0 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 C#CC1=CC=C(Br)C=C1 SBB064530 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.1 C#CC1=CC=C(F)C=C1 SBB064531 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.1 C(=O)C1=CC=C(Cl)N=C1 SBB004157 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.1 CC1=CC=C(C#N)C=C1 SBB055483 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.1 CC1=CC=C(NN)N=N1 SBB055937 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.1 CC1=CN=C(C#N)C=C1 SBB055740 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.1 CC1=CN=C(CN)C=N1 SBB052489 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.1 CC1=NC=C(C#N)C=C1 SBB065528 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.1 CC1=NC=C(C=O)C=N1 SBB010235 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.1 CC1=NC=C(CO)C=N1 SBB054825 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.1 CNC1=NN=C(Cl)C=C1 SBB010299 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.1 COC1=CC=C(Br)C=N1 SBB059393 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.1 COC1=CC=C(I)N=N1 SBB054551 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.1 COC1=CN=C(N)C=N1 SBB069821 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.1 COC1=NC=C(F)C=C1 SBB085672 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.1 COC1=NC=C(N)C=C1 SBB016584 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.1 COC1=NN=C(Cl)C=C1 SBB004124 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.1 ClCC1=CN=C(Cl)C=C1 SBB003948 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.1 FC1=CC=C([Zn]Br)C=C1 SBB099307 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.1 N#CC1=CC=C(Br)C=C1 SBB054163 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.1 N#CC1=CC=C(Cl)C=C1 SBB028659 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.1 N#CC1=CC=C(Cl)N=C1 SBB054388 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.1 N#CC1=CC=C(F)C=C1 SBB059276 [0,0,0,0,0,0|3,0,1]=4 49 B9R1.1 N#CC1=CC=C(I)C=C1 SBB017618 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.1 N#CC1=CC=C(N)C=C1 SBB008363 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.1 N#CC1=CC=C(O)C=C1 SBB008054 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.1 N#CC1=CN=C(Br)C=C1 SBB054266 [0,0,0,0,0,0|2,0,1]=3 53 B9R1.1 N#CC1=CN=C(N)C=C1 SBB004293 [0,0,0,0,0,0|2,0,1]=3 54 B9R1.1 N#CC1=NC=C(N)N=C1 SBB055885 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.1 NC1=CC=C(CO)C=N1 SBB085554 [0,0,0,0,0,0|2,0,0]=2 57 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.1 NC1=NC=C(C=O)C=N1 SBB069046 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.1 NCC1=CC=C(Cl)N=C1 SBB049618 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.1 NCC1=CC=C(N)N=C1 SBB052464 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.1 NNC1=CC=C(Br)C=C1 SBB017153 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.1 NNC1=CC=C(Cl)C=C1 SBB017155 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.1 NNC1=CC=C(Cl)N=N1 SBB028274 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.1 NNC1=CC=C(F)C=C1 SBB012626 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.1 NNC1=CC=C(F)C=C1 SBB063152 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.1 NNC1=CC=C(I)C=C1 SBB017151 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.1 O=CC1=CC=C(Br)C=C1 SBB007609 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.1 O=CC1=CC=C(Cl)C=C1 SBB040227 [0,0,0,0,0,0|3,0,1]=4 76 B9R1.1 O=CC1=CC=C(F)C=C1 SBB040209 [0,0,0,0,0,0|3,0,1]=4 77 B9R1.1 O=CC1=CC=C(F)N=C1 SBB052255 [0,0,0,0,0,0|2,0,1]=3 78 B9R1.1 O=CC1=CC=C(I)C=C1 SBB062822 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.1 O=CC1=CC=C(O)C=C1 SBB028743 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.1 O=CC1=CC=C(O)N=C1 SBB052249 [0,0,0,0,0,0|2,0,1]=3 81 B9R1.1 O=CC1=CN=C(Br)C=C1 SBB052244 [0,0,0,0,0,0|2,0,1]=3 82 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.1 OCC1=CC=C(F)N=C1 SBB065619 [0,0,0,0,0,0|2,0,0]=2 86 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [0,0,0,0,0,0|3,0,0]=3 87 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.1 OCC1=CN=C(Cl)C=C1 SBB054780 [0,0,0,0,0,0|2,0,0]=2 89 B9R1.1 OCC1=NC=C(Br)C=C1 SBB065294 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.1 OCC1=NC=C(Cl)C=C1 SBB086303 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.1 [NH3+]NC1=CC=C(C)C=C1 SBB058586 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.1 [NH3+]NC1=CC=C(Cl)C=C1 SBB058434 [0,0,0,0,0,0|4,0,0]=4 95 B8R1.2 BrCC1=CC=NC=C1 SBB054924 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 C#CC1=CC=CC=C1 SBB040919 [1,0,0,0,0,0|1,0,2]=4 98 B8R1.2 C#CC1=CC=CN=C1 SBB065464 [1,0,0,0,0,0|0,0,2]=3 99 B8R1.2 C=CC1=NC=CN=C1 SBB055880 [1,0,0,0,0,0|1,0,2]=4 100 B8R1.2 CCC1=CC=CC=C1 SBB040891 [1,0,0,0,0,0|1,0,0]=2 101 B8R1.2 CCC1=CC=CC=N1 SBB060373 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.2 CCC1=CC=NC=C1 SBB061128 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.2 CCC1=CN=CC=C1 SBB060374 [1,0,0,0,0,0|0,0,0]=1 104 B8R1.2 CNC1=CC=CC=C1 SBB008162 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.2 CNC1=CC=CC=C1 SBB059778 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.2 CNC1=NC=CN=C1 SBB018751 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.2 CSC1=NN=CC=N1 SBB085690 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 ClCC1=CC=NC=C1 SBB003917 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 N#CC1=CC=CC=C1 SBB028746 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.2 N#CC1=CC=CN=C1 SBB007554 [1,0,0,0,0,0|1,0,1]=3 112 B8R1.2 N#CC1=NC=CN=C1 SBB055876 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.2 NCC1=CC=CC=C1 SBB040473 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.2 NCC1=CC=CN=C1 SBB004351 [1,0,0,0,0,0|1,0,0]=2 115 B8R1.2 NCC1=CC=NC=C1 SBB004350 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.2 NCC1=NC=CC=C1 SBB004352 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 NCC1=NC=CN=C1 SBB014584 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.2 NNC1=CC=CC=C1 SBB040886 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 NNC1=CC=CN=N1 SBB055934 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [1,0,0,0,0,0|1,0,1]=3 121 B8R1.2 O=CC1=CN=CN=C1 SBB065690 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.2 O=CC1=NC=CN=C1 SBB052318 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.2 OCC1=CC=CC=C1 SBB058558 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.2 OCC1=CC=CN=C1 SBB004344 [1,0,0,0,0,0|1,0,0]=2 125 B8R1.2 OCC1=CC=CN=N1 SBB054829 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.2 OCC1=CC=NC=C1 SBB004347 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 OCC1=CN=CN=C1 SBB065691 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.2 OCC1=NC=CC=C1 SBB004348 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.2 OCC1=NC=CN=C1 SBB054824 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.2 ONC1=CC=CC=C1 SBB008413 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [1,0,0,0,0,0|1,0,1]=3 132 B8R1.2 [NH3+]NC1=CC=CC=C1 SBB060000 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.3 BrC1=CC=C(Br)N=N1 SBB054546 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.3 BrC1=CC=C(I)C=N1 SBB013974 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.3 BrC1=CN=C(Br)C=C1 SBB054335 [1,0,0,0,0,0|2,0,0]=3 136 B8R1.3 BrC1=CN=C(Br)C=N1 SBB054474 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.3 BrC1=CN=C(I)C=C1 SBB054355 [1,0,0,0,0,0|2,0,0]=3 138 B8R1.3 BrC1=CN=C(I)C=N1 SBB054462 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.3 BrC1=CN=C(I)N=C1 SBB054488 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.3 CC1=CC=C(Br)C=C1 SBB040884 [1,0,0,0,0,0|2,0,0]=3 141 B8R1.3 CC1=CC=C(Br)C=N1 SBB088566 [1,0,0,0,0,0|1,0,0]=2 142 B8R1.3 CC1=CC=C(C)N=C1 SBB060370 [1,0,0,0,0,0|0,0,0]=1 143 B8R1.3 CC1=CC=C(Cl)C=C1 SBB040887 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.3 CC1=CC=C(N)C=C1 SBB040498 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.3 CC1=CC=C(N)C=C1 SBB073002 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.3 CC1=CC=C(N)C=N1 SBB051894 [1,0,0,0,0,0|1,0,0]=2 147 B8R1.3 CC1=CC=C(N)N=N1 SBB051974 [1,0,0,0,0,0|2,0,0]=3 148 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.3 CC1=CC=C(O)N=N1 SBB051111 [1,0,0,0,0,0|2,0,0]=3 150 B8R1.3 CC1=CN=C(Br)C=C1 SBB054301 [1,0,0,0,0,0|1,0,0]=2 151 B8R1.3 CC1=CN=C(Br)C=N1 SBB054471 [1,0,0,0,0,0|2,0,0]=3 152 B8R1.3 CC1=CN=C(C)C=N1 SBB058647 [1,0,0,0,0,0|1,0,0]=2 153 B8R1.3 CC1=CN=C(Cl)C=C1 SBB085698 [1,0,0,0,0,0|1,0,0]=2 154 B8R1.3 CC1=CN=C(N)C=C1 SBB004353 [1,0,0,0,0,0|1,0,0]=2 155 B8R1.3 CC1=CN=C(N)C=N1 SBB069755 [1,0,0,0,0,0|2,0,0]=3 156 B8R1.3 CC1=CN=C(O)C=C1 SBB055600 [1,0,0,0,0,0|1,0,0]=2 157 B8R1.3 CC1=CN=C(O)N=C1 SBB026947 [1,0,0,0,0,0|2,0,0]=3 158 B8R1.3 CC1=CN=C(S)C=C1 SBB068990 [1,0,0,0,0,0|1,0,0]=2 159 B8R1.3 CC1=CN=C(S)N=C1 SBB021424 [1,0,0,0,0,0|2,0,0]=3 160 B8R1.3 CC1=CNC(=O)C=C1 SBB040121 [1,0,0,0,0,0|1,0,1]=3 161 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [1,0,0,0,0,0|1,0,0]=2 162 B8R1.3 CC1=NN=C(Cl)C=C1 SBB039123 [1,0,0,0,0,0|2,0,0]=3 163 B8R1.3 ClC1=CC=C(Br)C=C1 SBB060209 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.3 ClC1=CC=C(Br)C=N1 SBB013973 [1,0,0,0,0,0|2,0,0]=3 165 B8R1.3 ClC1=CC=C(I)C=N1 SBB013975 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.3 ClC1=CC=C(I)N=N1 SBB054548 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.3 ClC1=CN=C(Br)C=C1 SBB054397 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.3 ClC1=CN=C(Cl)C=C1 SBB054354 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.3 ClC1=CN=C(Cl)N=C1 SBB086615 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.3 ClC1=CN=C(I)C=C1 SBB054334 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.3 ClC1=NC=C(Br)C=N1 SBB048149 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.3 ClC1=NC=C(Br)N=C1 SBB091627 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.3 ClC1=NC=C(I)C=N1 SBB099308 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.3 ClC1=NN=C(Cl)C=C1 SBB058457 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.3 FC1=CC=C(Br)C=C1 SBB088991 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.3 FC1=CC=C(Br)N=C1 SBB089107 [1,0,0,0,0,0|2,0,0]=3 177 B8R1.3 FC1=CC=C(Cl)C=C1 SBB085775 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.3 FC1=CC=C(I)C=C1 SBB096227 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.3 FC1=CC=C(I)C=N1 SBB013899 [1,0,0,0,0,0|2,0,0]=3 180 B8R1.3 FC1=CN=C(Cl)C=C1 SBB085793 [1,0,0,0,0,0|2,0,0]=3 181 B8R1.3 FC1=CN=C(Cl)N=C1 SBB085824 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.3 FC1=NC=C(Br)C=C1 SBB089108 [1,0,0,0,0,0|2,0,0]=3 183 B8R1.3 FC1=NC=C(Br)C=N1 SBB089223 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.3 FC1=NC=C(Cl)C=C1 SBB085795 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.3 IC1=CC=C(I)N=N1 SBB054544 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.3 NC1=CC=C(Br)C=C1 SBB040491 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.3 NC1=CC=C(Br)N=C1 SBB005540 [1,0,0,0,0,0|2,0,0]=3 188 B8R1.3 NC1=CC=C(Cl)C=C1 SBB040490 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.3 NC1=CC=C(Cl)N=C1 SBB004234 [1,0,0,0,0,0|2,0,0]=3 190 B8R1.3 NC1=CC=C(F)C=C1 SBB040453 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.3 NC1=CC=C(F)N=C1 SBB051873 [1,0,0,0,0,0|2,0,0]=3 192 B8R1.3 NC1=CC=C(I)C=N1 SBB028436 [1,0,0,0,0,0|2,0,0]=3 193 B8R1.3 NC1=CC=C(I)N=N1 SBB051975 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.3 NC1=CC=C(O)C=C1 SBB059792 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.3 NC1=CC=C(O)N=C1 SBB028187 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.3 NC1=CC=C(S)C=C1 SBB059850 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.3 NC1=CN=C(Br)C=N1 SBB028377 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.3 NC1=CN=C(Cl)N=C1 SBB051953 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.3 NC1=CN=C(I)C=C1 SBB070540 [1,0,0,0,0,0|2,0,0]=3 200 B8R1.3 NC1=CN=C(N)C=C1 SBB004342 [1,0,0,0,0,0|2,0,0]=3 201 B8R1.3 NC1=NC=C(Br)C=C1 SBB003823 [1,0,0,0,0,0|2,0,0]=3 202 B8R1.3 NC1=NC=C(Br)C=N1 SBB000184 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.3 NC1=NC=C(Cl)C=C1 SBB000059 [1,0,0,0,0,0|2,0,0]=3 204 B8R1.3 NC1=NC=C(Cl)C=N1 SBB005486 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.3 NC1=NC=C(F)C=C1 SBB013948 [1,0,0,0,0,0|2,0,0]=3 206 B8R1.3 NC1=NC=C(I)C=N1 SBB028441 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.3 NC1=NN=C(Cl)C=C1 SBB005487 [1,0,0,0,0,0|3,0,0]=4 208 B8R1.3 O=C1C=CC(=O)C=C1 SBB058657 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.3 O=C1C=CC(Br)=CN1 SBB003806 [1,0,0,0,0,0|2,0,1]=4 210 B8R1.3 O=C1C=CC(Cl)=CN1 SBB004227 [1,0,0,0,0,0|2,0,1]=4 211 B8R1.3 OC1=CC=C(Br)C=C1 SBB040917 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.3 OC1=CC=C(Cl)C=C1 SBB040864 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.3 OC1=CC=C(F)C=C1 SBB040810 [1,0,0,0,0,0|3,0,0]=4 214 B8R1.3 OC1=CC=C(O)C=C1 SBB060421 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.3 OC1=CN=C(Cl)C=C1 SBB054276 [1,0,0,0,0,0|2,0,0]=3 216 B8R1.3 OC1=NC=C(Br)C=C1 SBB054347 [1,0,0,0,0,0|2,0,0]=3 217 B8R1.3 OC1=NC=C(Br)C=N1 SBB059601 [1,0,0,0,0,0|3,0,0]=4 218 B8R1.3 OC1=NC=C(Br)N=C1 SBB062713 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.3 OC1=NC=C(Cl)C=C1 SBB054352 [1,0,0,0,0,0|2,0,0]=3 220 B8R1.3 OC1=NC=C(I)C=C1 SBB054372 [1,0,0,0,0,0|2,0,0]=3 221 B8R1.3 OC1=NN=C(O)C=C1 SBB004322 [1,0,0,0,0,0|3,0,0]=4 222 B8R1.3 SC1=CC=C(Br)C=C1 SBB055148 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.1 CC1=CC=C(CC#N)C=C1 SBB063995 [0,1,0,0,0,0|1,0,1]=3 224 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [0,1,0,0,0,0|1,0,1]=3 225 B10R1.1 CC1=CC=C(CON)C=C1 SBB021738 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.1 CC1=CC=C(N=C=O)C=C1 SBB061737 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.1 CC1=CC=C(N=C=S)C=C1 SBB008290 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.1 CC1=CC=C(NC=O)C=C1 SBB085897 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.1 CCCC1=CC=C(N)C=C1 SBB008337 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.1 CCCC1=CN=C(Cl)N=C1 SBB054517 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.1 CCCC1=CN=C(S)N=C1 SBB066482 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.1 CCOC1=CC=C(Br)C=C1 SBB059353 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.1 CCOC1=CC=C(C)C=C1 SBB060988 [0,1,0,0,0,0|1,0,0]=2 235 B10R1.1 CCOC1=CC=C(Cl)C=C1 SBB040853 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.1 CCOC1=CC=C(Cl)N=N1 SBB049613 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.1 CCOC1=CC=C(F)C=C1 SBB086157 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.1 CCOC1=CC=C(N)C=C1 SBB040442 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.1 CCOC1=CC=C(N)C=C1 SBB073014 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.1 CCOC1=CC=C(O)C=C1 SBB043810 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.1 CCOC1=NC=C(Br)C=C1 SBB054264 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.1 CCSC1=CC=C(N)C=C1 SBB071614 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.1 CNCC1=CC=C(Cl)C=C1 SBB010371 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.1 CNCC1=CC=C(F)C=C1 SBB005902 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.1 CNCC1=CC=C(O)C=C1 SBB046545 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.1 FC1=CC=C(CCCl)C=C1 SBB087329 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.1 FC1=CC=C(C[Zn]Cl)C=C1 SBB094275 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.1 N#CCC1=CC=C(Br)C=C1 SBB055164 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.1 N#CCC1=CC=C(Cl)C=C1 SBB004060 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.1 N#CCC1=CC=C(F)C=C1 SBB063691 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.1 N#CCC1=CC=C(N)C=C1 SBB004218 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.1 N#CCC1=CC=C(O)C=C1 SBB063205 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.1 NC1=CC=C(CCO)C=C1 SBB042772 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.1 NCCC1=CC=C(F)C=C1 SBB003787 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.1 NCCC1=CC=C(F)C=C1 SBB058811 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.1 NCCC1=CC=C(O)C=C1 SBB003808 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.1 O=CCC1=CC=C(Br)C=C1 SBB052205 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.1 O=CCC1=CC=C(F)C=C1 SBB052206 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.1 OCCC1=CC=C(Br)C=C1 SBB055082 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.1 OCCC1=CC=C(F)C=C1 SBB086156 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.3 BrCC1=CC=C(CBr)C=C1 SBB038639 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.3 C#CC1=CC=C(OC)C=C1 SBB063612 [0,1,0,0,0,0|1,0,2]=4 265 B10R1.3 CCC1=CC=C(C#N)C=C1 SBB059144 [0,1,0,0,0,0|1,0,1]=3 266 B10R1.3 CCC1=CC=C(C=O)C=C1 SBB040197 [0,1,0,0,0,0|1,0,1]=3 267 B10R1.3 CCC1=CC=C(CC)C=C1 SBB061169 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.3 CCC1=CC=C(CN)C=C1 SBB017636 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.3 CCC1=CC=C(NN)C=C1 SBB001777 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.3 CCC1=CC=C(NN)C=C1 SBB064984 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.3 CCC1=CC=C(OC)C=C1 SBB060457 [0,1,0,0,0,0|1,0,0]=2 272 B10R1.3 CNC1=CC=C(OC)C=C1 SBB072645 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.3 CNC1=NC=C(C=O)C=N1 SBB303398 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.3 COC1=CC=C(C#N)C=C1 SBB059484 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.3 COC1=CC=C(C#N)C=N1 SBB055563 [0,1,0,0,0,0|1,0,1]=3 276 B10R1.3 COC1=CC=C(C=O)C=C1 SBB040224 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.3 COC1=CC=C(C=O)C=N1 SBB052248 [0,1,0,0,0,0|1,0,1]=3 278 B10R1.3 COC1=CC=C(CBr)C=C1 SBB054916 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.3 COC1=CC=C(CCl)C=C1 SBB040608 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.3 COC1=CC=C(CN)C=C1 SBB040460 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.3 COC1=CC=C(CO)C=C1 SBB063123 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.3 COC1=CC=C(NN)C=C1 SBB012784 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.3 COC1=CC=C(NN)C=C1 SBB063180 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.3 COC1=CC=C(OC)C=C1 SBB060067 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.3 COC1=NC=C(C=O)C=N1 SBB018979 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.3 CSC1=CC=C(C#N)C=C1 SBB058371 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.3 CSC1=CC=C(C=O)C=C1 SBB040212 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.3 CSC1=CC=C(CN)C=C1 SBB017654 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.3 CSC1=CC=C(CO)C=C1 SBB064786 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.3 CSC1=NC=C(C=O)C=N1 SBB018978 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.3 ClCC1=CC=C(CCl)C=C1 SBB058873 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.3 N#CC1=CC=C(CBr)C=C1 SBB040652 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.3 N#CC1=CC=C(CCl)C=C1 SBB012810 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.3 N#CC1=CC=C(CN)C=C1 SBB051423 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.3 N#CC1=CC=C(CO)C=C1 SBB065161 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.3 N#CC1=NC=C(CBr)C=C1 SBB054921 [0,1,0,0,0,0|1,0,1]=3 297 B10R1.3 NCC1=CC=C(CN)C=C1 SBB069890 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.3 NCC1=CC=C(CO)C=C1 SBB052367 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.3 OCC1=CC=C(CO)C=C1 SBB008468 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SBB040244 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SBB055637 [0,1,0,0,0,0|1,0,1]=3 302 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [0,1,0,0,0,0|1,0,1]=3 303 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SBB055610 [0,1,0,0,0,0|0,0,1]=2 304 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 SBB040243 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SBB055593 [0,1,0,0,0,0|1,0,1]=3 306 B10R1.13 CC(=O)C1=CC=C(F)C=C1 SBB040257 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SBB058956 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SBB040278 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SBB040251 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.13 CC(C)C1=CC=C(N)C=C1 SBB040447 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.13 CC(N)C1=CC=C(F)C=C1 SBB046789 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB008453 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB080372 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SBB063808 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.13 CC(O)C1=CC=C(N)C=C1 SBB048111 [0,1,0,0,0,0|2,0,0]=3 316 B10R1.13 CC1=CC=C(B(O)O)C=C1 SBB048068 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.13 CC1=CC=C(B(O)O)C=N1 SBB052580 [0,1,0,0,0,0|2,0,0]=3 318 B10R1.13 CC1=CC=C(C(=N)N)C=C1 SBB088463 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 SBB058746 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SBB040516 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.13 CC1=CC=C(C(=O)O)C=N1 SBB006666 [0,1,0,0,0,0|1,0,1]=3 322 B10R1.13 CC1=CC=C(C(C)C)C=C1 SBB060399 [0,1,0,0,0,0|1,0,0]=2 323 B10R1.13 CC1=CC=C(C(C)N)C=C1 SBB010017 [0,1,0,0,0,0|1,0,0]=2 324 B10R1.13 CC1=CC=C(C(C)O)C=C1 SBB061733 [0,1,0,0,0,0|1,0,0]=2 325 B10R1.13 CC1=CC=C(C(N)=O)C=C1 SBB007862 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.13 CC1=CC=C(C(N)=S)C=C1 SBB016502 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.13 CC1=CC=C(C(N)=S)C=N1 SBB055742 [0,1,0,0,0,0|1,0,1]=3 328 B10R1.13 CC1=NC=C(C(=O)O)C=N1 SBB053220 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SBB006622 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.13 CC1=NC=C(C(N)=O)C=C1 SBB028251 [0,1,0,0,0,0|1,0,1]=3 331 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SBB058575 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.13 CN(C)C1=CC=C(Cl)N=N1 SBB027442 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.13 CN(C)C1=CC=C(N)C=C1 SBB058715 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.13 CN(N)C1=NN=C(Cl)C=C1 SBB087328 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SBB064275 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SBB064274 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.13 ClC1=CC=C(C(Cl)Cl)C=N1 SBB054302 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SBB089501 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.13 NC(=O)C1=CC=C(N)N=C1 SBB051875 [0,1,0,0,0,0|2,0,1]=4 340 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 SBB028323 [0,1,0,0,0,0|2,0,1]=4 341 B10R1.13 NC(C)C1=CC=C(Br)C=C1 SBB006746 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.13 NC(C)C1=CC=C(Cl)C=C1 SBB004019 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.13 NC1=CC=C(C(=O)O)C=N1 SBB004186 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.13 NC1=NC=C(N(=O)=O)C=C1 SBB004178 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 SBB053629 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 SBB087392 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 SBB004004 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.13 O=C(O)C1=CC=C(F)N=C1 SBB065228 [0,1,0,0,0,0|2,0,1]=4 349 B10R1.13 O=C(O)C1=CC=C(O)N=C1 SBB004181 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 SBB028530 [0,1,0,0,0,0|2,0,1]=4 351 B10R1.13 O=C(O)C1=CN=C(S)C=C1 SBB004027 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.13 O=N(=O)C1=CN=C(Br)C=C1 SBB003519 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.13 O=[N+]([O-])C1=CC=C(I)N=C1 SBB065594 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 SBB054353 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 SBB072121 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.13 OB(O)C1=CC=C(Br)N=C1 SBB052564 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.13 OB(O)C1=CC=C(Cl)N=C1 SBB052560 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.13 OB(O)C1=CC=C(F)N=C1 SBB052562 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.13 OC1=CC=C(N(=O)=O)C=N1 SBB004167 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.13 [NH3+]C1=CC=C(N(C)C)C=C1 SBB059799 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.25 CC1=C(C#N)C=CC(N)=N1 SBB028243 [0,1,0,0,0,0|2,0,1]=4 362 B10R1.25 CC1=C(CN)C=CC(Cl)=C1 SBB017658 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.25 CC1=C(CN)C=CC(F)=C1 SBB086092 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.25 CC1=C(CO)C=CC(F)=C1 SBB086160 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.25 CC1=CC(C)=C(C=O)C=C1 SBB058778 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.25 CC1=CC(C)=C(CCl)C=C1 SBB005790 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.25 CC1=CC(C)=C(NN)C=C1 SBB017144 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.25 CC1=CC(C)=C(NN)C=C1 SBB028155 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.25 CC1=CC(Cl)=NC=C1C=O SBB069020 [0,1,0,0,0,0|2,0,1]=4 370 B10R1.25 CC1=CC(F)=C(CBr)C=C1 SBB093047 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.25 CC1=CC(F)=C(CN)C=C1 SBB086083 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.25 CC1=CC(F)=C(CO)C=C1 SBB086161 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.25 CC1=CC(N)=C(C#N)C=C1 SBB028138 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.25 CC1=CC(N)=NC=C1C#N SBB065503 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.25 CC1=CC=C(C#N)C(=O)N1 SBB069004 [0,1,0,0,0,0|1,0,2]=4 376 B10R1.25 CC1=CC=C(C#N)C(C)=C1 SBB085784 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.25 CC1=CC=C(C#N)C(Cl)=C1 SBB064366 [0,1,0,0,0,0|2,0,1]=4 378 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 SBB006618 [0,1,0,0,0,0|1,0,1]=3 379 B10R1.25 CC1=CC=C(C#N)C(F)=C1 SBB064084 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.25 CC1=CC=C(C=O)C(Br)=C1 SBB064054 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.25 CC1=CC=C(C=O)C(Cl)=C1 SBB052218 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.25 CC1=CC=C(C=O)C(F)=C1 SBB063769 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.25 CC1=CC=C(C=O)C(O)=C1 SBB052148 [0,1,0,0,0,0|2,0,1]=4 384 B10R1.25 CC1=NC=C(C#N)C(N)=N1 SBB055897 [0,1,0,0,0,0|2,0,1]=4 385 B10R1.25 CC1=NC=C(CN)C(N)=N1 SBB086023 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.25 CCC1=C(C)C=C(C)C=C1 SBB061315 [0,1,0,0,0,0|1,0,0]=2 387 B10R1.25 CCC1=C(N)N=C(C)C=C1 SBB028253 [0,1,0,0,0,0|0,0,0]=1 388 B10R1.25 CNC1=C(F)C=C(F)C=C1 SBB086276 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.25 COC1=C(Br)C=C(F)C=C1 SBB093396 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.25 COC1=C(C)C=C(F)C=C1 SBB086153 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.25 COC1=C(Cl)C=C(F)C=C1 SBB087483 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.25 COC1=C(Cl)C=C(N)C=C1 SBB004001 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.25 COC1=C(F)C=C(Br)C=C1 SBB093394 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.25 COC1=C(F)C=C(Cl)C=C1 SBB087482 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.25 COC1=C(F)C=C(F)C=C1 SBB086326 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.25 COC1=C(I)C=C(N)C=C1 SBB072089 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.25 COC1=C(O)C=C(C)C=C1 SBB008267 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.25 COC1=C(O)C=C(N)C=C1 SBB007884 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.25 COC1=C(O)N=C(S)N=C1 SBB087300 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.25 COC1=CC=C(C)C=C1C SBB061025 [0,1,0,0,0,0|2,0,0]=3 401 B10R1.25 COC1=CC=C(C)C=C1N SBB040483 [0,1,0,0,0,0|2,0,0]=3 402 B10R1.25 COC1=CC=C(Cl)C=C1C SBB058911 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.25 COC1=CC=C(Cl)C=C1Cl SBB061030 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.25 COC1=CC=C(Cl)C=C1N SBB040470 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.25 COC1=CC=C(Cl)C=C1O SBB055202 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.25 COC1=CC=C(F)C=C1N SBB051693 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.25 COC1=CC=C(N)C=C1C SBB085975 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.25 COC1=CC=C(N)C=C1F SBB028264 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.25 COC1=CC=C(N)C=C1N SBB061625 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.25 COC1=CC=C(N)N=C1Br SBB005638 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.25 COC1=CN=C(Cl)N=C1Cl SBB089497 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.25 CSC1=C(C)C=C(O)C=C1 SBB071462 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 SBB088828 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 SBB040682 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.25 FC1=C(CCl)C=CC(Br)=C1 SBB048036 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.25 FC1=CC(Cl)=CC=C1CBr SBB070819 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.25 FC1=CC(F)=C(CBr)C=C1 SBB006567 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.25 FC1=CC(F)=C(CCl)C=C1 SBB048038 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.25 FC1=CC=C(CBr)C(Cl)=C1 SBB005762 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.25 FC1=CC=C(CCl)C(Cl)=C1 SBB005760 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.25 N#CC1=CC=C(Cl)N=C1Cl SBB062766 [0,1,0,0,0,0|2,0,1]=4 422 B10R1.25 NC1=C(CO)C=NC(O)=N1 SBB071695 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 SBB040461 [0,1,0,0,0,0|3,0,0]=4 424 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 SBB080442 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.25 NCC1=C(F)C=C(Br)C=C1 SBB099311 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 SBB003972 [0,1,0,0,0,0|3,0,0]=4 427 B10R1.25 NCC1=C(F)C=C(F)C=C1 SBB048024 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.25 NCC1=CC=C(F)C=C1Cl SBB028337 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl SBB062767 [0,1,0,0,0,0|2,0,1]=4 430 B10R1.25 OCC1=C(F)C=C(Br)C=C1 SBB005826 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 SBB087481 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.25 OCC1=C(F)C=C(F)C=C1 SBB064044 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.25 OCC1=CC=C(Cl)C=C1Cl SBB058556 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.25 OCC1=CC=C(Cl)N=C1Cl SBB089352 [0,1,0,0,0,0|2,0,0]=3 435 B10R1.25 OCC1=CC=C(F)C=C1Cl SBB006607 [0,1,0,0,0,0|3,0,0]=4 436 B10R1.176 C(=O)C1=CC=C(C)C(F)=C1 SBB086003 [0,1,0,0,0,0|2,0,1]=4 437 B10R1.176 CC1=C(C)C=C(C#N)C=C1 SBB055432 [0,1,0,0,0,0|2,0,1]=4 438 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 SBB052374 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 SBB087089 [0,1,0,0,0,0|2,0,1]=4 440 B10R1.176 CC1=C(F)C=C(C#N)C=C1 SBB055119 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.176 CC1=C(N)C=C(CO)C=C1 SBB054776 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.176 CC1=CC(C#N)=CN=C1N SBB055654 [0,1,0,0,0,0|2,0,1]=4 443 B10R1.176 CC1=CC(CN)=CC=C1F SBB069920 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.176 CC1=CC=C(C#N)C=C1Br SBB064890 [0,1,0,0,0,0|2,0,1]=4 445 B10R1.176 CC1=CC=C(C=O)C=C1C SBB063355 [0,1,0,0,0,0|2,0,1]=4 446 B10R1.176 CC1=CC=C(CCl)C=C1Cl SBB008275 [0,1,0,0,0,0|2,0,0]=3 447 B10R1.176 CC1=CC=C(CN)C=C1C SBB028250 [0,1,0,0,0,0|2,0,0]=3 448 B10R1.176 CC1=CC=C(CN)C=C1F SBB069916 [0,1,0,0,0,0|2,0,0]=3 449 B10R1.176 CC1=CC=C(CO)C=C1C SBB063329 [0,1,0,0,0,0|2,0,0]=3 450 B10R1.176 CC1=CC=C(CO)C=C1Cl SBB008274 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.176 CC1=CC=C(CO)C=C1F SBB086169 [0,1,0,0,0,0|2,0,0]=3 452 B10R1.176 CC1=CC=C(NN)C=C1C SBB028372 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.176 CC1=CC=C(NN)C=C1Cl SBB017154 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.176 CC1=CC=C(NN)C=C1Cl SBB068778 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.176 CCC1=CC(C)=C(C)C=C1 SBB061288 [0,1,0,0,0,0|1,0,0]=2 456 B10R1.176 CCC1=CC=C(O)C(N)=C1 SBB000071 [0,1,0,0,0,0|2,0,0]=3 457 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 SBB051773 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.176 COC1=CC(C)=C(F)C=C1 SBB086166 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.176 COC1=CC(Cl)=C(F)C=C1 SBB087476 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.176 COC1=CC(F)=C(Br)C=C1 SBB055267 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.176 COC1=CC(F)=C(Cl)C=C1 SBB087475 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.176 COC1=CC(F)=C(F)C=C1 SBB086325 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.176 COC1=CC(N)=C(C)C=C1 SBB058810 [0,1,0,0,0,0|2,0,0]=3 464 B10R1.176 COC1=CC(N)=C(O)C=C1 SBB009779 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.176 COC1=CC=C(Br)C(C)=C1 SBB054214 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.176 COC1=CC=C(Br)C(N)=C1 SBB051753 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.176 COC1=CC=C(C)C(F)=C1 SBB086170 [0,1,0,0,0,0|2,0,0]=3 468 B10R1.176 COC1=CC=C(Cl)C(C)=C1 SBB061027 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.176 COC1=CC=C(Cl)C(N)=C1 SBB008038 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.176 COC1=CC=C(N)C(C)=C1 SBB080570 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.176 COC1=CC=C(N)C(F)=C1 SBB071687 [0,1,0,0,0,0|3,0,0]=4 472 B10R1.176 COC1=CC=C(N)C(N)=C1 SBB048084 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 SBB005763 [0,1,0,0,0,0|3,0,0]=4 474 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 SBB040647 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.176 FC1=C(F)C=C(CBr)C=C1 SBB006563 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.176 FC1=CC=C(CBr)C=C1Cl SBB070823 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.176 FC1=CC=C(CCl)C=C1F SBB087651 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.176 N#CC1=CN=C(N)C(Br)=C1 SBB055535 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 SBB052429 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.176 NCC1=CC(F)=C(F)C=C1 SBB052378 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.176 NCC1=CC=C(Cl)C(F)=C1 SBB028335 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.176 NCC1=CC=C(F)C(Cl)=C1 SBB028338 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.176 OCC1=CC(Cl)=C(Cl)N=C1 SBB054797 [0,1,0,0,0,0|2,0,0]=3 484 B10R1.176 OCC1=CC=C(Br)C(F)=C1 SBB064812 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.176 OCC1=CC=C(Cl)C(Cl)=C1 SBB058561 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.176 OCC1=CC=C(F)C(Br)=C1 SBB063481 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.176 OCC1=CC=C(F)C(Cl)=C1 SBB087471 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.176 OCC1=CC=C(F)C(F)=C1 SBB064494 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.176 [NH3+]CC1=CC=C(F)C(Br)=C1 SBB058425 [0,1,0,0,0,0|3,0,0]=4 490 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,0,1,0,0,0|1,0,2]=4 491 B8R1.1 C#CC1=CN(C)N=C1 SBB074343 [0,0,0,0,1,0|1,0,2]=4 492 B8R1.1 C#CC1=NN(C)C=C1 SBB116170 [0,0,0,0,1,0|1,0,2]=4 493 B8R1.1 C(=O)C1=CC(C)=NO1 SBB073327 [0,0,0,0,1,0|2,0,1]=4 494 B8R1.1 C(=O)C1=CC=C(C)S1 SBB004249 [0,0,0,0,1,0|2,0,1]=4 495 B8R1.1 C(=O)C1=CN(C)N=C1 SBB000002 [0,0,0,0,1,0|2,0,1]=4 496 B8R1.1 CC1=CC(CBr)=NO1 SBB089113 [0,0,0,0,1,0|3,0,0]=4 497 B8R1.1 CC1=CC(CCl)=NO1 SBB026481 [0,0,0,0,1,0|3,0,0]=4 498 B8R1.1 CC1=CC(CN)=NO1 SBB018900 [0,0,0,0,1,0|3,0,0]=4 499 B8R1.1 CC1=CC(CO)=CS1 SBB017457 [0,0,0,0,1,0|2,0,0]=3 500 B8R1.1 CC1=CC(CO)=NO1 SBB025974 [0,0,0,0,1,0|3,0,0]=4 501 B8R1.1 CC1=CC=C(C=O)O1 SBB040222 [0,0,0,0,1,0|2,0,1]=4 502 B8R1.1 CC1=CC=C(CN)O1 SBB047770 [0,0,0,0,1,0|2,0,0]=3 503 B8R1.1 CC1=CN(CCl)N=C1 SBB031559 [0,0,0,0,1,0|3,0,0]=4 504 B8R1.1 CC1=CN(CO)N=C1 SBB023299 [0,0,0,0,1,0|3,0,0]=4 505 B8R1.1 CC1=CN=C(CO)S1 SBB054807 [0,0,0,0,1,0|3,0,0]=4 506 B8R1.1 CC1=CSC(CO)=N1 SBB054809 [0,0,0,0,1,0|2,0,0]=3 507 B8R1.1 CC1=NC(C#N)=CS1 SBB085571 [0,0,0,0,1,0|2,0,1]=4 508 B8R1.1 CC1=NC(C=O)=CN1 SBB052314 [0,0,0,0,1,0|2,0,1]=4 509 B8R1.1 CC1=NC(C=O)=CS1 SBB085686 [0,0,0,0,1,0|2,0,1]=4 510 B8R1.1 CC1=NC(CCl)=CS1 SBB005574 [0,0,0,0,1,0|2,0,0]=3 511 B8R1.1 CC1=NC(CCl)=CS1 SBB054934 [0,0,0,0,1,0|2,0,0]=3 512 B8R1.1 CC1=NC(CCl)=NO1 SBB014359 [0,0,0,0,1,0|3,0,0]=4 513 B8R1.1 CC1=NC(CN)=CS1 SBB052476 [0,0,0,0,1,0|2,0,0]=3 514 B8R1.1 CC1=NC(CN)=NO1 SBB018524 [0,0,0,0,1,0|3,0,0]=4 515 B8R1.1 CC1=NC(CO)=NO1 SBB018815 [0,0,0,0,1,0|3,0,0]=4 516 B8R1.1 CC1=NC=C(C=O)S1 SBB018895 [0,0,0,0,1,0|2,0,1]=4 517 B8R1.1 CC1=NN=C(CCl)O1 SBB012831 [0,0,0,0,1,0|3,0,0]=4 518 B8R1.1 CC1=NN=C(CN)O1 SBB018726 [0,0,0,0,1,0|3,0,0]=4 519 B8R1.1 CC1=NNC(C=O)=C1 SBB020823 [0,0,0,0,1,0|2,0,1]=4 520 B8R1.1 CC1=NNC(CN)=C1 SBB027644 [0,0,0,0,1,0|2,0,0]=3 521 B8R1.1 CC1=NNC(CN)=N1 SBB013189 [0,0,0,0,1,0|3,0,0]=4 522 B8R1.1 CC1=NNC(CO)=C1 SBB080476 [0,0,0,0,1,0|2,0,0]=3 523 B8R1.1 CC1=NOC(C#N)=C1 SBB073421 [0,0,0,0,1,0|2,0,1]=4 524 B8R1.1 CC1=NOC(CCl)=N1 SBB014390 [0,0,0,0,1,0|3,0,0]=4 525 B8R1.1 CC1=NOC(CN)=C1 SBB026727 [0,0,0,0,1,0|2,0,0]=3 526 B8R1.1 CC1=NOC(CO)=C1 SBB025975 [0,0,0,0,1,0|2,0,0]=3 527 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [0,0,0,0,1,0|2,0,0]=3 528 B8R1.1 CCC1=NN=C(N)N1 SBB017904 [0,0,0,0,1,0|3,0,0]=4 529 B8R1.1 CCC1=NN=C(N)O1 SBB059512 [0,0,0,0,1,0|3,0,0]=4 530 B8R1.1 CCC1=NN=C(N)S1 SBB028237 [0,0,0,0,1,0|3,0,0]=4 531 B8R1.1 CCC1=NN=C(S)N1 SBB024810 [0,0,0,0,1,0|3,0,0]=4 532 B8R1.1 CCC1=NSC(N)=N1 SBB005485 [0,0,0,0,1,0|3,0,0]=4 533 B8R1.1 CCN1C=C(Br)C=N1 SBB046690 [0,0,0,0,1,0|3,0,0]=4 534 B8R1.1 CCN1C=C(Cl)C=N1 SBB046646 [0,0,0,0,1,0|3,0,0]=4 535 B8R1.1 CCN1C=C(I)C=N1 SBB051456 [0,0,0,0,1,0|3,0,0]=4 536 B8R1.1 CCN1C=C(N)C=N1 SBB009610 [0,0,0,0,1,0|3,0,0]=4 537 B8R1.1 CCN1C=C(O)C=N1 SBB032284 [0,0,0,0,1,0|3,0,0]=4 538 B8R1.1 CCN1C=CC(Br)=N1 SBB054434 [0,0,0,0,1,0|2,0,0]=3 539 B8R1.1 CCN1C=CC(C)=N1 SBB020339 [0,0,0,0,1,0|1,0,0]=2 540 B8R1.1 CCN1C=CC(I)=N1 SBB116216 [0,0,0,0,1,0|2,0,0]=3 541 B8R1.1 CCN1C=CC(N)=N1 SBB020916 [0,0,0,0,1,0|2,0,0]=3 542 B8R1.1 CCN1C=NC(N)=N1 SBB073346 [0,0,0,0,1,0|3,0,0]=4 543 B8R1.1 CN1C=C(C#N)C=N1 SBB021947 [0,0,0,0,1,0|2,0,1]=4 544 B8R1.1 CN1C=C(CCl)C=N1 SBB026129 [0,0,0,0,1,0|2,0,0]=3 545 B8R1.1 CN1C=C(CN)C=N1 SBB000039 [0,0,0,0,1,0|2,0,0]=3 546 B8R1.1 CN1C=C(CO)C=N1 SBB022156 [0,0,0,0,1,0|2,0,0]=3 547 B8R1.1 CN1C=CC(C#N)=N1 SBB021945 [0,0,0,0,1,0|2,0,1]=4 548 B8R1.1 CN1C=CC(C=O)=N1 SBB020577 [0,0,0,0,1,0|2,0,1]=4 549 B8R1.1 CN1C=CC(CCl)=N1 SBB054941 [0,0,0,0,1,0|2,0,0]=3 550 B8R1.1 CN1C=CC(CN)=N1 SBB020585 [0,0,0,0,1,0|2,0,0]=3 551 B8R1.1 CN1C=CC(CO)=N1 SBB073640 [0,0,0,0,1,0|2,0,0]=3 552 B8R1.1 ClCC1=CC(Br)=NO1 SBB054936 [0,0,0,0,1,0|3,0,0]=4 553 B8R1.1 ClCC1=CN=C(Cl)S1 SBB070711 [0,0,0,0,1,0|3,0,0]=4 554 B8R1.1 N1C=C(C)N=C1CC SBB004334 [0,0,0,0,1,0|1,0,0]=2 555 B8R1.1 NC1=NC(CCl)=CS1 SBB027575 [0,0,0,0,1,0|3,0,0]=4 556 B8R1.1 NC1=NC(CCl)=CS1 SBB090242 [0,0,0,0,1,0|3,0,0]=4 557 B8R1.1 NC1=NC(CO)=CS1 SBB014800 [0,0,0,0,1,0|3,0,0]=4 558 B8R1.1 NC1=NC=C(CO)S1 SBB054810 [0,0,0,0,1,0|3,0,0]=4 559 B8R1.1 NC1=NNC(CO)=C1 SBB073850 [0,0,0,0,1,0|3,0,0]=4 560 B8R1.1 NCC1=CC=C(Br)O1 SBB014655 [0,0,0,0,1,0|3,0,0]=4 561 B8R1.1 OCC1=CC(Br)=CS1 SBB091532 [0,0,0,0,1,0|3,0,0]=4 562 B8R1.1 OCC1=CC=C(Br)S1 SBB068487 [0,0,0,0,1,0|3,0,0]=4 563 B8R1.1 OCC1=CC=C(F)S1 SBB073359 [0,0,0,0,1,0|3,0,0]=4 564 B8R1.1 OCC1=CN=C(Cl)S1 SBB086668 [0,0,0,0,1,0|3,0,0]=4 565 B7R1.3 BrC1=CC=CN=C1 SBB003998 [2,0,0,0,0,0|1,0,0]=3 566 B7R1.3 BrC1=CN=CN=C1 SBB054477 [2,0,0,0,0,0|2,0,0]=4 567 B7R1.3 BrC1=NC=CC=C1 SBB003999 [2,0,0,0,0,0|1,0,0]=3 568 B7R1.3 BrC1=NC=CC=N1 SBB054484 [2,0,0,0,0,0|2,0,0]=4 569 B7R1.3 BrC1=NC=CN=C1 SBB087333 [2,0,0,0,0,0|2,0,0]=4 570 B7R1.3 BrC1=NC=NC=C1 SBB054515 [2,0,0,0,0,0|2,0,0]=4 571 B7R1.3 CC1=CN=CC=N1 SBB060830 [2,0,0,0,0,0|1,0,0]=3 572 B7R1.3 ClC1=CC=CC=C1 SBB040899 [2,0,0,0,0,0|2,0,0]=4 573 B7R1.3 ClC1=CC=CN=N1 SBB054542 [2,0,0,0,0,0|2,0,0]=4 574 B7R1.3 ClC1=NC=CC=C1 SBB079180 [2,0,0,0,0,0|1,0,0]=3 575 B7R1.3 ClC1=NC=CC=N1 SBB054479 [2,0,0,0,0,0|2,0,0]=4 576 B7R1.3 ClC1=NC=NC=C1 SBB054514 [2,0,0,0,0,0|2,0,0]=4 577 B7R1.3 FC1=CC=CN=C1 SBB054315 [2,0,0,0,0,0|1,0,0]=3 578 B7R1.3 FC1=NC=CC=C1 SBB062911 [2,0,0,0,0,0|1,0,0]=3 579 B7R1.3 IC1=CC=CN=C1 SBB054246 [2,0,0,0,0,0|1,0,0]=3 580 B7R1.3 IC1=NC=CC=C1 SBB054364 [2,0,0,0,0,0|1,0,0]=3 581 B7R1.3 IC1=NC=CN=C1 SBB093563 [2,0,0,0,0,0|2,0,0]=4 582 B7R1.3 NC1=CC=CC=N1 SBB004394 [2,0,0,0,0,0|1,0,0]=3 583 B7R1.3 NC1=CC=CN=N1 SBB051973 [2,0,0,0,0,0|2,0,0]=4 584 B7R1.3 NC1=CC=NC=N1 SBB028163 [2,0,0,0,0,0|2,0,0]=4 585 B7R1.3 NC1=CN=CC=C1 SBB004395 [2,0,0,0,0,0|1,0,0]=3 586 B7R1.3 NC1=CN=CC=N1 SBB004388 [2,0,0,0,0,0|2,0,0]=4 587 B7R1.3 NC1=CN=CN=C1 SBB051965 [2,0,0,0,0,0|2,0,0]=4 588 B7R1.3 NC1=NC=CC=N1 SBB004387 [2,0,0,0,0,0|2,0,0]=4 589 B7R1.3 O=C1C=CC=NN1 SBB005360 [2,0,0,0,0,0|2,0,0]=4 590 B7R1.3 O=C1N=CC=CN1 SBB004216 [2,0,0,0,0,0|2,0,0]=4 591 B7R1.3 OC1=CC=CC=N1 SBB004392 [2,0,0,0,0,0|1,0,0]=3 592 B7R1.3 OC1=CN=CC=C1 SBB004391 [2,0,0,0,0,0|1,0,0]=3 593 B7R1.3 OC1=NC=CC=N1 SBB004380 [2,0,0,0,0,0|2,0,0]=4 594 B7R1.3 OC1=NC=NC=C1 SBB055919 [2,0,0,0,0,0|2,0,0]=4 595 B7R1.3 SC1=CC=CC=N1 SBB058593 [2,0,0,0,0,0|1,0,0]=3 596 B7R1.3 SC1=NC=CC=N1 SBB007595 [2,0,0,0,0,0|2,0,0]=4 597 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.2 CC1=CN=CC(C#N)=C1 SBB065284 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [1,1,0,0,0,0|0,0,0]=2 608 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.2 CNC1=CC(Cl)=CC=C1 SBB086218 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.2 COC1=CC(Br)=CC=C1 SBB007886 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.2 COC1=CC(F)=CC=C1 SBB085642 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.2 COC1=CC(O)=CC=C1 SBB060932 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.2 COC1=CC=CC(I)=C1 SBB059058 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.2 COC1=CC=CC(N)=C1 SBB040499 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.2 COC1=CN=CC(Br)=C1 SBB054402 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.2 ClCC1=CC(Br)=CN=C1 SBB054923 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.2 ClCC1=CC(Cl)=CC=C1 SBB040671 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.2 FC1=CC(CBr)=CC=C1 SBB090883 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.2 FC1=CC=CC(CCl)=C1 SBB040605 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.2 N#CC1=CC(Br)=CN=C1 SBB040176 [1,1,0,0,0,0|1,0,1]=4 622 B9R1.2 N#CC1=CN=CC(O)=C1 SBB065305 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.2 NC1=CC=CC(CO)=C1 SBB037932 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.2 NCC1=CC(Br)=CN=C1 SBB090527 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.2 NCC1=CC(Cl)=CC=C1 SBB004155 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.2 NCC1=CC=CC(Br)=C1 SBB005796 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.2 NCC1=CC=CC(F)=C1 SBB028218 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.2 O=CC1=CC(Br)=CN=C1 SBB052232 [1,1,0,0,0,0|1,0,1]=4 629 B9R1.2 O=CC1=CN=CC(F)=C1 SBB065432 [1,1,0,0,0,0|1,0,1]=4 630 B9R1.2 OCC1=CC(Br)=CN=C1 SBB065467 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.2 OCC1=CC(F)=CC=C1 SBB064188 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.2 OCC1=CC(I)=CC=C1 SBB068728 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.2 OCC1=CC(S)=CC=C1 SBB054760 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.2 OCC1=CC=CC(Br)=C1 SBB063014 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.2 OCC1=CC=CC(Cl)=C1 SBB064716 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.2 OCC1=CC=CC(O)=C1 SBB068731 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.2 [NH3+]CC1=CC(I)=CC=C1 SBB058984 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [1,1,0,0,0,0|1,0,1]=4 639 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [1,1,0,0,0,0|1,0,1]=4 640 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [1,1,0,0,0,0|0,0,1]=3 641 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [1,1,0,0,0,0|1,0,1]=4 642 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [1,1,0,0,0,0|1,0,0]=3 643 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [1,1,0,0,0,0|1,0,0]=3 644 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.6 CC(N)C1=CC=NC=C1 SBB007016 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [1,1,0,0,0,0|0,0,0]=2 648 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.6 C[C@@H](O)C1=CC=NC=C1 SBB065458 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [1,1,0,0,0,0|1,0,0]=3 654 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.6 NC(=S)C1=CN=CC=C1 SBB028259 [1,1,0,0,0,0|1,0,1]=4 657 B9R1.6 O=C(Cl)C1=CC=CN=C1 SBB005806 [1,1,0,0,0,0|1,0,1]=4 658 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [1,1,0,0,0,0|1,0,1]=4 659 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 SBB065520 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.6 OB(O)C1=CN=CC=C1 SBB025625 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [1,1,0,0,0,0|1,0,0]=3 662 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [1,1,0,0,0,0|0,0,0]=2 667 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.8 CNCC1=NC=CN=C1 SBB014431 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.8 COCC1=CC=CC=C1 SBB063549 [1,1,0,0,0,0|1,0,0]=3 671 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.8 N#CCC1=CC=CN=C1 SBB027148 [1,1,0,0,0,0|0,0,1]=3 674 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [1,1,0,0,0,0|1,0,0]=3 675 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [1,1,0,0,0,0|0,0,0]=2 676 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [1,1,0,0,0,0|0,0,0]=2 677 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [1,1,0,0,0,0|1,0,0]=3 680 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [1,1,0,0,0,0|1,0,0]=3 685 B9R1.8 O\N=C\C1=CC=CN=C1 SBB004285 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.8 SCCC1=NC=CN=C1 SBB067078 [1,1,0,0,0,0|1,0,0]=3 688 B9R1.15 BrCC1=CC=CN=C1Br SBB070876 [1,1,0,0,0,0|1,0,0]=3 689 B9R1.15 C(=O)C1=CC=CN=C1Cl SBB004156 [1,1,0,0,0,0|1,0,1]=4 690 B9R1.15 CC1=C(C=O)C=NC=C1 SBB052236 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.15 CC1=C(CCl)C=CC=C1 SBB040606 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.15 CC1=C(CN)C=CC=C1 SBB042694 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.15 CC1=CC=CC=C1CO SBB065157 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.15 CC1=CC=CC=C1CS SBB086035 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.15 CC1=CC=NC=C1C#N SBB055519 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.15 CCC1=C(N)C=CC=C1 SBB040452 [1,1,0,0,0,0|1,0,0]=3 697 B9R1.15 CCC1=CC=CC=C1C SBB061450 [1,1,0,0,0,0|1,0,0]=3 698 B9R1.15 CNC1=CC=CC=C1Cl SBB086216 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.15 CNC1=CC=CC=C1F SBB051706 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.15 CNC1=CC=CC=C1N SBB071575 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.15 COC1=C(I)N=CC=C1 SBB098345 [1,1,0,0,0,0|1,0,0]=3 702 B9R1.15 COC1=C(N)C=CC=C1 SBB028142 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.15 COC1=C(O)C=CC=C1 SBB058681 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.15 COC1=CC=CC=C1Cl SBB060957 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.15 COC1=CC=CC=C1F SBB040818 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.15 COC1=CC=CN=C1Br SBB005633 [1,1,0,0,0,0|1,0,0]=3 707 B9R1.15 COC1=CC=CN=C1N SBB051907 [1,1,0,0,0,0|1,0,0]=3 708 B9R1.15 COC1=CC=CN=C1O SBB046500 [1,1,0,0,0,0|1,0,0]=3 709 B9R1.15 COC1=NC=CN=C1N SBB051948 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.15 CSC1=C(Br)C=CC=C1 SBB006566 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.15 CSC1=C(C)N=CC=N1 SBB008573 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.15 CSC1=C(Cl)C=CC=C1 SBB058978 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.15 ClCC1=C(Cl)C=CC=C1 SBB040669 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.15 FC1=C(CBr)C=CC=C1 SBB058868 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.15 FC1=C(CCl)C=CC=C1 SBB040603 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.15 N#CC1=C(Br)C=CN=C1 SBB065311 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.15 N#CC1=C(F)N=CC=C1 SBB065300 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.15 N#CC1=C(I)C=CN=C1 SBB065313 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.15 N#CC1=C(O)N=CC=C1 SBB065243 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.15 N#CC1=CC=CN=C1Cl SBB013480 [1,1,0,0,0,0|1,0,1]=4 721 B9R1.15 N#CC1=CC=CN=C1N SBB028201 [1,1,0,0,0,0|1,0,1]=4 722 B9R1.15 NC1=C(C=O)C=NC=C1 SBB014341 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.15 NC1=C(CO)C=CC=C1 SBB058759 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.15 NC1=CC=NC=C1CO SBB054791 [1,1,0,0,0,0|1,0,0]=3 725 B9R1.15 NC1=NC=CC=C1C=O SBB012985 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.15 NC1=NC=CC=C1CO SBB054786 [1,1,0,0,0,0|1,0,0]=3 727 B9R1.15 NCC1=C(Cl)C=CC=C1 SBB004151 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.15 NCC1=C(F)C=CC=C1 SBB028214 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.15 NCC1=CC=CC=C1Br SBB052369 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.15 NCC1=CC=CC=C1Br SBB052411 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.15 O=CC1=CC=CN=C1Br SBB052224 [1,1,0,0,0,0|1,0,1]=4 732 B9R1.15 O=CC1=CC=CN=C1F SBB065263 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.15 O=CC1=CN=CC=C1Cl SBB065433 [1,1,0,0,0,0|1,0,1]=4 734 B9R1.15 OCC1=C(F)C=CC=C1 SBB064085 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.15 OCC1=CC=CC=C1Br SBB063922 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.15 OCC1=CC=CC=C1Cl SBB058557 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.15 OCC1=CC=CC=C1O SBB065036 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.15 OCC1=CC=CN=C1Cl SBB054785 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.15 SCC1=CC=CC=C1Br SBB066540 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.69 CC1=C(Br)C=C(F)C=C1 SBB090882 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.69 CC1=C(Br)C=C(N)C=C1 SBB001737 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 SBB054371 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.69 CC1=C(Br)C=CC(F)=N1 SBB054321 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.69 CC1=C(Br)C=NC(N)=C1 SBB090524 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.69 CC1=C(C)C=C(F)C=C1 SBB085562 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.69 CC1=C(C)C=C(N)C=C1 SBB040496 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.69 CC1=C(Cl)C=C(F)C=C1 SBB086382 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.69 CC1=C(Cl)C=CC(N)=N1 SBB069944 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 SBB013901 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.69 CC1=C(F)C=C(Br)C=C1 SBB090880 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.69 CC1=C(F)C=C(Cl)C=C1 SBB086380 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.69 CC1=C(F)C=C(F)C=C1 SBB085715 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.69 CC1=C(F)C=C(I)C=C1 SBB098502 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.69 CC1=C(F)C=CC(Br)=N1 SBB091031 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.69 CC1=C(I)C=C(F)C=C1 SBB098508 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.69 CC1=C(N)C=C(Cl)C=C1 SBB028133 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.69 CC1=C(N)C=C(N)C=C1 SBB007556 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.69 CC1=C(N)C=NC(Cl)=C1 SBB004140 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.69 CC1=C(N)N=CC(Br)=C1 SBB003694 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.69 CC1=C(N)N=CC(I)=C1 SBB013201 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.69 CC1=C(O)C=C(F)C=C1 SBB085644 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.69 CC1=C(O)N=C(S)N=C1 SBB086243 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.69 CC1=C(O)N=CC(Br)=C1 SBB013903 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.69 CC1=CC(Br)=C(F)C=C1 SBB090881 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.69 CC1=CC(Br)=CN=C1Br SBB003143 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.69 CC1=CC(Br)=CN=C1F SBB091029 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.69 CC1=CC(Br)=NC=C1Br SBB003142 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.69 CC1=CC(C)=C(C)C=C1 SBB060396 [1,1,0,0,0,0|1,0,0]=3 769 B9R1.69 CC1=CC(C)=C(F)C=C1 SBB085564 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.69 CC1=CC(C)=C(N)C=N1 SBB051865 [1,1,0,0,0,0|1,0,0]=3 771 B9R1.69 CC1=CC(C)=C(O)C=C1 SBB060657 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 SBB061466 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.69 CC1=CC(Cl)=C(F)C=C1 SBB086372 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.69 CC1=CC(Cl)=CN=C1N SBB051890 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.69 CC1=CC(Cl)=CN=C1O SBB054370 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.69 CC1=CC(F)=C(Br)C=C1 SBB090876 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.69 CC1=CC(F)=C(C)C=C1 SBB085563 [1,1,0,0,0,0|1,0,0]=3 778 B9R1.69 CC1=CC(F)=C(Cl)C=C1 SBB086381 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.69 CC1=CC(F)=C(F)C=C1 SBB085714 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.69 CC1=CC(F)=C(I)C=C1 SBB098504 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.69 CC1=CC(F)=C(O)C=C1 SBB085649 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.69 CC1=CC(F)=NC=C1Br SBB091037 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.69 CC1=CC(N)=C(N)C=C1 SBB007557 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.69 CC1=CC(N)=NC=C1Cl SBB051861 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.69 CC1=CC(N)=NC=C1I SBB070617 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.69 CC1=CC(O)=C(C)C=C1 SBB060426 [1,1,0,0,0,0|1,0,0]=3 787 B9R1.69 CC1=CC(O)=C(F)C=C1 SBB085653 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.69 CC1=CC(O)=C(O)C=C1 SBB061372 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.69 CC1=CC=C(Br)C(N)=N1 SBB005516 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.69 CC1=CC=C(Br)C=C1Cl SBB055298 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.69 CC1=CC=C(C)C(N)=C1 SBB040497 [1,1,0,0,0,0|1,0,0]=3 792 B9R1.69 CC1=CC=C(Cl)C(N)=C1 SBB069932 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.69 CC1=CC=C(Cl)C=C1Cl SBB061465 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.69 CC1=CC=C(F)C(N)=C1 SBB028213 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.69 CC1=CC=C(F)C=C1N SBB004266 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.69 CC1=CC=C(I)C=C1N SBB007547 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.69 CC1=CC=C(N)C(Br)=C1 SBB040485 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.69 CC1=CC=C(N)C(C)=C1 SBB040487 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.69 CC1=CC=C(N)C=C1F SBB028219 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.69 CC1=CC=C(O)C(Br)=C1 SBB079996 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.69 CC1=CC=C(O)C(N)=C1 SBB051703 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.69 CC1=CC=C(O)C=C1C SBB060427 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.69 CC1=CC=C(O)C=C1F SBB085647 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 SBB054317 [1,1,0,0,0,0|1,0,0]=3 805 B9R1.69 CC1=CN=C(Cl)C(C)=N1 SBB054473 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.69 CC1=CN=C(Cl)N=C1Cl SBB087662 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.69 CC1=CN=C(Cl)N=C1N SBB069962 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.69 CC1=CN=C(F)C(Br)=C1 SBB091032 [1,1,0,0,0,0|1,0,0]=3 809 B9R1.69 CC1=CN=C(F)C(I)=C1 SBB054399 [1,1,0,0,0,0|1,0,0]=3 810 B9R1.69 CC1=CN=C(N)C(Br)=C1 SBB000261 [1,1,0,0,0,0|1,0,0]=3 811 B9R1.69 CC1=CN=C(N)C(Br)=N1 SBB054470 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.69 CC1=CN=C(N)C(Cl)=C1 SBB069949 [1,1,0,0,0,0|1,0,0]=3 813 B9R1.69 CC1=CN=C(O)C(Br)=C1 SBB003679 [1,1,0,0,0,0|1,0,0]=3 814 B9R1.69 CC1=CN=C(O)C(N)=C1 SBB051872 [1,1,0,0,0,0|1,0,0]=3 815 B9R1.69 CC1=CNC(=O)N=C1N SBB015075 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.69 CC1=NC(C)=C(C)C=C1 SBB061698 [1,1,0,0,0,0|0,0,0]=2 817 B9R1.69 CC1=NC(C)=C(N)C=C1 SBB013931 [1,1,0,0,0,0|1,0,0]=3 818 B9R1.69 CC1=NC(C)=C(O)C=C1 SBB013900 [1,1,0,0,0,0|1,0,0]=3 819 B9R1.69 CC1=NC(Cl)=C(N)C=C1 SBB004142 [1,1,0,0,0,0|1,0,0]=3 820 B9R1.69 CC1=NC(Cl)=CC=C1N SBB004141 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.69 CC1=NC(N)=CC=C1Br SBB000260 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.69 CC1=NC(N)=CC=C1I SBB013202 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.69 CC1=NC=C(Br)C=C1N SBB051825 [1,1,0,0,0,0|1,0,0]=3 824 B9R1.69 CC1=NNC(=O)C(N)=C1 SBB079752 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.69 ClC1=CC(Br)=CN=C1Br SBB054320 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.69 ClC1=CN=C(Br)C(Br)=C1 SBB054253 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.69 ClC1=CN=C(Br)C(Cl)=C1 SBB039005 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.69 ClC1=CN=C(Cl)C(Br)=C1 SBB054252 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 SBB001734 [1,1,0,0,0,0|2,0,0]=4 830 B9R1.69 ClC1=NC=C(Br)C=C1Br SBB054262 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.69 FC1=C(Br)N=CC(Br)=C1 SBB101510 [1,1,0,0,0,0|2,0,0]=4 832 B9R1.69 FC1=CC(Br)=C(F)N=C1 SBB091660 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.69 FC1=CC(Br)=CN=C1Cl SBB062897 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.69 FC1=CC(Br)=CN=C1F SBB091659 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.69 FC1=CC(Cl)=CN=C1Br SBB094381 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.69 FC1=CC(Cl)=CN=C1Cl SBB087953 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.69 FC1=CC(Cl)=CN=C1F SBB086666 [1,1,0,0,0,0|2,0,0]=4 838 B9R1.69 FC1=CC=C(F)C(F)=N1 SBB085830 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.69 FC1=CN=C(Br)C(Br)=C1 SBB101511 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.69 FC1=CN=C(Br)C(F)=C1 SBB091658 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.69 FC1=CN=C(F)C(F)=C1 SBB085829 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.69 FC1=NC=C(Cl)C=C1Cl SBB087952 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.69 NC1=C(Br)C=C(Cl)C=N1 SBB028420 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.69 NC1=C(Cl)C=C(Cl)C=N1 SBB003932 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.69 NC1=C(Cl)N=C(Br)C=C1 SBB038997 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.69 NC1=C(I)C=C(Cl)C=N1 SBB101451 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.69 NC1=C(I)C=NC(Cl)=C1 SBB101453 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.69 NC1=C(N)C=C(Cl)N=C1 SBB069959 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.69 NC1=C(N)C=C(Cl)N=C1 SBB070249 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.69 NC1=CC(Br)=CN=C1Cl SBB051893 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.69 NC1=CC(Br)=CN=C1N SBB038040 [1,1,0,0,0,0|2,0,0]=4 852 B9R1.69 NC1=CC(Cl)=C(C)C=C1 SBB004152 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.69 NC1=CC(Cl)=CN=C1Br SBB051899 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.69 NC1=CC(Cl)=CN=C1Cl SBB005503 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.69 NC1=CC(Cl)=CN=C1N SBB004135 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.69 NC1=CC(F)=CN=C1Br SBB051843 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.69 NC1=CC=C(Br)C(N)=N1 SBB016184 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.69 NC1=CC=C(C)C=C1F SBB006650 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.69 NC1=CC=C(Cl)N=C1Cl SBB005502 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.69 NC1=CN=C(N)C(Br)=C1 SBB116885 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.69 NC1=NC(N)=C(N)C=C1 SBB018571 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.69 NC1=NC=C(Br)C=C1Br SBB000910 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.69 NC1=NC=C(Br)C=C1Cl SBB054303 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.69 NC1=NC=C(Cl)C=C1F SBB070002 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.69 NC1=NC=C(F)C=C1F SBB069849 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.69 OC1=NC=C(Br)C=C1Br SBB039012 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.69 OC1=NC=C(Cl)C=C1Cl SBB039011 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.69 [NH3+]C1=C(C)C=C(C)N=C1 SBB055666 [1,1,0,0,0,0|1,0,0]=3 869 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [0,1,0,0,1,0|1,0,0]=3 870 B9R1.7 CC1=CN(CCN)N=C1 SBB021469 [0,1,0,0,1,0|2,0,0]=4 871 B9R1.7 CC1=CN(CCN)N=N1 SBB074232 [0,1,0,0,1,0|2,0,0]=4 872 B9R1.7 CC1=CN(CCO)N=C1 SBB033466 [0,1,0,0,1,0|2,0,0]=4 873 B9R1.7 CC1=CN=C(CCN)S1 SBB027447 [0,1,0,0,1,0|2,0,0]=4 874 B9R1.7 CC1=CSC(CC#N)=N1 SBB022616 [0,1,0,0,1,0|1,0,1]=4 875 B9R1.7 CC1=CSC(CCN)=N1 SBB044025 [0,1,0,0,1,0|1,0,0]=3 876 B9R1.7 CC1=NN(CC#N)C=C1 SBB021938 [0,1,0,0,1,0|1,0,1]=4 877 B9R1.7 CC1=NN(CCBr)C=C1 SBB014949 [0,1,0,0,1,0|1,0,0]=3 878 B9R1.7 CC1=NN(CCN)C=C1 SBB009659 [0,1,0,0,1,0|1,0,0]=3 879 B9R1.7 CC1=NN(CCO)C=C1 SBB033467 [0,1,0,0,1,0|1,0,0]=3 880 B9R1.7 CC1=NOC(CC#N)=C1 SBB073572 [0,1,0,0,1,0|1,0,1]=4 881 B9R1.7 CC1=NOC(CCN)=N1 SBB050221 [0,1,0,0,1,0|2,0,0]=4 882 B9R1.7 CCCC1=CC(N)=NN1 SBB085612 [0,1,0,0,1,0|2,0,0]=4 883 B9R1.7 CCCN1C=CC(Br)=N1 SBB116205 [0,1,0,0,1,0|2,0,0]=4 884 B9R1.7 CCCN1C=CC(C)=N1 SBB024160 [0,1,0,0,1,0|1,0,0]=3 885 B9R1.7 CCCN1C=CC(I)=N1 SBB116218 [0,1,0,0,1,0|2,0,0]=4 886 B9R1.7 CCCN1C=CC(N)=N1 SBB022359 [0,1,0,0,1,0|2,0,0]=4 887 B9R1.7 CN1C=C(CCCl)C=N1 SBB073778 [0,1,0,0,1,0|1,0,0]=3 888 B9R1.7 CN1C=C(CCN)C=N1 SBB073762 [0,1,0,0,1,0|1,0,0]=3 889 B9R1.7 CN1C=C(CCO)C=N1 SBB026809 [0,1,0,0,1,0|1,0,0]=3 890 B9R1.7 CN1C=CC(CC#N)=N1 SBB073641 [0,1,0,0,1,0|1,0,1]=4 891 B9R1.7 CN1C=CC(CCN)=N1 SBB073919 [0,1,0,0,1,0|1,0,0]=3 892 B9R1.7 CN1C=NC(CCN)=C1 SBB003561 [0,1,0,0,1,0|2,0,0]=4 893 B9R1.7 CN1C=NC(CCN)=C1 SBB116842 [0,1,0,0,1,0|2,0,0]=4 894 B9R1.7 CNCC1=CC(C)=NO1 SBB026735 [0,1,0,0,1,0|1,0,0]=3 895 B9R1.7 CNCC1=CC=C(C)O1 SBB085300 [0,1,0,0,1,0|1,0,0]=3 896 B9R1.7 CNCC1=CC=C(C)S1 SBB052471 [0,1,0,0,1,0|1,0,0]=3 897 B9R1.7 CNCC1=CN(C)N=C1 SBB019590 [0,1,0,0,1,0|1,0,0]=3 898 B9R1.7 CNCC1=CSC(C)=N1 SBB086256 [0,1,0,0,1,0|1,0,0]=3 899 B9R1.7 CNCC1=NN(C)C=C1 SBB020588 [0,1,0,0,1,0|1,0,0]=3 900 B9R1.7 CNCC1=NNC(C)=C1 SBB010242 [0,1,0,0,1,0|1,0,1]=4 901 B9R1.7 CNCC1=NOC(C)=C1 SBB026783 [0,1,0,0,1,0|2,0,0]=4 902 B9R1.7 N1C(C)=NN=C1OCC SBB059639 [0,1,0,0,1,0|2,0,0]=4 903 B9R1.7 NCCN1C=CC(Br)=N1 SBB116202 [0,1,0,0,1,0|2,0,0]=4 904 B9R1.21 C#CC1=NN(CC)C=C1 SBB116171 [0,1,0,0,1,0|1,0,1]=4 905 B9R1.21 CCC1=CC=C(C=O)O1 SBB010056 [0,1,0,0,1,0|1,0,1]=4 906 B9R1.21 CCC1=CC=C(C=O)S1 SBB028644 [0,1,0,0,1,0|1,0,1]=4 907 B9R1.21 CCC1=NC(CN)=NO1 SBB047171 [0,1,0,0,1,0|2,0,0]=4 908 B9R1.21 CCC1=NN=C(CCl)O1 SBB018931 [0,1,0,0,1,0|2,0,0]=4 909 B9R1.21 CCC1=NOC(CCl)=C1 SBB026127 [0,1,0,0,1,0|2,0,0]=4 910 B9R1.21 CCC1=NOC(CN)=C1 SBB010250 [0,1,0,0,1,0|2,0,0]=4 911 B9R1.21 CCC1=NOC(CO)=C1 SBB050112 [0,1,0,0,1,0|2,0,0]=4 912 B9R1.21 CCN1C=C(CN)C=N1 SBB018639 [0,1,0,0,1,0|2,0,0]=4 913 B9R1.21 CCN1C=C(CO)C=N1 SBB019664 [0,1,0,0,1,0|2,0,0]=4 914 B9R1.21 CCN1C=CC(C#N)=N1 SBB021946 [0,1,0,0,1,0|1,0,1]=4 915 B9R1.21 CCN1C=CC(C=O)=N1 SBB017363 [0,1,0,0,1,0|1,0,1]=4 916 B9R1.21 CCN1C=CC(CCl)=N1 SBB025730 [0,1,0,0,1,0|1,0,0]=3 917 B9R1.21 CCN1C=CC(CN)=N1 SBB020586 [0,1,0,0,1,0|1,0,0]=3 918 B9R1.21 CCN1C=CC(CO)=N1 SBB025856 [0,1,0,0,1,0|1,0,0]=3 919 B9R1.22 CC1=CC(C)=NN1CO SBB004250 [0,1,0,0,1,0|2,0,0]=4 920 B9R1.22 CC1=NC(C)=C(CO)S1 SBB054806 [0,1,0,0,1,0|2,0,0]=4 921 B9R1.22 CC1=NC(CO)=C(C)O1 SBB085678 [0,1,0,0,1,0|2,0,0]=4 922 B9R1.22 CC1=NN(C)C(CCl)=C1 SBB025118 [0,1,0,0,1,0|2,0,0]=4 923 B9R1.22 CC1=NN(C)C(CN)=C1 SBB004264 [0,1,0,0,1,0|2,0,0]=4 924 B9R1.22 CC1=NN(C)C(CO)=C1 SBB024986 [0,1,0,0,1,0|2,0,0]=4 925 B9R1.22 CC1=NN(C)C=C1CN SBB004263 [0,1,0,0,1,0|2,0,0]=4 926 B9R1.22 CC1=NN(C)C=C1CO SBB019670 [0,1,0,0,1,0|2,0,0]=4 927 B9R1.22 CCC1=C(C)SC(N)=N1 SBB085468 [0,1,0,0,1,0|2,0,0]=4 928 B9R1.22 CCN1C=C(C)C=C1N SBB059485 [0,1,0,0,1,0|1,0,0]=3 929 B9R1.22 CCN1N=C(Br)C=C1C SBB116194 [0,1,0,0,1,0|2,0,0]=4 930 B9R1.22 CCN1N=C(C)C=C1C SBB024588 [0,1,0,0,1,0|1,0,0]=3 931 B9R1.22 CCN1N=C(C)C=C1N SBB022583 [0,1,0,0,1,0|1,0,0]=3 932 B9R1.22 CCN1N=C(I)C=C1C SBB116211 [0,1,0,0,1,0|2,0,0]=4 933 B9R1.22 CCN1N=C(N)C=C1C SBB009549 [0,1,0,0,1,0|2,0,0]=4 934 B9R1.22 CN1C=C(Br)C(CCl)=N1 SBB094235 [0,1,0,0,1,0|2,0,0]=4 935 B9R1.22 CN1C=C(Br)C(CN)=N1 SBB021952 [0,1,0,0,1,0|2,0,0]=4 936 B9R1.22 CN1C=C(Br)C(CO)=N1 SBB073833 [0,1,0,0,1,0|2,0,0]=4 937 B9R1.22 CN1C=C(Cl)C(CCl)=N1 SBB116445 [0,1,0,0,1,0|2,0,0]=4 938 B9R1.22 CN1C=C(Cl)C(CO)=N1 SBB073832 [0,1,0,0,1,0|2,0,0]=4 939 B9R1.23 CC1=CC(CN)=NN1C SBB020887 [0,1,0,0,1,0|2,0,0]=4 940 B9R1.23 CC1=CC(CO)=NN1C SBB054817 [0,1,0,0,1,0|2,0,0]=4 941 B9R1.23 CCN1C=C(Br)C(C)=N1 SBB020342 [0,1,0,0,1,0|1,0,0]=3 942 B9R1.23 CCN1C=C(Br)C(N)=N1 SBB022909 [0,1,0,0,1,0|2,0,0]=4 943 B9R1.23 CCN1C=C(C)C(N)=N1 SBB027023 [0,1,0,0,1,0|2,0,0]=4 944 B9R1.23 CCN1C=C(Cl)C(C)=N1 SBB046652 [0,1,0,0,1,0|1,0,0]=3 945 B9R1.23 CCN1C=C(Cl)C(N)=N1 SBB022307 [0,1,0,0,1,0|2,0,0]=4 946 B9R1.23 CCN1C=C(I)C(C)=N1 SBB051459 [0,1,0,0,1,0|1,0,0]=3 947 B9R1.23 CCN1C=C(I)C(N)=N1 SBB074171 [0,1,0,0,1,0|2,0,0]=4 948 B9R1.23 CCN1C=C(N)C(C)=N1 SBB009354 [0,1,0,0,1,0|1,0,0]=3 949 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,1,0,0,1,0|1,0,1]=4 950 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,1,0,0,1,0|1,0,1]=4 951 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,1,0,0,1,0|1,0,1]=4 952 B9R1.35 CC(=O)C1=CN(C)N=C1 SBB020594 [0,1,0,0,1,0|1,0,1]=4 953 B9R1.35 CC(=O)C1=CSC(C)=N1 SBB109134 [0,1,0,0,1,0|1,0,1]=4 954 B9R1.35 CC(=O)C1=NN(C)C=C1 SBB021677 [0,1,0,0,1,0|1,0,1]=4 955 B9R1.35 CC(C)C1=CC(N)=NN1 SBB051943 [0,1,0,0,1,0|2,0,0]=4 956 B9R1.35 CC(C)C1=CSC(N)=N1 SBB044873 [0,1,0,0,1,0|2,0,0]=4 957 B9R1.35 CC(C)N1C=CC(Br)=N1 SBB116204 [0,1,0,0,1,0|2,0,0]=4 958 B9R1.35 CC(C)N1C=CC(I)=N1 SBB116217 [0,1,0,0,1,0|2,0,0]=4 959 B9R1.35 CC(C)N1C=CC(N)=N1 SBB022906 [0,1,0,0,1,0|2,0,0]=4 960 B9R1.35 CC(N)C1=CN(C)N=C1 SBB026475 [0,1,0,0,1,0|1,0,0]=3 961 B9R1.35 CC(N)C1=NN(C)C=C1 SBB009481 [0,1,0,0,1,0|1,0,0]=3 962 B9R1.35 CC(O)C1=CC=C(F)S1 SBB073298 [0,1,0,0,1,0|2,0,0]=4 963 B9R1.35 CC1=CC=C(C(C)N)O1 SBB010239 [0,1,0,0,1,0|1,0,0]=3 964 B9R1.35 CC1=NN(C(C)C)C=C1 SBB024815 [0,1,0,0,1,0|1,0,0]=3 965 B9R1.35 CC1=NN(C(F)F)C=C1 SBB000019 [0,1,0,0,1,0|2,0,0]=4 966 B9R1.132 CC1=C(C)C(CO)=CS1 SBB017430 [0,1,0,0,1,0|2,0,0]=4 967 B9R1.132 CC1=C(CN)C=NN1C SBB004262 [0,1,0,0,1,0|2,0,0]=4 968 B9R1.132 CC1=C(CO)C=NN1C SBB019663 [0,1,0,0,1,0|2,0,0]=4 969 B9R1.132 CC1=CC=C(CN)N1C SBB012870 [0,1,0,0,1,0|1,0,1]=4 970 B9R1.132 CCN1N=CC(C)=C1N SBB073537 [0,1,0,0,1,0|2,0,0]=4 971 B11R1.1 BrCCOC1=CC=C(Br)C=C1 SBB042543 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.1 C#CCNC1=CC=C(C)C=C1 SBB010306 [0,2,0,0,0,0|1,0,1]=4 973 B11R1.1 C=CCCC1=CC=C(F)C=C1 SBB008824 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.1 CC1=CC=C(NCCO)C=C1 SBB010327 [0,2,0,0,0,0|1,0,0]=3 975 B11R1.1 CC1=CC=C(OCC#N)C=C1 SBB086536 [0,2,0,0,0,0|1,0,1]=4 976 B11R1.1 CC1=CC=C(OCCBr)C=C1 SBB018129 [0,2,0,0,0,0|1,0,0]=3 977 B11R1.1 CC1=CC=C(OCCN)C=C1 SBB016458 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.1 CC1=CC=C(SCCN)C=C1 SBB076443 [0,2,0,0,0,0|1,0,0]=3 979 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [0,2,0,0,0,0|2,0,0]=4 981 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.1 CCCCC1=CN=C(Cl)N=C1 SBB059368 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.1 CCCOC1=CC=C(Br)C=C1 SBB059354 [0,2,0,0,0,0|2,0,0]=4 984 B11R1.1 CCCOC1=CC=C(N)C=C1 SBB008316 [0,2,0,0,0,0|2,0,0]=4 985 B11R1.1 CCCOC1=CC=C(O)C=C1 SBB059151 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SBB080066 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.1 ClC1=CC=C(OCCBr)C=C1 SBB040699 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.1 FC1=CC=C(OCCBr)C=C1 SBB071709 [0,2,0,0,0,0|2,0,0]=4 989 B11R1.1 N#CCCC1=CC=C(O)C=C1 SBB055251 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.1 NC1=CC=C(NCCO)C=C1 SBB006780 [0,2,0,0,0,0|2,0,0]=4 991 B11R1.1 NC1=CC=C(OCCO)C=C1 SBB024256 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.1 NCCCC1=CC=C(Cl)C=C1 SBB010509 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.1 NCCOC1=CC=C(Br)C=C1 SBB050336 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.1 NCCOC1=CC=C(Cl)C=C1 SBB010531 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.1 NCCOC1=CC=C(F)C=C1 SBB010365 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.1 NCCOC1=CC=C(N)C=C1 SBB050309 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.1 NCCSC1=CC=C(F)C=C1 SBB073189 [0,2,0,0,0,0|2,0,0]=4 998 B11R1.1 OC1=CC=C(OCCBr)C=C1 SBB051429 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SBB055172 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.1 OCCSC1=CC=C(Cl)C=C1 SBB090866 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SBB058424 [0,2,0,0,0,0|2,0,0]=4 1002 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SBB086853 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SBB059339 [0,2,0,0,0,0|1,0,1]=4 1004 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 SBB060032 [0,2,0,0,0,0|1,0,1]=4 1005 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 SBB047818 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SBB010330 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 SBB000454 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.20 CC(N)CC1=CC=C(F)C=C1 SBB052387 [0,2,0,0,0,0|2,0,0]=4 1009 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SBB063734 [0,2,0,0,0,0|1,0,1]=4 1010 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 SBB087944 [0,2,0,0,0,0|1,0,1]=4 1011 B11R1.20 CC1=CC=C(OC(F)F)C=C1 SBB087277 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 SBB109890 [0,2,0,0,0,0|2,0,0]=4 1013 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 SBB027117 [0,2,0,0,0,0|1,0,1]=4 1014 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 SBB038706 [0,2,0,0,0,0|1,0,1]=4 1015 B11R1.22 CC1=CC=C(C(O)C#N)C=C1 SBB086534 [0,2,0,0,0,0|1,0,1]=4 1016 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 SBB058414 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SBB056753 [0,2,0,0,0,0|1,0,0]=3 1018 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 SBB035779 [0,2,0,0,0,0|2,0,0]=4 1019 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 SBB058461 [0,2,0,0,0,0|2,0,0]=4 1020 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 SBB040250 [0,2,0,0,0,0|2,0,0]=4 1021 B11R1.22 CCC(N)C1=CC=C(C)C=C1 SBB017924 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 SBB046785 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.22 CCC(N)C1=CC=C(F)C=C1 SBB010339 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.22 CCC(N)C1=CC=C(O)C=C1 SBB080407 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.22 CCC(O)C1=CC=C(F)C=C1 SBB087018 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.22 CNC(=O)C1=CC=C(C)C=C1 SBB008263 [0,2,0,0,0,0|1,0,1]=4 1027 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 SBB053855 [0,2,0,0,0,0|1,0,1]=4 1028 B11R1.22 COC(=O)C1=CC=C(C)C=C1 SBB064103 [0,2,0,0,0,0|1,0,1]=4 1029 B11R1.22 COC(=O)C1=CC=C(C)N=C1 SBB053798 [0,2,0,0,0,0|0,0,1]=3 1030 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 SBB005815 [0,2,0,0,0,0|1,0,1]=4 1031 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SBB015053 [0,2,0,0,0,0|1,0,1]=4 1032 B11R1.22 COC(=O)C1=CN=C(F)C=C1 SBB065264 [0,2,0,0,0,0|1,0,1]=4 1033 B11R1.22 COC(=O)C1=NC=C(C)N=C1 SBB053940 [0,2,0,0,0,0|1,0,1]=4 1034 B11R1.81 CC1=CC=C(CC#N)C(F)=C1 SBB064682 [0,2,0,0,0,0|1,0,1]=4 1035 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 SBB088977 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.81 CCOC1=C(F)C=C(Cl)C=C1 SBB088962 [0,2,0,0,0,0|2,0,0]=4 1037 B11R1.81 CCOC1=CC=C(Br)C=C1N SBB072961 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.81 CCOC1=CC=C(C)C=C1C SBB061026 [0,2,0,0,0,0|1,0,0]=3 1039 B11R1.81 CCOC1=CC=C(Cl)C=C1Cl SBB061031 [0,2,0,0,0,0|2,0,0]=4 1040 B11R1.81 CCOC1=CC=C(F)C=C1N SBB073487 [0,2,0,0,0,0|2,0,0]=4 1041 B11R1.81 CCSC1=C(N)C=C(Cl)C=C1 SBB013592 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl SBB091049 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.83 CCC1=CC=C(CC#N)C=C1 SBB065173 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.83 CCC1=CC=C(N=C=O)C=C1 SBB046954 [0,2,0,0,0,0|1,0,1]=4 1045 B11R1.83 CCC1=CC=C(N=C=S)C=C1 SBB030516 [0,2,0,0,0,0|1,0,1]=4 1046 B11R1.83 CCC1=CN=C(CCO)C=C1 SBB055692 [0,2,0,0,0,0|0,0,0]=2 1047 B11R1.83 CCCC1=CC=C(C#N)C=C1 SBB059145 [0,2,0,0,0,0|1,0,1]=4 1048 B11R1.83 CCCC1=CC=C(C=O)C=C1 SBB059136 [0,2,0,0,0,0|1,0,1]=4 1049 B11R1.83 CCCC1=CC=C(CN)C=C1 SBB059679 [0,2,0,0,0,0|1,0,0]=3 1050 B11R1.83 CCCC1=CC=C(OC)C=C1 SBB007737 [0,2,0,0,0,0|1,0,0]=3 1051 B11R1.83 CCNC1=CC=C(CC)C=C1 SBB072094 [0,2,0,0,0,0|1,0,0]=3 1052 B11R1.83 CCOC1=CC=C(C#N)C=C1 SBB055390 [0,2,0,0,0,0|1,0,1]=4 1053 B11R1.83 CCOC1=CC=C(C=O)C=C1 SBB016657 [0,2,0,0,0,0|1,0,1]=4 1054 B11R1.83 CCOC1=CC=C(CBr)C=C1 SBB081616 [0,2,0,0,0,0|1,0,0]=3 1055 B11R1.83 CCOC1=CC=C(CN)C=C1 SBB017652 [0,2,0,0,0,0|1,0,0]=3 1056 B11R1.83 CCSC1=CC=C(C=O)C=C1 SBB079149 [0,2,0,0,0,0|1,0,1]=4 1057 B11R1.83 CNCC1=CC=C(OC)C=C1 SBB086791 [0,2,0,0,0,0|1,0,0]=3 1058 B11R1.83 COC1=CC=C(CC#N)C=C1 SBB055070 [0,2,0,0,0,0|1,0,1]=4 1059 B11R1.83 COC1=CC=C(CC=O)C=C1 SBB052209 [0,2,0,0,0,0|1,0,1]=4 1060 B11R1.83 COC1=CC=C(CCN)C=C1 SBB058795 [0,2,0,0,0,0|1,0,0]=3 1061 B11R1.83 COC1=CC=C(CON)C=C1 SBB091016 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.83 N#CC1=CC=C(CCO)C=C1 SBB086537 [0,2,0,0,0,0|1,0,1]=4 1063 B11R1.192 CCOC1=CC(Cl)=C(F)C=C1 SBB088965 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 SBB088963 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.192 CCOC1=CC(F)=C(F)C=C1 SBB087276 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.192 CCOC1=CC=C(N)C(F)=C1 SBB071686 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.192 NCCC1=CC(O)=C(O)C=C1 SBB003668 [0,2,0,0,0,0|2,0,0]=4 1068 B11R1.192 NCCC1=CC=C(F)C(F)=C1 SBB084443 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.192 OC1=C(O)C=C(CCN)C=C1 SBB004044 [0,2,0,0,0,0|2,0,0]=4 1070 B11R1.192 OCCC1=CC=C(F)C(Cl)=C1 SBB088968 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.192 OCCC1=CC=C(F)C(F)=C1 SBB087275 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 SBB055505 [0,2,0,0,0,0|1,0,1]=4 1073 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SBB086428 [0,2,0,0,0,0|1,0,1]=4 1074 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 SBB040237 [0,2,0,0,0,0|1,0,1]=4 1075 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 SBB042664 [0,2,0,0,0,0|1,0,0]=3 1076 B11R1.3 CC(C)C1=CC=C(CN)C=C1 SBB017646 [0,2,0,0,0,0|1,0,0]=3 1077 B11R1.3 CC(C)C1=CC=C(CO)C=C1 SBB065188 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.3 CC(C)C1=CC=C(NN)C=C1 SBB063839 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.3 CCC1=CC=C(B(O)O)C=C1 SBB048066 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.3 CCC1=CC=C(C(=N)N)C=C1 SBB073190 [0,2,0,0,0,0|1,0,1]=4 1081 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 SBB006540 [0,2,0,0,0,0|1,0,1]=4 1082 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 SBB037877 [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 SBB040909 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.3 CCC1=CC=C(C(C)N)C=C1 SBB016483 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.3 CCC1=CC=C(C(N)=O)C=C1 SBB116864 [0,2,0,0,0,0|1,0,1]=4 1086 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 SBB016505 [0,2,0,0,0,0|1,0,1]=4 1087 B11R1.3 CCC1=CC=C([N+](=O)[O-])C=C1 SBB060635 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.3 CN(C)C1=CC=C(C=O)C=N1 SBB086715 [0,2,0,0,0,0|1,0,1]=4 1089 B11R1.3 CN(C)C1=CC=C(CO)C=C1 SBB059054 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=N1 SBB086901 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.3 COC1=CC=C(B(O)O)C=N1 SBB052568 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.3 COC1=CC=C(C(C)=O)C=C1 SBB040242 [0,2,0,0,0,0|1,0,1]=4 1093 B11R1.3 COC1=CC=C(C(C)N)C=C1 SBB007015 [0,2,0,0,0,0|1,0,0]=3 1094 B11R1.3 COC1=NC=C(C(=O)O)C=C1 SBB012818 [0,2,0,0,0,0|1,0,1]=4 1095 B11R1.3 CSC1=CC=C(B(O)O)C=N1 SBB071129 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 SBB088031 [0,2,0,0,0,0|1,0,1]=4 1097 B11R1.279 COC1=C(Br)C=C(CO)C=C1 SBB110877 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 SBB093974 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.279 COC1=C(Cl)N=C(SC)N=C1 SBB091204 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.279 COC1=C(F)C=C(CCl)C=C1 SBB088970 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.279 COC1=C(F)C=C(CO)C=C1 SBB087143 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.279 COC1=C(O)C=C(CN)C=C1 SBB012609 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.279 COC1=CC(F)=C(CBr)C=C1 SBB095704 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.279 COC1=CC(F)=C(OC)C=C1 SBB087138 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.279 COC1=CC(N)=C(OC)C=C1 SBB007581 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.279 COC1=CC(S)=C(OC)C=C1 SBB058944 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.279 COC1=CC=C(CBr)C=C1F SBB095696 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.279 COC1=CC=C(CN)C=C1F SBB087071 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.279 COC1=CC=C(CO)C(F)=C1 SBB064792 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.279 COC1=CC=C(CO)C=C1O SBB064953 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 SBB116863 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.279 COC1=CNC(CO)=CC1=O SBB087058 [0,2,0,0,0,0|1,0,1]=4 1113 B11R1.279 COC1=COC(CCl)=CC1=O SBB116036 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.279 COC1=COC(CO)=CC1=O SBB087126 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 SBB054162 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 SBB007738 [0,2,0,0,0,0|2,0,0]=4 1117 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 SBB060742 [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 SBB052375 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 SBB052370 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.19 CC(C)(O)C1=CC=C(F)C=C1 SBB087016 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 SBB052376 [0,2,0,0,0,0|1,0,0]=3 1122 B11R1.19 CC1=CC=C(C(C)(C)O)C=C1 SBB063535 [0,2,0,0,0,0|1,0,0]=3 1123 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 SBB087416 [0,2,0,0,0,0|2,0,0]=4 1124 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 SBB059073 [0,2,0,0,0,0|2,0,0]=4 1125 B11R1.19 ClC1=NC=C(C(Cl)(Cl)Cl)C=C1 SBB038304 [0,2,0,0,0,0|2,0,0]=4 1126 B11R1.19 FC(F)(F)C1=CC=C(Cl)N=C1 SBB006728 [0,2,0,0,0,0|2,0,0]=4 1127 B11R1.19 FC(F)(F)C1=CN=C(Br)C=C1 SBB054390 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.19 FC(F)(F)C1=CN=C(S)C=C1 SBB062700 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.19 FC1=NC=C(C(F)(F)F)C=C1 SBB054394 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.19 NC1=NC=C(C(F)(F)F)C=C1 SBB005500 [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.19 OC1=NC=C(C(F)(F)F)C=C1 SBB055714 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 SBB063673 [0,2,0,0,0,0|1,0,1]=4 1133 B11R1.21 CC(=O)C1=CC=C(C)C(F)=C1 SBB086851 [0,2,0,0,0,0|1,0,1]=4 1134 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 SBB013738 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 SBB009345 [0,2,0,0,0,0|1,0,0]=3 1136 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 SBB060790 [0,2,0,0,0,0|1,0,0]=3 1137 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 SBB086842 [0,2,0,0,0,0|1,0,1]=4 1138 B11R1.166 CC(=O)C1=CC=C(C)C=C1C SBB058451 [0,2,0,0,0,0|1,0,1]=4 1139 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 SBB046783 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB059023 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB073013 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 SBB020377 [0,2,0,0,0,0|1,0,0]=3 1143 B11R1.166 CC1=CC(C)=C([N+](=O)[O-])C=N1 SBB055686 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 SBB060429 [0,2,0,0,0,0|1,0,0]=3 1145 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 SBB053040 [0,2,0,0,0,0|1,0,1]=4 1146 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 SBB003843 [0,2,0,0,0,0|1,0,1]=4 1147 B11R1.166 CC1=CC=C([N+](=O)[O-])C(C)=N1 SBB065626 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.166 CC1=NC(Cl)=C(N(=O)=O)C=C1 SBB003832 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 SBB028469 [0,2,0,0,0,0|1,0,1]=4 1150 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1F SBB070347 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.37 C(=O)C1=C(OC)C=CC(C)=C1 SBB017648 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.37 CCC1=C(CC)N=C(C)C=N1 SBB057797 [0,2,0,0,0,0|1,0,0]=3 1153 B11R1.37 COC1=NC(C)=CC=C1C#N SBB072562 [0,2,0,0,0,0|1,0,1]=4 1154 B11R1.37 CSC1=NC(C)=CC=C1C#N SBB087827 [0,2,0,0,0,0|1,0,1]=4 1155 B11R1.277 NC1=C(OC)C=C(Cl)C(C)=C1 SBB003840 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.278 CC1=C(F)C(F)=C(CN)C=C1 SBB028326 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.278 COC1=C(Cl)C(=O)N(C)N=C1 SBB055929 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.278 COC1=CC=C(C)C(F)=C1F SBB087283 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.464 CC1=CC(C)=C(CCl)C(C)=C1 SBB048015 [0,2,0,0,0,0|2,0,0]=4 1160 B11R1.464 CC1=CC(C)=C(CO)C(C)=C1 SBB064793 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.464 CC1=CC(C)=NC(Cl)=C1C#N SBB017609 [0,2,0,0,0,0|1,0,1]=4 1162 B11R1.464 CC1=CC(C)=NC(N)=C1C#N SBB015833 [0,2,0,0,0,0|1,0,1]=4 1163 B11R1.464 CC1=CC(C)=NC(O)=C1C#N SBB004084 [0,2,0,0,0,0|1,0,1]=4 1164 B11R1.464 CC1=CC(C)=NC(S)=C1C#N SBB005712 [0,2,0,0,0,0|1,0,1]=4 1165 B11R1.464 CCC1=C(Cl)N=C(N)N=C1C SBB010533 [0,2,0,0,0,0|2,0,0]=4 1166 B11R1.464 CCC1=C(O)N=C(N)N=C1O SBB027685 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.280 CCC1=CC(OC)=C(O)C=C1 SBB008068 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 SBB079031 [0,2,0,0,0,0|2,0,0]=4 1169 B9R1.3 CC1=NC=CC(C)=C1N SBB051855 [0,0,1,1,0,0|1,0,1]=4 1170 B9R1.3 CC1=NC=CC(C)=C1O SBB055655 [0,0,1,1,0,0|1,0,1]=4 1171 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 SBB064278 [0,1,0,1,0,0|2,0,0]=4 1172 B11R2.36 BrC1=CC2=C(C=C1)OCC2 SBB092410 [0,1,0,1,0,0|2,0,0]=4 1173 B11R2.36 ClC1=CC2=C(C=C1)NCC2 SBB010106 [0,1,0,1,0,0|2,0,0]=4 1174 B11R2.36 FC1=CC=C2NCCC2=C1 SBB085967 [0,1,0,1,0,0|2,0,0]=4 1175 B11R2.36 IC1=CC=C2OCCC2=C1 SBB100062 [0,1,0,1,0,0|2,0,0]=4 1176 B11R2.36 NC1=CC2=C(C=C1)CCC2 SBB028245 [0,1,0,1,0,0|2,0,0]=4 1177 B11R2.36 NC1=NC2=C(C=N1)CCO2 SBB050561 [0,1,0,1,0,0|2,0,0]=4 1178 B11R2.36 NC1=NC=C2CCCC2=N1 SBB027145 [0,1,0,1,0,0|2,0,0]=4 1179 B7R1.1 BrCC1=CSC=C1 SBB070721 [1,0,0,0,1,0|2,0,0]=4 1180 B7R1.1 BrCC1=CSC=N1 SBB054932 [1,0,0,0,1,0|2,0,0]=4 1181 B7R1.1 CCN1C=CC=N1 SBB020346 [1,0,0,0,1,0|1,0,0]=3 1182 B7R1.1 CCN1C=CN=C1 SBB045396 [1,0,0,0,1,0|1,0,0]=3 1183 B7R1.1 CSC1=CC=CS1 SBB085766 [1,0,0,0,1,0|2,0,0]=4 1184 B7R1.1 CSC1=CSC=C1 SBB055747 [1,0,0,0,1,0|2,0,0]=4 1185 B7R1.1 ClCC1=CC=NO1 SBB013787 [1,0,0,0,1,0|2,0,0]=4 1186 B7R1.1 ClCC1=CSC=N1 SBB054935 [1,0,0,0,1,0|2,0,0]=4 1187 B7R1.1 ClCC1=NOC=C1 SBB013648 [1,0,0,0,1,0|2,0,0]=4 1188 B7R1.1 NCC1=CC=CO1 SBB004376 [1,0,0,0,1,0|2,0,0]=4 1189 B7R1.1 NCC1=CC=CS1 SBB004315 [1,0,0,0,1,0|2,0,0]=4 1190 B7R1.1 NCC1=CN=CS1 SBB047473 [1,0,0,0,1,0|2,0,0]=4 1191 B7R1.1 NCC1=CNN=C1 SBB026489 [1,0,0,0,1,0|2,0,0]=4 1192 B7R1.1 NCC1=CSC=C1 SBB079179 [1,0,0,0,1,0|2,0,0]=4 1193 B7R1.1 NCC1=CSC=N1 SBB047472 [1,0,0,0,1,0|2,0,0]=4 1194 B7R1.1 NCC1=NC=CN1 SBB013485 [1,0,0,0,1,0|2,0,0]=4 1195 B7R1.1 NCC1=NC=CN1 SBB052487 [1,0,0,0,1,0|2,0,0]=4 1196 B7R1.1 NCC1=NC=CS1 SBB052479 [1,0,0,0,1,0|2,0,0]=4 1197 B7R1.1 NCC1=NNC=C1 SBB020888 [1,0,0,0,1,0|2,0,0]=4 1198 B7R1.1 OCC1=CC=CO1 SBB004373 [1,0,0,0,1,0|2,0,0]=4 1199 B7R1.1 OCC1=CC=CS1 SBB058563 [1,0,0,0,1,0|2,0,0]=4 1200 B7R1.1 OCC1=CC=NN1 SBB014141 [1,0,0,0,1,0|2,0,0]=4 1201 B7R1.1 OCC1=CN=CS1 SBB066375 [1,0,0,0,1,0|2,0,0]=4 1202 B7R1.1 OCC1=CNC=N1 SBB004207 [1,0,0,0,1,0|2,0,0]=4 1203 B7R1.1 OCC1=CNC=N1 SBB054821 [1,0,0,0,1,0|2,0,0]=4 1204 B7R1.1 OCC1=CNN=C1 SBB073660 [1,0,0,0,1,0|2,0,0]=4 1205 B7R1.1 OCC1=CSC=C1 SBB004309 [1,0,0,0,1,0|2,0,0]=4 1206 B7R1.1 OCC1=CSC=N1 SBB066562 [1,0,0,0,1,0|2,0,0]=4 1207 B7R1.1 OCC1=NC=CN1 SBB054820 [1,0,0,0,1,0|2,0,0]=4 1208 B7R1.1 OCC1=NC=CS1 SBB054805 [1,0,0,0,1,0|2,0,0]=4 1209 B7R1.1 SCC1=CC=CO1 SBB004308 [1,0,0,0,1,0|2,0,0]=4 1210 B7R1.2 CC1=CC(C)=NN1 SBB004377 [1,0,0,0,1,0|1,0,0]=3 1211 B7R1.2 CC1=CC(C)=NO1 SBB042637 [1,0,0,0,1,0|1,0,0]=3 1212 B7R1.2 CC1=CC(N)=NO1 SBB005553 [1,0,0,0,1,0|2,0,0]=4 1213 B7R1.2 CC1=CC=C(C)N1 SBB059455 [1,0,0,0,1,0|0,0,1]=3 1214 B7R1.2 CC1=CC=C(Cl)S1 SBB054408 [1,0,0,0,1,0|2,0,0]=4 1215 B7R1.2 CC1=CN(C)C=N1 SBB073385 [1,0,0,0,1,0|1,0,0]=3 1216 B7R1.2 CC1=CN(C)N=C1 SBB073292 [1,0,0,0,1,0|1,0,0]=3 1217 B7R1.2 CC1=CN=C(Br)S1 SBB054420 [1,0,0,0,1,0|2,0,0]=4 1218 B7R1.2 CC1=CN=C(N)S1 SBB028194 [1,0,0,0,1,0|2,0,0]=4 1219 B7R1.2 CC1=CNC(C)=C1 SBB059454 [1,0,0,0,1,0|0,0,1]=3 1220 B7R1.2 CC1=COC(N)=N1 SBB051930 [1,0,0,0,1,0|2,0,0]=4 1221 B7R1.2 CC1=CSC(Br)=N1 SBB054421 [1,0,0,0,1,0|2,0,0]=4 1222 B7R1.2 CC1=CSC(S)=N1 SBB041075 [1,0,0,0,1,0|2,0,0]=4 1223 B7R1.2 CC1=NN(C)C=C1 SBB015024 [1,0,0,0,1,0|1,0,0]=3 1224 B7R1.2 CC1=NNC(C)=N1 SBB108831 [1,0,0,0,1,0|2,0,0]=4 1225 B7R1.2 CC1=NNC(N)=C1 SBB004375 [1,0,0,0,1,0|2,0,0]=4 1226 B7R1.2 CC1=NOC(N)=C1 SBB006539 [1,0,0,0,1,0|2,0,0]=4 1227 B7R1.2 CC1=NSC(N)=C1 SBB004066 [1,0,0,0,1,0|2,0,0]=4 1228 B7R1.2 CN1C=C(Br)C=N1 SBB019150 [1,0,0,0,1,0|2,0,0]=4 1229 B7R1.2 CN1C=C(Cl)C=N1 SBB047361 [1,0,0,0,1,0|2,0,0]=4 1230 B7R1.2 CN1C=C(I)C=N1 SBB027265 [1,0,0,0,1,0|2,0,0]=4 1231 B7R1.2 CN1C=C(N)C=N1 SBB009607 [1,0,0,0,1,0|2,0,0]=4 1232 B7R1.2 CN1C=CC(Br)=N1 SBB051488 [1,0,0,0,1,0|2,0,0]=4 1233 B7R1.2 CN1C=CC(I)=N1 SBB093951 [1,0,0,0,1,0|2,0,0]=4 1234 B7R1.2 CN1C=CC(N)=N1 SBB019460 [1,0,0,0,1,0|2,0,0]=4 1235 B7R1.2 N1C=C(C)N=C1C SBB004378 [1,0,0,0,1,0|1,0,0]=3 1236 B7R1.2 N1C=C(C)N=C1S SBB059569 [1,0,0,0,1,0|2,0,0]=4 1237 B7R1.2 NC1=NC(C)=CS1 SBB004307 [1,0,0,0,1,0|2,0,0]=4