [0,1,0,1,0,0|1,0,0]=3 760 B12R2.24 IC1=CC=C2CCCNC2=C1 N25660 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.24 NC1CNC2=C(C=CC=C2)C1 O32222 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.24 NC1COC2=C(C=CC=C2)C1 O34395 [0,1,0,1,0,0|1,0,0]=3 763 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 O34281 [0,1,0,1,0,0|1,0,0]=3 764 B12R2.24 N[C@H]1COC2=C(C=CC=C2)C1 O34576 [0,1,0,1,0,0|1,0,0]=3 765 B12R2.24 OC1=CC=C2OCCOC2=C1 O33980 [0,1,0,1,0,0|0,0,0]=2 766 B12R2.24 OC1CNC2=C(C=CC=C2)C1 O33538 [0,1,0,1,0,0|1,0,0]=3 767 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [0,1,0,1,0,0|1,0,0]=3 768 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 O33190 [0,1,0,1,0,0|1,0,0]=3 769 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [0,1,0,1,0,0|1,0,0]=3 770 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 O33189 [0,1,0,1,0,0|1,0,0]=3 771 B12R2.79 CC1=CC=C(C2CC2N)C=C1 Q69960 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.79 FC1=CC=C(C2CC2Br)C=C1 O29607 [0,1,0,1,0,0|2,0,0]=4 773 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 O34315 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 Q69959 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 Q69961 [0,1,0,1,0,0|2,0,0]=4 776 B12R2.79 NC1CC1C2=CC=C(F)C=C2 O34585 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 O34571 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 O34573 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(O)C=C2 L14742 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.132 CC1=CC2=C(C=C1)CCC2N P38544 [0,1,0,1,0,0|2,0,0]=4 781 B12R2.132 NC1CCC2=C1C=C(Br)C=C2 P42338 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 P36711 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.132 NC1CCC2=C1C=C(F)C=C2 M23347 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 L18503 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.132 O=C1COC2=CC=C(Br)C=C12 B-1771 [0,1,0,1,0,0|0,0,2]=4 786 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 B-1796 [0,1,0,1,0,0|0,0,2]=4 787 B12R2.132 O=C1COC2=CC=C(F)C=C12 B-1139 [0,1,0,1,0,0|0,0,2]=4 788 B12R2.132 OC1CCC2=C1C=C(Cl)C=C2 P37662 [0,1,0,1,0,0|1,0,0]=3 789 B12R2.132 OC1CCC2=CC=C(Br)C=C21 N24956 [0,1,0,1,0,0|1,0,0]=3 790 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 P38401 [0,1,0,1,0,0|1,0,0]=3 791 B12R2.294 FC1=CC=C(NC2CC2)C=C1 P41523 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 N25053 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.2302 NC1=CC=C(N2CCC2)C=C1 P38671 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.2302 OC1=CC=C(C2CCC2)C=C1 N25921 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.2 C1=CC=C(C2CCCN2)C=C1 Q55561 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.2 C1=CC=C(C2CCCO2)C=C1 G-5955 [0,1,0,1,0,0|1,0,0]=3 797 B12R2.2 C1=CC=C(C2CCNC2)C=C1 L13987 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P44791 [0,1,0,1,0,0|2,0,0]=4 799 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 L14895 [0,1,0,1,0,0|2,0,0]=4 800 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 10698 [0,1,0,1,0,0|2,0,0]=4 801 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 L22374 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.22 NC1CN(C2=CC=CC=C2)C1 L21688 [0,1,0,1,0,0|2,0,0]=4 804 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [0,1,0,1,0,0|2,0,0]=4 805 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [0,1,0,1,0,0|2,0,0]=4 806 B12R2.22 OC1CN(C2=CC=CC=C2)C1 L18106 [0,1,0,1,0,0|1,0,0]=3 807 B12R2.27 N#CC1CC1C2=CC=CC=C2 P43268 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 M15885 [0,1,0,1,0,0|2,0,0]=4 809 B12R2.27 NCC1CC1C2=CC=CC=C2 L19913 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.27 O=CC1CC1C2=CC=CC=C2 L20873 [0,1,0,1,0,0|1,0,1]=4 811 B12R2.27 OCC1CC1C2=CC=CC=C2 P51570 [0,1,0,1,0,0|1,0,0]=3 812 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P40536 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P42329 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.1081 BrC1=C2CCCNC2=CC=C1 I-9935 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.1081 NC1=C2OCCOC2=CC=C1 C-2956 [0,1,0,1,0,0|0,0,0]=2 816 B12R2.1081 NC1CCOC2=CC=CC=C21 P37556 [0,1,0,1,0,0|1,0,0]=3 817 B12R2.1081 NC1COCC2=C1C=CC=C2 G-7548 [0,1,0,1,0,0|1,0,0]=3 818 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 O34575 [0,1,0,1,0,0|1,0,0]=3 819 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 O34290 [0,1,0,1,0,0|1,0,0]=3 820 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B-1121 [0,1,0,1,0,0|1,0,1]=4 821 B12R2.1081 O=C1CCNC2=C1C=CC=C2 O34422 [0,1,0,1,0,0|1,0,1]=4 822 B12R2.1081 O=C1COCC2=CC=CC=C12 C-2359 [0,1,0,1,0,0|0,0,2]=4 823 B12R2.1081 OC1=C2NCCCC2=CC=C1 10586 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.1081 OC1CCCC2=C1N=CC=C2 P43430 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 P39493 [0,1,0,1,0,0|2,0,0]=4 826 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 P51521 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.32 NCC1=CC2=CC=CC=C2O1 P38438 [0,1,0,1,0,0|1,0,1]=4 828 B12R2.32 OCC1=CC2=CC=CC=C2O1 P37484 [0,1,0,1,0,0|0,0,1]=3 829 B12R2.32 OCC1=CC2=NC=CC=C2O1 Q64344 [0,1,0,1,0,0|1,0,1]=4 830 B12R2.32 OCC1=NC2=CC=CC=C2S1 P38432 [0,1,0,1,0,0|0,1,1]=4 831 B12R2.32 OCC1CC2=C(C=CC=C2)N1 M23283 [0,1,0,1,0,0|1,0,0]=3 832 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 I-9423 [0,1,0,1,0,0|1,0,0]=3 833 B12R2.115 NC1CC1C2=CC=CC=C2F Q70161 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.196 CC1=CC=CC2=C1CCC2N M22843 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.196 NC1CCC2=C1C=CC=C2Br L22472 [0,1,0,1,0,0|2,0,0]=4 836 B12R2.196 NC1CCC2=C1C=CC=C2Cl P36710 [0,1,0,1,0,0|2,0,0]=4 837 B12R2.196 NC1CCC2=C1C=CC=C2F M23042 [0,1,0,1,0,0|2,0,0]=4 838 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F S72703 [0,1,0,1,0,0|2,0,0]=4 839 B12R2.196 O=C1COC2=C(Br)C=CC=C12 L22354 [0,1,0,1,0,0|0,0,2]=4 840 B12R2.196 O=C1COC2=C1C=CC=C2F S72794 [0,1,0,1,0,0|0,0,2]=4 841 B12R2.196 OC1CCC2=C(Cl)C=CN=C21 P51126 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.196 OC1CCC2=C1C=CC=C2Br P40723 [0,1,0,1,0,0|1,0,0]=3 843 B12R2.196 OC1CCC2=C1C=CC=C2Cl P38853 [0,1,0,1,0,0|1,0,0]=3 844 B12R2.225 BrC1=CC=CC=C1OC2CC2 P38400 [0,1,0,1,0,0|1,0,0]=3 845 B12R2.225 NC1=CC=CC=C1NC2CC2 P42424 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 O34598 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.80 NC1CC1C2=CC=CC(F)=C2 O34562 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.203 O=C1COC2=CC=CC(Br)=C12 P51087 [0,1,0,1,0,0|0,0,2]=4 849 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 P40299 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.612 NC1CCC2=C1C=CC(F)=C2 Q66157 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.612 O=C1COC2=CC(Br)=CC=C12 F-4089 [0,1,0,1,0,0|0,0,2]=4 852 B12R2.612 OC1CCC2=C1C=CC(Br)=C2 Q66199 [0,1,0,1,0,0|1,0,0]=3 853 B12R2.1286 BrC1=CC=CC(OC2CC2)=C1 P42912 [0,1,0,1,0,0|1,0,0]=3 854 B12R2.2313 BrC1=CC(C2CCC2)=CC=C1 N25708 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.2313 BrC1=CC(N2CCC2)=CC=C1 Q69621 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.1 OCC1=NNC2=C1C=CC=C2 G-5612 [0,1,0,1,0,0|1,0,1]=4 857 B12R2.1 OCC1=NOC2=NC=CC=C12 M15726 [0,1,0,1,0,0|1,0,1]=4 858 B12R2.1 OCC1C=CC2=C1C=CC=C2 K12008 [0,1,0,1,0,0|1,0,0]=3 859 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [0,1,0,1,0,0|1,0,1]=4 860 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 P41656 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 M22647 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.2058 C1=CC=C(CN2CCC2)C=C1 P45197 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.2058 C1=CC=C(NC2CNC2)C=C1 P36319 [0,1,0,1,0,0|2,0,0]=4 864 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 G-7276 [0,1,0,1,0,0|1,0,0]=3 865 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 M22662 [0,1,0,1,0,0|1,0,0]=3 866 B12R2.2058 C1=CN=C(OC2CNC2)C=C1 P35306 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.2058 C1=CN=CC(OC2CNC2)=C1 P39560 [0,1,0,1,0,0|2,0,0]=4 868 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O I-9168 [0,1,0,1,0,0|2,0,0]=4 869 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O G-6897 [0,1,0,1,0,0|2,0,0]=4 870 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 I-9043 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.8 NCCC1=CC=CO1 O34064 [1,0,0,0,1,0|2,0,0]=4 872 B8R1.8 NCCC1=CSC=C1 G-7583 [1,0,0,0,1,0|2,0,0]=4 873 B8R1.8 NCCN1C=CC=C1 P38998 [1,0,0,0,1,0|2,0,0]=4 874 B8R1.8 OCCC1=CC=CS1 I-9194 [1,0,0,0,1,0|1,0,0]=3 875 B8R1.8 OCCC1=CN=CN1 G-7568 [1,0,0,0,1,0|2,0,0]=4 876 B8R1.8 OCCC1=CNN=C1 A-904 [1,0,0,0,1,0|2,0,0]=4 877 B8R1.8 OCCC1=NC=CS1 L19275 [1,0,0,0,1,0|2,0,0]=4 878 B8R1.8 OCCC1=NNC=C1 P51145 [1,0,0,0,1,0|2,0,0]=4