0 B7R1.1 BrCC1=CSC=C1 SBB070721 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 BrCC1=CSC=N1 SBB054932 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 C#CC1=CC=CS1 SBB008821 [0,0,0,0,0,0|1,0,1]=2 3 B7R1.1 C#CC1=CSC=C1 SBB066455 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 C(=O)C1=CN=CN1 SBB004381 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.1 C(=O)C1=CN=CN1 SBB004382 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.1 CCN1C=CC=N1 SBB020346 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CCN1C=CN=C1 SBB045396 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 CSC1=CC=CS1 SBB085766 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.1 CSC1=CSC=C1 SBB055747 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 ClCC1=CC=NO1 SBB013787 [0,0,0,0,0,0|2,1,0]=3 12 B7R1.1 ClCC1=CSC=N1 SBB054935 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 ClCC1=NOC=C1 SBB013648 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 ClCC1=NOC=N1 SBB005592 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 N#CC1=CC=CN1 SBB067109 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.1 N#CC1=CC=CO1 SBB055776 [0,0,0,0,0,0|1,1,1]=3 17 B7R1.1 N#CC1=CC=CS1 SBB055745 [0,0,0,0,0,0|1,0,1]=2 18 B7R1.1 N#CC1=CNC=N1 SBB055864 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 N#CC1=CSC=C1 SBB047994 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.1 N#CC1=CSC=N1 SBB059707 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 N#CC1=NNC=C1 SBB055854 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 NCC1=CC=CO1 SBB004376 [0,0,0,0,0,0|1,1,0]=2 23 B7R1.1 NCC1=CC=CS1 SBB004315 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.1 NCC1=CN=CS1 SBB047473 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.1 NCC1=CNN=C1 SBB026489 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.1 NCC1=CSC=C1 SBB079179 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.1 NCC1=CSC=N1 SBB047472 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 NCC1=NC=CN1 SBB013485 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.1 NCC1=NC=CN1 SBB052487 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 NCC1=NC=CS1 SBB052479 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.1 NCC1=NNC=C1 SBB020888 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 NCC1=NOC=N1 SBB052491 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 O=CC1=CC=CN1 SBB004389 [0,0,0,0,0,0|1,0,2]=3 34 B7R1.1 O=CC1=CC=CN1 SBB004390 [0,0,0,0,0,0|1,0,2]=3 35 B7R1.1 O=CC1=CC=CO1 SBB004386 [0,0,0,0,0,0|0,1,2]=3 36 B7R1.1 O=CC1=CC=CS1 SBB004321 [0,0,0,0,0,0|0,0,2]=2 37 B7R1.1 O=CC1=CN=CS1 SBB052293 [0,0,0,0,0,0|1,0,2]=3 38 B7R1.1 O=CC1=CNC=C1 SBB052279 [0,0,0,0,0,0|2,0,2]=4 39 B7R1.1 O=CC1=COC=C1 SBB004385 [0,0,0,0,0,0|2,0,2]=4 40 B7R1.1 O=CC1=COC=N1 SBB052299 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.1 O=CC1=CSC=N1 SBB047478 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.1 O=CC1=NC=CN1 SBB004383 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.1 O=CC1=NC=CN1 SBB004384 [0,0,0,0,0,0|2,0,2]=4 44 B7R1.1 O=CC1=NC=CO1 SBB052295 [0,0,0,0,0,0|1,1,2]=4 45 B7R1.1 O=CC1=NC=CS1 SBB052286 [0,0,0,0,0,0|1,0,2]=3 46 B7R1.1 O=CC1=NNC=C1 SBB052310 [0,0,0,0,0,0|2,0,2]=4 47 B7R1.1 OCC1=CC=CO1 SBB004373 [0,0,0,0,0,0|0,1,0]=1 48 B7R1.1 OCC1=CC=CS1 SBB058563 [0,0,0,0,0,0|0,0,0]=0 49 B7R1.1 OCC1=CC=NN1 SBB014141 [0,0,0,0,0,0|2,0,0]=2 50 B7R1.1 OCC1=CN=CS1 SBB066375 [0,0,0,0,0,0|1,0,0]=1 51 B7R1.1 OCC1=CN=NN1 SBB013581 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.1 OCC1=CNC=N1 SBB004207 [0,0,0,0,0,0|2,0,0]=2 53 B7R1.1 OCC1=CNC=N1 SBB054821 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.1 OCC1=CNN=C1 SBB073660 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.1 OCC1=CSC=C1 SBB004309 [0,0,0,0,0,0|2,0,0]=2 56 B7R1.1 OCC1=CSC=N1 SBB066562 [0,0,0,0,0,0|2,0,0]=2 57 B7R1.1 OCC1=NC=CN1 SBB054820 [0,0,0,0,0,0|2,0,0]=2 58 B7R1.1 OCC1=NC=CS1 SBB054805 [0,0,0,0,0,0|1,0,0]=1 59 B7R1.1 SCC1=CC=CO1 SBB004308 [0,0,0,0,0,0|0,2,0]=2 60 B6R1.2 BrC1=CC=CO1 SBB054415 [1,0,0,0,0,0|1,1,0]=3 61 B6R1.2 BrC1=CC=CS1 SBB003931 [1,0,0,0,0,0|1,0,0]=2 62 B6R1.2 BrC1=CC=NN1 SBB062821 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 BrC1=CC=NS1 SBB027176 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 BrC1=CN=CS1 SBB054428 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 BrC1=COC=C1 SBB004098 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 BrC1=CSC=C1 SBB003930 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 BrC1=NC=CN1 SBB054452 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 BrC1=NC=CS1 SBB003918 [1,0,0,0,0,0|2,0,0]=3 69 B6R1.2 BrC1=NN=CS1 SBB054616 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 CC1=CN=CS1 SBB055804 [1,0,0,0,0,0|1,0,0]=2 71 B6R1.2 CC1=CNN=C1 SBB004402 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 CC1=CON=C1 SBB025727 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 CC1=NC=CN1 SBB040944 [1,0,0,0,0,0|2,0,0]=3 74 B6R1.2 CC1=NN=CN1 SBB025943 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 CC1=NNC=C1 SBB004404 [1,0,0,0,0,0|2,0,0]=3 76 B6R1.2 CN1C=CC=N1 SBB013729 [1,0,0,0,0,0|2,0,0]=3 77 B6R1.2 CN1C=CN=C1 SBB007574 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 ClC1=NC=CS1 SBB054425 [1,0,0,0,0,0|2,0,0]=3 79 B6R1.2 FC1=CC=CS1 SBB073288 [1,0,0,0,0,0|1,0,0]=2 80 B6R1.2 IC1=CC=CS1 SBB054409 [1,0,0,0,0,0|1,0,0]=2 81 B6R1.2 IC1=CNC=N1 SBB054451 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 IC1=NC=CN1 SBB054450 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 N1C=CC(I)=N1 SBB091657 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 NC1=CN=CN1 SBB017132 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 NC1=CN=CS1 SBB069743 [1,0,0,0,0,0|2,0,0]=3 86 B6R1.2 NC1=NC=CN1 SBB001015 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 NC1=NC=CN1 SBB051944 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 NC1=NC=CN1 SBB051945 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 NC1=NC=CO1 SBB019333 [1,0,0,0,0,0|2,1,0]=4 90 B6R1.2 NC1=NC=CS1 SBB000070 [1,0,0,0,0,0|2,0,0]=3 91 B6R1.2 NC1=NC=CS1 SBB028135 [1,0,0,0,0,0|2,0,0]=3 92 B6R1.2 NC1=NC=NS1 SBB014839 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 NC1=NN=CS1 SBB010052 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 NC1=NNC=C1 SBB004401 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 NC1=NOC=C1 SBB051928 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 O=C1C=CCO1 SBB040281 [1,0,0,0,0,0|0,1,2]=4 97 B6R1.2 O=C1NC=CN1 SBB071638 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 SC1=CC=CS1 SBB059094 [1,0,0,0,0,0|0,1,0]=2 99 B6R1.2 SC1=NC=CN1 SBB004368 [1,0,0,0,0,0|2,1,0]=4 100 B6R1.2 SC1=NC=CS1 SBB066357 [1,0,0,0,0,0|1,1,0]=3 101 B6R1.2 SC1=NN=CS1 SBB041074 [1,0,0,0,0,0|2,1,0]=4 102 B8R1.1 C(=O)C1=CC=C(C)S1 SBB004249 [0,1,0,0,0,0|0,0,2]=3 103 B8R1.1 C(=O)C1=CC=C(Cl)O1 SBB004223 [0,1,0,0,0,0|0,1,2]=4 104 B8R1.1 C(=O)C1=CC=C(Cl)S1 SBB004100 [0,1,0,0,0,0|0,0,2]=3 105 B8R1.1 C(=O)C1=CC=C(F)S1 SBB027017 [0,1,0,0,0,0|0,0,2]=3 106 B8R1.1 CC1=CC(CBr)=NO1 SBB089113 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 CC1=CC(CCl)=NO1 SBB026481 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 CC1=CC(CN)=NO1 SBB018900 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 CC1=CC(CO)=CS1 SBB017457 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.1 CC1=CC(CO)=NO1 SBB025974 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 CC1=CC=C(C=O)O1 SBB040222 [0,1,0,0,0,0|0,1,2]=4 112 B8R1.1 CC1=CC=C(CN)O1 SBB047770 [0,1,0,0,0,0|1,1,0]=3 113 B8R1.1 CC1=CN(CCl)N=C1 SBB031559 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.1 CC1=CN(CO)N=C1 SBB023299 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.1 CC1=CN=C(C=O)S1 SBB052287 [0,1,0,0,0,0|1,0,2]=4 116 B8R1.1 CC1=CN=C(CO)S1 SBB054807 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.1 CC1=CSC(CO)=N1 SBB054809 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.1 CC1=NC(CCl)=CS1 SBB005574 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.1 CC1=NC(CCl)=CS1 SBB054934 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.1 CC1=NC(CN)=CS1 SBB052476 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 CC1=NC(CO)=NO1 SBB018815 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 CC1=NC=C(C=O)S1 SBB018895 [0,1,0,0,0,0|1,0,2]=4 123 B8R1.1 CC1=NNC(CN)=C1 SBB027644 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 CC1=NNC(CO)=C1 SBB080476 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.1 CC1=NOC(CN)=C1 SBB026727 [0,1,0,0,0,0|2,1,0]=4 126 B8R1.1 CC1=NOC(CO)=C1 SBB025975 [0,1,0,0,0,0|1,1,0]=3 127 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.1 CCC1=NN=C(N)S1 SBB028237 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.1 CCN1C=C(Br)C=N1 SBB046690 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.1 CCN1C=C(Cl)C=N1 SBB046646 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 CCN1C=C(I)C=N1 SBB051456 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.1 CCN1C=C(N)C=N1 SBB009610 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.1 CCN1C=C(O)C=N1 SBB032284 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.1 CCN1C=CC(Br)=N1 SBB054434 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.1 CCN1C=CC(C)=N1 SBB020339 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.1 CCN1C=CC(I)=N1 SBB116216 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.1 CCN1C=CC(N)=N1 SBB020916 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.1 CN1C=C(CO)C=N1 SBB022156 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.1 CN1C=CC(CCl)=N1 SBB054941 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.1 CN1C=CC(CN)=N1 SBB020585 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.1 CN1C=CC(CO)=N1 SBB073640 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.1 ClCC1=CC(Br)=NO1 SBB054936 [0,1,0,0,0,0|2,1,0]=4 143 B8R1.1 ClCC1=CN=C(Cl)S1 SBB070711 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.1 ClCN1C=C(Br)C=N1 SBB021115 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.1 ClCN1C=C(Cl)C=N1 SBB022607 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.1 N#CC1=CC(Br)=CS1 SBB018975 [0,1,0,0,0,0|1,0,1]=3 147 B8R1.1 N#CC1=CC=C(Br)O1 SBB000174 [0,1,0,0,0,0|1,1,1]=4 148 B8R1.1 N#CC1=CC=C(F)S1 SBB116496 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.1 N#CC1=CN=C(Cl)S1 SBB055802 [0,1,0,0,0,0|2,0,1]=4 150 B8R1.1 N1C=C(C)N=C1CC SBB004334 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.1 NC1=NC(CCl)=CS1 SBB027575 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.1 NC1=NC(CCl)=CS1 SBB090242 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.1 NC1=NC(CO)=CS1 SBB014800 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.1 NC1=NC(CO)=NN1 SBB012798 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.1 NC1=NC=C(C=O)S1 SBB049043 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.1 NC1=NC=C(CO)S1 SBB054810 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.1 NC1=NNC(CO)=C1 SBB073850 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.1 NCC1=CC=C(Br)O1 SBB014655 [0,1,0,0,0,0|1,1,0]=3 159 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 SBB054869 [0,1,0,0,0,0|1,0,2]=4 160 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [0,1,0,0,0,0|0,1,1]=3 161 B8R1.1 O=CC1=CC(Br)=CO1 SBB069420 [0,1,0,0,0,0|0,1,2]=4 162 B8R1.1 O=CC1=CC(Br)=CS1 SBB000293 [0,1,0,0,0,0|0,0,2]=3 163 B8R1.1 O=CC1=CC=C(Br)O1 SBB047477 [0,1,0,0,0,0|0,1,2]=4 164 B8R1.1 O=CC1=CC=C(Br)S1 SBB000294 [0,1,0,0,0,0|0,0,2]=3 165 B8R1.1 O=CC1=CC=C(I)O1 SBB039297 [0,1,0,0,0,0|0,1,2]=4 166 B8R1.1 O=CC1=CN=C(Cl)S1 SBB086559 [0,1,0,0,0,0|1,0,2]=4 167 B8R1.1 O=CC1=NC(Br)=CS1 SBB066537 [0,1,0,0,0,0|1,0,2]=4 168 B8R1.1 OCC1=CC(Br)=CS1 SBB091532 [0,1,0,0,0,0|0,0,0]=1 169 B8R1.1 OCC1=CC=C(Br)S1 SBB068487 [0,1,0,0,0,0|0,0,0]=1 170 B8R1.1 OCC1=CC=C(F)S1 SBB073359 [0,1,0,0,0,0|0,0,0]=1 171 B8R1.1 OCC1=CN=C(Cl)S1 SBB086668 [0,1,0,0,0,0|1,0,0]=2 172 B8R1.1 OCN1C=C(Br)C=N1 SBB024003 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.1 OCN1C=C(Cl)C=N1 SBB022509 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [0,1,0,0,0,0|1,0,2]=4 175 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [0,1,0,0,0,0|0,1,2]=4 176 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [0,1,0,0,0,0|0,0,2]=3 177 B8R1.7 CC(=O)C1=NC=CS1 SBB085685 [0,1,0,0,0,0|1,0,2]=4 178 B8R1.7 CC(C)C1=NNC=C1 SBB026130 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.7 CC(C)N1C=CC=N1 SBB025134 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [0,1,0,0,0,0|1,1,0]=3 181 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.7 CN(C)C1=CC=CS1 SBB059107 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.7 FC(F)C1=NNC=C1 SBB027078 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.7 FC(F)N1C=CC=N1 SBB000004 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.7 NC(=O)C1=CC=CO1 SBB028188 [0,1,0,0,0,0|0,1,2]=4 186 B8R1.7 NC(=O)C1=CC=CS1 SBB028227 [0,1,0,0,0,0|0,0,2]=3 187 B8R1.7 NC(=S)C1=CC=CO1 SBB055768 [0,1,0,0,0,0|0,2,1]=4 188 B8R1.7 NC(=S)C1=CC=CS1 SBB016501 [0,1,0,0,0,0|0,1,1]=3 189 B8R1.7 O=C(Cl)C1=CC=CO1 SBB004224 [0,1,0,0,0,0|0,1,2]=4 190 B8R1.7 O=C(Cl)C1=CC=CS1 SBB004099 [0,1,0,0,0,0|0,0,2]=3 191 B8R1.7 O=C(Cl)C1=NC=CS1 SBB053646 [0,1,0,0,0,0|1,0,2]=4 192 B8R1.7 O=C(O)C1=CC=CN1 SBB004332 [0,1,0,0,0,0|1,0,1]=3 193 B8R1.7 O=C(O)C1=CC=CO1 SBB004324 [0,1,0,0,0,0|0,1,1]=3 194 B8R1.7 O=C(O)C1=CC=CS1 SBB004241 [0,1,0,0,0,0|0,0,1]=2 195 B8R1.7 O=C(O)C1=CC=NO1 SBB004319 [0,1,0,0,0,0|1,1,1]=4 196 B8R1.7 O=C(O)C1=CC=NS1 SBB013118 [0,1,0,0,0,0|1,0,1]=3 197 B8R1.7 O=C(O)C1=CN=CN1 SBB004323 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.7 O=C(O)C1=CN=CO1 SBB053191 [0,1,0,0,0,0|1,1,1]=4 199 B8R1.7 O=C(O)C1=CN=CS1 SBB065748 [0,1,0,0,0,0|1,0,1]=3 200 B8R1.7 O=C(O)C1=COC=C1 SBB004325 [0,1,0,0,0,0|2,0,1]=4 201 B8R1.7 O=C(O)C1=COC=N1 SBB053171 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.7 O=C(O)C1=CSC=C1 SBB004240 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.7 O=C(O)C1=CSC=N1 SBB010166 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.7 O=C(O)C1=NC=CN1 SBB010014 [0,1,0,0,0,0|2,0,1]=4 205 B8R1.7 O=C(O)C1=NC=CS1 SBB053122 [0,1,0,0,0,0|1,0,1]=3 206 B8R1.7 O=C(O)C1=NNC=C1 SBB000005 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.7 O=C(O)C1=NOC=C1 SBB065956 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.7 O=[N+]([O-])C1=CC=CS1 SBB040890 [0,1,0,0,0,0|1,0,1]=3 209 B8R1.7 OB(O)C1=CC=CO1 SBB004326 [0,1,0,0,0,0|1,1,0]=3 210 B8R1.7 OB(O)C1=CC=CS1 SBB004243 [0,1,0,0,0,0|1,0,0]=2 211 B8R1.7 OB(O)C1=CC=NN1 SBB013805 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.7 OB(O)C1=COC=C1 SBB004327 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.7 OB(O)C1=CSC=C1 SBB004244 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.8 BrCCN1C=CC=N1 SBB051197 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.8 CCCC1=CC=CS1 SBB073407 [0,1,0,0,0,0|1,0,0]=2 216 B8R1.8 CCCC1=NC=CS1 SBB055797 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.8 CCCN1C=CC=N1 SBB024228 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.8 CNCC1=CC=CO1 SBB079004 [0,1,0,0,0,0|1,1,0]=3 219 B8R1.8 CNCC1=CC=NN1 SBB023948 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.8 ClCCN1C=CC=N1 SBB022467 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.8 N#CCC1=CC=CS1 SBB055746 [0,1,0,0,0,0|1,0,0]=2 222 B8R1.8 N#CCC1=CSC=C1 SBB058364 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.8 N#CCN1C=CC=N1 SBB022524 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.8 NCCC1=CC=CO1 SBB013333 [0,1,0,0,0,0|1,1,0]=3 225 B8R1.8 NCCC1=CC=CS1 SBB013250 [0,1,0,0,0,0|1,0,0]=2 226 B8R1.8 NCCC1=CC=CS1 SBB013650 [0,1,0,0,0,0|1,0,0]=2 227 B8R1.8 NCCC1=CNC=N1 SBB003722 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.8 NCCC1=CNC=N1 SBB012708 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.8 NCCC1=CSC=C1 SBB109999 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.8 NCCC1=NC=CS1 SBB046047 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.8 NCCN1C=CC=N1 SBB007087 [0,1,0,0,0,0|3,0,0]=4 232 B8R1.8 O=C=NC1=CC=CS1 SBB054891 [0,1,0,0,0,0|0,0,2]=3 233 B8R1.8 OCCC1=CC=CS1 SBB062831 [0,1,0,0,0,0|0,0,0]=1 234 B8R1.8 OCCC1=CNN=C1 SBB020248 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.8 OCCN1C=CC=N1 SBB022466 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.8 OCCN1C=CN=C1 SBB059127 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.8 O\N=C\C1=CSC=C1 SBB058317 [0,1,0,0,0,0|2,0,1]=4 238 B8R1.11 CC1=C(C#N)SC=C1 SBB055764 [0,1,0,0,0,0|1,0,1]=3 239 B8R1.11 CC1=C(C=O)SC=C1 SBB040199 [0,1,0,0,0,0|0,0,2]=3 240 B8R1.11 CC1=C(C=O)SC=N1 SBB052288 [0,1,0,0,0,0|1,0,2]=4 241 B8R1.11 CC1=C(CCl)NC=N1 SBB019096 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.11 CC1=C(CCl)SN=N1 SBB019316 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.11 CC1=C(CN)SC=C1 SBB028229 [0,1,0,0,0,0|1,0,0]=2 244 B8R1.11 CC1=C(CN)SN=N1 SBB026477 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.11 CC1=C(CO)C=CO1 SBB054803 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.11 CC1=C(CO)SN=N1 SBB019315 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.11 CCC1=CC=NN1C SBB026460 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.11 CCN1N=CC=C1C SBB020345 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.11 CCN1N=CC=C1F SBB116429 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.11 CCN1N=CC=C1I SBB116428 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.11 CCN1N=CC=C1N SBB005554 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.11 CN1C=CC=C1C=O SBB040239 [0,1,0,0,0,0|1,0,2]=4 253 B8R1.11 CN1C=CN=C1CCl SBB013849 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.11 CN1C=CN=C1CCl SBB088045 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.11 CN1C=CN=C1CN SBB014295 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.11 CN1C=CN=C1CO SBB054819 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.11 CN1N=CC=C1CCl SBB025039 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.11 CN1N=CC=C1CN SBB021230 [0,1,0,0,0,0|3,0,0]=4 259 B8R1.11 CN1N=CC=C1CO SBB024002 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.11 N#CC1=C(Br)C=CS1 SBB090686 [0,1,0,0,0,0|1,0,1]=3 261 B8R1.11 NCC1=NNC=C1I SBB073991 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.11 O=CC1=C(Br)C=CO1 SBB067497 [0,1,0,0,0,0|0,1,2]=4 263 B8R1.11 O=CC1=C(Br)C=CS1 SBB052262 [0,1,0,0,0,0|0,0,2]=3 264 B8R1.11 OCC1=C(C)N=CN1 SBB005865 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.11 OCC1=NNC=C1I SBB073992 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.6 C=CCOCCO SBB060194 [0,0,1,0,0,0|0,1,2]=4 267 B6R0.6 CCC\C=C\C=O SBB067097 [0,0,1,0,0,0|1,1,1]=4 268 B6R0.6 CC\C=C/CCO SBB007739 [0,0,1,0,0,0|1,0,2]=4 269 B8R1.2 BrCC1=CC=NC=C1 SBB054924 [0,0,0,0,0,1|2,0,0]=3 270 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [0,0,0,0,0,1|2,0,0]=3 271 B8R1.2 C#CC1=CC=CC=C1 SBB040919 [0,0,0,0,0,1|2,0,1]=4 272 B8R1.2 C#CC1=CC=CC=N1 SBB006619 [0,0,0,0,0,1|2,0,1]=4 273 B8R1.2 C#CC1=CC=CN=C1 SBB065464 [0,0,0,0,0,1|2,0,1]=4 274 B8R1.2 C#CC1=CC=NC=C1 SBB055516 [0,0,0,0,0,1|2,0,1]=4 275 B8R1.2 C#CC1=CC=NC=C1 SBB065466 [0,0,0,0,0,1|2,0,1]=4 276 B8R1.2 C=CC1=NC=CN=C1 SBB055880 [0,0,0,0,0,1|2,0,1]=4 277 B8R1.2 CCC1=CC=CC=C1 SBB040891 [0,0,0,0,0,1|2,0,0]=3 278 B8R1.2 CCC1=CC=CC=N1 SBB060373 [0,0,0,0,0,1|2,0,0]=3 279 B8R1.2 CCC1=CC=NC=C1 SBB061128 [0,0,0,0,0,1|2,0,0]=3 280 B8R1.2 CCC1=CN=CC=C1 SBB060374 [0,0,0,0,0,1|2,0,0]=3 281 B8R1.2 CNC1=CC=CC=C1 SBB008162 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.2 CNC1=CC=CC=C1 SBB059778 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.2 CNC1=NC=CN=C1 SBB018751 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.2 ClCC1=CC=NC=C1 SBB003917 [0,0,0,0,0,1|2,0,0]=3 285 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [0,0,0,0,0,1|2,0,0]=3 286 B8R1.2 N#CC1=CC=CC=C1 SBB028746 [0,0,0,0,0,1|2,0,1]=4 287 B8R1.2 N#CC1=CC=CN=C1 SBB007554 [0,0,0,0,0,1|2,0,1]=4 288 B8R1.2 N#CC1=CC=NC=C1 SBB008923 [0,0,0,0,0,1|2,0,1]=4 289 B8R1.2 N#CC1=NC=CC=C1 SBB008920 [0,0,0,0,0,1|2,0,1]=4 290 B8R1.2 N#CC1=NC=CC=N1 SBB048115 [0,0,0,0,0,1|2,0,1]=4 291 B8R1.2 N#CC1=NC=CN=C1 SBB055876 [0,0,0,0,0,1|2,0,1]=4 292 B8R1.2 NCC1=CC=CC=C1 SBB040473 [0,0,0,0,0,1|2,0,0]=3 293 B8R1.2 NCC1=CC=CN=C1 SBB004351 [0,0,0,0,0,1|2,0,0]=3 294 B8R1.2 NCC1=CC=NC=C1 SBB004350 [0,0,0,0,0,1|2,0,0]=3 295 B8R1.2 NCC1=NC=CC=C1 SBB004352 [0,0,0,0,0,1|2,0,0]=3 296 B8R1.2 NCC1=NC=CN=C1 SBB014584 [0,0,0,0,0,1|2,0,0]=3 297 B8R1.2 NCC1=NC=NC=C1 SBB086444 [0,0,0,0,0,1|2,0,0]=3 298 B8R1.2 NNC1=CC=CC=C1 SBB040886 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.2 NNC1=CC=CN=N1 SBB055934 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.2 NNC1=CC=NC=C1 SBB018987 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.2 NNC1=NC=CC=N1 SBB047725 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [0,0,0,0,0,1|1,0,2]=4 303 B8R1.2 O=CC1=CC=NC=C1 SBB004357 [0,0,0,0,0,1|1,0,2]=4 304 B8R1.2 O=CC1=NC=CC=C1 SBB004358 [0,0,0,0,0,1|1,0,2]=4 305 B8R1.2 O=CC1=NC=CC=N1 SBB052320 [0,0,0,0,0,1|1,0,2]=4 306 B8R1.2 O=CC1=NC=CN=C1 SBB052318 [0,0,0,0,0,1|1,0,2]=4 307 B8R1.2 OCC1=CC=CC=C1 SBB058558 [0,0,0,0,0,1|1,0,0]=2 308 B8R1.2 OCC1=CC=CN=C1 SBB004344 [0,0,0,0,0,1|1,0,0]=2 309 B8R1.2 OCC1=CC=CN=N1 SBB054829 [0,0,0,0,0,1|1,0,0]=2 310 B8R1.2 OCC1=CC=NC=C1 SBB004347 [0,0,0,0,0,1|1,0,0]=2 311 B8R1.2 OCC1=CN=CN=C1 SBB065691 [0,0,0,0,0,1|2,0,0]=3 312 B8R1.2 OCC1=NC=CC=C1 SBB004348 [0,0,0,0,0,1|1,0,0]=2 313 B8R1.2 OCC1=NC=CN=C1 SBB054824 [0,0,0,0,0,1|1,0,0]=2 314 B8R1.2 OCC1=NC=NC=C1 SBB054828 [0,0,0,0,0,1|1,0,0]=2 315 B8R1.2 OCC1CC=CCC1 SBB054865 [0,0,0,0,0,1|1,0,2]=4 316 B8R1.2 ONC1=CC=CC=C1 SBB008413 [0,0,0,0,0,1|2,0,0]=3 317 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [0,0,0,0,0,1|2,0,0]=3 318 B8R1.2 [NH3+]NC1=CC=CC=C1 SBB060000 [0,0,0,0,0,1|3,0,0]=4 319 B5R1.1 C1=CNC=N1 SBB040815 [2,0,0,0,0,0|2,0,0]=4 320 B5R1.1 C1=CNN=C1 SBB059844 [2,0,0,0,0,0|2,0,0]=4 321 B5R1.1 C1=COC=N1 SBB061419 [2,0,0,0,0,0|1,1,0]=4 322 B5R1.1 C1=CSN=C1 SBB012883 [2,0,0,0,0,0|1,0,0]=3 323 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,1,1,0,0,0|1,0,1]=4 324 B7R1.2 BrC1=CSC(Br)=C1 SBB099511 [1,1,0,0,0,0|1,0,0]=3 325 B7R1.2 BrC1=CSC(Br)=N1 SBB054426 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.2 CC1=CC(=O)NO1 SBB055813 [1,1,0,0,0,0|1,1,0]=4 327 B7R1.2 CC1=CC(C)=NN1 SBB004377 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.2 CC1=CC(C)=NO1 SBB042637 [1,1,0,0,0,0|1,1,0]=4 329 B7R1.2 CC1=CC(N)=NO1 SBB005553 [1,1,0,0,0,0|1,1,0]=4 330 B7R1.2 CC1=CC=C(C)N1 SBB059455 [1,1,0,0,0,0|1,0,0]=3 331 B7R1.2 CC1=CC=C(Cl)S1 SBB054408 [1,1,0,0,0,0|0,0,0]=2 332 B7R1.2 CC1=CN(C)C=N1 SBB073385 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.2 CC1=CN(C)N=C1 SBB073292 [1,1,0,0,0,0|2,0,0]=4 334 B7R1.2 CC1=CN=C(Br)S1 SBB054420 [1,1,0,0,0,0|1,0,0]=3 335 B7R1.2 CC1=CN=C(N)S1 SBB028194 [1,1,0,0,0,0|1,0,0]=3 336 B7R1.2 CC1=CNC(C)=C1 SBB059454 [1,1,0,0,0,0|1,0,0]=3 337 B7R1.2 CC1=COC(N)=N1 SBB051930 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.2 CC1=CSC(Br)=N1 SBB054421 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.2 CC1=CSC(S)=N1 SBB041075 [1,1,0,0,0,0|1,1,0]=4 340 B7R1.2 CC1=NN(C)C=C1 SBB015024 [1,1,0,0,0,0|2,0,0]=4 341 B7R1.2 CC1=NN=C(Br)S1 SBB041010 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.2 CC1=NN=C(Cl)S1 SBB111880 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.2 CC1=NN=C(I)S1 SBB116057 [1,1,0,0,0,0|2,0,0]=4 344 B7R1.2 CC1=NN=C(N)S1 SBB000045 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.2 CC1=NNC(=S)S1 SBB041073 [1,1,0,0,0,0|2,0,0]=4 346 B7R1.2 CC1=NNC(N)=C1 SBB004375 [1,1,0,0,0,0|2,0,0]=4 347 B7R1.2 CC1=NOC(N)=C1 SBB006539 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.2 CC1=NSC(N)=C1 SBB004066 [1,1,0,0,0,0|2,0,0]=4 349 B7R1.2 CN1C=C(Br)C=N1 SBB019150 [1,1,0,0,0,0|2,0,0]=4 350 B7R1.2 CN1C=C(Cl)C=N1 SBB047361 [1,1,0,0,0,0|2,0,0]=4 351 B7R1.2 CN1C=C(I)C=N1 SBB027265 [1,1,0,0,0,0|2,0,0]=4 352 B7R1.2 CN1C=C(N)C=N1 SBB009607 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.2 CN1C=CC(Br)=N1 SBB051488 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.2 CN1C=CC(I)=N1 SBB093951 [1,1,0,0,0,0|2,0,0]=4 355 B7R1.2 CN1C=CC(N)=N1 SBB019460 [1,1,0,0,0,0|2,0,0]=4 356 B7R1.2 ClC1=CSC(Cl)=N1 SBB086954 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.2 IC1=CC=C(I)S1 SBB058942 [1,1,0,0,0,0|1,0,0]=3 358 B7R1.2 N1C=C(C)N=C1C SBB004378 [1,1,0,0,0,0|2,0,0]=4 359 B7R1.2 N1C=C(C)N=C1S SBB059569 [1,1,0,0,0,0|2,0,0]=4 360 B7R1.2 NC1=CC=C(S)S1 SBB000065 [1,1,0,0,0,0|0,1,0]=3 361 B7R1.2 NC1=NC(C)=CS1 SBB004307 [1,1,0,0,0,0|2,0,0]=4 362 B7R1.2 NC1=NC=C(Br)S1 SBB000204 [1,1,0,0,0,0|2,0,0]=4 363 B7R1.2 NC1=NC=C(Br)S1 SBB051923 [1,1,0,0,0,0|2,0,0]=4 364 B7R1.2 NC1=NC=C(Cl)S1 SBB003849 [1,1,0,0,0,0|2,0,0]=4 365 B7R1.2 NC1=NNC(O)=C1 SBB005531 [1,1,0,0,0,0|2,0,0]=4 366 B7R1.2 O=C1C=C(O)CO1 SBB056227 [1,1,0,0,0,0|2,0,0]=4 367 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [1,1,0,0,0,0|0,1,1]=4 368 B7R1.2 SC1=NN=C(C)S1 SBB004217 [1,1,0,0,0,0|2,0,0]=4 369 B7R1.4 BrC1=C(Br)SC=C1 SBB059557 [1,1,0,0,0,0|1,0,0]=3 370 B7R1.4 CC1=C(Br)SC=C1 SBB089226 [1,1,0,0,0,0|1,0,0]=3 371 B7R1.4 CC1=CC=NN1C SBB020344 [1,1,0,0,0,0|2,0,0]=4 372 B7R1.4 CC1=NC=CN1C SBB040829 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.4 CC1=NNC=C1Br SBB003957 [1,1,0,0,0,0|2,0,0]=4 374 B7R1.4 CC1=NNC=C1Cl SBB022182 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.4 CC1=NNC=C1I SBB073954 [1,1,0,0,0,0|2,0,0]=4 376 B7R1.4 CC1=NNC=C1N SBB009508 [1,1,0,0,0,0|2,0,0]=4 377 B7R1.4 CN1N=CC=C1Br SBB116410 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.4 CN1N=CC=C1I SBB093950 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.4 CN1N=CC=C1N SBB023971 [1,1,0,0,0,0|2,0,0]=4 380 B7R1.4 ClC1=C(Br)C=CS1 SBB092197 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.4 IC1=C(I)SN=C1 SBB074234 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [0,1,0,0,0,1|1,0,0]=3 387 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [0,1,0,0,0,1|1,1,0]=4 388 B9R1.1 CC1=CN=C(CN)C=N1 SBB052489 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 CC1=NC=C(CO)C=N1 SBB054825 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.1 ClCC1=CN=C(Cl)C=C1 SBB003948 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [0,1,0,0,0,1|1,0,0]=3 401 B9R1.1 NC1=CC=C(CO)C=N1 SBB085554 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.1 NCC1=CC=C(Cl)N=C1 SBB049618 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.1 NCC1=CC=C(N)N=C1 SBB052464 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [0,1,0,0,0,1|1,0,0]=3 412 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [0,1,0,0,0,1|1,0,0]=3 413 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [0,1,0,0,0,1|1,0,0]=3 414 B9R1.1 OCC1=CC=C(F)N=C1 SBB065619 [0,1,0,0,0,1|1,0,0]=3 415 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [0,1,0,0,0,1|1,0,0]=3 416 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [0,1,0,0,0,1|1,0,0]=3 417 B9R1.1 OCC1=CN=C(Cl)C=C1 SBB054780 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.1 OCC1=NC=C(Br)C=C1 SBB065294 [0,1,0,0,0,1|1,0,0]=3 419 B9R1.1 OCC1=NC=C(Cl)C=C1 SBB086303 [0,1,0,0,0,1|1,0,0]=3 420 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [0,1,0,0,0,1|1,1,0]=4 421 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [0,1,0,0,0,1|1,0,0]=3 428 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [0,1,0,0,0,1|1,0,0]=3 429 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [0,1,0,0,0,1|1,1,0]=4 430 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.2 ClCC1=CC(Br)=CN=C1 SBB054923 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.2 ClCC1=CC(Cl)=CC=C1 SBB040671 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.2 FC1=CC(CBr)=CC=C1 SBB090883 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 FC1=CC=CC(CCl)=C1 SBB040605 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 NC1=CC=CC(CO)=C1 SBB037932 [0,1,0,0,0,1|1,0,0]=3 441 B9R1.2 NC1=NC=CC(CO)=C1 SBB046494 [0,1,0,0,0,1|1,0,0]=3 442 B9R1.2 NCC1=CC(Br)=CN=C1 SBB090527 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 NCC1=CC(Cl)=CC=C1 SBB004155 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.2 NCC1=CC(Cl)=NC=C1 SBB052439 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.2 NCC1=CC=CC(Br)=C1 SBB005796 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.2 NCC1=CC=CC(F)=C1 SBB028218 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.2 OCC1=CC(Br)=CN=C1 SBB065467 [0,1,0,0,0,1|1,0,0]=3 448 B9R1.2 OCC1=CC(Br)=NC=C1 SBB054782 [0,1,0,0,0,1|1,0,0]=3 449 B9R1.2 OCC1=CC(Cl)=CC=N1 SBB065656 [0,1,0,0,0,1|1,0,0]=3 450 B9R1.2 OCC1=CC(Cl)=NC=C1 SBB054800 [0,1,0,0,0,1|1,0,0]=3 451 B9R1.2 OCC1=CC(F)=CC=C1 SBB064188 [0,1,0,0,0,1|1,0,0]=3 452 B9R1.2 OCC1=CC(I)=CC=C1 SBB068728 [0,1,0,0,0,1|1,0,0]=3 453 B9R1.2 OCC1=CC(S)=CC=C1 SBB054760 [0,1,0,0,0,1|1,0,0]=3 454 B9R1.2 OCC1=CC=CC(Br)=C1 SBB063014 [0,1,0,0,0,1|1,0,0]=3 455 B9R1.2 OCC1=CC=CC(Cl)=C1 SBB064716 [0,1,0,0,0,1|1,0,0]=3 456 B9R1.2 OCC1=CC=CC(O)=C1 SBB068731 [0,1,0,0,0,1|1,0,0]=3 457 B9R1.2 OCC1=NC(Cl)=CC=C1 SBB054794 [0,1,0,0,0,1|1,0,0]=3 458 B9R1.2 [NH3+]CC1=CC(I)=CC=C1 SBB058984 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.6 CC(N)C1=CC=NC=C1 SBB007016 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [0,1,0,0,0,1|1,0,0]=3 467 B9R1.6 C[C@@H](O)C1=CC=NC=C1 SBB065458 [0,1,0,0,0,1|1,0,0]=3 468 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [0,1,0,0,0,1|1,0,1]=4 470 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [0,1,0,0,0,1|1,0,1]=4 471 B9R1.6 O=C(O)C1=CC=CN=N1 SBB053230 [0,1,0,0,0,1|1,0,1]=4 472 B9R1.6 O=C(O)C1=CC=NC=C1 SBB004278 [0,1,0,0,0,1|1,0,1]=4 473 B9R1.6 O=C(O)C1=CC=NC=N1 SBB018520 [0,1,0,0,0,1|1,0,1]=4 474 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [0,1,0,0,0,1|1,0,1]=4 475 B9R1.6 O=C(O)C1=NC=CC=N1 SBB005602 [0,1,0,0,0,1|1,0,1]=4 476 B9R1.6 O=C(O)C1=NC=CN=C1 SBB000051 [0,1,0,0,0,1|1,0,1]=4 477 B9R1.6 OB(O)C1=CC=NC=C1 SBB004280 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.6 OB(O)C1=CN=CC=C1 SBB025625 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.6 OB(O)C1=NC=CC=C1 SBB052574 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.8 CNCC1=NC=CN=C1 SBB014431 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.8 COCC1=CC=CC=C1 SBB063549 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.8 N#CCC1=CC=CN=C1 SBB027148 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.8 N#CCC1=CC=NC=C1 SBB066966 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.8 N#CCC1=NC=CC=C1 SBB049639 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [0,1,0,0,0,1|1,0,0]=3 503 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [0,1,0,0,0,1|1,0,0]=3 504 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [0,1,0,0,0,1|1,0,1]=4 505 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [0,1,0,0,0,1|1,0,0]=3 506 B9R1.8 O\N=C\C1=CC=CN=C1 SBB004285 [0,1,0,0,0,1|1,0,1]=4 507 B9R1.8 O\N=C\C1=NC=CC=C1 SBB004284 [0,1,0,0,0,1|1,0,1]=4 508 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [0,1,0,0,0,1|1,1,0]=4 509 B9R1.8 SCCC1=NC=CN=C1 SBB067078 [0,1,0,0,0,1|1,1,0]=4 510 B9R1.15 BrCC1=CC=CN=C1Br SBB070876 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.15 CC1=C(CBr)N=CC=C1 SBB021212 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.15 CC1=C(CCl)C=CC=C1 SBB040606 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.15 CC1=C(CN)C=CC=C1 SBB042694 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.15 CC1=CC=CC=C1CO SBB065157 [0,1,0,0,0,1|1,0,0]=3 515 B9R1.15 CC1=CC=CC=C1CS SBB086035 [0,1,0,0,0,1|1,1,0]=4 516 B9R1.15 CC1=CC=CN=C1CN SBB052454 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.15 CCC1=C(N)C=CC=C1 SBB040452 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.15 CCC1=CC=CC=C1C SBB061450 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.15 ClCC1=C(Cl)C=CC=C1 SBB040669 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.15 FC1=C(CBr)C=CC=C1 SBB058868 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.15 FC1=C(CCl)C=CC=C1 SBB040603 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.15 NC1=C(CO)C=CC=C1 SBB058759 [0,1,0,0,0,1|1,0,0]=3 523 B9R1.15 NC1=CC=NC=C1CO SBB054791 [0,1,0,0,0,1|1,0,0]=3 524 B9R1.15 NC1=CN=CC=C1CO SBB054795 [0,1,0,0,0,1|1,0,0]=3 525 B9R1.15 NC1=NC=CC=C1CO SBB054786 [0,1,0,0,0,1|1,0,0]=3 526 B9R1.15 NCC1=C(Cl)C=CC=C1 SBB004151 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.15 NCC1=C(F)C=CC=C1 SBB028214 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.15 NCC1=CC=CC=C1Br SBB052369 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.15 NCC1=CC=CC=C1Br SBB052411 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.15 OCC1=C(F)C=CC=C1 SBB064085 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.15 OCC1=C(O)C=CC=N1 SBB085588 [0,1,0,0,0,1|1,0,0]=3 532 B9R1.15 OCC1=CC=CC=C1Br SBB063922 [0,1,0,0,0,1|1,0,0]=3 533 B9R1.15 OCC1=CC=CC=C1Cl SBB058557 [0,1,0,0,0,1|1,0,0]=3 534 B9R1.15 OCC1=CC=CC=C1O SBB065036 [0,1,0,0,0,1|1,0,0]=3 535 B9R1.15 OCC1=CC=CN=C1Cl SBB054785 [0,1,0,0,0,1|1,0,0]=3 536 B9R1.15 SCC1=CC=CC=C1Br SBB066540 [0,1,0,0,0,1|1,1,0]=4 537 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.7 CC1=CC=C(\C=N\O)O1 SBB085593 [0,2,0,0,0,0|0,1,1]=4 539 B9R1.7 CC1=CC=C(\C=N\O)S1 SBB086199 [0,2,0,0,0,0|0,0,1]=3 540 B9R1.7 CC1=CN(CCO)N=C1 SBB033466 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.7 CC1=CN=C(CCN)S1 SBB027447 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.7 CC1=CSC(CC#N)=N1 SBB022616 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.7 CC1=CSC(CCN)=N1 SBB044025 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.7 CC1=NN(CCO)C=C1 SBB033467 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.7 CNCC1=CC=C(C)O1 SBB085300 [0,2,0,0,0,0|1,1,0]=4 546 B9R1.7 CNCC1=CC=C(C)S1 SBB052471 [0,2,0,0,0,0|1,0,0]=3 547 B9R1.7 COCC1=NN=C(N)S1 SBB007576 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.7 COCC1=NN=C(S)S1 SBB059514 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.7 COCN1C=C(N)C=N1 SBB022063 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.7 OCCN1C=C(Br)C=N1 SBB014946 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.7 OCCN1C=C(Cl)C=N1 SBB022876 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.7 O\N=C/C1=CC=C(Br)S1 SBB079259 [0,2,0,0,0,0|0,0,1]=3 553 B9R1.7 O\N=C\C1=CC=C(F)S1 SBB073315 [0,2,0,0,0,0|0,0,1]=3 554 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004259 [0,2,0,0,0,0|0,1,0]=3 555 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004260 [0,2,0,0,0,0|0,1,0]=3 556 B9R1.21 CCC1=CC=C(C=O)O1 SBB010056 [0,2,0,0,0,0|1,1,0]=4 557 B9R1.21 CCC1=CC=C(C=O)S1 SBB028644 [0,2,0,0,0,0|1,0,0]=3 558 B9R1.21 CCC1=NOC(CO)=C1 SBB050112 [0,2,0,0,0,0|1,1,0]=4 559 B9R1.21 CCN1C=CC(CO)=N1 SBB025856 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.21 CSC1=CC=C(C=O)S1 SBB087319 [0,2,0,0,0,0|0,0,2]=4 561 B9R1.21 O=CC1=CC(CCl)=CS1 SBB002904 [0,2,0,0,0,0|0,0,2]=4 562 B9R1.21 O=CC1=CC=C(C=O)S1 SBB000080 [0,2,0,0,0,0|0,0,2]=4 563 B9R1.22 CC1=CC(C)=NN1CO SBB004250 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.22 CC1=NC(C)=C(CO)S1 SBB054806 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.22 CC1=NC(CO)=C(C)O1 SBB085678 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.22 CC1=NN(C)C(CO)=C1 SBB024986 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.22 CN1C=C(Br)C(CO)=N1 SBB073833 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.22 CN1C=C(Cl)C(CO)=N1 SBB073832 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.22 CN1N=C(N)C=C1CO SBB073889 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.23 C(=O)C1=CC(Br)=C(Br)S1 SBB003040 [0,2,0,0,0,0|0,0,2]=4 571 B9R1.23 C(=O)C1=CC(C)=C(C)S1 SBB005570 [0,2,0,0,0,0|0,0,2]=4 572 B9R1.23 CC1=C(Br)C=C(C=O)S1 SBB019870 [0,2,0,0,0,0|0,0,2]=4 573 B9R1.23 CC1=CC(CO)=NN1C SBB054817 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.35 CC(=O)C1=CC(Br)=CS1 SBB022006 [0,2,0,0,0,0|0,0,2]=4 575 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,2,0,0,0,0|0,0,2]=4 576 B9R1.35 CC(=O)C1=CC=C(Br)S1 SBB058398 [0,2,0,0,0,0|0,0,2]=4 577 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,2,0,0,0,0|0,0,2]=4 578 B9R1.35 CC(=O)C1=CC=C(Cl)S1 SBB066389 [0,2,0,0,0,0|0,0,2]=4 579 B9R1.35 CC(=O)C1=CC=C(F)S1 SBB073293 [0,2,0,0,0,0|0,0,2]=4 580 B9R1.35 CC(=O)C1=CC=C(I)S1 SBB101059 [0,2,0,0,0,0|0,0,2]=4 581 B9R1.35 CC(O)C1=CC=C(F)S1 SBB073298 [0,2,0,0,0,0|0,0,0]=2 582 B9R1.35 CC1=CC=C(B(O)O)O1 SBB004261 [0,2,0,0,0,0|1,1,0]=4 583 B9R1.35 CC1=CC=C(B(O)O)S1 SBB004150 [0,2,0,0,0,0|1,0,0]=3 584 B9R1.35 CC1=CC=C(C(=O)Cl)S1 SBB087488 [0,2,0,0,0,0|0,0,2]=4 585 B9R1.35 CC1=CC=C(C(=O)O)O1 SBB005609 [0,2,0,0,0,0|0,1,1]=4 586 B9R1.35 CC1=CC=C(C(C)N)O1 SBB010239 [0,2,0,0,0,0|1,1,0]=4 587 B9R1.35 CC1=CN=C(C(=O)O)S1 SBB053120 [0,2,0,0,0,0|1,0,1]=4 588 B9R1.35 CC1=CSC(C(=O)O)=C1 SBB017915 [0,2,0,0,0,0|0,0,1]=3 589 B9R1.35 CC1=CSC(C(=O)O)=N1 SBB053102 [0,2,0,0,0,0|1,0,1]=4 590 B9R1.35 CC1=NC=C(C(=O)O)S1 SBB053124 [0,2,0,0,0,0|1,0,1]=4 591 B9R1.35 N=C(N)C1=CC=C(Br)S1 SBB079038 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.35 NC(=O)C1=CC=C(Br)S1 SBB050273 [0,2,0,0,0,0|0,0,2]=4 593 B9R1.35 NC(=O)C1=CC=C(Cl)S1 SBB087552 [0,2,0,0,0,0|0,0,2]=4 594 B9R1.35 NC(=O)C1=CC=C(F)S1 SBB116495 [0,2,0,0,0,0|0,0,2]=4 595 B9R1.35 NC1=NC=C(C(=O)O)S1 SBB066572 [0,2,0,0,0,0|1,0,1]=4 596 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 SBB067945 [0,2,0,0,0,0|0,0,2]=4 597 B9R1.35 O=C(Cl)C1=CC=C(F)S1 SBB116494 [0,2,0,0,0,0|0,0,2]=4 598 B9R1.35 O=C(O)C1=CC(Br)=CS1 SBB020811 [0,2,0,0,0,0|0,0,1]=3 599 B9R1.35 O=C(O)C1=CC=C(Br)O1 SBB003644 [0,2,0,0,0,0|0,1,1]=4 600 B9R1.35 O=C(O)C1=CC=C(Br)S1 SBB053058 [0,2,0,0,0,0|0,0,1]=3 601 B9R1.35 O=C(O)C1=CC=C(F)S1 SBB023956 [0,2,0,0,0,0|0,0,1]=3 602 B9R1.35 O=C(O)C1=CC=C(I)O1 SBB039298 [0,2,0,0,0,0|0,1,1]=4 603 B9R1.35 O=C(O)C1=CN=C(Br)S1 SBB053123 [0,2,0,0,0,0|1,0,1]=4 604 B9R1.35 O=C(O)C1=CN=C(Cl)S1 SBB053137 [0,2,0,0,0,0|1,0,1]=4 605 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 SBB057965 [0,2,0,0,0,0|1,0,1]=4 606 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 SBB073590 [0,2,0,0,0,0|1,0,1]=4 607 B9R1.35 OB(O)C1=CC=C(Cl)S1 SBB003942 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.35 OB(O)C1=CC=C(F)S1 SBB073344 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.35 OC(=O)C1=CC=C(C)S1 SBB004146 [0,2,0,0,0,0|0,0,1]=3 610 B9R1.35 OC(=O)C1=CC=C(Cl)S1 SBB003937 [0,2,0,0,0,0|0,0,1]=3 611 B9R1.132 CC1=C(C)C(CO)=CS1 SBB017430 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.132 CC1=CC=C(CN)N1C SBB012870 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.132 CN1C(CO)=CN=C1S SBB086358 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.11 CC(CO)N1C=CC=N1 SBB046541 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.11 CCC(=O)C1=CC=CS1 SBB028613 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.11 CCC(=O)C1=NC=CS1 SBB109622 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.11 CCC(N)C1=CC=CS1 SBB018551 [0,2,0,0,0,0|1,0,0]=3 618 B9R1.11 CNC(=O)C1=CC=CS1 SBB086206 [0,2,0,0,0,0|0,0,2]=4 619 B9R1.11 CNC(C)C1=CC=CO1 SBB302114 [0,2,0,0,0,0|1,1,0]=4 620 B9R1.11 COC(=O)C1=CC=CN1 SBB013762 [0,2,0,0,0,0|1,0,1]=4 621 B9R1.11 COC(=O)C1=CC=CO1 SBB059585 [0,2,0,0,0,0|0,1,1]=4 622 B9R1.11 COC(=O)C1=CC=CS1 SBB058305 [0,2,0,0,0,0|0,0,1]=3 623 B9R1.11 C\C(=N/O)C1=CC=CO1 SBB020245 [0,2,0,0,0,0|0,1,1]=4 624 B9R1.11 NNC(=O)C1=CC=CS1 SBB028266 [0,2,0,0,0,0|0,0,2]=4 625 B9R1.11 N\C(=N/O)C1=CC=CS1 SBB086242 [0,2,0,0,0,0|0,0,1]=3 626 B9R1.11 O=C(CBr)C1=CC=CO1 SBB010227 [0,2,0,0,0,0|1,1,0]=4 627 B9R1.11 O=C(CBr)C1=CC=CS1 SBB005904 [0,2,0,0,0,0|1,0,0]=3 628 B9R1.11 O=C(CCl)C1=CC=CS1 SBB051673 [0,2,0,0,0,0|1,0,0]=3 629 B9R1.11 O=CC(=O)C1=CC=CS1 SBB076918 [0,2,0,0,0,0|0,0,2]=4 630 B9R1.19 CC(C)(O)C1=CC=CS1 SBB073587 [0,2,0,0,0,0|0,0,0]=2 631 B9R1.19 CS(=O)(=O)C1=CC=CS1 SBB087640 [0,2,0,0,0,0|1,0,1]=4 632 B9R1.19 FC(F)(F)C1=CC=CS1 SBB055749 [0,2,0,0,0,0|1,0,0]=3 633 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 SBB003729 [0,2,0,0,0,0|1,0,1]=4 634 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 SBB003730 [0,2,0,0,0,0|1,0,1]=4 635 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 SBB056953 [0,2,0,0,0,0|1,0,1]=4 636 B9R1.41 CC(=O)C1=C(Br)C=CS1 SBB066536 [0,2,0,0,0,0|0,0,2]=4 637 B9R1.41 CC(=O)C1=C(C)C=CS1 SBB066531 [0,2,0,0,0,0|0,0,2]=4 638 B9R1.41 CC(=O)C1=C(Cl)C=CS1 SBB087489 [0,2,0,0,0,0|0,0,2]=4 639 B9R1.41 CC(=O)C1=C(N)C=CS1 SBB028265 [0,2,0,0,0,0|0,0,2]=4 640 B9R1.41 CC1=C(B(O)O)SC=C1 SBB019873 [0,2,0,0,0,0|1,0,0]=3 641 B9R1.41 CC1=C(C(=O)Cl)SC=C1 SBB067938 [0,2,0,0,0,0|0,0,2]=4 642 B9R1.41 CC1=C(C(=O)O)OC=C1 SBB004257 [0,2,0,0,0,0|0,1,1]=4 643 B9R1.41 CC1=C(C(=O)O)SC=C1 SBB086237 [0,2,0,0,0,0|0,0,1]=3 644 B9R1.41 CC1=C(C(=O)O)SC=N1 SBB010167 [0,2,0,0,0,0|1,0,1]=4 645 B9R1.41 CN1C=CC=C1C(=O)O SBB004270 [0,2,0,0,0,0|1,0,1]=4 646 B9R1.41 NC(=O)C1=C(Br)C=CS1 SBB028419 [0,2,0,0,0,0|0,0,2]=4 647 B9R1.41 NC(=O)C1=C(Cl)C=CS1 SBB087550 [0,2,0,0,0,0|0,0,2]=4 648 B9R1.41 NC(=O)C1=C(N)C=CS1 SBB028267 [0,2,0,0,0,0|0,0,2]=4 649 B9R1.41 O=C(O)C1=C(Br)C=CS1 SBB053051 [0,2,0,0,0,0|0,0,1]=3 650 B9R1.41 O=C(O)C1=C(Cl)C=CS1 SBB003936 [0,2,0,0,0,0|0,0,1]=3 651 B9R1.41 O=C(O)C1=C(O)C=CS1 SBB053061 [0,2,0,0,0,0|0,0,1]=3 652 B9R1.12 CCNCC1=CC=CO1 SBB047492 [0,2,0,0,0,0|1,1,0]=4 653 B9R1.12 CSSCC1=CC=CO1 SBB057326 [0,2,0,0,0,0|0,2,0]=4 654 B9R1.12 NCCCC1=CC=CO1 SBB047796 [0,2,0,0,0,0|1,1,0]=4 655 B9R1.12 OCCCN1C=CC=N1 SBB022862 [0,2,0,0,0,0|2,0,0]=4 656 B9R1.12 S=C=NCC1=CC=CO1 SBB017397 [0,2,0,0,0,0|0,2,0]=4 657 B9R1.13 CC(C)CC1=NC=CS1 SBB086212 [0,2,0,0,0,0|2,0,0]=4 658 B9R1.13 CC(N)CC1=CC=CO1 SBB010238 [0,2,0,0,0,0|1,1,0]=4 659 B9R1.13 CC(N)CC1=CC=CS1 SBB010287 [0,2,0,0,0,0|1,0,0]=3 660 B9R1.13 CC(O)CN1C=CC=N1 SBB022477 [0,2,0,0,0,0|2,0,0]=4 661 B9R1.13 CN(C)CC1=CC=CN1 SBB049515 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.13 O=C(Cl)CC1=CC=CS1 SBB006705 [0,2,0,0,0,0|0,0,1]=3 663 B9R1.13 O=C(O)CC1=CN=CN1 SBB003940 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.13 O=C(O)CC1=CSC=N1 SBB018908 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.13 O=C(O)CN1C=CC=N1 SBB010248 [0,2,0,0,0,0|2,0,0]=4 666 B9R1.13 OC(=O)CC1=CC=CS1 SBB004145 [0,2,0,0,0,0|0,0,0]=2 667 B9R1.13 OC(=O)CC1=CNC=N1 SBB005448 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.13 OC(=O)CC1=CSC=C1 SBB004147 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.33 CC1=C(CCN)SC=N1 SBB109128 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.33 CC1=C(CCO)SC=N1 SBB054811 [0,2,0,0,0,0|1,0,0]=3 671 B9R1.33 CC1=CC=NN1CCO SBB017907 [0,2,0,0,0,0|2,0,0]=4 672 B9R1.33 CN1C=CC=C1\C=N\O SBB085555 [0,2,0,0,0,0|1,0,1]=4 673 B9R1.33 CNCC1=C(C)C=CS1 SBB010286 [0,2,0,0,0,0|1,0,0]=3 674 B9R1.33 CNCC1=CC=CN1C SBB010236 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.14 CCN1C=CN=C1CO SBB027204 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.14 CCN1N=CC=C1CO SBB025126 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.14 COC1=C(C=O)SC=C1 SBB086238 [0,2,0,0,0,0|0,0,2]=4 678 B9R1.14 O=CC1=C(C=O)SC=C1 SBB004162 [0,2,0,0,0,0|0,0,2]=4 679 B9R1.27 CN1N=CC(Br)=C1CO SBB073829 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.27 CN1N=CC(Cl)=C1CO SBB073789 [0,2,0,0,0,0|2,0,0]=4 681 B7R1.3 SC1=CC=CC=N1 SBB058593 [0,0,1,1,0,0|2,0,0]=4 682 B7R1.24 C1=CC=CCC=C1 SBB061185 [0,0,1,1,0,0|2,0,0]=4 683 B9R2.3 C1=CC2=C(C=CS2)S1 SBB056383 [0,1,0,1,0,0|0,1,1]=4