0 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 M52551 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 C51530 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.286 O=CC1=C(Cl)C=CC(CCO)=C1 C63114 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.189 C=CCC1=CC=CC(OC)=C1 M52782 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 CNCC1=CC=CC(OC)=C1 M50357 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.189 COC1=CC(CC#N)=CC=C1 M22153 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.189 COC1=CC(CCN)=CC=C1 M52171 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.189 COC1=CC(CCN)=CC=C1 M67069 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.189 COC1=CC(CCO)=CC=C1 M50285 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.189 COC1=CC(CNN)=CC=C1 M0100 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.189 N#CC1=CC=CC(CCO)=C1 H38259 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.189 NCC1=CC=CC(CCO)=C1 A32377 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 B49701 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 B50152 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 B48302 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 D49146 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 C49151 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 B48071 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 B38611 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.280 COC1=C(Br)C=CC(CO)=C1 B49380 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.280 COC1=C(C)C=CC(C#N)=C1 M51762 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.280 COC1=C(C)C=CC(C=O)=C1 M49889 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 C48599 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 B49133 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 C49387 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.280 COC1=C(F)C=CC(C#N)=C1 F48103 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.280 COC1=C(F)C=CC(C=O)=C1 F18436 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.280 COC1=C(F)C=CC(CBr)=C1 B49142 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.280 COC1=C(N)C=CC(C#N)=C1 A48802 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.280 COC1=C(N)C=CC(CO)=C1 A46925 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.280 COC1=C(O)C=CC(C#N)=C1 H61784 [1,0,0,0,0,0|0,0,2]=3 33 B11R1.280 COC1=C(O)C=CC(CN)=C1 A68828 [1,0,0,0,0,0|0,0,0]=1 34 B11R1.280 COC1=CC(C=O)=C(O)C=C1 H67408 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.280 COC1=CC(OC)=C(Br)C=C1 D3157 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.280 COC1=CC(OC)=C(Br)C=N1 B64849 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.280 COC1=CC(OC)=C([Mg+])C=C1 D31787 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.280 COC1=CC(OC)=NC=C1N D63588 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.280 COC1=CC=C(N)C(OC)=N1 A22799 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.280 COC1=NC(OC)=C(Br)C=C1 B46125 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.280 CSC1=CC(C=O)=C(O)C=C1 H49089 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.280 N#CC1=C(F)C=CC(CN)=C1 A49599 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.280 O=CC1=C(O)C=CC(CO)=C1 H63819 [1,0,0,0,0,0|3,0,0]=4 45 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 H52846 [0,1,0,0,0,0|1,0,1]=3 46 B13R1.49 COC1=C(F)C=CC(C(=O)CBr)=C1 B51591 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 F51997 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 M53149 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 D60599 [0,1,0,0,0,0|0,0,2]=3 50 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 D53095 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.387 CCCC1=CC(C(C)=O)=C(O)C=C1 H27974 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.575 CCOCC1=CC(OC)=C(O)C=C1 E53096 [0,1,0,0,0,0|1,0,0]=2 53 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 B52668 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.449 ClCCC1=CC2=C(C=C1)OC=C2 C65547 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 C66172 [0,0,0,1,0,0|2,0,0]=3 56 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 B61138 [0,0,0,1,0,0|0,0,2]=3 57 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 M69505 [0,0,0,1,0,0|0,0,0]=1 58 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 B29489 [0,0,0,1,0,0|1,0,2]=4 59 B13R2.599 COC1=C(Br)C=C2NN=CC2=C1 B10490 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.599 COC1=C(Cl)C=C2NN=CC2=C1 C15385 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 F11096 [0,0,0,1,0,0|1,0,2]=4 62 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [2,0,0,0,0,0|0,0,2]=4 64 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [2,0,0,0,0,0|0,0,2]=4 68 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [2,0,0,0,0,0|0,0,0]=2 75 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.172 C#CC1=CC=CC(CN)=C1 E39003 [2,0,0,0,0,0|1,0,1]=4 84 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [2,0,0,0,0,0|0,0,2]=4 85 B10R1.172 CCC1=CC=CC(C#N)=C1 E38775 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.172 CCC1=CC=CC(CC)=N1 D50308 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.172 CCC1=CC=CC(NC)=N1 E46969 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.172 CNC1=CC=CC(OC)=N1 M43638 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [2,0,0,0,0,0|0,0,2]=4 91 B10R1.172 COC1=CC(CCl)=NC=C1 C46205 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [2,0,0,0,0,0|0,0,0]=2 93 B10R1.172 COC1=CC(CN)=NC=C1 M36712 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.172 COC1=CC(CN)=NC=C1 M46591 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.172 COC1=CC(CO)=NC=C1 M38100 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.172 COC1=CC(OC)=NC=C1 D46390 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.172 COC1=CC=CC(CBr)=N1 B46166 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.172 COC1=CC=CC(CCl)=N1 C46206 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.172 COC1=CC=CC(OC)=N1 D39418 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.172 COC1=CN=CC(CN)=C1 M11309 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.172 COC1=CN=CC(OC)=C1 D28467 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.172 COC1=NC(CN)=CC=C1 M46592 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.172 COC1=NC(CN)=CC=N1 M43577 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.172 COC1=NC(CN)=NC=C1 M27520 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.172 COC1=NC=CC(CN)=C1 M0578 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.172 COC1=NC=CC(CO)=C1 M0582 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.172 N#CC1=CC(CN)=CC=C1 A37624 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.172 NCC1=CC=CC(CO)=C1 A46908 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [2,0,0,0,0,0|0,0,2]=4 127 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [2,0,0,0,0,0|1,0,0]=3 128 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [2,0,0,0,0,0|1,0,0]=3 129 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [2,0,0,0,0,0|1,0,0]=3 138 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 B48757 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.176 CC1=C(C)C=C(NN)C=C1 D39524 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 C46749 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.176 CC1=C(F)C=CC(CN)=C1 F46767 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [2,0,0,0,0,0|0,0,2]=4 151 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [2,0,0,0,0,0|1,0,1]=4 152 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [2,0,0,0,0,0|1,0,0]=3 153 B10R1.176 CCC1=CC(Br)=C(O)C=C1 B49424 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.176 CCC1=CC(F)=C(N)C=C1 E46758 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.176 CCC1=CC(N)=C(N)C=C1 E49664 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.176 CN1C=C(CN)C=CC1=O A12261 [2,0,0,0,0,0|1,0,1]=4 160 B10R1.176 CN1C=C(CN)C=CC1=O A31857 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.176 COC1=CC(Br)=C(O)C=C1 B38008 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.176 COC1=CC(C)=C(Br)C=C1 B49437 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.176 COC1=CC(C)=C(F)C=C1 F49456 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [2,0,0,0,0,0|1,0,0]=3 165 B10R1.176 COC1=CC(C)=C([Mg+])C=C1 M31768 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.176 COC1=CC(Cl)=C(O)C=C1 C45910 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.176 COC1=CC(N)=C(O)C=C1 A46393 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.176 COC1=CC(O)=C(Br)C=C1 B45898 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.176 COC1=CC(O)=C(I)C=C1 K45922 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.176 COC1=CC(O)=C(N)C=C1 A46394 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.176 COC1=CC(O)=C(N)C=C1 A46576 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [2,0,0,0,0,0|0,0,2]=4 174 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.176 NCC1=CC(Cl)=C(Br)C=C1 B45768 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 D45785 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 C45798 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.176 NCC1=CC(F)=C(Br)C=C1 B37399 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 C45803 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.176 OCC1=CC(O)=C(Br)C=C1 B45903 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.176 OCC1=CC(O)=C(F)C=C1 F45920 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.176 OCC1=CC(O)=C(I)C=C1 H45924 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.30 CC1=CC(C#N)=C(O)C=C1 H63627 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.30 CC1=CC(C=O)=C(O)C=C1 H49070 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.30 CNC1=C(N)C=CC(C)=C1 D46972 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.30 COC1=C(Br)C=CC(N)=N1 B17534 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.30 COC1=C(Br)C=NC(C)=C1 B46174 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.30 COC1=C(Br)C=NC(N)=C1 B17813 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [2,0,0,0,0,0|1,0,0]=3 200 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [2,0,0,0,0,0|1,0,0]=3 201 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [2,0,0,0,0,0|1,0,0]=3 206 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [2,0,0,0,0,0|1,0,0]=3 211 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [2,0,0,0,0,0|1,0,0]=3 222 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [2,0,0,0,0,0|0,0,0]=2 224 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [2,0,0,0,0,0|1,0,0]=3 225 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [2,0,0,0,0,0|1,0,0]=3 226 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [2,0,0,0,0,0|0,0,0]=2 227 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.30 COC1=CC(N)=CN=C1Br B37681 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.30 COC1=CC(N)=CN=C1Cl C25246 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.30 COC1=NC(C)=CC=C1N A67537 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.30 N#CC1=C(O)C=CC(N)=C1 A45221 [2,0,0,0,0,0|2,0,0]=4 232 B12R1.41 COC1=CC(CC#N)=CC(F)=C1 F69202 [1,1,0,0,0,0|0,0,2]=4 233 B12R1.41 COC1=CC(N)=CC(CCO)=C1 A65459 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.270 COC1=CC(CC#N)=C(Br)C=C1 B51517 [1,1,0,0,0,0|0,0,2]=4 235 B12R1.270 COC1=CC(CCO)=C(Br)C=C1 B50123 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.382 CCNCC1=CC=CC(OC)=C1 M53138 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 M52788 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.435 CC[C@@H](N)C1=CC=CC(OC)=C1 M54197 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A37413 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A52184 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 B38521 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.435 COC1=NC=CC([C@@H](N)CO)=C1 A49671 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.435 COC1=NC=CC([C@H](N)CO)=C1 A49673 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.435 CSC1=CC([C@H](N)CO)=CC=C1 A52187 [1,1,0,0,0,0|1,1,0]=4 245 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 M46874 [1,1,0,0,0,0|1,0,1]=4 246 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.288 COC1=C(F)C=C(CCO)C=C1 F50130 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.288 COC1=C(O)C=C(CCN)C=C1 A69548 [1,1,0,0,0,0|0,0,0]=2 250 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 C39498 [1,1,0,0,0,0|1,0,1]=4 251 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 H50365 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.56 CC(C)C1=CC(C=O)=C(O)C=C1 H64032 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.56 COC1=C(F)C=CC([C@@H](C)N)=C1 F52153 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 F52156 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 K53021 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 H46448 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [1,1,0,0,0,0|0,0,2]=4 259 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [1,1,0,0,0,0|0,0,0]=2 260 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [1,1,0,0,0,0|0,0,2]=4 261 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.78 COC1=CC(OC)=C(CN)C=C1 D37838 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.78 COC1=CC=C(CN)N=C1OC D29503 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 H15564 [1,1,0,0,0,0|0,0,2]=4 267 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 D61559 [1,1,0,0,0,0|1,0,1]=4 268 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O B67398 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.300 COC1=CC(C=O)=CC(F)=C1O F48688 [1,1,0,0,0,0|1,0,1]=4 270 B12R1.300 COC1=CC(Cl)=C(N)C(OC)=C1 C46780 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.300 COC1=CC(OC)=C(Cl)C(N)=C1 C46779 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O B48649 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.449 COC1=CC(OC)=C(Br)C=C1Br D49081 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 H49921 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.654 CCC1=C(N)C(CC)=C(Cl)C=C1 C53067 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C64134 [1,1,0,0,0,0|1,0,1]=4 277 B14R1.1864 CCC(=O)C1=CC(OC)=C(OC)C=C1 D54796 [0,2,0,0,0,0|1,0,1]=4 278 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 D0755 [0,2,0,0,0,0|1,0,1]=4 279 B14R1.3412 COC1=C(O)C=CC(OC(F)(F)F)=C1 M63665 [0,2,0,0,0,0|2,0,0]=4 280 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 D65815 [0,2,0,0,0,0|0,0,1]=3 281 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 D65019 [0,2,0,0,0,0|0,0,1]=3 282 B14R1.492 CCOC1=CC(OC)=C(B(O)O)C=C1 E50392 [0,2,0,0,0,0|2,0,0]=4 283 B12R2.44 COC1=CC2=C(C=C1)CCN2 M52102 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.44 COC1=CC2=C(C=C1)CNC2 M52106 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.44 COC1=CC2=C(C=C1)NC=N2 M48805 [1,0,0,1,0,0|1,0,1]=4 286 B12R2.44 COC1=CC2=C(C=C1)NCC2 M22375 [1,0,0,1,0,0|0,0,0]=2 287 B12R2.44 COC1=CC2=C(C=C1)NCC2 M52101 [1,0,0,1,0,0|0,0,0]=2 288 B12R2.44 COC1=CC2=C(C=C1)NN=C2 M7598 [1,0,0,1,0,0|1,0,1]=4 289 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [1,0,0,1,0,0|1,0,1]=4 290 B12R2.315 COC1=C2CNCC2=CC=C1 M52105 [1,0,0,1,0,0|2,0,0]=4 291 B12R2.315 COC1=C2NC=CC2=CC=C1 M2324 [1,0,0,1,0,0|0,0,2]=4 292 B12R2.315 COC1=C2NC=NC2=CC=C1 M48806 [1,0,0,1,0,0|1,0,1]=4 293 B12R2.315 COC1=C2NN=CC2=CC=C1 M12706 [1,0,0,1,0,0|1,0,1]=4 294 B12R2.315 N#CC1=C2NCCC2=CC=C1 K5777 [1,0,0,1,0,0|2,0,0]=4 295 B12R2.100 CC1=C(O)C=C2NN=CC2=C1 M16451 [1,0,0,1,0,0|1,0,1]=4 296 B12R2.100 FC1=C(Br)C=C2CCNC2=C1 B48426 [1,0,0,1,0,0|2,0,0]=4 297 B12R2.100 FC1=C(F)C=C2NCCC2=C1 D48433 [1,0,0,1,0,0|2,0,0]=4 298 B12R2.100 OC1=C(Br)C=C2CCCC2=C1 B52031 [1,0,0,1,0,0|2,0,0]=4 299 B12R2.100 OC1=C(O)C=C2NC=CC2=C1 D69163 [1,0,0,1,0,0|0,0,2]=4 300 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 B67866 [0,1,0,1,0,0|1,0,1]=4 301 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 D52936 [0,1,0,1,0,0|0,0,0]=2 302 B14R2.82 COC1=C(OC)C=C2NN=CC2=C1 D25346 [0,1,0,1,0,0|1,0,1]=4 303 B14R2.991 COCOC1=CC2=C(C=C1)OCO2 M66809 [0,1,0,1,0,0|2,0,0]=4 304 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 B52125 [0,1,0,1,0,0|1,0,0]=3 305 B14R2.1128 COC1=C(O)C=C2C=NCCC2=C1 H52574 [0,1,0,1,0,0|0,0,1]=3 306 B14R2.1416 COC1=C(F)C=C2C(=O)CCC2=C1 F54005 [0,1,0,1,0,0|2,0,0]=4 307 B14R3.3046 C1=CC2=C(OCO2)C3=C1CNC3 D52239 [0,0,0,2,0,0|2,0,0]=4 308 B14R3.3022 C1=C2CCOC2=CC3=C1OCC3 T52440 [0,0,0,2,0,0|2,0,0]=4