0 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 M53149 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 D60599 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 D53095 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [1,0,0,0,0,0|0,0,0]=1 4 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [1,0,0,0,0,0|0,0,1]=2 5 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [1,0,0,0,0,0|1,0,1]=3 6 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.78 COC1=CC=C(CN)N=C1OC D29503 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 M52551 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 C51530 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 B62199 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 F51535 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.288 COC1=C(F)C=C(CCO)C=C1 F50130 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.288 COC1=C(O)C=C(CCN)C=C1 A69548 [1,0,0,0,0,0|1,0,1]=3 16 B14R1.1864 CCC(=O)C1=CC(OC)=C(OC)C=C1 D54796 [0,1,0,0,0,0|0,0,3]=4 17 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 M52852 [0,1,0,0,0,0|1,0,2]=4 18 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 D0755 [0,1,0,0,0,0|1,0,2]=4 19 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 D65815 [0,1,0,0,0,0|1,0,0]=2 20 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 D65019 [0,1,0,0,0,0|1,0,0]=2 21 B14R1.6787 CCOC1=C(OC)C=CC(\C=N\O)=C1 E69847 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 D52936 [0,0,0,1,0,0|1,0,1]=3 23 B14R2.82 COC1=C(OC)C=C2NN=CC2=C1 D25346 [0,0,0,1,0,0|2,0,0]=3 24 B14R2.82 COC1=CC2=C(C=C1OC)SC=N2 D51813 [0,0,0,1,0,0|2,0,0]=3 25 B14R2.112 ON=CC1=CC2=C(C=C1)OCCO2 D51826 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 B50154 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.37 COC1=C(C#N)C=C(C)C=C1 M24107 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.37 COC1=C(C#N)C=CC(C)=C1 M51760 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.37 COC1=C(C=O)C=C(C)C=C1 M65814 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.37 COC1=C(C=O)C=CC(C)=C1 M49887 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.37 COC1=C(OC)C=C(Br)C=C1 B39520 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.37 COC1=C(OC)C=C(F)C=C1 F49393 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.37 COC1=C(OC)C=C(I)C=C1 K49399 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.37 COC1=C(OC)C=C(N)C=C1 D39436 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.37 COC1=C(OC)C=C([Mg+])C=C1 D31789 [2,0,0,0,0,0|1,0,0]=3 36 B11R1.37 COC1=C(OC)N=C(I)C=C1 K62513 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.37 COC1=CC(Br)=CN=C1OC B46127 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.37 COC1=CC=C(N)N=C1OC D43649 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B2967 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.279 COC1=C(Br)C=C(CO)C=C1 B49379 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.279 COC1=C(C)C=C(C#N)C=C1 M63445 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.279 COC1=C(C)C=C(C=O)C=C1 M49891 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 C67645 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B49134 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 C46806 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.279 COC1=C(F)C=C(C=O)C=C1 F48620 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.279 COC1=C(F)C=C(CBr)C=C1 B2649 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.279 COC1=C(F)C=C(CN)C=C1 F46816 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.279 COC1=C(I)C=C(C=O)C=C1 K48635 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.279 COC1=C(N)C=C(C=O)C=C1 A49285 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.279 COC1=C(N)C=C(CO)C=C1 A37036 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.279 COC1=C(O)C=C(C#N)C=C1 H67534 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [2,0,0,0,0,0|1,0,1]=4 57 B11R1.279 COC1=CC(O)=C(OC)C=C1 D46841 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 B38611 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.280 COC1=C(Br)C=CC(CO)=C1 B49380 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.280 COC1=C(C)C=CC(C#N)=C1 M51762 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.280 COC1=C(C)C=CC(C=O)=C1 M49889 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 C48599 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 B49133 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 C49387 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.280 COC1=C(F)C=CC(C=O)=C1 F18436 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.280 COC1=C(F)C=CC(CBr)=C1 B49142 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.280 COC1=C(N)C=CC(CO)=C1 A46925 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.280 COC1=C(O)C=CC(C#N)=C1 H61784 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.280 COC1=C(O)C=CC(CN)=C1 A68828 [2,0,0,0,0,0|1,0,0]=3 70 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [2,0,0,0,0,0|1,0,1]=4 71 B11R1.189 C=CCC1=CC=CC(OC)=C1 M52782 [2,0,0,0,0,0|0,0,0]=2 72 B11R1.189 CNCC1=CC=CC(OC)=C1 M50357 [2,0,0,0,0,0|1,0,1]=4 73 B11R1.189 COC1=CC(CC#N)=CC=C1 M22153 [2,0,0,0,0,0|1,0,1]=4 74 B11R1.189 COC1=CC(CCN)=CC=C1 M52171 [2,0,0,0,0,0|1,0,1]=4 75 B11R1.189 COC1=CC(CCN)=CC=C1 M67069 [2,0,0,0,0,0|1,0,1]=4 76 B11R1.189 COC1=CC(CCO)=CC=C1 M50285 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.189 COC1=CC(CNN)=CC=C1 M0100 [2,0,0,0,0,0|2,0,0]=4 78 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [2,0,0,0,0,0|1,0,1]=4 79 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [2,0,0,0,0,0|1,0,1]=4 80 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [2,0,0,0,0,0|1,0,1]=4 81 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [2,0,0,0,0,0|1,0,1]=4 82 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [2,0,0,0,0,0|1,0,1]=4 83 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [2,0,0,0,0,0|1,0,0]=3 84 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [2,0,0,0,0,0|1,0,1]=4 85 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [2,0,0,0,0,0|1,0,1]=4 86 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [2,0,0,0,0,0|2,0,0]=4 91 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 E52560 [1,1,0,0,0,0|1,0,1]=4 92 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 E66599 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.434 COC1=CC(C=O)=CC(Br)=C1OC B61946 [1,1,0,0,0,0|1,0,0]=3 94 B13R1.434 COC1=CC(C=O)=CC(I)=C1OC K52004 [1,1,0,0,0,0|1,0,0]=3 95 B13R1.2200 COC1=C(OC)C=C(C#N)C(N)=C1 A68986 [1,1,0,0,0,0|1,0,1]=4 96 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC B39581 [1,1,0,0,0,0|1,0,0]=3 97 B13R1.2200 COC1=CC(OC)=C(OC)C=C1N T50375 [1,1,0,0,0,0|1,0,1]=4 98 B13R1.2422 COC1=CC=C(C=O)C(Cl)=C1OC C51985 [1,1,0,0,0,0|1,0,0]=3 99 B13R1.2422 COC1=CC=C(C=O)C(F)=C1OC F51995 [1,1,0,0,0,0|1,0,0]=3 100 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 D2780 [1,1,0,0,0,0|2,0,0]=4 101 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 D67685 [1,1,0,0,0,0|0,0,1]=3 102 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D53151 [1,1,0,0,0,0|0,0,1]=3 103 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D54200 [1,1,0,0,0,0|0,0,1]=3 104 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 D49347 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 F51997 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.575 CCOCC1=CC(OC)=C(O)C=C1 E53096 [1,1,0,0,0,0|0,0,2]=4 107 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 M54771 [1,1,0,0,0,0|0,0,1]=3 108 B13R1.35 COC1=C(F)C=C(CC(=O)O)C=C1 F51996 [1,1,0,0,0,0|2,0,0]=4 109 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 H67465 [1,1,0,0,0,0|1,0,0]=3 110 B13R1.388 C\C=C\C1=CC(O)=C(OCC)C=C1 E68984 [1,1,0,0,0,0|0,0,2]=4 111 B13R1.577 COC1=C(O)C=C(C=CCO)C=C1 H52849 [1,1,0,0,0,0|0,0,2]=4 112 B15R1.3769 COC(=O)CC1=CC(OC)=C(OC)C=C1 M54810 [0,2,0,0,0,0|0,0,1]=3 113 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 D39655 [0,2,0,0,0,0|0,0,1]=3 114 B15R1.7680 CCOC1=C(OC)C=CC([C@H](N)CO)=C1 A54995 [0,2,0,0,0,0|1,0,1]=4 115 B15R1.3705 COC1=CC(CC#N)=CC(OC)=C1OC T54652 [0,2,0,0,0,0|1,0,1]=4 116 B15R1.9548 CCOC1=C(OC)C=C(CC(=O)O)C=C1 E54806 [0,2,0,0,0,0|1,0,0]=3 117 B15R1.594 COC1=C(OC(C)C)C=CC(CC#N)=C1 P55980 [0,2,0,0,0,0|1,0,1]=4 118 B13R2.57 BrCC1=CC2=C(C=C1)OCCO2 B51912 [1,0,0,1,0,0|1,0,0]=3 119 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 C52424 [1,0,0,1,0,0|2,0,0]=4 120 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 D22898 [1,0,0,1,0,0|1,0,0]=3 121 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 D64008 [1,0,0,1,0,0|2,0,0]=4 122 B13R2.57 O=CC1=NC=C2OCCOC2=C1 D48507 [1,0,0,1,0,0|2,0,0]=4 123 B13R2.57 OCC1=CC2=C(C=C1)OCCO2 D49934 [1,0,0,1,0,0|1,0,0]=3 124 B13R2.57 OCC1=CC=C2OCCOC2=N1 D49342 [1,0,0,1,0,0|2,0,0]=4 125 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 B61138 [1,0,0,1,0,0|1,0,1]=4 126 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 M69505 [1,0,0,1,0,0|1,0,1]=4 127 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 M16386 [1,0,0,1,0,0|1,0,0]=3 128 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 F17561 [1,0,0,1,0,0|2,0,0]=4 129 B13R2.84 COC1=C(Br)C2=C(C=C1)NC=C2 B29992 [1,0,0,1,0,0|2,0,0]=4 130 B13R2.84 COC1=C(O)C2=C(C=C1)NC=C2 M51771 [1,0,0,1,0,0|1,0,0]=3 131 B15R2.117 COC1=C(OC)C=C2CCN=CC2=C1 D55462 [0,1,0,1,0,0|0,0,1]=3 132 B15R2.117 COC1=C(OC)C=C2CNCCC2=C1 D55510 [0,1,0,1,0,0|0,0,2]=4 133 B15R2.117 COC1=C(OC)C=C2CNCCC2=C1 D67738 [0,1,0,1,0,0|0,0,2]=4 134 B15R2.117 COC1=CC2=CC=CC=C2C=C1OC D55763 [0,1,0,1,0,0|0,0,1]=3 135 B15R2.3136 COC1=CC=C2COC(=O)C2=C1OC D60934 [0,1,0,1,0,0|1,0,0]=3 136 B15R2.20737 COC1=C(OC)C=C2C(=C1)C[C@@H]2C#N D54421 [0,1,0,1,0,0|0,0,2]=4 137 B15R2.20737 COC1=C(OC)C=C2C(=C1)C[C@@H]2CN D55513 [0,1,0,1,0,0|0,0,2]=4 138 B15R2.21574 COC1=CC2=C(C=C1OC)C(=O)CC2 D64935 [0,1,0,1,0,0|0,0,1]=3 139 B15R2.21574 COC1=CC2=C(C=C1OC)C(=O)NC2 D38237 [0,1,0,1,0,0|1,0,0]=3 140 B15R2.21574 COC1=CC2=C(C=C1OC)C(=O)OC2 D52481 [0,1,0,1,0,0|1,0,0]=3 141 B15R2.22325 COC1=C(OC)C2=C(C=C1)[C@@H](N)CC2 D62355 [0,1,0,1,0,0|0,0,2]=4 142 B15R2.22325 COC1=C(OC)C2=C(C=C1)[C@H](N)CC2 D62356 [0,1,0,1,0,0|0,0,2]=4 143 B15R2.2035 COC1=CC2=C(C=C1OC)SC(N)=N2 D49737 [0,1,0,1,0,0|2,0,0]=4 144 B13R1.358 COC1=CC(CC#N)=CC(OC)=C1 D52566 [0,0,0,0,1,1|1,0,1]=4 145 B13R1.358 COC1=CC(CCN)=CC(OC)=C1 D53148 [0,0,0,0,1,1|1,0,1]=4 146 B13R1.3911 CNCC1=CC=CC(OC)=C1OC D54203 [0,0,0,0,1,1|1,0,1]=4