0 B11R1.24 CC1=CC(OCCBr)=CC=C1 SBB018128 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.24 CC1=CC=CC(CCCO)=N1 SBB047991 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.24 CC1=CC=CC(OCCN)=C1 SBB014043 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.24 CCCNC1=CC(C)=CC=C1 SBB048620 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.24 CCCOC1=CC(N)=CC=C1 SBB080014 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.24 N#CCCC1=CC(Br)=CC=C1 SBB058929 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.24 NC1=CC(OCCO)=CC=C1 SBB085153 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.24 NCCOC1=CC(Br)=CC=C1 SBB072545 [0,0,0,0,0,0|3,1,0]=4 8 B11R1.24 NCCOC1=CC(Cl)=CC=C1 SBB050335 [0,0,0,0,0,0|3,1,0]=4 9 B11R1.24 NCCOC1=CC=CC(F)=C1 SBB027281 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.10 CC1=CC=CC(CC#N)=C1 SBB068545 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.10 CCOC1=CC(N)=CC=C1 SBB059860 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.10 CCOC1=CC=CC(C)=C1 SBB060989 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.10 CCOC1=CC=CC(O)=C1 SBB005788 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.10 CNCC1=CC(O)=CC=C1 SBB046532 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.10 CNCC1=NC(C)=CC=C1 SBB110044 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.10 FC1=CC=CC(C[Zn]Cl)=C1 SBB094274 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.10 FC1=CC=CC(N=C=S)=C1 SBB006700 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.10 N#CCC1=CC(Br)=CC=C1 SBB006625 [1,0,0,0,0,0|0,1,2]=4 19 B10R1.10 N#CCC1=CC(Cl)=CC=C1 SBB057203 [1,0,0,0,0,0|0,1,2]=4 20 B10R1.10 N#CCC1=CC=CC(F)=C1 SBB063692 [1,0,0,0,0,0|0,0,2]=3 21 B10R1.10 NNCC1=CC(O)=CC=C1 SBB003436 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.10 O=C=NC1=CC=CC(F)=C1 SBB048876 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.10 OCCC1=CC(F)=CC=C1 SBB055447 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.10 O\N=C\C1=CC(F)=CC=C1 SBB086054 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 C#CCNC1=CC=CC=C1 SBB010262 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 C#CCOC1=CC=CC=C1 SBB008983 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.17 CCNCC1=CC=NC=C1 SBB058813 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 N#CCOC1=CC=CC=C1 SBB016774 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 N#CSCC1=CC=CC=C1 SBB056767 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.17 OCCCC1=CC=NC=C1 SBB072686 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 S=C=NCC1=CC=CC=C1 SBB002731 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 SBB008183 [1,0,0,0,0,0|2,0,1]=4 59 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 SBB064679 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 SBB000429 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.17 CNC[C@@H](O)C1=CC(O)=CC=C1 SBB064156 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.28 CC1=CC(OCCCN)=CC=C1 SBB085451 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.28 CCCCCC1=CC=CC(=O)O1 SBB008445 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.28 OCCNCC1=CC=CC(Cl)=C1 SBB111087 [0,1,0,0,0,0|2,1,0]=4 65 B12R1.50 CNC(C)CC1=CC(C)=CC=N1 SBB025633 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.50 NNC(=O)CC1=CC(Cl)=CC=C1 SBB055220 [0,1,0,0,0,0|1,1,1]=4 67 B12R1.50 NNC(=S)NC1=CC(F)=CC=C1 SBB048278 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 SBB080148 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [0,1,0,0,0,0|1,1,0]=3 70 B12R1.226 CC(C)COC1=CC(N)=CC=C1 SBB027489 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 SBB109027 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 SBB067747 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 SBB028355 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 SBB010231 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SBB057915 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SBB063235 [0,1,0,0,0,0|2,1,0]=4 77 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SBB005906 [0,1,0,0,0,0|2,1,0]=4 78 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SBB027407 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.374 COCOC1=C(F)C=CC(F)=C1 SBB088869 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.382 CCCOC1=CC(C=O)=CC=C1 SBB009935 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.382 COC1=CC=CC(CCCN)=C1 SBB010466 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.385 CCCCC1=CC=C(N)C(C)=C1 SBB087730 [0,1,0,0,0,0|2,0,0]=3 83 B12R2.24 BrC1=CC=C2NCCCC2=C1 SBB013968 [0,0,0,1,0,0|2,1,0]=4 84 B12R2.24 CC1=CC2=C(C=C1)NCCC2 SBB027083 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 SBB060946 [0,0,0,1,0,0|1,1,0]=3 86 B12R2.24 NC1=CC2=C(C=C1)CCCC2 SBB013463 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.203 CN1N=NC2=C1C(N)=CC=C2 SBB073621 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 SBB056356 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 SBB010309 [0,0,0,1,0,0|1,0,2]=4 90 B12R2.612 CN1C=NC2=CC(N)=CC=C21 SBB047718 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.612 CN1N=CC2=CC(Br)=CC=C21 SBB054728 [0,0,0,1,0,0|1,1,1]=4 92 B12R2.612 CN1N=CC2=CC(N)=CC=C21 SBB052094 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 SBB069432 [0,0,0,1,0,0|2,1,0]=4 94 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 SBB054671 [0,0,0,1,0,0|2,1,0]=4 95 B12R2.612 O=C1CCC2=CC(F)=CC=C12 SBB054670 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.1081 CC1=CC=CC2=C1NCCC2 SBB021213 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.1081 NC1=C2CCCCC2=CC=C1 SBB004091 [0,0,0,1,0,0|2,0,0]=3 98 B12R2.1081 NC1=C2NCCCC2=CC=C1 SBB043885 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.1081 OC1=C2CCCCC2=CC=C1 SBB059308 [0,0,0,1,0,0|2,0,0]=3 100 B12R2.1081 OC1=CC=CC2=C1NCCC2 SBB014292 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.29 CNCCN1C=CN=C1C SBB303121 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.2 C#CC1=CC=CC(F)=C1 SBB064527 [2,0,0,0,0,0|0,0,2]=4 103 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [2,0,0,0,0,0|1,0,0]=3 107 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [2,0,0,0,0,0|1,0,0]=3 111 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [2,0,0,0,0,0|0,1,0]=3 113 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [2,0,0,0,0,0|1,1,0]=4 115 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.2 CNC1=CC(Cl)=CC=C1 SBB086218 [2,0,0,0,0,0|0,1,0]=3 117 B9R1.2 COC1=CC(Br)=CC=C1 SBB007886 [2,0,0,0,0,0|1,1,0]=4 118 B9R1.2 COC1=CC(F)=CC=C1 SBB085642 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.2 COC1=CC(O)=CC=C1 SBB060932 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.2 COC1=CC=CC(F)=N1 SBB085671 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.2 COC1=CC=CC(I)=C1 SBB059058 [2,0,0,0,0,0|1,1,0]=4 123 B9R1.2 COC1=CC=CC(N)=C1 SBB040499 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.2 ClCC1=CC(Cl)=CC=C1 SBB040671 [2,0,0,0,0,0|1,1,0]=4 125 B9R1.2 FC1=CC(CBr)=CC=C1 SBB090883 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.2 FC1=CC=CC(CCl)=C1 SBB040605 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.2 N#CC1=CC=CC(F)=C1 SBB063653 [2,0,0,0,0,0|0,0,2]=4 128 B9R1.2 NC1=CC=CC(CO)=C1 SBB037932 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.2 NCC1=CC(Br)=CN=C1 SBB090527 [2,0,0,0,0,0|1,1,0]=4 130 B9R1.2 NCC1=CC(Cl)=CC=C1 SBB004155 [2,0,0,0,0,0|0,1,0]=3 131 B9R1.2 NCC1=CC(Cl)=NC=C1 SBB052439 [2,0,0,0,0,0|1,1,0]=4 132 B9R1.2 NCC1=CC=CC(Br)=C1 SBB005796 [2,0,0,0,0,0|0,1,0]=3 133 B9R1.2 NCC1=CC=CC(F)=C1 SBB028218 [2,0,0,0,0,0|0,0,0]=2 134 B9R1.2 NNC1=CC(Cl)=CC=C1 SBB017147 [2,0,0,0,0,0|1,1,0]=4 135 B9R1.2 NNC1=CC=CC(Br)=C1 SBB064980 [2,0,0,0,0,0|1,1,0]=4 136 B9R1.2 NNC1=CC=CC(Cl)=C1 SBB063250 [2,0,0,0,0,0|1,1,0]=4 137 B9R1.2 NNC1=CC=CC(F)=C1 SBB063994 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.2 O=CC1=CC=CC(F)=C1 SBB040273 [2,0,0,0,0,0|1,0,1]=4 139 B9R1.2 OCC1=CC(F)=CC=C1 SBB064188 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.2 OCC1=CC(I)=CC=C1 SBB068728 [2,0,0,0,0,0|1,1,0]=4 141 B9R1.2 OCC1=CC(S)=CC=C1 SBB054760 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.2 OCC1=CC=CC(Br)=C1 SBB063014 [2,0,0,0,0,0|1,1,0]=4 143 B9R1.2 OCC1=CC=CC(Cl)=C1 SBB064716 [2,0,0,0,0,0|1,1,0]=4 144 B9R1.2 OCC1=CC=CC(O)=C1 SBB068731 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.2 [NH3+]CC1=CC(I)=CC=C1 SBB058984 [2,0,0,0,0,0|0,1,1]=4 146 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [2,0,0,0,0,0|0,0,0]=2 149 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [2,0,0,0,0,0|0,0,0]=2 151 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.8 CNCC1=NC=CN=C1 SBB014431 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.8 COCC1=CC=CC=C1 SBB063549 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [2,0,0,0,0,0|0,0,2]=4 158 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [2,0,0,0,0,0|0,0,0]=2 159 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [2,0,0,0,0,0|1,0,0]=3 160 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [2,0,0,0,0,0|1,0,1]=4 168 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [2,0,0,0,0,0|2,0,0]=4 170 B11R1.13 CC1=C(F)C=CC=C1CC#N SBB086641 [1,1,0,0,0,0|0,0,2]=4 171 B11R1.13 N#CCC1=CC=CC(F)=C1F SBB063630 [1,1,0,0,0,0|0,0,2]=4 172 B11R1.13 OCCC1=CC=CC(Cl)=C1F SBB088973 [1,1,0,0,0,0|1,1,0]=4 173 B11R1.13 OCCC1=CC=CC(F)=C1F SBB087274 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 SBB012414 [1,1,0,0,0,0|0,1,1]=4 175 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 SBB058431 [1,1,0,0,0,0|0,1,1]=4 176 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 SBB086852 [1,1,0,0,0,0|0,0,1]=3 177 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 SBB046784 [1,1,0,0,0,0|0,1,0]=3 178 B11R1.23 CCC(O)C1=CC(F)=CC=C1 SBB087015 [1,1,0,0,0,0|0,0,0]=2 179 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 SBB051764 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.23 NCC(O)C1=CC(O)=CC=C1 SBB000279 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 SBB055221 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.23 OC1=CC=CC(C(CN)O)=C1 SBB004042 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.34 CC1=CC(F)=CC(CC#N)=C1 SBB086637 [1,1,0,0,0,0|0,0,2]=4 184 B11R1.34 CCOC1=CC(Cl)=CC(F)=C1 SBB088964 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.34 CNCC1=CC(F)=CC(F)=C1 SBB052361 [1,1,0,0,0,0|0,0,0]=2 186 B11R1.34 N#CCC1=CC(F)=CC(Cl)=C1 SBB064438 [1,1,0,0,0,0|0,0,2]=4 187 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 SBB064299 [1,1,0,0,0,0|0,0,2]=4 188 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 SBB086850 [1,1,0,0,0,0|0,0,1]=3 189 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 SBB086915 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 SBB086985 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.157 CC(C)OC1=CC=CC(N)=C1 SBB010221 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.157 CC1=NC(CC(C)O)=CC=C1 SBB025634 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.157 CN(C)CC1=CC(Br)=CC=C1 SBB109591 [1,1,0,0,0,0|0,1,0]=3 194 B11R1.157 NC(=S)NC1=CC(F)=CC=C1 SBB055209 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 SBB088714 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 SBB063367 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.182 CC1=CC(CCO)=C(C)C=C1 SBB005840 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 SBB088978 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.182 CCOC1=C(O)C=CC(C)=C1 SBB007984 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.182 N#CCC1=C(Br)C=CC(F)=C1 SBB094882 [1,1,0,0,0,0|0,0,2]=4 201 B11R1.182 N#CCC1=C(F)C=CC(F)=C1 SBB064050 [1,1,0,0,0,0|0,0,2]=4 202 B11R1.182 OCCC1=C(F)C=CC(F)=C1 SBB087273 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.189 C(=O)C1=CC(OCC)=CC=C1 SBB004072 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.189 CCCC1=NC=CC(C#N)=C1 SBB071707 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.189 COC1=CC(CCBr)=CC=C1 SBB027258 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.192 CCOC1=CC(Cl)=C(F)C=C1 SBB088965 [1,1,0,0,0,0|1,1,0]=4 207 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 SBB088963 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.192 CCOC1=CC(F)=C(F)C=C1 SBB087276 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.192 CCOC1=CC=C(N)C(F)=C1 SBB071686 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.192 FC1=C(F)C=C(C[Mg]Br)C=C1 SBB097795 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.192 N#CCC1=CC=C(F)C(F)=C1 SBB006630 [1,1,0,0,0,0|0,0,2]=4 212 B11R1.192 NCCC1=CC(O)=C(O)C=C1 SBB003668 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.192 NCCC1=CC=C(F)C(F)=C1 SBB084443 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.192 OC1=C(O)C=C(CCN)C=C1 SBB004044 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.192 OCCC1=CC=C(F)C(Cl)=C1 SBB088968 [1,1,0,0,0,0|1,1,0]=4 216 B11R1.192 OCCC1=CC=C(F)C(F)=C1 SBB087275 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.1 C=CCCC1=CC=C(F)C=C1 SBB008824 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.1 CCCOC1=CC=C(Br)C=C1 SBB059354 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.1 CCCOC1=CC=C(N)C=C1 SBB008316 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.1 CCCOC1=CC=C(O)C=C1 SBB059151 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SBB080066 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.1 N#CCCC1=CC=C(O)C=C1 SBB055251 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.1 NCCCC1=CC=C(Cl)C=C1 SBB010509 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SBB055172 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [1,1,0,0,0,0|0,0,0]=2 232 B11R1.17 CCCOC1=CC=CC=C1C SBB060850 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.17 CCCOC1=CC=CC=C1N SBB027936 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.17 NCCCC1=CC=CC=C1Cl SBB010508 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.28 C#CCNCC1=CC=CC=C1 SBB300092 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.28 CC#CCNC1=CC=CC=C1 SBB010305 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [1,1,0,0,0,0|0,0,0]=2 244 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.28 N#CCCNC1=CC=CC=C1 SBB004106 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [1,1,0,0,0,0|0,0,2]=4 256 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.28 S=C=NCCC1=CC=CC=C1 SBB002732 [1,1,0,0,0,0|0,0,2]=4 260 B11R1.40 C1=CC=C(NC(=S)NC)C=C1 SBB003887 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.40 CNC(=O)NC1=CC=CC=C1 SBB008334 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.40 CNC(C)CC1=CC=CC=N1 SBB025630 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.40 CNC(C)CC1=CN=CC=N1 SBB025635 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.40 NNC(=O)CC1=CC=CC=C1 SBB046750 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.91 CC(N)COC1=CC=CC=C1 SBB084093 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.91 CN(C)\C=N\C1=CC=CC=C1 SBB007927 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.91 OB(O)CCC1=CC=CC=C1 SBB071100 [1,1,0,0,0,0|2,0,0]=4 279 B13R1.18 [NH2+](CC)CC(O)C1=CC=CC(O)=C1 SBB057403 [0,2,0,0,0,0|1,0,1]=4 280 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 SBB048872 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 SBB057989 [0,2,0,0,0,0|1,0,1]=4 282 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 SBB063792 [0,2,0,0,0,0|1,0,0]=3 283 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 SBB012384 [0,2,0,0,0,0|1,0,0]=3 284 B13R1.150 CC1=C(CCC(=O)O)C=CC=C1F SBB089904 [0,2,0,0,0,0|2,0,0]=4 285 B13R1.6 CCOCCOC1=CC(N)=CC=C1 SBB080162 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 SBB079913 [0,2,0,0,0,0|1,0,0]=3 287 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 SBB085423 [0,2,0,0,0,0|2,0,0]=4 288 B13R1.656 CCCCCC1=CC(C)=CC=C1O SBB059373 [0,2,0,0,0,0|2,0,0]=4 289 B13R1.666 COCCOC1=CC(C=O)=CC=C1 SBB085460 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.666 COCCOC1=CC(CN)=CC=C1 SBB085454 [0,2,0,0,0,0|2,0,0]=4 291 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O SBB063823 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.3420 CC1=CC(F)=CC(CCC(=O)O)=C1 SBB089901 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 SBB090378 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1F SBB089902 [0,2,0,0,0,0|2,0,0]=4 295 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 SBB093011 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.511 O=C(O)CCC1=CC=C(F)C(F)=C1 SBB068268 [0,2,0,0,0,0|2,0,0]=4 297 B13R1.893 CC1=C(CCC(=O)O)C=C(F)C=C1 SBB089897 [0,2,0,0,0,0|2,0,0]=4 298 B11R2.35 BrC1=CC(C2CC2)=CC=C1 SBB054182 [1,0,0,1,0,0|0,1,0]=3 299 B11R2.36 BrC1=CC2=C(C=C1)OCC2 SBB092410 [1,0,0,1,0,0|1,1,0]=4 300 B11R2.36 ClC1=CC2=C(C=C1)NCC2 SBB010106 [1,0,0,1,0,0|0,1,0]=3 301 B11R2.36 FC1=CC2=C(C=C1)NN=C2 SBB085922 [1,0,0,1,0,0|1,0,1]=4 302 B11R2.36 FC1=CC=C2NC=CC2=C1 SBB085893 [1,0,0,1,0,0|0,0,2]=4 303 B11R2.36 FC1=CC=C2NCCC2=C1 SBB085967 [1,0,0,1,0,0|0,0,0]=2 304 B11R2.36 IC1=CC=C2OCCC2=C1 SBB100062 [1,0,0,1,0,0|1,1,0]=4 305 B11R2.36 NC1=CC2=C(C=C1)CCC2 SBB028245 [1,0,0,1,0,0|1,0,0]=3 306 B11R2.106 FC1=C2NC=CC2=CC=C1 SBB054566 [1,0,0,1,0,0|0,0,2]=4 307 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [1,0,0,1,0,0|2,0,0]=4 308 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [1,0,0,1,0,0|2,0,0]=4 309 B11R2.20 C1=CC2=C(C=C1)CCCC2 SBB060619 [1,0,0,1,0,0|1,0,0]=3 310 B11R2.20 C1=CC2=C(C=C1)CNCC2 SBB027303 [1,0,0,1,0,0|0,0,0]=2 311 B11R2.20 C1=CC=C2NCCCC2=C1 SBB040463 [1,0,0,1,0,0|2,0,0]=4 312 B11R2.988 N#CC1CC2=CC=CC=C21 SBB056297 [1,0,0,1,0,0|2,0,0]=4 313 B13R2.13 CC1=CC(C2CCCN2)=CC=C1 SBB025072 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 SBB012996 [0,1,0,1,0,0|1,0,0]=3 315 B13R2.13 NC1=CC=CC(N2CCCC2)=C1 SBB010438 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.342 NC1CCOC2=C(F)C=CC=C21 SBB052087 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.4857 CN1N=C(N)C2=CC=CC(F)=C21 SBB087901 [0,1,0,1,0,0|1,0,1]=4 318 B13R2.5187 CN1N=C(N)C2=CC(F)=CC=C21 SBB087902 [0,1,0,1,0,0|1,0,1]=4 319 B13R2.5331 FC1=CC=CC(CNC2CC2)=C1 SBB109029 [0,1,0,1,0,0|1,0,0]=3 320 B13R2.5190 CN1C(=O)CC2=CC(Br)=CC=C21 SBB006876 [0,1,0,1,0,0|0,1,1]=4 321 B13R2.3683 CC1CCC2=CC(F)=CC=C2N1 SBB054591 [0,1,0,1,0,0|1,0,0]=3 322 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 SBB054597 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 SBB056305 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.57 CCC1=CC2=C(C=C1)CCCC2 SBB061515 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.57 COC1=CC2=C(C=C1)CNCC2 SBB019152 [0,1,0,1,0,0|1,0,0]=3 326 B13R2.2038 COC1=CC(CC2CO2)=CC=C1 SBB014817 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.2130 CN1CCC2=C1C=CC(C=O)=C2 SBB014780 [0,1,0,1,0,0|1,0,0]=3 328 B13R2.369 OC1=C(O)C=C2CNCCC2=C1 SBB000855 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [1,0,0,0,1,0|2,0,0]=4 330 B9R1.7 CNCC1=CC=C(C)O1 SBB085300 [1,0,0,0,1,0|2,0,0]=4 331 B9R1.7 CNCC1=CC=C(C)S1 SBB052471 [1,0,0,0,1,0|2,0,0]=4 332 B9R1.33 CNCC1=C(C)C=CS1 SBB010286 [1,0,0,0,1,0|2,0,0]=4 333 B9R1.33 CNCC1=CC=CN1C SBB010236 [1,0,0,0,1,0|2,0,0]=4 334 B9R1.12 CNCCC1=CNN=C1 SBB025640 [1,0,0,0,1,0|2,0,0]=4