0 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 C#CC1=CC=CC=C1 SBB040919 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.2 C#CC1=CC=CC=N1 SBB006619 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 C#CC1=CC=CN=C1 SBB065464 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 C=CC1=NC=CN=C1 SBB055880 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.2 CCC1=CC=CC=C1 SBB040891 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 CCC1=CC=CC=N1 SBB060373 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 CCC1=CC=NC=C1 SBB061128 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 CCC1=CN=CC=C1 SBB060374 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 CNC1=CC=CC=C1 SBB008162 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 CNC1=CC=CC=C1 SBB059778 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 CNC1=NC=CN=C1 SBB018751 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.2 CSC1=NCCCS1 SBB056240 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.2 CSC1=NN=CC=N1 SBB085690 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 N#CC1=CC=CC=C1 SBB028746 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 N#CC1=CC=CN=C1 SBB007554 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 N#CC1=NC=CC=C1 SBB008920 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 N#CC1=NC=CC=N1 SBB048115 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 N#CC1=NC=CN=C1 SBB055876 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 NCC1=CC=CC=C1 SBB040473 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 NCC1=CC=CN=C1 SBB004351 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 NCC1=NC=CC=C1 SBB004352 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.2 NCC1=NC=CN=C1 SBB014584 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 NCC1=NC=NC=C1 SBB086444 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.2 NNC1=CC=CC=C1 SBB040886 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 NNC1=CC=CN=N1 SBB055934 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.2 NNC1=NC=CC=N1 SBB047725 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.2 O=CC1=CN=CN=C1 SBB065690 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.2 O=CC1=NC=CC=C1 SBB004358 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 O=CC1=NC=CC=N1 SBB052320 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.2 O=CC1=NC=CN=C1 SBB052318 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.2 OCC1=CC=CC=C1 SBB058558 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.2 OCC1=CC=CN=C1 SBB004344 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.2 OCC1=CC=CN=N1 SBB054829 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.2 OCC1=CN=CN=C1 SBB065691 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.2 OCC1=NC=CC=C1 SBB004348 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.2 OCC1=NC=CN=C1 SBB054824 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.2 OCC1=NC=NC=C1 SBB054828 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.2 ONC1=CC=CC=C1 SBB008413 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [0,0,0,0,0,0|3,0,1]=4 42 B8R1.2 [NH3+]NC1=CC=CC=C1 SBB060000 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.3 BrC1=CC=CN=C1 SBB003998 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.3 BrC1=CN=CN=C1 SBB054477 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.3 BrC1=NC=CC=C1 SBB003999 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 BrC1=NC=CC=N1 SBB054484 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 BrC1=NC=CN=C1 SBB087333 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.3 BrC1=NC=NC=C1 SBB054515 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 CC1=CN=CC=N1 SBB060830 [1,0,0,0,0,0|0,0,0]=1 50 B7R1.3 ClC1=CC=CC=C1 SBB040899 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.3 ClC1=CC=CN=N1 SBB054542 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.3 ClC1=NC=CC=C1 SBB079180 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 ClC1=NC=CC=N1 SBB054479 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.3 ClC1=NC=NC=C1 SBB054514 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.3 FC1=CC=CN=C1 SBB054315 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.3 FC1=NC=CC=C1 SBB062911 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 IC1=CC=CN=C1 SBB054246 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.3 IC1=NC=CC=C1 SBB054364 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 IC1=NC=CN=C1 SBB093563 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.3 NC1=CC=CC=N1 SBB004394 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 NC1=CC=CN=N1 SBB051973 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 NC1=CC=NC=N1 SBB028163 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.3 NC1=CN=CC=C1 SBB004395 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.3 NC1=CN=CC=N1 SBB004388 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.3 NC1=CN=CN=C1 SBB051965 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.3 NC1=NC=CC=N1 SBB004387 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.3 NC1=NN=CC=N1 SBB004379 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.3 O=C1C=CC=NN1 SBB005360 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.3 O=C1N=CC=CN1 SBB004216 [1,0,0,0,0,0|2,1,0]=4 70 B7R1.3 OC1=CC=CC=N1 SBB004392 [1,0,0,0,0,0|1,1,0]=3 71 B7R1.3 OC1=CN=CC=C1 SBB004391 [1,0,0,0,0,0|1,1,0]=3 72 B7R1.3 OC1=NC=CC=N1 SBB004380 [1,0,0,0,0,0|2,1,0]=4 73 B7R1.3 OC1=NC=NC=C1 SBB055919 [1,0,0,0,0,0|2,1,0]=4 74 B7R1.3 SC1=CC=CC=N1 SBB058593 [1,0,0,0,0,0|1,0,0]=2 75 B7R1.3 SC1=NC=CC=N1 SBB007595 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 C(=O)C1=CC=C(Cl)N=C1 SBB004157 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.1 CC1=CN=C(C#N)C=C1 SBB055740 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.1 CC1=CN=C(CN)C=N1 SBB052489 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 CC1=NC=C(C#N)C=C1 SBB065528 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.1 CNC1=NC=C(Br)C=N1 SBB090683 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.1 CNC1=NN=C(Cl)C=C1 SBB010299 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [0,1,0,0,0,0|2,1,0]=4 92 B9R1.1 COC1=CC=C(Br)C=N1 SBB059393 [0,1,0,0,0,0|1,1,0]=3 93 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [0,1,0,0,0,0|2,1,0]=4 94 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [0,1,0,0,0,0|2,1,0]=4 95 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [0,1,0,0,0,0|2,1,0]=4 96 B9R1.1 COC1=CC=C(I)N=N1 SBB054551 [0,1,0,0,0,0|2,1,0]=4 97 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [0,1,0,0,0,0|2,1,0]=4 98 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [0,1,0,0,0,0|2,1,0]=4 99 B9R1.1 COC1=CN=C(N)C=N1 SBB069821 [0,1,0,0,0,0|0,1,0]=2 100 B9R1.1 COC1=NC=C(Br)C=N1 SBB090872 [0,1,0,0,0,0|2,1,0]=4 101 B9R1.1 COC1=NC=C(F)C=C1 SBB085672 [0,1,0,0,0,0|1,1,0]=3 102 B9R1.1 COC1=NC=C(N)C=C1 SBB016584 [0,1,0,0,0,0|1,1,0]=3 103 B9R1.1 COC1=NC=C(N)C=N1 SBB051954 [0,1,0,0,0,0|2,1,0]=4 104 B9R1.1 COC1=NN=C(Cl)C=C1 SBB004124 [0,1,0,0,0,0|2,1,0]=4 105 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.1 ClCC1=CN=C(Cl)C=C1 SBB003948 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.1 N#CC1=CC=C(Cl)N=C1 SBB054388 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.1 N#CC1=CN=C(Br)C=C1 SBB054266 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.1 N#CC1=CN=C(N)C=C1 SBB004293 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.1 N#CC1=NC=C(Br)C=C1 SBB055727 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.1 N#CC1=NC=C(Cl)C=C1 SBB055739 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.1 N#CC1=NC=C(N)C=C1 SBB055614 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.1 N#CC1=NC=C(N)N=C1 SBB055885 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.1 N#CC1=NC=C(O)C=C1 SBB065240 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.1 NC1=CC=C(CO)C=N1 SBB085554 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.1 NCC1=CC=C(Cl)N=C1 SBB049618 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.1 NCC1=CC=C(N)N=C1 SBB052464 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.1 NNC1=CC=C(Br)C=N1 SBB068975 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 O=CC1=CC=C(F)N=C1 SBB052255 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.1 O=CC1=CC=C(O)N=C1 SBB052249 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.1 O=CC1=CN=C(Br)C=C1 SBB052244 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.1 O=CC1=NC=C(Br)C=C1 SBB052231 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.1 O=CC1=NC=C(Cl)C=C1 SBB086215 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.1 O=CC1=NC=C(F)C=C1 SBB065526 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.1 OCC1=CC=C(F)N=C1 SBB065619 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.1 OCC1=CN=C(Cl)C=C1 SBB054780 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.1 OCC1=NC=C(Br)C=C1 SBB065294 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.1 OCC1=NC=C(Cl)C=C1 SBB086303 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.2 C(=O)C1=CC=CC(C)=N1 SBB004287 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.2 CC1=CC(C#N)=NC=C1 SBB055617 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.2 CC1=CC(C=O)=NC=C1 SBB052226 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.2 CC1=CN=CC(C#N)=C1 SBB065284 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.2 CNC1=CC(Cl)=CC=C1 SBB086218 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.2 CNC1=CC=NC(Cl)=N1 SBB051952 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.2 CNC1=NC=CC(N)=N1 SBB085558 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.2 COC1=CC(Br)=CC=C1 SBB007886 [0,1,0,0,0,0|2,1,0]=4 149 B9R1.2 COC1=CC(F)=CC=C1 SBB085642 [0,1,0,0,0,0|2,1,0]=4 150 B9R1.2 COC1=CC(O)=CC=C1 SBB060932 [0,1,0,0,0,0|2,1,0]=4 151 B9R1.2 COC1=CC=CC(Br)=N1 SBB054383 [0,1,0,0,0,0|1,1,0]=3 152 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [0,1,0,0,0,0|2,1,0]=4 153 B9R1.2 COC1=CC=CC(F)=N1 SBB085671 [0,1,0,0,0,0|1,1,0]=3 154 B9R1.2 COC1=CC=CC(I)=C1 SBB059058 [0,1,0,0,0,0|2,1,0]=4 155 B9R1.2 COC1=CC=CC(N)=C1 SBB040499 [0,1,0,0,0,0|2,1,0]=4 156 B9R1.2 COC1=CC=CC(N)=N1 SBB051862 [0,1,0,0,0,0|1,1,0]=3 157 B9R1.2 COC1=CC=NC(Cl)=N1 SBB054496 [0,1,0,0,0,0|2,1,0]=4 158 B9R1.2 COC1=CN=CC(Br)=C1 SBB054402 [0,1,0,0,0,0|1,1,0]=3 159 B9R1.2 COC1=NC(N)=NC=C1 SBB051950 [0,1,0,0,0,0|2,1,0]=4 160 B9R1.2 COC1=NC=CC(Br)=C1 SBB054328 [0,1,0,0,0,0|1,1,0]=3 161 B9R1.2 COC1=NC=CC(N)=C1 SBB051798 [0,1,0,0,0,0|1,1,0]=3 162 B9R1.2 COC1=NC=NC(Cl)=C1 SBB079086 [0,1,0,0,0,0|2,1,0]=4 163 B9R1.2 CSC1=NC(C)=CC=N1 SBB086177 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.2 CSC1=NC=CC(=O)N1 SBB062854 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.2 CSC1=NC=CC(Cl)=N1 SBB054478 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.2 CSC1=NC=CC(N)=N1 SBB051949 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.2 CSC1=NN=CC(=O)N1 SBB015202 [0,1,0,0,0,0|1,0,1]=3 168 B9R1.2 ClCC1=CC(Br)=CN=C1 SBB054923 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.2 N#CC1=CC(Br)=CN=C1 SBB040176 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.2 N#CC1=CN=CC(O)=C1 SBB065305 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.2 N#CC1=NC(Br)=CC=C1 SBB065236 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.2 N#CC1=NC(Cl)=CC=C1 SBB054389 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.2 N#CC1=NC(F)=CC=C1 SBB065533 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.2 N#CC1=NC=CC(Br)=C1 SBB016160 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.2 N#CC1=NC=CC(N)=C1 SBB055731 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.2 NC1=NC=NC(OC)=C1 SBB004268 [0,1,0,0,0,0|2,1,0]=4 177 B9R1.2 NCC1=CC(Br)=CN=C1 SBB090527 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.2 NNC1=NC(Cl)=CC=C1 SBB017872 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.2 O=CC1=CC(Br)=CN=C1 SBB052232 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.2 O=CC1=CN=CC(F)=C1 SBB065432 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.2 O=CC1=NC(Br)=CC=C1 SBB052238 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.2 O=CC1=NC(Cl)=CC=C1 SBB052254 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.2 OCC1=CC(Br)=CN=C1 SBB065467 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.2 OCC1=CC(Cl)=CC=N1 SBB065656 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.2 OCC1=NC(Cl)=CC=C1 SBB054794 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [0,1,0,0,0,0|1,0,0]=2 190 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.6 CC(=O)C1=NC=CC=N1 SBB055904 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.6 N=C(N)C1=CC=CC=N1 SBB087246 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.6 N=C(N)C1=NC=CN=C1 SBB055879 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.6 NC(=O)C1=CC=CC=N1 SBB008128 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.6 NC(=O)C1=CN=CC=N1 SBB004276 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.6 NC(=S)C1=CC=CC=N1 SBB017638 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.6 NC(=S)C1=CN=CC=C1 SBB028259 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.6 NC(=S)C1=CN=CC=N1 SBB028262 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.6 O=C(Cl)C1=CC=CN=C1 SBB005806 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.6 O=C(Cl)C1=CN=CC=N1 SBB010290 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.6 O=C(Cl)C1=NC=CC=C1 SBB053631 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.6 O=C(O)C1=NC=CN=C1 SBB000051 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 SBB065520 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.6 OB(O)C1=CN=CC=C1 SBB025625 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.6 OB(O)C1=NC=CC=C1 SBB052574 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.8 CNCC1=NC=CN=C1 SBB014431 [0,1,0,0,0,0|1,0,0]=2 228 B9R1.8 COCC1=CC=CC=C1 SBB063549 [0,1,0,0,0,0|2,1,0]=4 229 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.8 N#CCC1=CC=CN=C1 SBB027148 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.8 N#CCC1=NC=CC=C1 SBB049639 [0,1,0,0,0,0|2,0,1]=4 232 B9R1.8 N#CSC1=CC=CC=C1 SBB060831 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [0,1,0,0,0,0|2,0,0]=3 235 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [0,1,0,0,0,0|2,0,0]=3 236 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [0,1,0,0,0,0|1,0,0]=2 238 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.8 O\N=C\C1=CC=CN=C1 SBB004285 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.8 O\N=C\C1=NC=CC=C1 SBB004284 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.8 SCCC1=NC=CN=C1 SBB067078 [0,1,0,0,0,0|1,0,0]=2 242 B9R1.15 BrCC1=CC=CN=C1Br SBB070876 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.15 C(=O)C1=CC=CN=C1Cl SBB004156 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.15 CC1=C(C=O)C=NC=C1 SBB052236 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.15 CC1=C(CBr)N=CC=C1 SBB021212 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.15 CC1=CC=CN=C1C#N SBB055741 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.15 CC1=CC=CN=C1C=O SBB052241 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.15 CC1=CC=CN=C1CN SBB052454 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.15 CC1=CC=NC=C1C#N SBB055519 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.15 CCC1=C(N)C=CC=C1 SBB040452 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.15 CCC1=CC=CC=C1C SBB061450 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.15 CNC1=CC=CC=C1Cl SBB086216 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.15 CNC1=CC=CC=C1F SBB051706 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.15 CNC1=CC=CC=C1N SBB071575 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.15 COC1=C(I)N=CC=C1 SBB098345 [0,1,0,0,0,0|1,1,0]=3 256 B9R1.15 COC1=C(N)C=CC=C1 SBB028142 [0,1,0,0,0,0|2,1,0]=4 257 B9R1.15 COC1=C(O)C=CC=C1 SBB058681 [0,1,0,0,0,0|2,1,0]=4 258 B9R1.15 COC1=CC=CC=C1Cl SBB060957 [0,1,0,0,0,0|2,1,0]=4 259 B9R1.15 COC1=CC=CC=C1F SBB040818 [0,1,0,0,0,0|2,1,0]=4 260 B9R1.15 COC1=CC=CN=C1Br SBB005633 [0,1,0,0,0,0|1,1,0]=3 261 B9R1.15 COC1=CC=CN=C1N SBB051907 [0,1,0,0,0,0|1,1,0]=3 262 B9R1.15 COC1=CC=CN=C1O SBB046500 [0,1,0,0,0,0|1,1,0]=3 263 B9R1.15 COC1=NC=CN=C1N SBB051948 [0,1,0,0,0,0|0,1,0]=2 264 B9R1.15 CSC1=C(Br)C=CC=C1 SBB006566 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.15 CSC1=C(C)N=CC=N1 SBB008573 [0,1,0,0,0,0|0,0,0]=1 266 B9R1.15 CSC1=C(Cl)C=CC=C1 SBB058978 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.15 CSC1=NC=CC=C1N SBB072554 [0,1,0,0,0,0|1,0,0]=2 268 B9R1.15 N#CC1=C(Br)C=CN=C1 SBB065311 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.15 N#CC1=C(F)N=CC=C1 SBB065300 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.15 N#CC1=C(I)C=CN=C1 SBB065313 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.15 N#CC1=C(O)N=CC=C1 SBB065243 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.15 N#CC1=CC=CN=C1Cl SBB013480 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.15 N#CC1=CC=CN=C1N SBB028201 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.15 N#CC1=NC=CC=C1Br SBB065323 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.15 N#CC1=NC=CC=C1Cl SBB065258 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.15 N#CC1=NC=CC=C1F SBB065259 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.15 N#CC1=NC=CC=C1I SBB065324 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.15 N#CC1=NC=CN=C1Cl SBB055887 [0,1,0,0,0,0|2,0,0]=3 279 B9R1.15 NC1=C(C=O)C=NC=C1 SBB014341 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.15 NC1=CC=NC=C1CO SBB054791 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.15 NC1=NC=CC=C1C=O SBB012985 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.15 NC1=NC=CC=C1CO SBB054786 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.15 NNC1=NC=CC=C1Cl SBB068633 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.15 O=CC1=CC=CN=C1Br SBB052224 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.15 O=CC1=CC=CN=C1F SBB065263 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.15 O=CC1=CN=CC=C1Cl SBB065433 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.15 O=CC1=NC=CC=C1F SBB065527 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.15 OCC1=C(O)C=CC=N1 SBB085588 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.15 OCC1=CC=CN=C1Cl SBB054785 [0,1,0,0,0,0|3,0,0]=4 290 B7R1.1 BrCC1=CSC=C1 SBB070721 [0,0,0,0,1,0|3,0,0]=4 291 B7R1.1 BrCC1=CSC=N1 SBB054932 [0,0,0,0,1,0|3,0,0]=4 292 B7R1.1 C#CC1=CC=CS1 SBB008821 [0,0,0,0,1,0|2,0,1]=4 293 B7R1.1 C#CC1=CSC=C1 SBB066455 [0,0,0,0,1,0|2,0,1]=4 294 B7R1.1 C(=O)C1=CN=CN1 SBB004381 [0,0,0,0,1,0|2,0,1]=4 295 B7R1.1 C(=O)C1=CN=CN1 SBB004382 [0,0,0,0,1,0|2,0,1]=4 296 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [0,0,0,0,1,0|3,0,0]=4 297 B7R1.1 C=CN1C=CN=C1 SBB071043 [0,0,0,0,1,0|2,0,1]=4 298 B7R1.1 C=CN1C=NC=N1 SBB000031 [0,0,0,0,1,0|2,0,1]=4 299 B7R1.1 CCN1C=CC=N1 SBB020346 [0,0,0,0,1,0|2,0,0]=3 300 B7R1.1 CCN1C=CN=C1 SBB045396 [0,0,0,0,1,0|2,0,0]=3 301 B7R1.1 CSC1=CC=CS1 SBB085766 [0,0,0,0,1,0|1,0,0]=2 302 B7R1.1 CSC1=CSC=C1 SBB055747 [0,0,0,0,1,0|1,0,0]=2 303 B7R1.1 CSC1=NCCN1 SBB055871 [0,0,0,0,1,0|0,0,3]=4 304 B7R1.1 CSC1=NN=CN1 SBB059216 [0,0,0,0,1,0|1,0,1]=3 305 B7R1.1 ClCC1=CC=NO1 SBB013787 [0,0,0,0,1,0|3,0,0]=4 306 B7R1.1 ClCC1=CSC=N1 SBB054935 [0,0,0,0,1,0|3,0,0]=4 307 B7R1.1 ClCC1=NOC=C1 SBB013648 [0,0,0,0,1,0|3,0,0]=4 308 B7R1.1 ClCC1=NOC=N1 SBB005592 [0,0,0,0,1,0|3,0,0]=4 309 B7R1.1 N#CC1=CC=CN1 SBB067109 [0,0,0,0,1,0|2,0,1]=4 310 B7R1.1 N#CC1=CC=CO1 SBB055776 [0,0,0,0,1,0|3,0,0]=4 311 B7R1.1 N#CC1=CC=CS1 SBB055745 [0,0,0,0,1,0|3,0,0]=4 312 B7R1.1 N#CC1=CNC=N1 SBB055864 [0,0,0,0,1,0|2,0,1]=4 313 B7R1.1 N#CC1=CNN=C1 SBB055839 [0,0,0,0,1,0|3,0,0]=4 314 B7R1.1 N#CC1=CSC=C1 SBB047994 [0,0,0,0,1,0|3,0,0]=4 315 B7R1.1 N#CC1=CSC=N1 SBB059707 [0,0,0,0,1,0|3,0,0]=4 316 B7R1.1 N#CC1=NNC=C1 SBB055854 [0,0,0,0,1,0|3,0,0]=4 317 B7R1.1 N1CCN=C1SC SBB037853 [0,0,0,0,1,0|0,0,3]=4 318 B7R1.1 NCC1=CC=CO1 SBB004376 [0,0,0,0,1,0|3,0,0]=4 319 B7R1.1 NCC1=CC=CS1 SBB004315 [0,0,0,0,1,0|3,0,0]=4 320 B7R1.1 NCC1=CN=CS1 SBB047473 [0,0,0,0,1,0|3,0,0]=4 321 B7R1.1 NCC1=CNN=C1 SBB026489 [0,0,0,0,1,0|3,0,0]=4 322 B7R1.1 NCC1=CSC=C1 SBB079179 [0,0,0,0,1,0|3,0,0]=4 323 B7R1.1 NCC1=CSC=N1 SBB047472 [0,0,0,0,1,0|3,0,0]=4 324 B7R1.1 NCC1=NC=CN1 SBB013485 [0,0,0,0,1,0|2,0,1]=4 325 B7R1.1 NCC1=NC=CN1 SBB052487 [0,0,0,0,1,0|2,0,1]=4 326 B7R1.1 NCC1=NC=CS1 SBB052479 [0,0,0,0,1,0|3,0,0]=4 327 B7R1.1 NCC1=NNC=C1 SBB020888 [0,0,0,0,1,0|3,0,0]=4 328 B7R1.1 NCC1=NOC=N1 SBB052491 [0,0,0,0,1,0|3,0,0]=4 329 B7R1.1 O=CC1=CC=CN1 SBB004389 [0,0,0,0,1,0|2,0,1]=4 330 B7R1.1 O=CC1=CC=CN1 SBB004390 [0,0,0,0,1,0|2,0,1]=4 331 B7R1.1 O=CC1=CC=CO1 SBB004386 [0,0,0,0,1,0|3,0,0]=4 332 B7R1.1 O=CC1=CC=CS1 SBB004321 [0,0,0,0,1,0|3,0,0]=4 333 B7R1.1 O=CC1=CN=CS1 SBB052293 [0,0,0,0,1,0|3,0,0]=4 334 B7R1.1 O=CC1=CNC=C1 SBB052279 [0,0,0,0,1,0|2,0,1]=4 335 B7R1.1 O=CC1=CNN=C1 SBB021198 [0,0,0,0,1,0|3,0,0]=4 336 B7R1.1 O=CC1=COC=C1 SBB004385 [0,0,0,0,1,0|3,0,0]=4 337 B7R1.1 O=CC1=COC=N1 SBB052299 [0,0,0,0,1,0|3,0,0]=4 338 B7R1.1 O=CC1=CSC=N1 SBB047478 [0,0,0,0,1,0|3,0,0]=4 339 B7R1.1 O=CC1=NC=CN1 SBB004383 [0,0,0,0,1,0|2,0,1]=4 340 B7R1.1 O=CC1=NC=CN1 SBB004384 [0,0,0,0,1,0|2,0,1]=4 341 B7R1.1 O=CC1=NC=CO1 SBB052295 [0,0,0,0,1,0|3,0,0]=4 342 B7R1.1 O=CC1=NC=CS1 SBB052286 [0,0,0,0,1,0|3,0,0]=4 343 B7R1.1 O=CC1=NNC=C1 SBB052310 [0,0,0,0,1,0|3,0,0]=4 344 B7R1.1 OCC1=CC=CO1 SBB004373 [0,0,0,0,1,0|3,0,0]=4 345 B7R1.1 OCC1=CC=CS1 SBB058563 [0,0,0,0,1,0|3,0,0]=4 346 B7R1.1 OCC1=CC=NN1 SBB014141 [0,0,0,0,1,0|3,0,0]=4 347 B7R1.1 OCC1=CN=CS1 SBB066375 [0,0,0,0,1,0|3,0,0]=4 348 B7R1.1 OCC1=CNC=N1 SBB004207 [0,0,0,0,1,0|2,0,1]=4 349 B7R1.1 OCC1=CNC=N1 SBB054821 [0,0,0,0,1,0|2,0,1]=4 350 B7R1.1 OCC1=CNN=C1 SBB073660 [0,0,0,0,1,0|3,0,0]=4 351 B7R1.1 OCC1=CSC=C1 SBB004309 [0,0,0,0,1,0|3,0,0]=4 352 B7R1.1 OCC1=CSC=N1 SBB066562 [0,0,0,0,1,0|3,0,0]=4 353 B7R1.1 OCC1=NC=CN1 SBB054820 [0,0,0,0,1,0|2,0,1]=4 354 B7R1.1 OCC1=NC=CS1 SBB054805 [0,0,0,0,1,0|3,0,0]=4 355 B7R1.1 SCC1=CC=CO1 SBB004308 [0,0,0,0,1,0|3,0,0]=4 356 B6R1.1 C1=CC=NC=C1 SBB055734 [2,0,0,0,0,0|1,0,0]=3 357 B6R1.1 C1=CN=NC=C1 SBB059541 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.3 BrC1=CC=C(I)C=N1 SBB013974 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.3 BrC1=CN=C(Br)C=C1 SBB054335 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.3 BrC1=CN=C(Br)C=N1 SBB054474 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.3 BrC1=CN=C(I)C=C1 SBB054355 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.3 BrC1=CN=C(I)C=N1 SBB054462 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.3 CC1=CC=C(Br)C=C1 SBB040884 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.3 CC1=CC=C(Br)C=N1 SBB088566 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.3 CC1=CC=C(C)N=C1 SBB060370 [1,1,0,0,0,0|1,0,0]=3 366 B8R1.3 CC1=CC=C(Cl)C=C1 SBB040887 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.3 CC1=CC=C(N)C=C1 SBB040498 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.3 CC1=CC=C(N)C=C1 SBB073002 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.3 CC1=CC=C(N)C=N1 SBB051894 [1,1,0,0,0,0|1,0,0]=3 370 B8R1.3 CC1=CC=C(N)N=N1 SBB051974 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.3 CC1=CC=C(O)N=N1 SBB051111 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.3 CC1=CN=C(Br)C=C1 SBB054301 [1,1,0,0,0,0|1,0,0]=3 374 B8R1.3 CC1=CN=C(Br)C=N1 SBB054471 [1,1,0,0,0,0|0,0,0]=2 375 B8R1.3 CC1=CN=C(C)C=N1 SBB058647 [1,1,0,0,0,0|0,0,0]=2 376 B8R1.3 CC1=CN=C(Cl)C=C1 SBB085698 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.3 CC1=CN=C(N)C=C1 SBB004353 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.3 CC1=CN=C(N)C=N1 SBB069755 [1,1,0,0,0,0|0,0,0]=2 379 B8R1.3 CC1=CN=C(O)C=C1 SBB055600 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.3 CC1=CN=C(O)N=C1 SBB026947 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.3 CC1=CN=C(S)C=C1 SBB068990 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.3 CC1=CN=C(S)N=C1 SBB021424 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.3 CC1=CNC(=O)C=C1 SBB040121 [1,1,0,0,0,0|1,0,1]=4 384 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.3 CC1=NN=C(Cl)C=C1 SBB039123 [1,1,0,0,0,0|2,0,0]=4 386 B8R1.3 ClC1=CC=C(Br)C=N1 SBB013973 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.3 ClC1=CC=C(I)C=N1 SBB013975 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.3 ClC1=CN=C(Br)C=C1 SBB054397 [1,1,0,0,0,0|2,0,0]=4 389 B8R1.3 ClC1=CN=C(Cl)C=C1 SBB054354 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.3 ClC1=CN=C(I)C=C1 SBB054334 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.3 ClC1=NC=C(Br)N=C1 SBB091627 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.3 FC1=CC=C(Br)N=C1 SBB089107 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.3 FC1=CC=C(I)C=N1 SBB013899 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.3 FC1=CN=C(Cl)C=C1 SBB085793 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.3 FC1=NC=C(Br)C=C1 SBB089108 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.3 FC1=NC=C(Cl)C=C1 SBB085795 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.3 NC1=CC=C(Br)N=C1 SBB005540 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.3 NC1=CC=C(Cl)N=C1 SBB004234 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.3 NC1=CC=C(F)N=C1 SBB051873 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.3 NC1=CC=C(I)C=N1 SBB028436 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.3 NC1=CC=C(O)N=C1 SBB028187 [1,1,0,0,0,0|1,1,0]=4 402 B8R1.3 NC1=CC=C(S)C=C1 SBB059850 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.3 NC1=CN=C(Br)C=N1 SBB028377 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.3 NC1=CN=C(I)C=C1 SBB070540 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.3 NC1=CN=C(N)C=C1 SBB004342 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.3 NC1=NC=C(Br)C=C1 SBB003823 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.3 NC1=NC=C(Cl)C=C1 SBB000059 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.3 NC1=NC=C(F)C=C1 SBB013948 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.3 OC1=CN=C(Cl)C=C1 SBB054276 [1,1,0,0,0,0|1,1,0]=4 410 B8R1.3 OC1=NC=C(Br)C=C1 SBB054347 [1,1,0,0,0,0|1,1,0]=4 411 B8R1.3 OC1=NC=C(Br)N=C1 SBB062713 [1,1,0,0,0,0|0,1,0]=3 412 B8R1.3 OC1=NC=C(Cl)C=C1 SBB054352 [1,1,0,0,0,0|1,1,0]=4 413 B8R1.3 OC1=NC=C(I)C=C1 SBB054372 [1,1,0,0,0,0|1,1,0]=4 414 B8R1.3 SC1=CC=C(Br)C=C1 SBB055148 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.4 BrC1=CC(I)=CC=N1 SBB013971 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.4 BrC1=CC=CC(Br)=N1 SBB059469 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.4 BrC1=CC=NC(Br)=C1 SBB013976 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.4 BrC1=CN=CC(Br)=C1 SBB003237 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.4 BrC1=CN=CC(Br)=C1 SBB003238 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.4 BrC1=NC(I)=CC=C1 SBB054359 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.4 CC1=CC(=O)NN=C1 SBB055936 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.4 CC1=CC(Br)=NC=C1 SBB054348 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.4 CC1=CC(C)=NC=N1 SBB059547 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.4 CC1=CC(Cl)=NC=C1 SBB054263 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.4 CC1=CC(F)=NC=C1 SBB054405 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.4 CC1=CC(N)=CC=C1 SBB040444 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.4 CC1=CC(N)=NC=C1 SBB004354 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.4 CC1=CC(O)=CC=C1 SBB060101 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.4 CC1=CC(O)=NC=N1 SBB081936 [1,1,0,0,0,0|2,0,0]=4 430 B8R1.4 CC1=CC=CC(=O)N1 SBB004345 [1,1,0,0,0,0|1,0,1]=4 431 B8R1.4 CC1=CC=CC(Br)=C1 SBB060207 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.4 CC1=CC=CC(Br)=N1 SBB054376 [1,1,0,0,0,0|1,0,0]=3 433 B8R1.4 CC1=CC=CC(C)=N1 SBB060371 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.4 CC1=CC=CC(Cl)=N1 SBB048080 [1,1,0,0,0,0|1,0,0]=3 435 B8R1.4 CC1=CC=CC(F)=C1 SBB061650 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.4 CC1=CC=CC(I)=N1 SBB054318 [1,1,0,0,0,0|1,0,0]=3 437 B8R1.4 CC1=CC=CC(N)=N1 SBB004355 [1,1,0,0,0,0|1,0,0]=3 438 B8R1.4 CC1=CC=NC(C)=C1 SBB060369 [1,1,0,0,0,0|1,0,0]=3 439 B8R1.4 CC1=CC=NC(N)=N1 SBB004343 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.4 CC1=CN=CC(Br)=C1 SBB054290 [1,1,0,0,0,0|1,0,0]=3 441 B8R1.4 CC1=CN=CC(Br)=N1 SBB054472 [1,1,0,0,0,0|0,0,0]=2 442 B8R1.4 CC1=CN=CC(C)=C1 SBB060372 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.4 CC1=CN=CC(Cl)=N1 SBB054461 [1,1,0,0,0,0|0,0,0]=2 444 B8R1.4 CC1=CN=CC(N)=C1 SBB051822 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.4 CC1=CN=CC(N)=N1 SBB051946 [1,1,0,0,0,0|0,0,0]=2 446 B8R1.4 CC1=CN=CC(O)=C1 SBB055598 [1,1,0,0,0,0|1,0,0]=3 447 B8R1.4 CC1=CN=NC(Cl)=C1 SBB054545 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.4 CC1=NC(=S)NC=C1 SBB003934 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.4 CC1=NC(Cl)=NC=C1 SBB054509 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.4 CC1=NC(S)=NC=C1 SBB055918 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.4 CC1=NC=CC(Br)=C1 SBB088565 [1,1,0,0,0,0|1,0,0]=3 452 B8R1.4 CC1=NC=CC(Cl)=N1 SBB085538 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.4 CC1=NC=CC(N)=C1 SBB027134 [1,1,0,0,0,0|1,0,0]=3 454 B8R1.4 CC1=NC=NC(Cl)=C1 SBB039515 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.4 ClC1=CC(Br)=NC=C1 SBB054398 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.4 ClC1=CC=CC(Cl)=N1 SBB040849 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.4 ClC1=CC=NC(Cl)=C1 SBB013978 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.4 ClC1=CN=CC(Cl)=N1 SBB054463 [1,1,0,0,0,0|1,0,0]=3 459 B8R1.4 ClC1=NC=CC(Br)=C1 SBB054396 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.4 ClC1=NC=CC(I)=C1 SBB054361 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.4 FC1=CC(Br)=CN=C1 SBB054265 [1,1,0,0,0,0|2,0,0]=4 462 B8R1.4 FC1=CC(Br)=NC=C1 SBB089109 [1,1,0,0,0,0|2,0,0]=4 463 B8R1.4 FC1=CC=CC(Br)=N1 SBB089103 [1,1,0,0,0,0|2,0,0]=4 464 B8R1.4 FC1=CC=NC(Cl)=C1 SBB013977 [1,1,0,0,0,0|2,0,0]=4 465 B8R1.4 FC1=CN=CC(Cl)=C1 SBB085794 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.4 FC1=CN=CC(F)=C1 SBB054377 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.4 FC1=NC=CC(Br)=C1 SBB089106 [1,1,0,0,0,0|2,0,0]=4 468 B8R1.4 FC1=NC=CC(Cl)=C1 SBB054331 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.4 FC1=NC=CC(I)=C1 SBB054283 [1,1,0,0,0,0|2,0,0]=4 470 B8R1.4 NC1=CC(Br)=CN=C1 SBB044004 [1,1,0,0,0,0|2,0,0]=4 471 B8R1.4 NC1=CC(Br)=NC=C1 SBB028374 [1,1,0,0,0,0|2,0,0]=4 472 B8R1.4 NC1=CC(Cl)=CN=C1 SBB069846 [1,1,0,0,0,0|2,0,0]=4 473 B8R1.4 NC1=CC(Cl)=NC=C1 SBB004235 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.4 NC1=CC(N)=NC=C1 SBB069750 [1,1,0,0,0,0|2,0,0]=4 475 B8R1.4 NC1=CC=CC(Br)=N1 SBB028373 [1,1,0,0,0,0|2,0,0]=4 476 B8R1.4 NC1=CC=CC(N)=N1 SBB004340 [1,1,0,0,0,0|2,0,0]=4 477 B8R1.4 NC1=NC(Cl)=CC=C1 SBB028231 [1,1,0,0,0,0|2,0,0]=4 478 B8R1.4 NC1=NC(Cl)=CN=C1 SBB005488 [1,1,0,0,0,0|1,0,0]=3 479 B8R1.4 NC1=NC(F)=CC=C1 SBB069764 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.4 NC1=NC=CC(Br)=C1 SBB016050 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.4 NC1=NC=CC(Cl)=C1 SBB051892 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.4 NC1=NC=CC(F)=C1 SBB051908 [1,1,0,0,0,0|2,0,0]=4 483 B8R1.4 OC1=CC(Cl)=CN=C1 SBB054268 [1,1,0,0,0,0|1,1,0]=4 484 B8R1.4 OC1=CC=NC(Cl)=C1 SBB085746 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.4 OC1=CC=NC(O)=C1 SBB004331 [1,1,0,0,0,0|1,1,0]=4 486 B8R1.4 OC1=CN=CC(Br)=C1 SBB081337 [1,1,0,0,0,0|1,1,0]=4 487 B8R1.4 OC1=CN=CC(F)=C1 SBB062707 [1,1,0,0,0,0|1,1,0]=4 488 B8R1.4 OC1=NC(C)=CC=N1 SBB004337 [1,1,0,0,0,0|2,0,0]=4 489 B8R1.4 OC1=NC(S)=NC=C1 SBB007592 [1,1,0,0,0,0|2,0,0]=4 490 B8R1.4 OC1=NC(S)=NN=C1 SBB059748 [1,1,0,0,0,0|1,0,0]=3 491 B8R1.4 OC1=NC=CC(Br)=C1 SBB054250 [1,1,0,0,0,0|1,1,0]=4 492 B8R1.4 SC1=CC=CC(Br)=C1 SBB066529 [1,1,0,0,0,0|2,0,0]=4 493 B8R1.4 SC1=NC=CC(N)=N1 SBB005532 [1,1,0,0,0,0|2,0,0]=4 494 B8R1.5 BrC1=CC=CN=C1Br SBB003239 [1,1,0,0,0,0|2,0,0]=4 495 B8R1.5 BrC1=CC=CN=C1I SBB054393 [1,1,0,0,0,0|2,0,0]=4 496 B8R1.5 CC1=C(C)C=CC=C1 SBB040816 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.5 CC1=C(C)C=NC=C1 SBB040907 [1,1,0,0,0,0|1,0,0]=3 498 B8R1.5 CC1=C(C)N=CC=C1 SBB060735 [1,1,0,0,0,0|1,0,0]=3 499 B8R1.5 CC1=C(Cl)N=NC=C1 SBB054543 [1,1,0,0,0,0|2,0,0]=4 500 B8R1.5 CC1=C(N)C=CC=C1 SBB028141 [1,1,0,0,0,0|2,0,0]=4 501 B8R1.5 CC1=C(N)C=CN=C1 SBB027197 [1,1,0,0,0,0|1,0,0]=3 502 B8R1.5 CC1=C(N)C=NC=C1 SBB028185 [1,1,0,0,0,0|2,0,0]=4 503 B8R1.5 CC1=CC=CC=C1N SBB058642 [1,1,0,0,0,0|2,0,0]=4 504 B8R1.5 CC1=CC=CC=C1O SBB060100 [1,1,0,0,0,0|2,0,0]=4 505 B8R1.5 CC1=CC=CN=C1Br SBB054403 [1,1,0,0,0,0|1,0,0]=3 506 B8R1.5 CC1=CC=CN=C1I SBB054379 [1,1,0,0,0,0|1,0,0]=3 507 B8R1.5 CC1=CC=CN=C1N SBB004356 [1,1,0,0,0,0|1,0,0]=3 508 B8R1.5 CC1=CC=CNC1=O SBB040120 [1,1,0,0,0,0|1,0,1]=4 509 B8R1.5 CC1=CC=NC=C1Br SBB054294 [1,1,0,0,0,0|2,0,0]=4 510 B8R1.5 CC1=CC=NC=C1O SBB055538 [1,1,0,0,0,0|1,1,0]=4 511 B8R1.5 CC1=NC=CC=C1Br SBB054275 [1,1,0,0,0,0|1,0,0]=3 512 B8R1.5 CC1=NC=CC=C1Cl SBB054401 [1,1,0,0,0,0|1,0,0]=3 513 B8R1.5 CC1=NC=CC=C1N SBB069748 [1,1,0,0,0,0|1,0,0]=3 514 B8R1.5 ClC1=C(Cl)N=CC=C1 SBB086564 [1,1,0,0,0,0|2,0,0]=4 515 B8R1.5 ClC1=C(I)C=CC=N1 SBB013979 [1,1,0,0,0,0|2,0,0]=4 516 B8R1.5 ClC1=CC=CN=C1Br SBB054378 [1,1,0,0,0,0|2,0,0]=4 517 B8R1.5 ClC1=CC=CN=C1I SBB051904 [1,1,0,0,0,0|2,0,0]=4 518 B8R1.5 ClC1=CC=NC=C1Br SBB054249 [1,1,0,0,0,0|2,0,0]=4 519 B8R1.5 ClC1=CC=NC=C1Cl SBB054368 [1,1,0,0,0,0|2,0,0]=4 520 B8R1.5 ClC1=CN=CC=C1Br SBB054284 [1,1,0,0,0,0|2,0,0]=4 521 B8R1.5 ClC1=CN=CC=C1I SBB054367 [1,1,0,0,0,0|2,0,0]=4 522 B8R1.5 ClC1=NC=CC=C1Br SBB003618 [1,1,0,0,0,0|2,0,0]=4 523 B8R1.5 ClC1=NC=CN=C1Cl SBB080632 [1,1,0,0,0,0|1,0,0]=3 524 B8R1.5 FC1=C(Cl)C=CN=C1 SBB088125 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.5 FC1=C(I)C=CN=C1 SBB096406 [1,1,0,0,0,0|2,0,0]=4 526 B8R1.5 FC1=CC=CN=C1Br SBB089105 [1,1,0,0,0,0|2,0,0]=4 527 B8R1.5 FC1=CC=CN=C1Cl SBB085791 [1,1,0,0,0,0|2,0,0]=4 528 B8R1.5 FC1=NC=CC=C1Br SBB054288 [1,1,0,0,0,0|2,0,0]=4 529 B8R1.5 FC1=NC=CC=C1Cl SBB085790 [1,1,0,0,0,0|2,0,0]=4 530 B8R1.5 FC1=NC=CC=C1I SBB096409 [1,1,0,0,0,0|2,0,0]=4 531 B8R1.5 NC1=C(Br)C=NC=C1 SBB005537 [1,1,0,0,0,0|2,0,0]=4 532 B8R1.5 NC1=C(Cl)C=CC=N1 SBB015835 [1,1,0,0,0,0|2,0,0]=4 533 B8R1.5 NC1=C(Cl)C=CN=C1 SBB028232 [1,1,0,0,0,0|2,0,0]=4 534 B8R1.5 NC1=C(Cl)N=CC=C1 SBB004233 [1,1,0,0,0,0|2,0,0]=4 535 B8R1.5 NC1=C(F)C=NC=C1 SBB069765 [1,1,0,0,0,0|2,0,0]=4 536 B8R1.5 NC1=C(I)C=CC=N1 SBB028437 [1,1,0,0,0,0|2,0,0]=4 537 B8R1.5 NC1=C(I)C=CN=C1 SBB070538 [1,1,0,0,0,0|2,0,0]=4 538 B8R1.5 NC1=C(N)C=NC=C1 SBB004341 [1,1,0,0,0,0|2,0,0]=4 539 B8R1.5 NC1=C(O)C=CC=N1 SBB028186 [1,1,0,0,0,0|1,1,0]=4 540 B8R1.5 NC1=C(S)C=CC=C1 SBB009960 [1,1,0,0,0,0|2,0,0]=4 541 B8R1.5 NC1=CC=CN=C1Br SBB005539 [1,1,0,0,0,0|2,0,0]=4 542 B8R1.5 NC1=CC=CN=C1N SBB004339 [1,1,0,0,0,0|2,0,0]=4 543 B8R1.5 NC1=CC=CN=C1O SBB051906 [1,1,0,0,0,0|1,1,0]=4 544 B8R1.5 NC1=CC=NC=C1Cl SBB051889 [1,1,0,0,0,0|2,0,0]=4 545 B8R1.5 NC1=CC=NC=C1I SBB028438 [1,1,0,0,0,0|2,0,0]=4 546 B8R1.5 NC1=CC=NC=C1O SBB051918 [1,1,0,0,0,0|1,1,0]=4 547 B8R1.5 NC1=CN=CC=C1O SBB051888 [1,1,0,0,0,0|2,0,0]=4 548 B8R1.5 NC1=NC=CC=C1Br SBB005538 [1,1,0,0,0,0|2,0,0]=4 549 B8R1.5 NC1=NC=CC=C1F SBB051797 [1,1,0,0,0,0|2,0,0]=4 550 B8R1.5 NC1=NC=CC=C1S SBB065453 [1,1,0,0,0,0|1,0,0]=3 551 B8R1.5 NC1=NC=CN=C1Cl SBB006510 [1,1,0,0,0,0|1,0,0]=3 552 B8R1.5 OC1=C(Br)C=NC=C1 SBB088832 [1,1,0,0,0,0|2,0,0]=4 553 B8R1.5 OC1=C(O)N=CC=C1 SBB004333 [1,1,0,0,0,0|1,1,0]=4 554 B8R1.5 OC1=CC=CN=C1Br SBB003805 [1,1,0,0,0,0|1,1,0]=4 555 B8R1.5 OC1=CC=CN=C1Cl SBB054358 [1,1,0,0,0,0|1,1,0]=4 556 B8R1.5 OC1=CC=CN=C1I SBB054374 [1,1,0,0,0,0|1,1,0]=4 557 B8R1.5 OC1=NC=CC=C1Cl SBB054336 [1,1,0,0,0,0|1,1,0]=4 558 B8R1.5 SC1=CC=CC=C1Br SBB063171 [1,1,0,0,0,0|2,0,0]=4 559 B8R1.5 [O-][N+]1=C(S)C=CC=C1 SBB065304 [1,1,0,0,0,0|1,0,1]=4 560 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [0,1,0,0,1,0|2,0,0]=4 561 B8R1.1 CCC1=NSC(N)=N1 SBB005485 [0,1,0,0,1,0|2,0,0]=4 562 B8R1.1 CCN1C=C(Br)C=N1 SBB046690 [0,1,0,0,1,0|2,0,0]=4 563 B8R1.1 CCN1C=C(Cl)C=N1 SBB046646 [0,1,0,0,1,0|2,0,0]=4 564 B8R1.1 CCN1C=C(I)C=N1 SBB051456 [0,1,0,0,1,0|2,0,0]=4 565 B8R1.1 CCN1C=C(N)C=N1 SBB009610 [0,1,0,0,1,0|2,0,0]=4 566 B8R1.1 CCN1C=C(O)C=N1 SBB032284 [0,1,0,0,1,0|2,0,0]=4 567 B8R1.1 CCN1C=CC(Br)=N1 SBB054434 [0,1,0,0,1,0|2,0,0]=4 568 B8R1.1 CCN1C=CC(C)=N1 SBB020339 [0,1,0,0,1,0|2,0,0]=4 569 B8R1.1 CCN1C=CC(I)=N1 SBB116216 [0,1,0,0,1,0|2,0,0]=4 570 B8R1.1 CCN1C=CC(N)=N1 SBB020916 [0,1,0,0,1,0|2,0,0]=4 571 B8R1.1 CCN1C=NC(N)=N1 SBB073346 [0,1,0,0,1,0|2,0,0]=4 572 B8R1.1 COC1=NC(Br)=NN1 SBB116034 [0,1,0,0,1,0|1,1,0]=4 573 B8R1.1 COC1=NSC(N)=N1 SBB005490 [0,1,0,0,1,0|1,1,0]=4 574 B8R1.1 CSC1=NC(N)=NS1 SBB005495 [0,1,0,0,1,0|1,0,0]=3 575 B8R1.1 CSC1=NC(O)=NS1 SBB059105 [0,1,0,0,1,0|1,0,0]=3 576 B8R1.1 CSC1=NN=C(N)N1 SBB005552 [0,1,0,0,1,0|1,0,1]=4 577 B8R1.1 CSC1=NN=C(S)S1 SBB087838 [0,1,0,0,1,0|2,0,0]=4 578 B8R1.1 CSC1=NSC(N)=N1 SBB005494 [0,1,0,0,1,0|1,0,0]=3 579 B8R1.1 N1C=C(C)N=C1CC SBB004334 [0,1,0,0,1,0|1,0,1]=4 580 B8R1.1 SC1=NC(SC)=NS1 SBB003912 [0,1,0,0,1,0|1,0,0]=3 581 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [0,1,0,0,1,0|1,0,1]=4 582 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [0,1,0,0,1,0|2,0,0]=4 583 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [0,1,0,0,1,0|2,0,0]=4 584 B8R1.7 CC(=O)C1=CC=NN1 SBB086523 [0,1,0,0,1,0|2,0,0]=4 585 B8R1.7 CC(=O)C1=CSC=C1 SBB048022 [0,1,0,0,1,0|2,0,0]=4 586 B8R1.7 CC(=O)C1=NC=CS1 SBB085685 [0,1,0,0,1,0|2,0,0]=4 587 B8R1.7 CC(=O)N1C=CN=C1 SBB008874 [0,1,0,0,1,0|2,0,0]=4 588 B8R1.7 CC(C)C1=NNC=C1 SBB026130 [0,1,0,0,1,0|2,0,0]=4 589 B8R1.7 CC(C)N1C=CC=N1 SBB025134 [0,1,0,0,1,0|2,0,0]=4 590 B8R1.7 CC(C)N1C=CN=C1 SBB046689 [0,1,0,0,1,0|2,0,0]=4 591 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [0,1,0,0,1,0|2,0,0]=4 592 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [0,1,0,0,1,0|2,0,0]=4 593 B8R1.7 CN(C)C1=CC=CS1 SBB059107 [0,1,0,0,1,0|2,0,0]=4 594 B8R1.8 BrCCN1C=CC=N1 SBB051197 [0,1,0,0,1,0|2,0,0]=4 595 B8R1.8 CCCC1=CC=CS1 SBB073407 [0,1,0,0,1,0|2,0,0]=4 596 B8R1.8 CCCC1=NC=CS1 SBB055797 [0,1,0,0,1,0|2,0,0]=4 597 B8R1.8 CCCN1C=CC=N1 SBB024228 [0,1,0,0,1,0|2,0,0]=4 598 B8R1.8 CCCN1C=CN=C1 SBB073424 [0,1,0,0,1,0|2,0,0]=4 599 B8R1.8 CNCC1=CC=CO1 SBB079004 [0,1,0,0,1,0|2,0,0]=4 600 B8R1.8 CNCC1=CC=NN1 SBB023948 [0,1,0,0,1,0|2,0,0]=4 601 B8R1.8 ClCCC1=CNN=C1 SBB073776 [0,1,0,0,1,0|2,0,0]=4 602 B8R1.8 ClCCN1C=CC=N1 SBB022467 [0,1,0,0,1,0|2,0,0]=4 603 B8R1.8 ClCCN1C=CN=C1 SBB005584 [0,1,0,0,1,0|2,0,0]=4 604 B8R1.8 NCCC1=CC=CO1 SBB013333 [0,1,0,0,1,0|2,0,0]=4 605 B8R1.8 NCCC1=CC=CS1 SBB013250 [0,1,0,0,1,0|2,0,0]=4 606 B8R1.8 NCCC1=CC=CS1 SBB013650 [0,1,0,0,1,0|2,0,0]=4 607 B8R1.8 NCCC1=CNC=N1 SBB003722 [0,1,0,0,1,0|1,0,1]=4 608 B8R1.8 NCCC1=CNC=N1 SBB012708 [0,1,0,0,1,0|1,0,1]=4 609 B8R1.8 NCCC1=CNN=C1 SBB018789 [0,1,0,0,1,0|2,0,0]=4 610 B8R1.8 NCCC1=CSC=C1 SBB109999 [0,1,0,0,1,0|2,0,0]=4 611 B8R1.8 NCCC1=NC=CS1 SBB046047 [0,1,0,0,1,0|2,0,0]=4 612 B8R1.8 NCCC1=NC=NN1 SBB074373 [0,1,0,0,1,0|2,0,0]=4 613 B8R1.8 NCCN1C=CC=N1 SBB007087 [0,1,0,0,1,0|2,0,0]=4 614 B8R1.8 NCCN1C=CN=C1 SBB026490 [0,1,0,0,1,0|2,0,0]=4 615 B8R1.8 NCCN1C=NC=N1 SBB042070 [0,1,0,0,1,0|2,0,0]=4 616 B8R1.8 OCCC1=CC=CS1 SBB062831 [0,1,0,0,1,0|2,0,0]=4 617 B8R1.8 OCCC1=CNN=C1 SBB020248 [0,1,0,0,1,0|2,0,0]=4 618 B8R1.8 OCCN1C=CC=N1 SBB022466 [0,1,0,0,1,0|2,0,0]=4 619 B8R1.8 OCCN1C=CN=C1 SBB059127 [0,1,0,0,1,0|2,0,0]=4 620 B8R1.11 CCC1=CC=NN1C SBB026460 [0,1,0,0,1,0|2,0,0]=4 621 B8R1.11 CCC1=CNN=C1N SBB069760 [0,1,0,0,1,0|2,0,0]=4 622 B8R1.11 CCN1N=CC=C1C SBB020345 [0,1,0,0,1,0|2,0,0]=4 623 B8R1.11 CCN1N=CC=C1F SBB116429 [0,1,0,0,1,0|2,0,0]=4 624 B8R1.11 CCN1N=CC=C1I SBB116428 [0,1,0,0,1,0|2,0,0]=4 625 B8R1.11 CCN1N=CC=C1N SBB005554 [0,1,0,0,1,0|2,0,0]=4 626 B8R1.11 COC1=NON=C1N SBB000044 [0,1,0,0,1,0|1,1,0]=4 627 B8R1.11 COC1=NON=C1O SBB014555 [0,1,0,0,1,0|1,1,0]=4 628 B8R1.11 CSC1=NN=CN1N SBB021733 [0,1,0,0,1,0|1,0,1]=4 629 B10R1.1 CCOC1=NC=C(Br)C=C1 SBB054264 [0,2,0,0,0,0|1,1,0]=4 630 B10R1.1 CCSC1=CC=C(N)C=C1 SBB071614 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.3 COC1=CC=C(C#N)C=N1 SBB055563 [0,2,0,0,0,0|1,1,0]=4 632 B10R1.3 COC1=CC=C(C=O)C=N1 SBB052248 [0,2,0,0,0,0|1,1,0]=4 633 B10R1.3 CSC1=CC=C(C#N)C=C1 SBB058371 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.3 CSC1=CC=C(C=O)C=C1 SBB040212 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.3 CSC1=CC=C(CN)C=C1 SBB017654 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.3 CSC1=CC=C(CO)C=C1 SBB064786 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.3 CSC1=NC=C(C=O)C=N1 SBB018978 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SBB055637 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SBB055610 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SBB055593 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SBB006622 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 SBB053217 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.13 O=C(O)C1=NC=C(O)N=C1 SBB047806 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.25 CCC1=C(N)N=C(C)C=C1 SBB028253 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.25 COC1=C(N)C=C(Br)C=N1 SBB093040 [0,2,0,0,0,0|1,1,0]=4 646 B10R1.25 COC1=CC=C(N)N=C1Br SBB005638 [0,2,0,0,0,0|1,1,0]=4 647 B10R1.25 COC1=NC=C(Br)C=C1C SBB054332 [0,2,0,0,0,0|1,1,0]=4 648 B10R1.25 CSC1=C(C)C=C(O)C=C1 SBB071462 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 SBB088828 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.25 O=CC1=NC=C(Cl)N=C1Cl SBB052319 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.176 COC1=CC(N)=C(N)C=N1 SBB062788 [0,2,0,0,0,0|1,1,0]=4 652 B10R1.176 COC1=CC=C(N)C(Br)=N1 SBB070409 [0,2,0,0,0,0|1,1,0]=4 653 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 SBB054482 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.8 CSC1=NC(N)=CC(=O)N1 SBB016060 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.8 CSC1=NC(N)=CC(N)=N1 SBB028321 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.8 CSC1=NC(O)=CC(=O)N1 SBB057052 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.8 CSC1=NC(O)=CC(N)=N1 SBB042542 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.8 CSC1=NC(O)=NC(C)=C1 SBB087169 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.8 NC1=CC(Cl)=NC(SC)=N1 SBB003786 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.10 CCSC1=NC(O)=CC=N1 SBB081944 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.10 CNCC1=NC(C)=CC=C1 SBB110044 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.30 CC1=CN=C(N)C(C#N)=N1 SBB055886 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.30 CCC1=C(O)C=CC(C)=N1 SBB080737 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.30 CCC1=NC(C)=CC=C1O SBB080762 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.30 COC1=CC(Br)=CN=C1N SBB070411 [0,2,0,0,0,0|1,1,0]=4 666 B10R1.30 COC1=NC(Br)=CN=C1N SBB070417 [0,2,0,0,0,0|0,1,0]=3 667 B10R1.113 CC(=O)C1=CC=CC(C)=N1 SBB068974 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 SBB054319 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 SBB065468 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 SBB055630 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 SBB066005 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.172 CNC1=NC(OC)=CC=C1 SBB051844 [0,2,0,0,0,0|1,1,0]=4 673 B10R1.172 COC1=CC=NC(OC)=C1 SBB086068 [0,2,0,0,0,0|1,1,0]=4 674 B10R1.172 COC1=CN=CC(C=O)=C1 SBB052243 [0,2,0,0,0,0|1,1,0]=4 675 B10R1.15 COC(=O)C1=CC=CC=N1 SBB008127 [0,2,0,0,0,0|1,1,0]=4 676 B10R1.15 COC(=O)C1=CN=CC=C1 SBB040924 [0,2,0,0,0,0|1,1,0]=4 677 B10R1.15 COC(=O)C1=NC=CN=C1 SBB053939 [0,2,0,0,0,0|0,1,0]=3 678 B10R1.15 C\C(=N/O)C1=CN=CC=C1 SBB085929 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.15 C\C(=N\O)C1=CC=CC=N1 SBB085936 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.15 NNC(=O)C1=CN=CC=N1 SBB005150 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.15 N\C(=N/O)C1=NC=CN=C1 SBB055895 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.15 O=C(CBr)C1=CN=CC=C1 SBB005582 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.15 O=C(CBr)C1=NC=CC=C1 SBB005581 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.28 CC(C)(C)C1=CC=CC=N1 SBB085909 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SBB005785 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.61 CC(=O)C1=CC=CN=C1F SBB065563 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.61 CC(=O)C1=CN=CC=C1C SBB055670 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.61 NC(=O)C1=C(O)N=CC=N1 SBB086051 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.61 O=C(O)C1=NC=CN=C1O SBB019213 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.61 OC(=O)C1=C(N)N=CC=N1 SBB004179 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.4 CCOC1=C(N)N=CC=C1 SBB014971 [0,2,0,0,0,0|1,1,0]=4 692 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.17 NCCSC1=NC=CC=C1 SBB050976 [0,2,0,0,0,0|1,0,0]=3 702 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.18 CC(N)CC1=CC=CC=N1 SBB025629 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.18 CC(N)CC1=CN=CC=N1 SBB025636 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.20 CCC1=C(CC)N=CC=N1 SBB058452 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.20 CNC1=C(C=O)C=CC=N1 SBB010268 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.20 CNC1=NC=CC=C1CO SBB054793 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.20 COC1=C(C#N)C=CC=N1 SBB019387 [0,2,0,0,0,0|1,1,0]=4 709 B10R1.20 COC1=C(SC)C=CC=C1 SBB058991 [0,2,0,0,0,0|2,0,0]=4 710 B10R2.7 C1=CC=C2SCNC2=C1 SBB017116 [0,1,0,1,0,0|2,0,0]=4 711 B10R2.7 C1=CN=C2SC=NC2=C1 SBB056308 [0,1,0,1,0,0|1,0,1]=4 712 B6R1.2 BrC1=CC=CO1 SBB054415 [1,0,0,0,1,0|2,0,0]=4 713 B6R1.2 BrC1=CC=CS1 SBB003931 [1,0,0,0,1,0|2,0,0]=4 714 B6R1.2 BrC1=CC=NN1 SBB062821 [1,0,0,0,1,0|2,0,0]=4 715 B6R1.2 BrC1=CC=NS1 SBB027176 [1,0,0,0,1,0|2,0,0]=4 716 B6R1.2 BrC1=CN=CS1 SBB054428 [1,0,0,0,1,0|2,0,0]=4 717 B6R1.2 BrC1=CNN=C1 SBB000097 [1,0,0,0,1,0|2,0,0]=4 718 B6R1.2 BrC1=COC=C1 SBB004098 [1,0,0,0,1,0|2,0,0]=4 719 B6R1.2 BrC1=CSC=C1 SBB003930 [1,0,0,0,1,0|2,0,0]=4 720 B6R1.2 BrC1=CSN=C1 SBB013032 [1,0,0,0,1,0|2,0,0]=4 721 B6R1.2 BrC1=NC=CN1 SBB054452 [1,0,0,0,1,0|1,0,1]=4 722 B6R1.2 BrC1=NC=CS1 SBB003918 [1,0,0,0,1,0|2,0,0]=4 723 B6R1.2 BrC1=NC=NN1 SBB050161 [1,0,0,0,1,0|2,0,0]=4 724 B6R1.2 CC1=CN=CS1 SBB055804 [1,0,0,0,1,0|1,0,0]=3 725 B6R1.2 CC1=CNN=C1 SBB004402 [1,0,0,0,1,0|1,0,0]=3 726 B6R1.2 CC1=CON=C1 SBB025727 [1,0,0,0,1,0|1,0,0]=3 727 B6R1.2 CC1=NC=CN1 SBB040944 [1,0,0,0,1,0|0,0,1]=3 728 B6R1.2 CC1=NN=CN1 SBB025943 [1,0,0,0,1,0|1,0,1]=4 729 B6R1.2 CC1=NN=NN1 SBB014296 [1,0,0,0,1,0|2,0,0]=4 730 B6R1.2 CC1=NNC=C1 SBB004404 [1,0,0,0,1,0|1,0,0]=3 731 B6R1.2 CN1C=CC=N1 SBB013729 [1,0,0,0,1,0|1,0,0]=3 732 B6R1.2 CN1C=CN=C1 SBB007574 [1,0,0,0,1,0|1,0,0]=3 733 B6R1.2 CN1C=NN=N1 SBB013782 [1,0,0,0,1,0|2,0,0]=4 734 B6R1.2 CN1N=CN=N1 SBB013781 [1,0,0,0,1,0|2,0,0]=4 735 B6R1.2 ClC1=CNN=C1 SBB000035 [1,0,0,0,1,0|2,0,0]=4 736 B6R1.2 ClC1=NC=CS1 SBB054425 [1,0,0,0,1,0|2,0,0]=4 737 B6R1.2 ClC1=NC=NN1 SBB019448 [1,0,0,0,1,0|2,0,0]=4 738 B6R1.2 FC1=CC=CS1 SBB073288 [1,0,0,0,1,0|2,0,0]=4 739 B6R1.2 IC1=CC=CS1 SBB054409 [1,0,0,0,1,0|2,0,0]=4 740 B6R1.2 IC1=CNC=N1 SBB054451 [1,0,0,0,1,0|1,0,1]=4 741 B6R1.2 IC1=CNN=C1 SBB025965 [1,0,0,0,1,0|2,0,0]=4 742 B6R1.2 IC1=CSN=C1 SBB074233 [1,0,0,0,1,0|2,0,0]=4 743 B6R1.2 IC1=NC=CN1 SBB054450 [1,0,0,0,1,0|1,0,1]=4 744 B6R1.2 N1C=CC(I)=N1 SBB091657 [1,0,0,0,1,0|2,0,0]=4 745 B6R1.2 NC1=CN=CN1 SBB017132 [1,0,0,0,1,0|1,0,1]=4 746 B6R1.2 NC1=CN=CS1 SBB069743 [1,0,0,0,1,0|2,0,0]=4 747 B6R1.2 NC1=CNN=C1 SBB018730 [1,0,0,0,1,0|2,0,0]=4 748 B6R1.2 NC1=NC=CN1 SBB001015 [1,0,0,0,1,0|1,0,1]=4 749 B6R1.2 NC1=NC=CN1 SBB051944 [1,0,0,0,1,0|1,0,1]=4 750 B6R1.2 NC1=NC=CN1 SBB051945 [1,0,0,0,1,0|1,0,1]=4 751 B6R1.2 NC1=NC=CO1 SBB019333 [1,0,0,0,1,0|2,0,0]=4 752 B6R1.2 NC1=NC=CS1 SBB000070 [1,0,0,0,1,0|2,0,0]=4 753 B6R1.2 NC1=NC=CS1 SBB028135 [1,0,0,0,1,0|2,0,0]=4 754 B6R1.2 NC1=NC=NS1 SBB014839 [1,0,0,0,1,0|2,0,0]=4 755 B6R1.2 NC1=NNC=C1 SBB004401 [1,0,0,0,1,0|2,0,0]=4 756 B6R1.2 NC1=NNC=N1 SBB004400 [1,0,0,0,1,0|2,0,0]=4 757 B6R1.2 NC1=NOC=C1 SBB051928 [1,0,0,0,1,0|2,0,0]=4 758 B6R1.2 SC1=CC=CS1 SBB059094 [1,0,0,0,1,0|1,0,0]=3 759 B6R1.2 SC1=NC=CN1 SBB004368 [1,0,0,0,1,0|0,0,1]=3 760 B6R1.2 SC1=NC=CS1 SBB066357 [1,0,0,0,1,0|1,0,0]=3 761 B6R1.2 SC1=NN=CS1 SBB041074 [1,0,0,0,1,0|2,0,0]=4 762 B6R1.2 SC1=NNC=N1 SBB004364 [1,0,0,0,1,0|1,0,0]=3