0 B12R1.286 COC1=C(O)C=CC(SC#N)=C1 SBB000226 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.286 COC1=C(O)C=CC(\C=N\O)=C1 SBB019876 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.286 OC1=C(OC)C=C(CC=C)C=C1 SBB012362 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.189 COC1=CC(CCBr)=CC=C1 SBB027258 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 COC1=CC=CC(CC#N)=C1 SBB055078 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.189 COC1=CC=CC(CC=O)=C1 SBB052208 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.189 COC1=CC=CC(N=C=O)=C1 SBB048850 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.189 COC1=CC=CC(N=C=S)=C1 SBB030514 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.192 CC1=C(C)C=C(NC=O)C=C1 SBB084409 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.192 NCCC1=CC(O)=C(O)C=C1 SBB003668 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.192 OC1=C(O)C=C(CCN)C=C1 SBB004044 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.280 C(=O)C1=CC(OC)=C(O)C=C1 SBB000108 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.280 C(=O)C1=CC=C(C)C(OC)=C1 SBB008620 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.280 CCC1=CC(OC)=C(O)C=C1 SBB008068 [1,0,0,0,0,0|0,0,1]=2 14 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 SBB079031 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.280 COC1=C(F)C=CC(CO)=C1 SBB054758 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 COC1=C(O)C=CC(C#N)=C1 SBB019877 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.280 COC1=C(O)C=CC(CN)=C1 SBB003667 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.280 COC1=CC(C#N)=CC=C1F SBB063008 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.280 COC1=CC(C=O)=CC=C1F SBB063627 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.280 COC1=CC(CO)=CC=C1O SBB058789 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.280 COC1=CC=C(N)C(OC)=C1 SBB040471 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 SBB072693 [0,1,0,0,0,0|0,0,2]=3 23 B13R1.49 COC(=O)C1=CC=C(O)C(OC)=C1 SBB008281 [0,1,0,0,0,0|1,0,2]=4 24 B13R1.49 COC1=C(O)C=CC(C(O)C#N)=C1 SBB071697 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.49 COC1=C(O)C=CC(C(O)CN)=C1 SBB003359 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.52 COC1=C(O)C=CC(CC(C)=O)=C1 SBB071418 [0,1,0,0,0,0|0,0,1]=2 27 B13R1.52 COC1=CC(CC(=O)O)=CC=C1O SBB063413 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.384 CCOC1=C(O)C=CC(\C=N\O)=C1 SBB028718 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 SBB007916 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.386 CCCC1=CC(OC)=C(OC)C=C1 SBB007804 [0,1,0,0,0,0|0,0,2]=3 31 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 SBB010666 [0,1,0,0,0,0|1,0,1]=3 32 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 SBB050509 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.386 COC1=C(OC)C=C(N=C=S)C=C1 SBB091895 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.386 COC1=C(OC)C=C(\C=N\O)C=C1 SBB079282 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.2900 COC1=C(O)C=C(Br)C(\C=N\O)=C1 SBB028705 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.4030 COC1=C(O)C(Br)=CC(\C=N\O)=C1 SBB016331 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.4030 COC1=C(O)C(I)=CC(\C=N\O)=C1 SBB028714 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.4030 COC1=CC(\C=N\O)=CC(N)=C1O SBB116001 [0,1,0,0,0,0|2,0,1]=4 39 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 SBB054960 [0,0,0,1,0,0|2,0,1]=4 40 B13R2.449 C\C=C\C1=CC2=C(C=C1)OCO2 SBB012358 [0,0,0,1,0,0|0,0,2]=3 41 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 SBB003528 [0,0,0,1,0,0|1,0,1]=3 42 B10R1.10 CC1=CC=CC(CC#N)=C1 SBB068545 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.10 CNCC1=CC(O)=CC=C1 SBB046532 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.10 NNCC1=CC(O)=CC=C1 SBB003436 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.172 COC1=CC(C=O)=CC=C1 SBB040264 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.172 COC1=CC(CN)=CC=C1 SBB061735 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.172 COC1=CC(CO)=CC=C1 SBB063359 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.172 COC1=CC(NN)=CC=C1 SBB064981 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.172 COC1=CC=CC(C#N)=C1 SBB055059 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.172 COC1=CC=CC(CBr)=C1 SBB054900 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.172 COC1=CC=CC(CCl)=C1 SBB040609 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.172 COC1=CC=CC(OC)=C1 SBB060066 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.172 COC1=CN=CC(C=O)=C1 SBB052243 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.1 C=COC1=CC=C(N)C=C1 SBB010266 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [2,0,0,0,0,0|0,0,2]=4 57 B10R1.1 CNCC1=CC=C(O)C=C1 SBB046545 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.1 N#CCC1=CC=C(O)C=C1 SBB063205 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.1 NCCC1=CC=C(O)C=C1 SBB003808 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.1 O=CCC1=CC=C(Br)C=C1 SBB052205 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.1 O=CCC1=CC=C(F)C=C1 SBB052206 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.176 C=CC1=CC(F)=C(F)C=C1 SBB086128 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.176 CC1=CC(C=O)=CC=C1F SBB063863 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.176 CC1=CC(CN)=CC=C1F SBB069920 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.176 CC1=CC=C(C=O)C=C1C SBB063355 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.176 CC1=CC=C(CN)C=C1C SBB028250 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.176 CC1=CC=C(CO)C=C1C SBB063329 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.176 CCC1=CC(C)=C(C)C=C1 SBB061288 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.176 CCC1=CC=C(O)C(N)=C1 SBB000071 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.176 N#CC1=CC=C(O)C(O)=C1 SBB008582 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.176 O=CC1=CC(F)=C(O)C=C1 SBB048182 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.176 O=CC1=CC=C(O)C(Br)=C1 SBB063051 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.176 O=CC1=CC=C(O)C(Cl)=C1 SBB005887 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.176 O=CC1=CC=C(O)C(O)=C1 SBB040269 [2,0,0,0,0,0|1,0,0]=3 76 B10R1.30 CC1=CC=C(O)C(C=O)=C1 SBB063013 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.30 CCC1=C(O)C=CC(C)=N1 SBB080737 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.30 CCC1=NC(C)=CC=C1O SBB080762 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 SBB059051 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.30 COC1=C(Br)C=CC(F)=C1 SBB093400 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.30 COC1=C(Br)C=CC(N)=C1 SBB059059 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.30 COC1=C(C)C=CC(Cl)=C1 SBB059060 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.30 COC1=C(C)C=CC(F)=C1 SBB086158 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.30 COC1=C(C)C=CC(N)=C1 SBB085977 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 SBB059053 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.30 COC1=C(F)C=CC(F)=C1 SBB086327 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.30 COC1=C(O)C=CC(C)=C1 SBB008258 [2,0,0,0,0,0|0,0,0]=2 88 B10R1.30 COC1=C(O)C=CC(N)=C1 SBB010275 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.30 COC1=CC(Br)=CC=C1N SBB051732 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.30 COC1=CC(C)=CC=C1F SBB086162 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.30 COC1=CC(Cl)=CC=C1N SBB085532 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.30 COC1=CC(F)=CC=C1O SBB055422 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.30 COC1=CC(N)=CC=C1Cl SBB070068 [2,0,0,0,0,0|2,0,0]=4 94 B12R1.278 CCOC1=CC(CCN)=CC=C1 SBB017676 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.280 C=CCC1=CC=CC(C=O)=C1O SBB010096 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.382 COC1=CC(OCCN)=CC=C1 SBB016461 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.382 COC1=CC=CC(CCCN)=C1 SBB010466 [1,1,0,0,0,0|0,0,2]=4 98 B12R1.382 COC1=CC=CC(OCCBr)=C1 SBB011620 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 SBB087783 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.438 COC1=CC(NC(C)=O)=CC=C1 SBB080674 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 SBB042511 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.438 COC1=CC=CC(CC(N)=S)=C1 SBB055060 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.438 COC1=CC=CC(NC(N)=O)=C1 SBB087993 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.19 CC1=CC(CC(=O)O)=CC=C1F SBB088168 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C SBB017956 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.19 NC1=C(O)C=CC(CC(=O)O)=C1 SBB052639 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 SBB071465 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 SBB064931 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.44 NCCC1=CC(O)=C(O)C(O)=C1 SBB000447 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 SBB066098 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.367 NC[C@@H](O)C1=CC(O)=C(O)C=C1 SBB064179 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 SBB003496 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O SBB072315 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 SBB008019 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.56 COC1=CC(C(=O)O)=CC=C1C SBB048279 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl SBB008504 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.56 COC1=CC(C(=O)O)=CC=C1F SBB051453 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.56 COC1=CC(C(=O)O)=CC=C1N SBB008622 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.56 COC1=CC(C(=O)O)=CC=C1O SBB008280 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.56 COC1=CC(C(C)=O)=CC=C1F SBB064944 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.56 COC1=CC(C(C)=O)=CC=C1O SBB008060 [1,1,0,0,0,0|0,0,1]=3 122 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 SBB028801 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.78 COC1=C(OC)C=C(CN)C=C1 SBB042487 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.78 COC1=C(OC)C=C(CO)C=C1 SBB058837 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.78 COC1=CC=C(C=O)C=C1OC SBB040236 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.78 COC1=CC=C(CO)C(OC)=C1 SBB063101 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.300 COC1=C(O)C(Br)=CC(C#N)=C1 SBB019879 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.300 COC1=C(O)C(Cl)=CC(C#N)=C1 SBB019878 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 SBB001593 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 SBB019882 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.300 COC1=CC(C#N)=CC(N)=C1O SBB115983 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O SBB016336 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.300 COC1=CC(C=O)=CC(O)=C1O SBB042846 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.300 OC1=C(OC)C=C(C=O)C=C1I SBB006927 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.449 COC1=C(O)C=C(Br)C(C#N)=C1 SBB028709 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 SBB019880 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 SBB010751 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.449 COC1=CC(C=O)=C(O)C=C1O SBB072148 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.654 C(=O)C1=CC=C(F)C(OC)=C1F SBB088595 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.654 COC1=C(F)C(CBr)=CC=C1F SBB098713 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.654 COC1=C(F)C(CN)=CC=C1F SBB088745 [1,1,0,0,0,0|2,0,0]=4 142 B14R1.41 OC(=O)C(O)C1=CC(OC)=C(O)C=C1 SBB017532 [0,2,0,0,0,0|1,0,0]=3 143 B14R1.3651 COC1=C(OC)C=C(CC(C)O)C=C1 SBB072682 [0,2,0,0,0,0|0,0,2]=4 144 B14R1.3651 COC1=CC=C(CC(=O)O)C=C1OC SBB040533 [0,2,0,0,0,0|1,0,0]=3 145 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC SBB051427 [0,2,0,0,0,0|0,0,1]=3 146 B14R1.4106 COC1=C(F)C(CC(=O)O)=CC=C1F SBB092889 [0,2,0,0,0,0|2,0,0]=4 147 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 SBB085490 [0,2,0,0,0,0|0,0,2]=4 148 B14R1.14946 COC1=CC(Br)=C(CC#N)C=C1OC SBB017831 [0,2,0,0,0,0|1,0,1]=4 149 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 SBB014922 [0,2,0,0,0,0|0,0,1]=3 150 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 SBB000326 [0,2,0,0,0,0|0,0,1]=3 151 B14R1.42 COC1=C(O)C=CC(\C=C\[N+](=O)[O-])=C1 SBB091843 [0,2,0,0,0,0|1,0,1]=4 152 B14R1.42 COC1=CC(CCC(C)=O)=CC=C1O SBB071427 [0,2,0,0,0,0|0,0,1]=3 153 B14R1.3236 COC1=CC(CCN)=CC(OC)=C1O SBB017821 [0,2,0,0,0,0|1,0,1]=4 154 B14R1.3236 OC1=C(OC)C=C(CC=C)C=C1OC SBB003607 [0,2,0,0,0,0|0,0,0]=2 155 B12R2.44 COC1=CC=C2C=CNC2=C1 SBB055970 [1,0,0,1,0,0|1,0,0]=3 156 B12R2.44 COC1=CC=C2NC=NC2=C1 SBB086586 [1,0,0,1,0,0|2,0,0]=4 157 B12R2.44 N1C=CC2=C1C=CC(OC)=C2 SBB004094 [1,0,0,1,0,0|1,0,1]=4 158 B12R2.315 COC1=C2C=CNC2=CC=C1 SBB055969 [1,0,0,1,0,0|1,0,0]=3 159 B12R2.315 COC1=C2NC=CC2=CC=C1 SBB055971 [1,0,0,1,0,0|1,0,1]=4 160 B14R2.1008 CC(=O)NC1=CC=C2OCOC2=C1 SBB007866 [0,1,0,1,0,0|1,0,1]=4 161 B14R2.1008 NC(=S)NC1=CC2=C(C=C1)OCO2 SBB017746 [0,1,0,1,0,0|2,0,0]=4 162 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 SBB010977 [0,1,0,1,0,0|1,0,0]=3 163 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 SBB063736 [0,1,0,1,0,0|2,0,0]=4 164 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 SBB000212 [0,1,0,1,0,0|1,0,0]=3 165 B14R2.112 NCCC1=CC=C2OCCOC2=C1 SBB027961 [0,1,0,1,0,0|1,0,1]=4 166 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 SBB002597 [0,1,0,1,0,0|0,0,2]=4 167 B14R2.82 COC1=C(OC)C=C2NC=NC2=C1 SBB016861 [0,1,0,1,0,0|2,0,0]=4 168 B14R2.991 CCCCC1=CC=C2OCOC2=C1 SBB008465 [0,1,0,1,0,0|0,0,2]=4 169 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 SBB050359 [0,1,0,1,0,0|1,0,1]=4 170 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 SBB056142 [0,1,0,1,0,0|1,0,1]=4