0 B11R1.83 CCC1=CC=C(CC#N)C=C1 SBB065173 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.83 CCC1=CC=C(N=C=O)C=C1 SBB046954 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.83 CCC1=CC=C(N=C=S)C=C1 SBB030516 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.83 CCC1=CN=C(CCO)C=C1 SBB055692 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.83 CCCC1=CC=C(C#N)C=C1 SBB059145 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.83 CCCC1=CC=C(C=O)C=C1 SBB059136 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.83 CCCC1=CC=C(CN)C=C1 SBB059679 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.83 CCCC1=CC=C(OC)C=C1 SBB007737 [0,0,0,0,0,0|0,0,0]=0 8 B11R1.83 CCCC1=NC=C(C=O)C=N1 SBB301950 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.83 CCNC1=CC=C(CC)C=C1 SBB072094 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.83 CCOC1=CC=C(C#N)C=C1 SBB055390 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.83 CCOC1=CC=C(C=O)C=C1 SBB016657 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.83 CCOC1=CC=C(CBr)C=C1 SBB081616 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.83 CCOC1=CC=C(CN)C=C1 SBB017652 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.83 CCSC1=CC=C(C=O)C=C1 SBB079149 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.83 CNCC1=CC=C(OC)C=C1 SBB086791 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.83 COC1=CC=C(CC#N)C=C1 SBB055070 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.83 COC1=CC=C(CC=O)C=C1 SBB052209 [0,0,0,0,0,0|1,0,1]=2 18 B11R1.83 COC1=CC=C(CCN)C=C1 SBB058795 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.83 COC1=CC=C(CON)C=C1 SBB091016 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.83 COC1=CC=C(N=C=O)C=C1 SBB048851 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.83 COC1=CC=C(N=C=S)C=C1 SBB006547 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.83 COC1=CC=C(\C=N/O)C=C1 SBB086769 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.83 CSC1=CC=C(N=C=O)C=C1 SBB048889 [0,0,0,0,0,0|2,1,1]=4 24 B11R1.83 CSC1=CC=C(N=C=S)C=C1 SBB089832 [0,0,0,0,0,0|2,1,1]=4 25 B11R1.83 N#CC1=CC=C(CCO)C=C1 SBB086537 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.83 N#CCC1=CC=C(NN)C=C1 SBB055136 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.1 CC1=CC=C(CC#N)C=C1 SBB063995 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.1 CC1=CC=C(CON)C=C1 SBB021738 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.1 CC1=CC=C(N=C=O)C=C1 SBB061737 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.1 CC1=CC=C(N=C=S)C=C1 SBB008290 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.1 CC1=CC=C(NC=O)C=C1 SBB085897 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.1 CCCC1=CC=C(N)C=C1 SBB008337 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [1,0,0,0,0,0|0,0,0]=1 35 B10R1.1 CCCC1=CN=C(Cl)N=C1 SBB054517 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.1 CCCC1=CN=C(S)N=C1 SBB066482 [1,0,0,0,0,0|2,1,0]=4 37 B10R1.1 CCOC1=CC=C(Br)C=C1 SBB059353 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.1 CCOC1=CC=C(C)C=C1 SBB060988 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.1 CCOC1=CC=C(Cl)C=C1 SBB040853 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.1 CCOC1=CC=C(F)C=C1 SBB086157 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.1 CCOC1=CC=C(N)C=C1 SBB040442 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.1 CCOC1=CC=C(N)C=C1 SBB073014 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.1 CCOC1=CC=C(O)C=C1 SBB043810 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.1 CCOC1=NC=C(Br)C=C1 SBB054264 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.1 CCSC1=CC=C(N)C=C1 SBB071614 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.1 CNCC1=CC=C(Cl)C=C1 SBB010371 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.1 CNCC1=CC=C(F)C=C1 SBB005902 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.1 CNCC1=CC=C(O)C=C1 SBB046545 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.1 FC1=CC=C(CCCl)C=C1 SBB087329 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.1 FC1=CC=C(C[Zn]Cl)C=C1 SBB094275 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.1 N#CCC1=CC=C(Br)C=C1 SBB055164 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.1 N#CCC1=CC=C(Cl)C=C1 SBB004060 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.1 N#CCC1=CC=C(F)C=C1 SBB063691 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.1 N#CCC1=CC=C(N)C=C1 SBB004218 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.1 N#CCC1=CC=C(O)C=C1 SBB063205 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.1 NC1=CC=C(CCO)C=C1 SBB042772 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.1 NCCC1=CC=C(F)C=C1 SBB003787 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.1 NCCC1=CC=C(F)C=C1 SBB058811 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.1 NCCC1=CC=C(O)C=C1 SBB003808 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.1 O=CCC1=CC=C(Br)C=C1 SBB052205 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.1 O=CCC1=CC=C(F)C=C1 SBB052206 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.1 OCCC1=CC=C(Br)C=C1 SBB055082 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.1 OCCC1=CC=C(F)C=C1 SBB086156 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.1 O\N=C\C1=CC=C(O)C=C1 SBB080079 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.3 BrCC1=CC=C(CBr)C=C1 SBB038639 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.3 C#CC1=CC=C(OC)C=C1 SBB063612 [1,0,0,0,0,0|0,0,2]=3 69 B10R1.3 CCC1=CC=C(C#N)C=C1 SBB059144 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.3 CCC1=CC=C(C=O)C=C1 SBB040197 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.3 CCC1=CC=C(CC)C=C1 SBB061169 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.3 CCC1=CC=C(CN)C=C1 SBB017636 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.3 CCC1=CC=C(NN)C=C1 SBB001777 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.3 CCC1=CC=C(NN)C=C1 SBB064984 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.3 CCC1=CC=C(OC)C=C1 SBB060457 [1,0,0,0,0,0|0,0,0]=1 76 B10R1.3 CNC1=CC=C(OC)C=C1 SBB072645 [1,0,0,0,0,0|1,0,0]=2 77 B10R1.3 COC1=CC=C(C#N)C=C1 SBB059484 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.3 COC1=CC=C(C#N)C=N1 SBB055563 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.3 COC1=CC=C(C=O)C=C1 SBB040224 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.3 COC1=CC=C(C=O)C=N1 SBB052248 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.3 COC1=CC=C(CBr)C=C1 SBB054916 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.3 COC1=CC=C(CCl)C=C1 SBB040608 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.3 COC1=CC=C(CN)C=C1 SBB040460 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.3 COC1=CC=C(CO)C=C1 SBB063123 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.3 COC1=CC=C(NN)C=C1 SBB012784 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.3 COC1=CC=C(NN)C=C1 SBB063180 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.3 COC1=CC=C(OC)C=C1 SBB060067 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.3 CSC1=CC=C(C#N)C=C1 SBB058371 [1,0,0,0,0,0|1,1,1]=4 89 B10R1.3 CSC1=CC=C(C=O)C=C1 SBB040212 [1,0,0,0,0,0|1,1,1]=4 90 B10R1.3 CSC1=CC=C(CN)C=C1 SBB017654 [1,0,0,0,0,0|1,1,0]=3 91 B10R1.3 CSC1=CC=C(CO)C=C1 SBB064786 [1,0,0,0,0,0|1,1,0]=3 92 B10R1.3 ClCC1=CC=C(CCl)C=C1 SBB058873 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.3 N#CC1=CC=C(CBr)C=C1 SBB040652 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.3 N#CC1=CC=C(CCl)C=C1 SBB012810 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.3 N#CC1=CC=C(CN)C=C1 SBB051423 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.3 N#CC1=CC=C(CO)C=C1 SBB065161 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.3 NCC1=CC=C(CN)C=C1 SBB069890 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.3 NCC1=CC=C(CO)C=C1 SBB052367 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.3 OCC1=CC=C(CO)C=C1 SBB008468 [1,0,0,0,0,0|3,0,0]=4 100 B12R1.4 C=CC1=CC=C(CN(C)C)C=C1 SBB116892 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 SBB019521 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 SBB010165 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 SBB080381 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.4 CN(C)CC1=CC=C(C=O)C=C1 SBB108985 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 SBB058345 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 SBB058529 [0,1,0,0,0,0|0,0,1]=2 107 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 SBB057982 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 SBB089824 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 SBB056791 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 SBB062093 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 SBB058957 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 SBB068771 [0,1,0,0,0,0|1,1,1]=4 113 B12R1.4 CSC1=CC=C(NC(C)=O)C=C1 SBB115654 [0,1,0,0,0,0|1,1,1]=4 114 B12R1.5 C#CC(=O)C1=CC=C(OC)C=C1 SBB074327 [0,1,0,0,0,0|0,0,3]=4 115 B12R1.5 CCC(=O)C1=CC=C(C#N)C=C1 SBB074336 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 SBB087799 [0,1,0,0,0,0|0,0,1]=2 117 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 SBB009830 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 SBB072734 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 SBB087913 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 SBB085415 [0,1,0,0,0,0|1,0,0]=2 121 B12R1.5 CNC1=CC=C(C(=O)OC)C=C1 SBB048194 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 SBB058204 [0,1,0,0,0,0|1,0,1]=3 123 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 SBB058538 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 SBB007777 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 SBB027247 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 SBB003530 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 SBB040977 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.5 COC1=CC=C(\C(C)=N/O)C=C1 SBB087911 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.5 COC1=CC=C(\C(Cl)=N\O)C=C1 SBB090329 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 SBB087986 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.71 C(=O)C1=CC=C(OCCC)C=C1 SBB008225 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.71 CCC1=CC=C(OCCN)C=C1 SBB050285 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.71 CCCCC1=CC=C(C#N)C=C1 SBB059146 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.71 CCCCC1=CC=C(C=O)C=C1 SBB059137 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.71 CCCCC1=CC=C(CN)C=C1 SBB059362 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.71 CCCOC1=CC=C(C#N)C=C1 SBB059141 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.71 CCCOC1=CC=C(CN)C=C1 SBB048897 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.71 COC1=CC=C(CCC#N)C=C1 SBB017671 [0,1,0,0,0,0|0,0,1]=2 139 B12R1.71 COC1=CC=C(CCCN)C=C1 SBB010459 [0,1,0,0,0,0|0,0,0]=1 140 B12R1.71 COC1=CC=C(OCC#N)C=C1 SBB055362 [0,1,0,0,0,0|1,0,1]=3 141 B12R1.71 COC1=CC=C(OCCBr)C=C1 SBB018220 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.71 COC1=CC=C(OCCN)C=C1 SBB002492 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.71 COC1=CC=C(OCCO)C=C1 SBB055468 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.71 CSC1=CC=C(OCCN)C=C1 SBB072300 [0,1,0,0,0,0|1,1,0]=3 145 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 SBB064918 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.71 O=CC1=CC=C(OCCO)C=C1 SBB010472 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.113 CC(=O)C1=CC=C(CCCl)C=C1 SBB089965 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 SBB007807 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 SBB020275 [0,1,0,0,0,0|1,0,0]=2 150 B12R1.113 CCCC1=CC=C([N+](=O)[O-])C=C1 SBB116893 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 SBB080432 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 SBB080437 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 SBB087954 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 SBB067896 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 SBB015394 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 SBB040279 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 SBB007021 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.113 CCOC1=CC=C([N+](=O)[O-])C=C1 SBB058653 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.113 CCSC1=CC=C(C(=O)O)C=C1 SBB000236 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 SBB007529 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 SBB080393 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 SBB111310 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 SBB010473 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.113 O=[N+]([O-])C1=CC=C(CCBr)C=C1 SBB063246 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 SBB058982 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.113 OC(=O)C1=CC=C(CCC)C=C1 SBB006558 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.114 COC1=CC(F)=C(CC#N)C=C1 SBB087895 [0,1,0,0,0,0|1,0,1]=3 168 B12R1.116 CCOC1=CC=C(CC#N)C=C1 SBB017666 [0,1,0,0,0,0|1,0,1]=3 169 B12R1.116 CCOC1=CC=C(N=C=O)C=C1 SBB048829 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.116 CCOC1=CC=C(N=C=S)C=C1 SBB010110 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.116 CCOC1=CC=C(OCC)C=C1 SBB060362 [0,1,0,0,0,0|1,0,0]=2 172 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 SBB058927 [0,1,0,0,0,0|1,0,1]=3 173 B12R1.288 COC1=CC=C(CC#N)C=C1F SBB079121 [0,1,0,0,0,0|1,0,1]=3 174 B12R2.44 COC1=CC2=NON=C2C=C1 SBB086688 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.44 COC1=CC2=NSN=C2C=C1 SBB088014 [0,0,0,1,0,0|3,0,0]=4 176 B12R2.44 COC1=CC=C2C=CNC2=C1 SBB055970 [0,0,0,1,0,0|1,0,2]=4 177 B12R2.44 COC1=CC=C2NC=NC2=C1 SBB086586 [0,0,0,1,0,0|2,0,1]=4 178 B12R2.44 N1C=CC2=C1C=CC(OC)=C2 SBB004094 [0,0,0,1,0,0|1,0,2]=4 179 B12R2.44 NCC1=CC2=C(C=C1)OCC2 SBB052498 [0,0,0,1,0,0|3,0,0]=4 180 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 SBB005559 [0,0,0,1,0,0|3,0,0]=4 181 B12R2.44 OCC1=CC2=C(C=C1)OCC2 SBB054831 [0,0,0,1,0,0|3,0,0]=4 182 B10R1.96 CCCC1=CC=C(C=O)O1 SBB302490 [0,0,0,0,1,0|3,0,0]=4 183 B10R1.96 CCCC1=CC=C(C=O)S1 SBB010356 [0,0,0,0,1,0|3,0,0]=4 184 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 CC1=CC=C(C#N)C=C1 SBB055483 [2,0,0,0,0,0|1,0,1]=4 187 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [2,0,0,0,0,0|0,0,0]=2 197 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.1 COC1=CC=C(Br)C=N1 SBB059393 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [2,0,0,0,0,0|0,0,0]=2 201 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.1 COC1=NC=C(F)C=C1 SBB085672 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.1 COC1=NC=C(N)C=C1 SBB016584 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [2,0,0,0,0,0|1,1,0]=4 208 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.1 N#CC1=CC=C(O)C=C1 SBB008054 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [2,0,0,0,0,0|1,1,0]=4 215 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.1 O=CC1=CC=C(O)C=C1 SBB028743 [2,0,0,0,0,0|1,0,1]=4 223 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.1 [NH3+]NC1=CC=C(C)C=C1 SBB058586 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [2,0,0,0,0,0|0,0,0]=2 234 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.8 COCC1=CC=CC=C1 SBB063549 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [2,0,0,0,0,0|1,0,1]=4 242 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [2,0,0,0,0,0|1,0,1]=4 251 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [2,0,0,0,0,0|1,0,0]=3 252 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [2,0,0,0,0,0|2,0,0]=4 253 B11R1.1 BrCCOC1=CC=C(Br)C=C1 SBB042543 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.1 C#CCNC1=CC=C(C)C=C1 SBB010306 [1,1,0,0,0,0|0,0,2]=4 255 B11R1.1 C=CCCC1=CC=C(F)C=C1 SBB008824 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.1 CC1=CC=C(NCCO)C=C1 SBB010327 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.1 CC1=CC=C(OCC#N)C=C1 SBB086536 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.1 CC1=CC=C(OCCBr)C=C1 SBB018129 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.1 CC1=CC=C(OCCN)C=C1 SBB016458 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.1 CC1=CC=C(SCCN)C=C1 SBB076443 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [1,1,0,0,0,0|0,0,0]=2 264 B11R1.1 CCCOC1=CC=C(Br)C=C1 SBB059354 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.1 CCCOC1=CC=C(N)C=C1 SBB008316 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.1 CCCOC1=CC=C(O)C=C1 SBB059151 [1,1,0,0,0,0|0,0,0]=2 267 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SBB080066 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.1 ClC1=CC=C(OCCBr)C=C1 SBB040699 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.1 FC1=CC=C(OCCBr)C=C1 SBB071709 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.1 N#CCCC1=CC=C(O)C=C1 SBB055251 [1,1,0,0,0,0|0,0,1]=3 271 B11R1.1 NC1=CC=C(NCCO)C=C1 SBB006780 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.1 NC1=CC=C(OCCO)C=C1 SBB024256 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.1 NCCCC1=CC=C(Cl)C=C1 SBB010509 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.1 NCCOC1=CC=C(Br)C=C1 SBB050336 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.1 NCCOC1=CC=C(Cl)C=C1 SBB010531 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.1 NCCOC1=CC=C(F)C=C1 SBB010365 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.1 NCCOC1=CC=C(N)C=C1 SBB050309 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.1 NCCSC1=CC=C(F)C=C1 SBB073189 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.1 OC1=CC=C(OCCBr)C=C1 SBB051429 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SBB055172 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.1 OCCSC1=CC=C(Cl)C=C1 SBB090866 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SBB058424 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SBB086853 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SBB059339 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 SBB043758 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 SBB060032 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 SBB047818 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SBB010330 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 SBB000454 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.20 CC(N)CC1=CC=C(F)C=C1 SBB052387 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SBB063734 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 SBB087944 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.20 CC1=CC=C(OC(F)F)C=C1 SBB087277 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 SBB109890 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 SBB028300 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SBB059600 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 SBB038706 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.22 CC1=CC=C(C(O)C#N)C=C1 SBB086534 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 SBB058414 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SBB056753 [1,1,0,0,0,0|0,0,1]=3 301 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 SBB035779 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 SBB058461 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 SBB040250 [1,1,0,0,0,0|0,0,1]=3 304 B11R1.22 CCC(N)C1=CC=C(C)C=C1 SBB017924 [1,1,0,0,0,0|0,0,0]=2 305 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 SBB046785 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.22 CCC(N)C1=CC=C(F)C=C1 SBB010339 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.22 CCC(N)C1=CC=C(O)C=C1 SBB080407 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.22 CCC(O)C1=CC=C(F)C=C1 SBB087018 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.22 CNC(=O)C1=CC=C(C)C=C1 SBB008263 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.22 COC(=O)C1=CC=C(C)C=C1 SBB064103 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.22 COC(=O)C1=CC=C(O)C=C1 SBB040908 [1,1,0,0,0,0|1,0,1]=4 312 B11R1.81 CC1=CC=C(CC#N)C(F)=C1 SBB064682 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 SBB088977 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.81 CCOC1=C(F)C=C(Cl)C=C1 SBB088962 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.81 CCOC1=CC=C(Br)C=C1N SBB072961 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.81 CCOC1=CC=C(C)C=C1C SBB061026 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.81 CCOC1=CC=C(Cl)C=C1Cl SBB061031 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.81 CCOC1=CC=C(F)C=C1N SBB073487 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.81 CCSC1=C(N)C=C(Cl)C=C1 SBB013592 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl SBB091049 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.192 CCOC1=CC(Cl)=C(F)C=C1 SBB088965 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 SBB088963 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.192 CCOC1=CC(F)=C(F)C=C1 SBB087276 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.192 CCOC1=CC=C(N)C(F)=C1 SBB071686 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.192 NCCC1=CC(O)=C(O)C=C1 SBB003668 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.192 NCCC1=CC=C(F)C(F)=C1 SBB084443 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.192 OC1=C(O)C=C(CCN)C=C1 SBB004044 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.192 OCCC1=CC=C(F)C(Cl)=C1 SBB088968 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.192 OCCC1=CC=C(F)C(F)=C1 SBB087275 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 SBB055505 [1,1,0,0,0,0|0,0,1]=3 331 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SBB086428 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 SBB040237 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 SBB042664 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.3 CC(C)C1=CC=C(CN)C=C1 SBB017646 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.3 CC(C)C1=CC=C(CO)C=C1 SBB065188 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.3 CC(C)C1=CC=C(NN)C=C1 SBB063839 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.3 CCC1=CC=C(B(O)O)C=C1 SBB048066 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.3 CCC1=CC=C(C(=N)N)C=C1 SBB073190 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 SBB006540 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 SBB037877 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 SBB040909 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.3 CCC1=CC=C(C(C)N)C=C1 SBB016483 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.3 CCC1=CC=C(C(N)=O)C=C1 SBB116864 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 SBB016505 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.3 CCC1=CC=C([N+](=O)[O-])C=C1 SBB060635 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.3 CN(C)C1=CC=C(CO)C=C1 SBB059054 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.3 COC1=CC=C(B(O)O)C=C1 SBB004055 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.3 COC1=CC=C(C(=N)N)C=C1 SBB048505 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 SBB040620 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.3 COC1=CC=C(C(=O)O)C=C1 SBB037872 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.3 COC1=CC=C(C(C)=O)C=C1 SBB040242 [1,1,0,0,0,0|0,0,1]=3 352 B11R1.3 COC1=CC=C(C(C)N)C=C1 SBB007015 [1,1,0,0,0,0|0,0,0]=2 353 B11R1.3 COC1=CC=C(C(N)=S)C=C1 SBB016507 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 SBB058741 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 SBB088031 [1,1,0,0,0,0|0,1,1]=4 356 B11R1.279 C(=O)C1=CC(Cl)=C(OC)C=C1 SBB003854 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.279 C(=O)C1=CC=C(OC)C(C)=C1 SBB008533 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.279 C(=O)C1=CC=C(OC)C(O)=C1 SBB008245 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 SBB006750 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.279 COC1=C(Br)C=C(CO)C=C1 SBB110877 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 SBB093974 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.279 COC1=C(F)C=C(CCl)C=C1 SBB088970 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.279 COC1=C(F)C=C(CO)C=C1 SBB087143 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.279 COC1=C(O)C=C(CN)C=C1 SBB012609 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.279 COC1=CC(F)=C(CBr)C=C1 SBB095704 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.279 COC1=CC(F)=C(OC)C=C1 SBB087138 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.279 COC1=CC(N)=C(OC)C=C1 SBB007581 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.279 COC1=CC(S)=C(OC)C=C1 SBB058944 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.279 COC1=CC=C(C#N)C(F)=C1 SBB055495 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.279 COC1=CC=C(C#N)C=C1Br SBB063838 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.279 COC1=CC=C(C#N)C=C1Cl SBB064607 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.279 COC1=CC=C(C#N)C=C1F SBB063645 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.279 COC1=CC=C(C#N)C=C1O SBB013384 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.279 COC1=CC=C(C=O)C(F)=C1 SBB063771 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.279 COC1=CC=C(C=O)C(O)=C1 SBB063106 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.279 COC1=CC=C(C=O)C=C1F SBB063092 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.279 COC1=CC=C(CBr)C=C1F SBB095696 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.279 COC1=CC=C(CN)C=C1F SBB087071 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.279 COC1=CC=C(CO)C(F)=C1 SBB064792 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.279 COC1=CC=C(CO)C=C1O SBB064953 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 SBB116863 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.279 COC1=CNC(CO)=CC1=O SBB087058 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.279 COC1=COC(CCl)=CC1=O SBB116036 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.279 COC1=COC(CO)=CC1=O SBB087126 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.279 [NH3+]NC1=CC=C(OC)C=C1C SBB116868 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.124 CCCC1=CC=C(C(C)=O)S1 SBB021427 [0,1,0,0,1,0|2,0,0]=4 387 B11R1.214 CCCCC1=CC=C(CC)S1 SBB116851 [0,1,0,0,1,0|2,0,0]=4 388 B13R1.4 COC1=CC=C(OC(F)(F)F)C=C1 SBB091375 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.5 CCC(C)OC1=CC=C(CN)C=C1 SBB080339 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.5 CNC(=S)NC1=CC=C(OC)C=C1 SBB000355 [0,2,0,0,0,0|1,0,1]=4 391 B13R1.5 COC(=O)NC1=CC=C(OC)C=C1 SBB089787 [0,2,0,0,0,0|1,0,1]=4 392 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 SBB059654 [0,2,0,0,0,0|1,0,1]=4 393 B13R1.5 COC1=CC=C(NC(=O)CBr)C=C1 SBB080043 [0,2,0,0,0,0|1,0,1]=4 394 B13R1.5 COC1=CC=C(NC(=O)CCl)C=C1 SBB017384 [0,2,0,0,0,0|1,0,1]=4 395 B13R1.5 COC1=CC=C(OC(C)CN)C=C1 SBB027279 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 SBB010652 [0,2,0,0,0,0|1,0,1]=4 397 B13R1.35 COC1=C(Cl)C=C(CC(=O)O)C=C1 SBB018546 [0,2,0,0,0,0|1,0,1]=4 398 B13R1.35 COC1=C(N)C=C(NC(C)=O)C=C1 SBB000217 [0,2,0,0,0,0|1,0,1]=4 399 B13R1.35 COC1=CC=C(CC(=O)O)C=C1Br SBB017829 [0,2,0,0,0,0|1,0,1]=4 400 B13R1.35 COC1=CC=C(CC(=O)O)C=C1F SBB017988 [0,2,0,0,0,0|1,0,1]=4 401 B13R1.35 COC1=CC=C(CC(=O)O)C=C1O SBB017714 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 SBB063581 [0,2,0,0,0,0|1,0,1]=4 403 B13R1.142 CCOC1=CC=C(CC(=O)O)C=C1 SBB077880 [0,2,0,0,0,0|1,0,1]=4 404 B13R1.142 N#CCC1=CC=C(OC(F)F)C=C1 SBB064900 [0,2,0,0,0,0|1,0,1]=4 405 B13R1.142 NCCC1=CC=C(OC(F)F)C=C1 SBB014865 [0,2,0,0,0,0|1,0,0]=3 406 B13R1.585 CC(=O)C1=CC=C(CC(C)C)C=C1 SBB007668 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 SBB089435 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.585 CC(C)OC1=CC=C(C(C)N)C=C1 SBB010642 [0,2,0,0,0,0|2,0,0]=4 409 B13R1.585 CC(N)CC1=CC=C(N(C)C)C=C1 SBB005697 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.653 COC1=CC(N)=C(OC(F)F)C=C1 SBB085450 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.653 COC1=CC=C(CC(=O)O)C(Br)=C1 SBB065954 [0,2,0,0,0,0|1,0,1]=4 412 B13R1.653 COC1=CC=C(CC(=O)O)C(F)=C1 SBB064503 [0,2,0,0,0,0|1,0,1]=4 413 B13R1.653 COC1=CC=C(NC(C)=O)C(N)=C1 SBB055485 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.39 COC1=CC=C(C(C#N)C=O)C=C1 SBB083134 [0,2,0,0,0,0|1,0,1]=4 415 B13R1.95 CCC(=O)C1=C(O)C=C(OC)C=C1 SBB027179 [0,2,0,0,0,0|0,0,1]=3 416 B13R1.95 COC(=O)C1=CC=C(OC)C=C1O SBB064005 [0,2,0,0,0,0|1,0,1]=4 417 B13R1.139 CCCC1=CC=C(\C(C)=N\O)C=C1 SBB089292 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.139 CCOC1=CC=C(C(=O)OC)C=C1 SBB041033 [0,2,0,0,0,0|1,0,0]=3 419 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 SBB080412 [0,2,0,0,0,0|0,0,0]=2 420 B13R1.139 CNCC1=CC=C(C(=O)OC)C=C1 SBB073195 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.187 CCC(C)(C)C1=CC=C(C=O)C=C1 SBB064604 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.187 CNS(=O)(=O)C1=CC=C(OC)C=C1 SBB092790 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.187 COC1=CC=C(C(C)(C)C#N)C=C1 SBB055157 [0,2,0,0,0,0|1,0,1]=4 424 B13R1.452 CCCC(=O)C1=CC=C(CC)C=C1 SBB056543 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.452 CCCC(=O)C1=CC=C(OC)C=C1 SBB048006 [0,2,0,0,0,0|0,0,0]=2 426 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 SBB071416 [0,2,0,0,0,0|0,0,1]=3 427 B13R1.452 CNCC(O)C1=CC=C(OC)C=C1 SBB027278 [0,2,0,0,0,0|0,0,0]=2 428 B13R1.452 COC1=CC=C(C(=O)CC#N)C=C1 SBB064537 [0,2,0,0,0,0|0,0,2]=4 429 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 SBB055437 [0,2,0,0,0,0|0,0,1]=3 430 B13R1.537 CCC(=O)C1=CC=C(C(C)C)C=C1 SBB028616 [0,2,0,0,0,0|1,0,1]=4 431 B13R1.537 CCC(C)C1=CC=C(B(O)O)C=C1 SBB050946 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 SBB020276 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.537 CCC(N)C1=CC=C(C(C)C)C=C1 SBB020611 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.3088 CCC(=O)C1=CC(Cl)=C(OC)C=C1 SBB019454 [0,2,0,0,0,0|0,0,1]=3 435 B13R1.3088 CNC(=O)C1=CC=C(OC)C(Br)=C1 SBB080409 [0,2,0,0,0,0|1,0,1]=4 436 B13R1.3088 COC(=O)C1=CC(I)=C(OC)C=C1 SBB053703 [0,2,0,0,0,0|1,0,1]=4 437 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 SBB053702 [0,2,0,0,0,0|1,0,1]=4 438 B13R1.3088 COC(=O)C1=CC=C(OC)C(Br)=C1 SBB067797 [0,2,0,0,0,0|1,0,1]=4 439 B13R1.3088 COC(=O)C1=CC=C(OC)C(O)=C1 SBB064951 [0,2,0,0,0,0|1,0,1]=4 440 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 SBB019518 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.3 CC(C)CSC1=CC=C(C=O)C=C1 SBB022490 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 SBB017700 [0,2,0,0,0,0|1,0,1]=4 443 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 SBB002546 [0,2,0,0,0,0|0,0,0]=2 444 B13R1.3 COC1=CC=C(CCC(C)N)C=C1 SBB010641 [0,2,0,0,0,0|0,0,0]=2 445 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 SBB017748 [0,2,0,0,0,0|1,0,1]=4 446 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 SBB004543 [0,2,0,0,0,0|1,0,1]=4 447 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 SBB010677 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.3 COC1=CC=C(OCC(N)=S)C=C1 SBB055418 [0,2,0,0,0,0|1,0,1]=4 449 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 SBB017375 [0,2,0,0,0,0|0,0,2]=4 450 B13R1.3 OC(=O)CCC1=CC=C(OC)C=C1 SBB003748 [0,2,0,0,0,0|0,0,1]=3 451 B13R1.74 CC(C)C1=CC=C(OCCN)C=C1 SBB016462 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.74 CCCCC1=CC=C(C(=O)O)C=C1 SBB059140 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.74 CCCCC1=CC=C(C(C)=O)C=C1 SBB046934 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.74 CCCCC1=CC=C(C(C)N)C=C1 SBB072165 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.74 CCCOC1=CC=C(B(O)O)C=C1 SBB071270 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.74 CCCOC1=CC=C(C(=O)O)C=C1 SBB006543 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.74 CCCOC1=CC=C(C(C)N)C=C1 SBB080351 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.74 CCOCC1=CC=C(C(=O)O)C=C1 SBB010653 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.77 CCCC1=CC=C(OCCN)C=C1 SBB072613 [0,2,0,0,0,0|0,0,0]=2 460 B13R1.77 CCCCC1=CC=C(N=C=O)C=C1 SBB046956 [0,2,0,0,0,0|1,0,1]=4 461 B13R1.77 CCCOC1=CC=C(CCN)C=C1 SBB080396 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.371 C#CCNCC1=CC=C(OC)C=C1 SBB051603 [0,2,0,0,0,0|0,0,1]=3 463 B13R1.371 C(=O)C1=CC=C(CCCCC)C=C1 SBB008364 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.371 C(=O)C1=CC=C(OCCCC)C=C1 SBB008007 [0,2,0,0,0,0|2,0,0]=4 465 B13R1.371 CCCCCC1=CC=C(C#N)C=C1 SBB059147 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.371 CCCCOC1=CC=C(C#N)C=C1 SBB008366 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.371 CNCCOC1=CC=C(OC)C=C1 SBB010669 [0,2,0,0,0,0|0,0,0]=2 468 B13R1.371 COC1=CC=C(OCCCBr)C=C1 SBB085358 [0,2,0,0,0,0|0,0,0]=2 469 B13R1.371 COCCOC1=CC=C(C=O)C=C1 SBB019284 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.388 CCOC1=CC(S)=C(OCC)C=C1 SBB058940 [0,2,0,0,0,0|1,0,0]=3 471 B13R1.388 CCOC1=CC=C(OCC)C(N)=C1 SBB058898 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 SBB007916 [0,2,0,0,0,0|0,0,2]=4 473 B13R1.386 CCCC1=CC(OC)=C(OC)C=C1 SBB007804 [0,2,0,0,0,0|0,0,0]=2 474 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 SBB010666 [0,2,0,0,0,0|1,0,0]=3 475 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 SBB050509 [0,2,0,0,0,0|1,0,1]=4 476 B13R1.386 COCC1=CC=C(OC)C(C=O)=C1 SBB303208 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.4031 COC1=C(F)C=C(CC#N)C=C1Cl SBB092522 [0,2,0,0,0,0|1,0,1]=4 478 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 SBB064278 [1,0,0,1,0,0|2,0,0]=4 479 B11R2.36 BrC1=CC2=C(C=C1)OCC2 SBB092410 [1,0,0,1,0,0|2,0,0]=4 480 B11R2.36 ClC1=CC2=C(C=C1)NCC2 SBB010106 [1,0,0,1,0,0|2,0,0]=4 481 B11R2.36 FC1=CC=C2NCCC2=C1 SBB085967 [1,0,0,1,0,0|2,0,0]=4 482 B11R2.36 IC1=CC=C2OCCC2=C1 SBB100062 [1,0,0,1,0,0|2,0,0]=4 483 B11R2.36 NC1=CC2=C(C=C1)CCC2 SBB028245 [1,0,0,1,0,0|1,0,0]=3 484 B11R2.36 OC1=CC2=C(C=C1)OCO2 SBB085996 [1,0,0,1,0,0|2,0,0]=4 485 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 SBB048388 [0,1,0,1,0,0|1,0,1]=4 486 B13R2.2121 COC1=CC2=C(C=C1)SC(C)=N2 SBB059122 [0,1,0,1,0,0|1,0,1]=4 487 B13R2.2121 COC1=CC2=C(C=C1)[Se]C(C)=N2 SBB057619 [0,1,0,1,0,0|1,0,1]=4 488 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 SBB056010 [0,1,0,1,0,0|1,0,1]=4 489 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 SBB066990 [0,1,0,1,0,0|0,0,1]=3 490 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 SBB038186 [0,1,0,1,0,0|1,0,1]=4 491 B13R2.57 CCC1=CC2=C(C=C1)CCCC2 SBB061515 [0,1,0,1,0,0|1,0,0]=3 492 B13R2.57 CCC1=CC=C2NCCCC2=C1 SBB072920 [0,1,0,1,0,0|1,0,0]=3 493 B13R2.57 CNC1=CC2=C(C=C1)OCCO2 SBB010456 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.57 COC1=CC2=C(C=C1)CNCC2 SBB019152 [0,1,0,1,0,0|0,0,0]=2 495 B13R2.57 COC1=CC=C2NCCCC2=C1 SBB002326 [0,1,0,1,0,0|0,0,0]=2 496 B13R2.57 NCC1=CC2=C(C=C1)OCCC2 SBB087706 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.669 COC1=CC2=C(C=C1)CCC2=O SBB066968 [0,1,0,1,0,0|0,0,1]=3 498 B13R2.669 COC1=CC=C2COC(=O)C2=C1 SBB067807 [0,1,0,1,0,0|1,0,1]=4 499 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCC2 SBB087453 [0,1,0,1,0,0|1,0,0]=3 500 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 SBB010429 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 SBB087613 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.430 CC(N)C1=CC2=C(C=C1)CCC2 SBB085478 [0,1,0,1,0,0|1,0,0]=3 503 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 SBB010435 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 SBB054960 [0,1,0,1,0,0|1,0,0]=3 505 B13R2.449 C\C=C\C1=CC2=C(C=C1)OCO2 SBB012358 [0,1,0,1,0,0|0,0,2]=4 506 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 SBB003528 [0,1,0,1,0,0|1,0,0]=3 507 B13R2.599 COC1=CC2=C(C=C1N)OCO2 SBB014408 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [1,0,0,0,1,0|2,0,0]=4 509 B9R1.7 CCCN1C=CC(C)=N1 SBB024160 [1,0,0,0,1,0|2,0,0]=4 510 B9R1.7 CNCC1=CC=C(C)O1 SBB085300 [1,0,0,0,1,0|2,0,0]=4 511 B9R1.7 CNCC1=CC=C(C)S1 SBB052471 [1,0,0,0,1,0|2,0,0]=4