0 B11R1.280 CCC1=C(Br)C=CC(C#N)=C1 B51449 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 CCC1=C(F)C=CC(C#N)=C1 E51459 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 A49710 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 B48071 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 B38611 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.280 COC1=C(Br)C=CC(CO)=C1 B49380 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.280 COC1=C(C)C=CC(C#N)=C1 M51762 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.280 COC1=C(C)C=CC(C=O)=C1 M49889 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 C48599 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 B49133 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 C49387 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.280 COC1=C(F)C=CC(C#N)=C1 F48103 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.280 COC1=C(F)C=CC(C=O)=C1 F18436 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.280 COC1=C(F)C=CC(CBr)=C1 B49142 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.280 COC1=C(N)C=CC(C#N)=C1 A48802 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.280 COC1=C(N)C=CC(CO)=C1 A46925 [0,0,0,0,0,0|1,0,2]=3 16 B11R1.280 COC1=C(N)N=CC(C#N)=C1 A45735 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.280 COC1=C(O)C=CC(C#N)=C1 H61784 [0,0,0,0,0,0|1,0,1]=2 18 B11R1.280 COC1=C(O)C=CC(CN)=C1 A68828 [0,0,0,0,0,0|1,0,1]=2 19 B11R1.280 COC1=CC(C#N)=CN=C1Cl C44836 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.280 COC1=CC(C=O)=C(O)C=C1 H67408 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.280 COC1=CC(OC)=C(Br)C=C1 D3157 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.280 COC1=CC(OC)=C(Br)C=N1 B64849 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.280 COC1=CC(OC)=C([Mg+])C=C1 D31787 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.280 COC1=CC(OC)=NC=C1N D63588 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.280 COC1=CC=C(N)C(OC)=N1 A22799 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.280 COC1=NC(OC)=C(Br)C=C1 B46125 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.280 CSC1=CC(C=O)=C(O)C=C1 H49089 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 B37288 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 C37093 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 F47447 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 F47715 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.280 N#CC1=CC(C#N)=C(O)C=C1 H47349 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.280 N#CC1=CC(C=O)=C(O)C=C1 F47714 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.280 O=CC1=C(O)C=CC(CO)=C1 H63819 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.30 CC1=CC(C#N)=C(O)C=C1 H63627 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.30 CC1=CC(C=O)=C(O)C=C1 H49070 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.30 CCC1=C(F)C=CC(Br)=C1 B48764 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.30 CCC1=C(N)C=CC(Br)=C1 B66403 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.30 CCC1=C(N)C=CC(Cl)=C1 C46752 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.30 CNC1=C(C)C=CC(O)=C1 M46910 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.30 CNC1=C(N)C=CC(Br)=C1 B46288 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.30 CNC1=C(N)C=CC(C)=C1 D46972 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C46304 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 B42644 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.30 COC1=C(Br)C=CC(N)=N1 B17534 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.30 COC1=C(Br)C=NC(C)=C1 B46174 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.30 COC1=C(Br)C=NC(Cl)=C1 B42647 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.30 COC1=C(Br)C=NC(N)=C1 B17813 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.30 COC1=C(F)C=CC(Cl)=N1 C32280 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.30 COC1=C(I)C=NC(Cl)=C1 C42674 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.30 COC1=C(N)C=CC(Br)=N1 B3763 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [1,0,0,0,0,0|1,0,1]=3 81 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [1,0,0,0,0,0|0,0,1]=2 88 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.30 COC1=CC(Br)=CN=C1C B16799 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.30 COC1=CC(Br)=CN=C1Cl B9982 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.30 COC1=CC(Br)=CN=C1N B23636 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.30 COC1=CC(Br)=CNC1=O B32141 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.30 COC1=CC(Br)=NC=C1Br D42630 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.30 COC1=CC(Br)=NC=C1C B46167 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.30 COC1=CC(Br)=NC=C1N B37656 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.30 COC1=CC(Cl)=NC=C1Cl D16638 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.30 COC1=CC(Cl)=NC=C1N C32017 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.30 COC1=CC(F)=CN=C1N F43083 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.30 COC1=CC(N)=CN=C1Br B37681 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.30 COC1=CC(N)=CN=C1Cl C25246 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.30 COC1=CC(O)=CN=C1Cl C12083 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.30 COC1=NC(C)=CC=C1N A67537 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.30 CSC1=C(N)C=CC(Br)=C1 B69348 [1,0,0,0,0,0|2,1,0]=4 107 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 B67895 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.30 N#CC1=C(O)C=CC(Cl)=C1 C44536 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.30 N#CC1=C(O)C=CC(F)=C1 F44550 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.30 N#CC1=C(O)C=CC(N)=C1 A45221 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.30 NCC1=C(O)C=CC(Br)=C1 A46182 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 C67854 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.30 O=CC1=C(O)C=CC(F)=C1 F67833 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.30 O=CC1=C(O)C=CC(I)=C1 H45105 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.30 O=CC1=C(O)C=CC(O)=C1 D60796 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.30 OCC1=C(O)C=CC(Br)=C1 B68796 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.172 C#CC1=CC=CC(C=O)=C1 E50961 [1,0,0,0,0,0|1,0,1]=3 118 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [1,0,0,0,0,0|1,0,1]=3 119 B10R1.172 CCC1=CC=CC(C#N)=C1 E38775 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.172 CNC1=CC=CC(C#N)=C1 M48778 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.172 CNC1=CC=CC(OC)=N1 M43638 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.172 CNC1=NC=CC(C=O)=N1 M64957 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [1,0,0,0,0,0|1,0,1]=3 126 B10R1.172 COC1=CC(C#N)=NC=C1 M9468 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [1,0,0,0,0,0|1,0,0]=2 128 B10R1.172 COC1=CC(C=O)=NC=C1 M38180 [1,0,0,0,0,0|1,0,0]=2 129 B10R1.172 COC1=CC(CCl)=NC=C1 C46205 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [1,0,0,0,0,0|1,0,1]=3 131 B10R1.172 COC1=CC(CN)=NC=C1 M36712 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.172 COC1=CC(CN)=NC=C1 M46591 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [1,0,0,0,0,0|0,0,2]=3 134 B10R1.172 COC1=CC(CO)=NC=C1 M38100 [1,0,0,0,0,0|1,0,2]=4 135 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.172 COC1=CC(OC)=NC=C1 D46390 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [1,0,0,0,0,0|0,0,0]=1 138 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [1,0,0,0,0,0|1,0,0]=2 139 B10R1.172 COC1=CC=CC(CBr)=N1 B46166 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [1,0,0,0,0,0|1,0,1]=3 141 B10R1.172 COC1=CC=CC(CCl)=N1 C46206 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.172 COC1=CC=CC(OC)=N1 D39418 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.172 COC1=CN=CC(C#N)=C1 M45213 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.172 COC1=CN=CC(CN)=C1 M11309 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [1,0,0,0,0,0|1,0,2]=4 146 B10R1.172 COC1=CN=CC(OC)=C1 D28467 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.172 COC1=NC(C#N)=CC=C1 M9383 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.172 COC1=NC(CN)=CC=C1 M46592 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [1,0,0,0,0,0|1,0,2]=4 150 B10R1.172 COC1=NC=CC(C#N)=C1 C12714 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [1,0,0,0,0,0|1,0,0]=2 152 B10R1.172 COC1=NC=CC(C=O)=N1 M67794 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.172 COC1=NC=CC(CN)=C1 M0578 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.172 COC1=NC=CC(CO)=C1 M0582 [1,0,0,0,0,0|1,0,2]=4 155 B10R1.172 CSC1=NC(C=O)=CC=N1 M14445 [1,0,0,0,0,0|2,1,0]=4 156 B10R1.172 N#CC1=CC(C=O)=CN=C1 F24986 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.172 N#CC1=CC(C=O)=NC=C1 F32149 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.172 N#CC1=CC=CC(C=O)=C1 C47711 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.172 N#CC1=CC=CC(C=O)=N1 F25689 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.172 O=CC1=CC=CC(C=O)=N1 P32211 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.172 O=CC1=CC=CC(CBr)=C1 B48710 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.172 O=CC1=CC=CC(CF)=N1 F45495 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 C60746 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 B48714 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 B45472 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.176 CC1=C(Br)C=CC(C#N)=C1 B47951 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 B48717 [1,0,0,0,0,0|1,0,0]=2 169 B10R1.176 CC1=C(Br)C=CC(C=O)=N1 B19216 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 B48757 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [1,0,0,0,0,0|1,0,2]=4 172 B10R1.176 CC1=C(Br)C=NC(C=O)=C1 B45474 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.176 CC1=C(C)C=C(C#N)C=C1 D51674 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [1,0,0,0,0,0|1,0,2]=4 176 B10R1.176 CC1=C(C)C=C(NN)C=C1 D39524 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 C48728 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.176 CC1=C(Cl)C=CC(C#N)=C1 C47965 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 C48730 [1,0,0,0,0,0|1,0,0]=2 180 B10R1.176 CC1=C(F)C=CC(C#N)=C1 F47979 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.176 CC1=C(F)C=CC(C=O)=C1 F48742 [1,0,0,0,0,0|1,0,0]=2 182 B10R1.176 CC1=C(F)C=CC(C=O)=N1 F26082 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.176 CC1=C(F)C=CC(CN)=C1 F46767 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.176 CC1=C(N)C=CC(C#N)=C1 A48784 [1,0,0,0,0,0|2,0,1]=4 185 B10R1.176 CC1=C(O)C=C(C#N)C=C1 H48447 [1,0,0,0,0,0|2,0,1]=4 186 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [1,0,0,0,0,0|1,0,0]=2 187 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [1,0,0,0,0,0|1,0,1]=3 188 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [1,0,0,0,0,0|0,0,0]=1 189 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [1,0,0,0,0,0|0,0,2]=3 190 B10R1.176 CC1=C(O)C=NC(C#N)=C1 H63100 [1,0,0,0,0,0|2,0,1]=4 191 B10R1.176 CC1=CC(C=O)=CN=C1Br B45476 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.176 CCC1=CC(Br)=C(O)C=C1 B49424 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.176 CN1C=CC(C=O)=CC1=O M10303 [1,0,0,0,0,0|2,0,1]=4 197 B10R1.176 COC1=CC(Br)=C(O)C=C1 B38008 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.176 COC1=CC(C)=C(Br)C=C1 B49437 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.176 COC1=CC(C)=C(F)C=C1 F49456 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.176 COC1=CC(C)=C([Mg+])C=C1 M31768 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.176 COC1=CC(Cl)=C(O)C=C1 C45910 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.176 COC1=CC(N)=C(O)C=C1 A46393 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.176 COC1=CC(O)=C(Br)C=C1 B45898 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.176 COC1=CC(O)=C(I)C=C1 K45922 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.176 COC1=CC(O)=C(N)C=C1 A46394 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.176 COC1=CC(O)=C(N)C=C1 A46576 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 B44522 [1,0,0,0,0,0|2,0,1]=4 210 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 C22522 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.176 N#CC1=CC(F)=C(O)C=C1 F44546 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.176 N#CC1=CC(I)=C(O)C=C1 H44558 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.176 N#CC1=CC(N)=C(O)C=C1 A69485 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.176 N#CC1=CC(O)=C(Br)C=C1 B69537 [1,0,0,0,0,0|2,0,1]=4 215 B10R1.176 N#CC1=CC(O)=C(Cl)C=C1 C44535 [1,0,0,0,0,0|2,0,1]=4 216 B10R1.176 N#CC1=CC(O)=C(F)C=C1 F44549 [1,0,0,0,0,0|2,0,1]=4 217 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [1,0,0,0,0,0|1,0,1]=3 218 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [1,0,0,0,0,0|1,0,2]=4 219 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 D44634 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 B44639 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 B64545 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [1,0,0,0,0,0|1,0,0]=2 223 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 B44641 [1,0,0,0,0,0|2,0,0]=3 224 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 C69059 [1,0,0,0,0,0|2,0,0]=3 225 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [1,0,0,0,0,0|1,0,0]=2 226 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 C42251 [1,0,0,0,0,0|2,0,0]=3 227 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 B18680 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 C44666 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.176 O=CC1=CC(F)=C(F)C=C1 D39346 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.176 O=CC1=CC(F)=C(I)C=C1 F44687 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [1,0,0,0,0,0|1,0,0]=2 232 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 C44674 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [1,0,0,0,0,0|1,0,0]=2 234 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [1,0,0,0,0,0|1,0,0]=2 235 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [1,0,0,0,0,0|1,0,0]=2 236 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [1,0,0,0,0,0|1,0,0]=2 237 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 B41996 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 B37298 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 B41998 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 D42008 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [1,0,0,0,0,0|1,0,2]=4 242 B10R1.176 OCC1=CC(O)=C(Br)C=C1 B45903 [1,0,0,0,0,0|1,0,2]=4 243 B10R1.176 OCC1=CC(O)=C(F)C=C1 F45920 [1,0,0,0,0,0|1,0,2]=4 244 B10R1.176 OCC1=CC(O)=C(I)C=C1 H45924 [1,0,0,0,0,0|1,0,2]=4 245 B12R1.56 CC(=O)C1=CC(C#N)=C(Br)C=C1 A50919 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.56 CC(=O)C1=CC(C#N)=C(F)C=C1 A50949 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 A61403 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 A50043 [0,1,0,0,0,0|2,0,0]=3 249 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [0,1,0,0,0,0|1,0,0]=2 250 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 B37401 [0,1,0,0,0,0|2,0,0]=3 251 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 B45404 [0,1,0,0,0,0|2,0,0]=3 252 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 M46943 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [0,1,0,0,0,0|1,0,0]=2 254 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 M69040 [0,1,0,0,0,0|2,0,0]=3 255 B12R1.56 COC1=C(Cl)C=CC(B(O)O)=C1 C46262 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [0,1,0,0,0,0|1,0,0]=2 257 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 C45435 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 C45437 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.56 COC1=C(F)C=CC(B(O)O)=C1 F46263 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [0,1,0,0,0,0|1,0,0]=2 261 B12R1.56 COC1=C(F)C=CC([C@@H](C)N)=C1 F52153 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 F52156 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.56 COC1=C(F)C=CC([N+](=O)[O-])=C1 F45449 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 K53021 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 K45455 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 H46448 [0,1,0,0,0,0|1,0,1]=3 267 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [0,1,0,0,0,0|1,0,0]=2 268 B12R1.56 COC1=CC([N+](=O)[O-])=CN=C1Cl C25245 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=C1 B47387 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)O)=C1 C47395 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.56 N#CC1=C(F)C=CC(C(=O)O)=C1 C47401 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.56 N#CC1=C(N)C=CC(C(=O)O)=C1 A47876 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 C47725 [0,1,0,0,0,0|2,0,0]=3 274 B12R1.56 O=C(O)C1=CC(CO)=C(Br)C=C1 B48647 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 F47806 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 F68325 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.56 O=CC1=C(O)C=CC([N+](=O)[O-])=C1 N66220 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [0,1,0,0,0,0|1,0,0]=2 279 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [0,1,0,0,0,0|1,0,1]=3 280 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 F51180 [0,1,0,0,0,0|1,0,2]=4 281 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [0,1,0,0,0,0|1,0,1]=3 282 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [0,1,0,0,0,0|0,0,0]=1 283 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [0,1,0,0,0,0|1,0,1]=3 284 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [0,1,0,0,0,0|2,0,0]=3 285 B12R1.78 COC1=CC(OC)=C(CN)C=C1 D37838 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.78 COC1=CC=C(CN)N=C1OC D29503 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.270 CCOC1=C(Br)C=CC(C=O)=C1 B51879 [0,1,0,0,0,0|1,0,0]=2 288 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 E69849 [0,1,0,0,0,0|1,0,1]=3 289 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 M52551 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 C51530 [0,1,0,0,0,0|2,0,1]=4 291 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 H15564 [0,1,0,0,0,0|1,0,1]=3 292 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 D61559 [0,1,0,0,0,0|0,0,0]=1 293 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O B67398 [0,1,0,0,0,0|0,0,0]=1 294 B12R1.300 COC1=CC(C=O)=CC(F)=C1O F48688 [0,1,0,0,0,0|0,0,0]=1 295 B12R1.300 COC1=CC(Cl)=C(N)C(OC)=C1 C46780 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.300 COC1=CC(OC)=C(Cl)C(N)=C1 C46779 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.449 COC1=C(Br)C=C(F)C(C=O)=C1 B62798 [0,1,0,0,0,0|1,0,0]=2 298 B12R1.449 COC1=CC(C#N)=C(F)C=C1N A48375 [0,1,0,0,0,0|2,0,1]=4 299 B12R1.449 COC1=CC(C=O)=C(Br)C=C1F B63346 [0,1,0,0,0,0|1,0,0]=2 300 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O B48649 [0,1,0,0,0,0|0,0,0]=1 301 B12R1.449 COC1=CC(OC)=C(Br)C=C1Br D49081 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.449 N#CC1=C(F)C=C(F)C(C=O)=C1 D47307 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.453 CC(=O)C1=C(O)C=CC(C#N)=C1 A51163 [0,1,0,0,0,0|2,0,1]=4 304 B12R1.453 CC1=C([N+](=O)[O-])C=C(C=O)C=C1 M48501 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 H49921 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.453 NC1=C([N+](=O)[O-])C=C(C=O)C=C1 A45245 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.453 O=CC1=CC(B(O)O)=C(Cl)C=C1 C2225 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.453 O=CC1=CC(B(O)O)=C(F)C=C1 F2227 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.453 O=CC1=CC(C(=O)O)=C(F)C=C1 F67123 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(Br)C=C1 B44463 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(Cl)C=C1 C44472 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(F)C=C1 F44479 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C64134 [0,1,0,0,0,0|0,0,0]=1 314 B12R2.44 C#CC1=CC2=C(C=C1)OCO2 E50963 [0,0,0,1,0,0|1,0,1]=3 315 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 M47716 [0,0,0,1,0,0|1,0,1]=3 316 B12R2.44 O=CC1=CC2=C(C=C1)C=NN2 I9282 [0,0,0,1,0,0|3,0,0]=4 317 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 K52409 [0,0,0,1,0,0|2,0,0]=3 318 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 B67798 [0,0,0,1,0,0|1,0,1]=3 319 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 B47759 [0,0,0,1,0,0|1,1,1]=4 320 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 F2137 [0,0,0,1,0,0|2,0,1]=4 321 B12R2.44 O=CC1=CC2=C(C=C1)NN=C2 I5564 [0,0,0,1,0,0|3,0,0]=4 322 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 B37163 [0,0,0,1,0,0|1,0,1]=3 323 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 B61014 [0,0,0,1,0,0|1,0,1]=3 324 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 D51558 [0,0,0,1,0,0|1,0,0]=2 325 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 B36746 [0,0,0,1,0,0|1,1,1]=4 326 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 F2138 [0,0,0,1,0,0|2,0,1]=4 327 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 B51038 [0,0,0,1,0,0|1,1,1]=4 328 B12R2.44 O=CC1=CC2=NON=C2C=C1 B44351 [0,0,0,1,0,0|3,0,0]=4 329 B12R2.44 O=CC1=CC2=NSN=C2C=C1 B44380 [0,0,0,1,0,0|3,0,0]=4 330 B12R2.44 O=CC1=NC=C2OC=CC2=C1 F39054 [0,0,0,1,0,0|2,0,1]=4 331 B12R2.44 OCC1=CC2=C(C=C1)CCO2 D37247 [0,0,0,1,0,0|1,0,2]=4 332 B12R2.44 OCC1=CC2=C(C=C1)OCC2 D65568 [0,0,0,1,0,0|1,0,2]=4 333 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [2,0,0,0,0,0|1,0,1]=4 334 B9R1.2 C#CC1=CC=CC(O)=C1 E37627 [2,0,0,0,0,0|1,0,1]=4 335 B9R1.2 C=CC1=CC=CC(Br)=C1 B36635 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.2 C=CC1=CC=CC(N)=C1 V49171 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [2,0,0,0,0,0|1,0,0]=3 339 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [2,0,0,0,0,0|1,0,0]=3 340 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [2,0,0,0,0,0|1,0,0]=3 341 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [2,0,0,0,0,0|1,0,1]=4 342 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [2,0,0,0,0,0|1,0,0]=3 346 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [2,0,0,0,0,0|1,0,1]=4 351 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.2 COC1=CC(=O)NC=C1 M43139 [2,0,0,0,0,0|1,0,0]=3 354 B9R1.2 COC1=CC(=O)NC=N1 M41034 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.2 COC1=CC(=O)NN=C1 M17895 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.2 COC1=CC(Br)=NC=C1 B9053 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.2 COC1=CC(C)=NC=C1 M22575 [2,0,0,0,0,0|1,0,1]=4 359 B9R1.2 COC1=CC(Cl)=NC=C1 C5269 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.2 COC1=CC(F)=NC=C1 F21874 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.2 COC1=CC(N)=NC=C1 A43189 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.2 COC1=CC(O)=CC=C1 M27960 [2,0,0,0,0,0|0,0,1]=3 363 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.2 COC1=CC=CC(F)=C1 F45965 [2,0,0,0,0,0|1,0,0]=3 366 B9R1.2 COC1=CC=CC(F)=N1 F67375 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.2 COC1=CC=CC(I)=C1 K45966 [2,0,0,0,0,0|1,0,0]=3 368 B9R1.2 COC1=CC=CC(I)=N1 K42932 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [2,0,0,0,0,0|1,0,0]=3 370 B9R1.2 COC1=CN=CC(N)=C1 A14114 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.2 COC1=CN=CC(N)=C1 A7930 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.2 COC1=CN=CC(O)=C1 M43136 [2,0,0,0,0,0|1,0,1]=4 373 B9R1.2 COC1=NC(C)=CC=C1 M46380 [2,0,0,0,0,0|1,0,1]=4 374 B9R1.2 COC1=NC(N)=CC=C1 A43190 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.2 COC1=NC=CC(C)=C1 M46379 [2,0,0,0,0,0|1,0,1]=4 377 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.2 COC1=NC=CC(F)=C1 F42927 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.2 COC1=NC=CC(I)=C1 K60534 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.2 COC1=NC=CC(N)=C1 M3947 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.2 COC1=NC=CC(O)=C1 M38428 [2,0,0,0,0,0|1,0,1]=4 382 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [2,0,0,0,0,0|1,1,0]=4 383 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [2,0,0,0,0,0|1,1,0]=4 384 B9R1.2 N#CC1=CC=CC(O)=C1 H64947 [2,0,0,0,0,0|1,0,1]=4 385 B9R1.2 NC1=CC(C=O)=NC=C1 A37575 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.2 O=CC1=CC(Br)=CN=C1 B3012 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.2 O=CC1=CC(Br)=NC=C1 B2598 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.2 O=CC1=CC(Cl)=CN=C1 C15036 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.2 O=CC1=CC(Cl)=NC=C1 C0408 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.2 O=CC1=CC(F)=CN=C1 F15543 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.2 O=CC1=CC(F)=NC=C1 F2753 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [2,0,0,0,0,0|0,0,0]=2 394 B9R1.2 O=CC1=CC(O)=NC=C1 H42599 [2,0,0,0,0,0|1,0,0]=3 395 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [2,0,0,0,0,0|1,0,0]=3 396 B9R1.2 O=CC1=CC=CC(Br)=N1 B0253 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.2 O=CC1=CC=CC(Cl)=N1 C42296 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [2,0,0,0,0,0|1,0,0]=3 400 B9R1.2 O=CC1=CC=CC(F)=N1 F42303 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [2,0,0,0,0,0|1,0,0]=3 402 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.2 O=CC1=NC=CC(Br)=C1 B15000 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.2 O=CC1=NC=CC(Cl)=C1 C10313 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.2 O=CC1=NC=CC(F)=C1 F16335 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [2,0,0,0,0,0|1,0,1]=4 407 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [2,0,0,0,0,0|1,0,1]=4 408 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [2,0,0,0,0,0|1,0,0]=3 419 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.15 COC1=C(F)C=CC=N1 F42926 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.15 COC1=C(I)C=CC=C1 K68160 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.15 COC1=C(I)C=CC=N1 K42933 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.15 COC1=C(I)C=NC=C1 K42934 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.15 COC1=C(N)C=NC=C1 A43191 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.15 COC1=C(N)N=CC=C1 A69248 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [2,0,0,0,0,0|1,0,0]=3 431 B9R1.15 COC1=CC=CN=C1Br B4536 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.15 COC1=CC=CN=C1Cl C24085 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.15 COC1=CC=CN=C1F F42924 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.15 COC1=CC=CN=C1I K62151 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.15 COC1=NC=CC=C1C M46378 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.15 COC1=NC=CC=C1N A12743 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [2,0,0,0,0,0|1,1,0]=4 438 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.69 CC1=C(Br)C=CC(Br)=C1 D39368 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 B9485 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.69 CC1=C(Br)C=CC(F)=C1 B45168 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.69 CC1=C(Br)C=CC(I)=C1 B45173 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.69 CC1=C(Br)C=CC(N)=C1 B61976 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.69 CC1=C(Br)C=CC(N)=C1 B67860 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.69 CC1=C(Br)C=CC(O)=C1 B39404 [2,0,0,0,0,0|1,0,1]=4 448 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 B45163 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.69 CC1=C(Cl)C=CC(I)=C1 C45179 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.69 CC1=C(Cl)C=CC(N)=C1 C25031 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.69 CC1=C(Cl)C=CC([Mg+])=C1 C31776 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.69 CC1=C(F)C=CC(Cl)=C1 C45178 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.69 CC1=C(F)C=CC(F)=C1 D45185 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.69 CC1=C(F)C=CC(I)=C1 F39375 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.69 CC1=C(F)C=CC(N)=C1 F39413 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.69 CC1=C(F)C=CC(O)=C1 F45963 [2,0,0,0,0,0|1,0,1]=4 460 B9R1.69 CC1=C(F)C=CC([Mg+])=C1 F31747 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.69 CC1=C(I)C=CC(=O)N1 K42938 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.69 CC1=C(I)C=CC(Br)=C1 B39374 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.69 CC1=C(I)C=CC(Cl)=C1 C45182 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.69 CC1=C(I)C=CC(F)=C1 F39376 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.69 CC1=C(I)C=CC(O)=C1 K45969 [2,0,0,0,0,0|1,0,1]=4 466 B9R1.69 CC1=C(N)C=CC(F)=C1 F68357 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.69 CC1=C(N)C=CC(I)=C1 K46119 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.69 CC1=C(N)C=CC(O)=C1 A39417 [2,0,0,0,0,0|1,0,1]=4 469 B9R1.69 CC1=C(O)C=C(Br)C=C1 B45951 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.69 CC1=C(O)C=C(F)C=C1 F45964 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.69 CC1=C(O)C=C(O)C=C1 M28674 [2,0,0,0,0,0|1,0,1]=4 472 B9R1.69 CC1=C(O)C=CC(Br)=C1 B45950 [2,0,0,0,0,0|1,0,0]=3 473 B9R1.69 CC1=C(O)C=CC(Br)=N1 B42888 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.69 CC1=C(O)C=CC(Cl)=N1 C42909 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.69 CC1=C(O)C=CC(F)=C1 F45962 [2,0,0,0,0,0|1,0,0]=3 476 B9R1.69 CC1=C(O)C=CC(I)=C1 K45968 [2,0,0,0,0,0|1,0,0]=3 477 B9R1.69 CC1=C(O)C=CC(N)=C1 A46374 [2,0,0,0,0,0|1,0,0]=3 478 B9R1.69 CC1=C([Mg+])C=CC(Cl)=C1 C31775 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.69 CC1=C([Mg+])C=CC(F)=C1 F31746 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.69 CC1=CC(Br)=C(O)C=C1 B39403 [2,0,0,0,0,0|1,0,1]=4 481 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [2,0,0,0,0,0|1,0,1]=4 482 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [2,0,0,0,0,0|1,0,1]=4 483 B9R1.69 CC1=CC(Cl)=C(O)C=C1 C38476 [2,0,0,0,0,0|1,0,1]=4 484 B9R1.69 CC1=CC(Cl)=CN=C1O C42905 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.69 CC1=CC(F)=C(O)C=C1 F45958 [2,0,0,0,0,0|1,0,1]=4 486 B9R1.69 CC1=CC(F)=NC=C1O F42929 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.69 CC1=CC(I)=C(O)C=C1 K60967 [2,0,0,0,0,0|1,0,1]=4 488 B9R1.69 CC1=CC(I)=CN=C1O K42936 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.69 CC1=CC(O)=C(Br)C=C1 B36626 [2,0,0,0,0,0|1,0,1]=4 490 B9R1.69 CC1=CC(O)=C(F)C=C1 F45959 [2,0,0,0,0,0|1,0,1]=4 491 B9R1.69 CC1=CC(O)=C(N)C=C1 A68595 [2,0,0,0,0,0|1,0,1]=4 492 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [2,0,0,0,0,0|1,0,1]=4 493 B9R1.69 NC1=C(O)C=C(Br)C=C1 A36609 [2,0,0,0,0,0|2,0,0]=4 494 B9R1.69 NC1=C(O)C=C(Cl)C=C1 A69179 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.69 NC1=C(O)C=C(F)C=C1 A42919 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.69 NC1=C(O)C=C(O)C=C1 A43536 [2,0,0,0,0,0|1,0,1]=4 497 B9R1.69 NC1=C(O)C=CC(Br)=C1 A42876 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.69 NC1=C(O)C=CC(F)=C1 A42918 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.69 NC1=C(O)C=CC(O)=C1 A36668 [2,0,0,0,0,0|1,0,1]=4 500 B9R1.69 NC1=C(O)C=CC(O)=C1 A43535 [2,0,0,0,0,0|1,0,1]=4 501 B9R1.69 NC1=CC(Br)=C(O)C=C1 A42878 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.69 NC1=CC(Cl)=C(O)C=C1 A69219 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.69 NC1=CC(F)=C(O)C=C1 A42921 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.69 NC1=CC(F)=C(O)C=C1 A63986 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.69 NC1=CC(O)=C(Cl)C=C1 C42897 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.69 NC1=CC(O)=C(O)C=C1 A43430 [2,0,0,0,0,0|1,0,0]=3 507 B9R1.69 OC1=C(Br)C=C(Cl)C=C1 B39249 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.69 OC1=C(Br)C=C(F)C=C1 B39250 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.69 OC1=C(Br)C=CC(Br)=C1 D9405 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 B32295 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.69 OC1=C(Br)C=CC(F)=C1 B42343 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.69 OC1=C(Br)C=CC(I)=C1 B42348 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.69 OC1=C(Cl)C=C(Br)C=C1 B67874 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.69 OC1=C(Cl)C=C(F)C=C1 C39252 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.69 OC1=C(Cl)C=C(I)C=C1 C42359 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 B67837 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.69 OC1=C(Cl)C=CC(F)=C1 C42353 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.69 OC1=C(Cl)C=CC(I)=C1 C36714 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.69 OC1=C(F)C=C(Br)C=C1 B39251 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.69 OC1=C(F)C=C(Cl)C=C1 C42357 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.69 OC1=C(F)C=C(F)C=C1 D39253 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.69 OC1=C(F)C=C(I)C=C1 F42367 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.69 OC1=C(F)C=CC(Br)=C1 B42347 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 OC1=C(F)C=CC(Cl)=C1 C42358 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 OC1=C(F)C=CC(F)=C1 D42364 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 OC1=C(F)C=CC(I)=C1 F36767 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 OC1=C(I)C=C(Br)C=C1 B42351 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.69 OC1=C(I)C=C(Cl)C=C1 C38571 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.69 OC1=C(I)C=C(F)C=C1 F42370 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.69 OC1=C(I)C=CC(Br)=C1 B28730 [2,0,0,0,0,0|2,0,0]=4 531 B9R1.69 OC1=C(I)C=CC(Cl)=C1 C42363 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.69 OC1=C(O)C=C(Br)C=C1 B67979 [2,0,0,0,0,0|1,0,0]=3 533 B9R1.69 OC1=CC(Br)=CN=C1O B36779 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.69 OC1=CC(Cl)=CN=C1O C40837 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.69 OC1=CC(O)=C(Br)C=C1 B42694 [2,0,0,0,0,0|1,0,1]=4 536 B9R1.69 OC1=CC(O)=C(Cl)C=C1 C68880 [2,0,0,0,0,0|1,0,1]=4 537 B9R1.69 OC1=CC(O)=C(F)C=C1 F42702 [2,0,0,0,0,0|1,0,1]=4 538 B9R1.69 OC1=CC(O)=C(O)C=C1 B68356 [2,0,0,0,0,0|0,0,1]=3 539 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [2,0,0,0,0,0|2,0,0]=4 540 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [2,0,0,0,0,0|1,0,0]=3 541 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [2,0,0,0,0,0|1,0,0]=3 542 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [2,0,0,0,0,0|1,0,1]=4 546 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [2,0,0,0,0,0|2,0,0]=4 547 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [2,0,0,0,0,0|1,0,1]=4 549 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [2,0,0,0,0,0|1,0,0]=3 550 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [2,0,0,0,0,0|1,0,0]=3 551 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [2,0,0,0,0,0|1,0,0]=3 552 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [2,0,0,0,0,0|1,0,0]=3 553 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [2,0,0,0,0,0|1,0,1]=4 557 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [2,0,0,0,0,0|1,0,0]=3 560 B11R1.8 COC1=C(C)C(C)=CC(C)=C1 M53084 [1,1,0,0,0,0|1,0,1]=4 561 B11R1.8 COC1=C(O)C(C)=CC(Br)=C1 B0722 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.8 COC1=CC(Br)=CC(F)=C1Cl B45138 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.8 COC1=CC(Br)=CC(F)=C1F B45147 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.8 COC1=CC(C)=CC(F)=C1O F49394 [1,1,0,0,0,0|0,0,1]=3 565 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 B50154 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 B38474 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.37 COC1=C(C#N)C=CC(C)=C1 M51760 [1,1,0,0,0,0|1,0,1]=4 568 B11R1.37 COC1=C(C#N)C=CC(F)=C1 F37947 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.37 COC1=C(C#N)C=CC(N)=C1 A67804 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 B48577 [1,1,0,0,0,0|1,0,1]=4 571 B11R1.37 COC1=C(C=O)C=CC(C)=C1 M49887 [1,1,0,0,0,0|0,0,2]=4 572 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 C48598 [1,1,0,0,0,0|1,0,1]=4 573 B11R1.37 COC1=C(C=O)C=CC(F)=C1 F38615 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.37 COC1=C(C=O)C=CC(O)=C1 H68872 [1,1,0,0,0,0|0,0,2]=4 575 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 B38655 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.37 COC1=C(CN)C=CC(F)=C1 F46817 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.37 COC1=C(CO)C=CC(Br)=C1 B49376 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.37 COC1=C(CO)C=CC(Br)=N1 B46129 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.37 COC1=C(CO)C=CC(O)=C1 H4698 [1,1,0,0,0,0|0,0,1]=3 580 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 C46330 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.37 COC1=C(OC)C=C(Br)C=C1 B39520 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.37 COC1=C(OC)C=C(F)C=C1 F49393 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.37 COC1=C(OC)C=C(I)C=C1 K49399 [1,1,0,0,0,0|1,0,0]=3 584 B11R1.37 COC1=C(OC)C=C(N)C=C1 D39436 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.37 COC1=C(OC)C=C([Mg+])C=C1 D31789 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.37 COC1=C(OC)N=C(I)C=C1 K62513 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.37 COC1=CC(Br)=CN=C1OC B46127 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [1,1,0,0,0,0|1,0,1]=4 589 B11R1.37 COC1=CC(Cl)=NC=C1CO C63126 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.37 COC1=CC=C(N)N=C1OC D43649 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.72 COC1=C(Br)C=CC(F)=C1F B61018 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 B3183 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 H49899 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 C48603 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 F39496 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 A49291 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 D39506 [1,1,0,0,0,0|1,0,1]=4 598 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.182 COCC1=C(F)C=CC(Br)=C1 B39083 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.277 COC1=C(Br)C=C(Br)C(N)=C1 D45868 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.277 COC1=C(Br)C=C(C)C(N)=C1 B46790 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.277 COC1=C(Br)C=C(Cl)C(N)=C1 B45873 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.277 COC1=C(Br)C=C(N)C(C)=C1 B46791 [1,1,0,0,0,0|1,0,1]=4 604 B11R1.277 COC1=C(Cl)C=C(Cl)C(N)=C1 D45878 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.277 COC1=CC(=O)C(Br)=CC1=O B45114 [1,1,0,0,0,0|0,0,1]=3 606 B11R1.277 COC1=CC(Br)=C(Cl)C=C1N B45874 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.277 COC1=CC(Br)=C(F)C=C1Cl B45137 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.277 COC1=CC(Br)=C(F)C=C1N B69184 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.277 COC1=CC(Br)=C(N)C=C1C B46788 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.277 COC1=CC(F)=C(Br)C=C1N B62093 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.277 COC1=CC(N)=C(Br)C=C1C B46789 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.277 COC1=CC(N)=C(Cl)C=C1F C63460 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.9 COC1=CC(Br)=CC(OC)=C1 B49374 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.9 COC1=CC(C#N)=CC(Br)=C1 B9185 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.9 COC1=CC(C#N)=CC(F)=C1 F48102 [1,1,0,0,0,0|1,0,1]=4 616 B11R1.9 COC1=CC(C)=CC(C=O)=C1 M49890 [1,1,0,0,0,0|0,0,0]=2 617 B11R1.9 COC1=CC(C=O)=CC(Br)=C1 B48576 [1,1,0,0,0,0|0,0,0]=2 618 B11R1.9 COC1=CC(C=O)=CC(Cl)=C1 C38366 [1,1,0,0,0,0|0,0,0]=2 619 B11R1.9 COC1=CC(C=O)=CC(F)=C1 F38591 [1,1,0,0,0,0|0,0,0]=2 620 B11R1.9 COC1=CC(CBr)=CC(Cl)=C1 B49132 [1,1,0,0,0,0|1,0,1]=4 621 B11R1.9 COC1=CC(CBr)=CC(F)=C1 F49137 [1,1,0,0,0,0|1,0,1]=4 622 B11R1.9 COC1=CC(Cl)=CC(OC)=C1 C49385 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.9 COC1=CC(F)=CC(OC)=C1 F49391 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.9 COC1=CC(N)=CC(C#N)=C1 A48801 [1,1,0,0,0,0|1,0,1]=4 625 B11R1.9 COC1=CC(N)=CC(CO)=C1 A46924 [1,1,0,0,0,0|0,0,2]=4 626 B11R1.9 COC1=CC(N)=CC(OC)=C1 D46917 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.9 COC1=CC(O)=CC(C=O)=C1 H38286 [1,1,0,0,0,0|0,0,0]=2 628 B11R1.9 COC1=CC(O)=CC(OC)=C1 D67397 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.9 COC1=CC([Mg+])=CC(OC)=C1 D31790 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.9 COC1=NC(C)=CC(C=O)=C1 M32240 [1,1,0,0,0,0|1,0,0]=3 631 B11R1.9 N#CC1=CC(C=O)=CC(Cl)=C1 C63447 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.9 N#CC1=CC(C=O)=CC(F)=C1 F47450 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.9 O=CC1=CC(Br)=CC(C=O)=C1 B47764 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.189 C=CCC1=CC=CC(OC)=C1 M52782 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.189 CNCC1=CC=CC(OC)=C1 M50357 [1,1,0,0,0,0|1,0,1]=4 636 B11R1.189 COC1=CC(CC#N)=CC=C1 M22153 [1,1,0,0,0,0|1,0,1]=4 637 B11R1.189 COC1=CC(CCN)=CC=C1 M52171 [1,1,0,0,0,0|1,0,1]=4 638 B11R1.189 COC1=CC(CCN)=CC=C1 M67069 [1,1,0,0,0,0|1,0,1]=4 639 B11R1.189 COC1=CC(CCO)=CC=C1 M50285 [1,1,0,0,0,0|0,0,2]=4 640 B11R1.189 COC1=CC(CNN)=CC=C1 M0100 [1,1,0,0,0,0|1,0,1]=4 641 B11R1.189 COCC1=CC=CC(C=O)=N1 M49286 [1,1,0,0,0,0|1,0,0]=3 642 B11R1.266 C#CC1=CC=CC(C(=O)O)=C1 E50962 [1,1,0,0,0,0|1,0,1]=4 643 B11R1.266 CC(=O)C1=CC(C#N)=CC=C1 A51159 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 P52779 [1,1,0,0,0,0|1,0,0]=3 645 B11R1.266 CCC1=CC=CC([N+](=O)[O-])=C1 E49272 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.266 CN(C)C1=CC=CC(C=O)=C1 D50021 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.266 COC1=CC(B(O)O)=CC=C1 M4280 [1,1,0,0,0,0|1,0,1]=4 648 B11R1.266 COC1=CC(C(=N)N)=CC=C1 M49491 [1,1,0,0,0,0|1,0,0]=3 649 B11R1.266 COC1=CC(C(=N)N)=NC=C1 M37699 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.266 COC1=CC(C(=O)O)=CN=C1 M45836 [1,1,0,0,0,0|1,0,0]=3 651 B11R1.266 COC1=CC(C(=O)O)=CN=N1 M19640 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.266 COC1=CC(C(=O)O)=NC=C1 M3752 [1,1,0,0,0,0|1,0,0]=3 653 B11R1.266 COC1=CC(C(=O)O)=NC=N1 M23407 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.266 COC1=CC(N(C)C)=CC=C1 M50347 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 M50354 [1,1,0,0,0,0|1,0,1]=4 656 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M52175 [1,1,0,0,0,0|1,0,1]=4 657 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64083 [1,1,0,0,0,0|1,0,1]=4 658 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64469 [1,1,0,0,0,0|1,0,1]=4 659 B11R1.266 COC1=CC([C@H](C)O)=CC=C1 M50283 [1,1,0,0,0,0|0,0,2]=4 660 B11R1.266 COC1=CC=CC(C(=O)O)=N1 M45837 [1,1,0,0,0,0|1,0,0]=3 661 B11R1.266 COC1=CC=CC(C(C)=O)=C1 M27970 [1,1,0,0,0,0|0,0,0]=2 662 B11R1.266 COC1=CC=CC(C(C)=O)=N1 A49277 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.266 COC1=CC=CC(C(N)=O)=N1 M39020 [1,1,0,0,0,0|1,0,0]=3 664 B11R1.266 COC1=CN=CC(C(=O)O)=N1 M42788 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.266 COC1=CN=CC(C(N)=O)=N1 M63359 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.266 COC1=NC=CC(C(=O)O)=C1 M12734 [1,1,0,0,0,0|1,0,0]=3 667 B11R1.266 COC1=NC=CC(C(=O)O)=N1 M38982 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 M49088 [1,1,0,0,0,0|0,1,0]=3 669 B11R1.266 N#CC1=CC=CC(C(=O)Cl)=C1 C47437 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 C39460 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 C47866 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.266 NC(=O)C1=CC(C=O)=CC=C1 F48454 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.266 NC(=O)C1=CC=CC(CBr)=C1 B39073 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 A49646 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 A46649 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 H62311 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 B38629 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 C48590 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.266 O=CC1=CC(B(O)O)=CC=C1 F3520 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.266 O=CC1=CC=CC(C(=O)O)=C1 F27989 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.266 O=CC1=CC=CC([N+](=O)[O-])=C1 N69085 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.267 COC1=C(Br)C(C=O)=CC=C1 B48572 [1,1,0,0,0,0|0,0,0]=2 683 B11R1.267 COC1=C(Cl)C(C#N)=CC=C1 C62247 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.267 COC1=C(Cl)C(C=O)=CC=C1 C68319 [1,1,0,0,0,0|0,0,0]=2 685 B11R1.267 COC1=C(F)C(C#N)=CC=C1 F48099 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.267 COC1=C(N)C(C#N)=CC=C1 A32020 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.267 COC1=C(N)C(CO)=CC=C1 A46921 [1,1,0,0,0,0|0,0,2]=4 688 B11R1.267 COC1=CC=CC(C=O)=C1O V68098 [1,1,0,0,0,0|0,0,0]=2 689 B11R1.267 COC1=CC=CC(OC)=C1Br B49375 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.267 COC1=CC=CC(OC)=C1Cl C49386 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.267 COC1=CC=CC(OC)=C1I K49398 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.267 COC1=CC=CC(OC)=C1N D63809 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.267 COC1=CC=CC(OC)=C1N D9397 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.267 COC1=CC=CC(OC)=C1O D67574 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.267 N#CC1=C(Cl)C(C=O)=CC=C1 C47439 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.267 O=CC1=CC=CC(C=O)=C1Br B47763 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.267 O=CC1=CC=CC(C=O)=C1O H48208 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.14 CC1=C(I)C=C(C=O)C=C1I D48293 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.14 CC1=CC(C#N)=CC(C)=C1O D1628 [1,1,0,0,0,0|1,0,1]=4 700 B11R1.14 CC1=CC(C#N)=CC(Cl)=C1O C0012 [1,1,0,0,0,0|1,0,1]=4 701 B11R1.14 CC1=CC(C=O)=CC(C)=C1Br B52028 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.14 CC1=CC(C=O)=CC(C)=C1O H67928 [1,1,0,0,0,0|0,0,0]=2 703 B11R1.14 NC1=C(Cl)C=C(C=O)C=C1Cl A45046 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.14 O=CC1=CC(Br)=C(F)C(F)=C1 B44243 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.14 O=CC1=CC(Br)=C(O)C(Br)=C1 D60592 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.14 O=CC1=CC(Br)=C(O)C(Cl)=C1 B44574 [1,1,0,0,0,0|1,0,0]=3 707 B11R1.14 O=CC1=CC(Cl)=C(Cl)C(Cl)=C1 T44259 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.14 O=CC1=CC(Cl)=C(O)C(Cl)=C1 D44587 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.14 O=CC1=CC(F)=C(Br)C(F)=C1 B44246 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.14 O=CC1=CC(F)=C(F)C(F)=C1 T44271 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.14 O=CC1=CC(F)=C(F)C(O)=C1 D44609 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.14 O=CC1=CC(F)=C(O)C(F)=C1 D37678 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 B39475 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 B48269 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 A49026 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.21 CC(=O)C1=CC(Br)=C(O)C=C1 B48581 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 B52034 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 B63831 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 C52042 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 F28728 [1,1,0,0,0,0|1,0,0]=3 722 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 B48245 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 D39476 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 C48274 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 B48250 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 C69014 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 D39477 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 A49052 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 F48621 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.21 CC(=O)C1=CC(N)=C(Cl)C=C1 A49040 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 D68113 [1,1,0,0,0,0|0,0,0]=2 734 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C49042 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 B48570 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 B38437 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 B37042 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.21 CC1=C(Br)C=CC([N+](=O)[O-])=C1 B39379 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 B45347 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 D69089 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 D49279 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 C48593 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 C39491 [1,1,0,0,0,0|1,0,0]=3 744 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 C18675 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 F48613 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 F39495 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 F37719 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=C1 N69301 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 K25553 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 K63515 [1,1,0,0,0,0|1,0,0]=3 751 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 K45398 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 A39517 [1,1,0,0,0,0|1,0,0]=3 753 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 H49095 [1,1,0,0,0,0|1,0,0]=3 754 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 M39397 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 H46446 [1,1,0,0,0,0|1,0,1]=4 756 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 H49097 [1,1,0,0,0,0|0,0,0]=2 757 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 M45830 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl C45358 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.21 CC1=CC(C(=O)O)=CNC1=O M45851 [1,1,0,0,0,0|1,0,1]=4 760 B11R1.21 CN1C=C(C(=O)O)C=CC1=O D7475 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 B45032 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D62335 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 A45997 [1,1,0,0,0,0|1,0,0]=3 764 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 A45330 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 A45328 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 A69418 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 A69510 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 A45379 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 A45377 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 A45396 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 A45395 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 A67467 [1,1,0,0,0,0|1,0,0]=3 773 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 H38960 [1,1,0,0,0,0|1,0,1]=4 774 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 D36700 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 B44568 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 B39336 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 B44584 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 B3783 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 B44571 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 C44591 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.21 O=C(O)C1=CC(Cl)=C(I)C=C1 C38946 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 C62141 [1,1,0,0,0,0|1,0,0]=3 783 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 B44576 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 C37845 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 D68133 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 F36867 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 F68105 [1,1,0,0,0,0|1,0,0]=3 788 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 B67829 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 C44602 [1,1,0,0,0,0|2,0,0]=4 790 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 F44617 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 B45113 [1,1,0,0,0,0|1,0,0]=3 792 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 C38513 [1,1,0,0,0,0|1,0,0]=3 793 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 F24023 [1,1,0,0,0,0|1,0,0]=3 794 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 H45126 [1,1,0,0,0,0|1,0,0]=3 795 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 B37386 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 B42260 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 F67644 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 B5176 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 C42266 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 F42279 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.21 O=[N+]([O-])C1=CC(O)=C(I)C=C1 K62017 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 N61905 [1,1,0,0,0,0|1,0,0]=3 803 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [1,1,0,0,0,0|1,0,1]=4 804 B11R1.278 CC1=C(F)C=CC(C=O)=C1Cl C48280 [1,1,0,0,0,0|1,0,0]=3 805 B11R1.278 CC1=C(F)C=CC(C=O)=C1F D48288 [1,1,0,0,0,0|1,0,0]=3 806 B11R1.278 CC1=C(O)C=CC(C#N)=C1N A65381 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.278 CC1=C(O)C=CC(C=O)=C1O D49103 [1,1,0,0,0,0|0,0,0]=2 808 B11R1.278 O=CC1=C(F)C(F)=C(Br)C=C1 B38660 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.278 O=CC1=C(O)C(O)=C(Br)C=C1 B67275 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.278 O=CC1=C(O)C(O)=C(O)C=C1 T39391 [1,1,0,0,0,0|0,0,0]=2 811 B11R1.278 O=CC1=CC=C(Cl)C(O)=C1Cl D44586 [1,1,0,0,0,0|1,0,0]=3 812 B11R1.278 O=CC1=CC=C(F)C(Br)=C1F B44240 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.278 O=CC1=CC=C(F)C(Cl)=C1F C44263 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.278 O=CC1=CC=C(F)C(F)=C1Cl C37089 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.278 O=CC1=CC=C(F)C(F)=C1F T37893 [1,1,0,0,0,0|2,0,0]=4 816 B11R1.278 O=CC1=CC=C(F)C(F)=C1O D44608 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.278 O=CC1=CC=C(F)C(O)=C1F D44606 [1,1,0,0,0,0|1,0,0]=3 818 B11R1.278 O=CC1=CC=C(O)C(F)=C1F D44605 [1,1,0,0,0,0|1,0,0]=3 819 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B2967 [1,1,0,0,0,0|1,0,0]=3 820 B11R1.279 COC1=C(C)C=C(C#N)C=C1 M63445 [1,1,0,0,0,0|1,0,1]=4 821 B11R1.279 COC1=C(C)C=C(C=O)C=C1 M49891 [1,1,0,0,0,0|0,0,0]=2 822 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 C67645 [1,1,0,0,0,0|1,0,0]=3 823 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 C37108 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.279 COC1=C(F)C=C(C=O)C=C1 F48620 [1,1,0,0,0,0|1,0,0]=3 825 B11R1.279 COC1=C(I)C=C(C=O)C=C1 K48635 [1,1,0,0,0,0|1,0,0]=3 826 B11R1.279 COC1=C(N)C=C(C=O)C=C1 A49285 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.279 COC1=C(O)C=C(C#N)C=C1 H67534 [1,1,0,0,0,0|1,0,1]=4 828 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [1,1,0,0,0,0|0,0,2]=4 829 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.279 COC1=CC(O)=C(OC)C=C1 D46841 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 F47448 [1,1,0,0,0,0|2,0,0]=4 832 B13R1.13 CC(=O)C1=C(O)C=CC(C(=O)O)=C1 A38236 [0,2,0,0,0,0|1,0,0]=3 833 B13R1.13 CC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 H48521 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.13 CC(=O)C1=CC([N+](=O)[O-])=C(O)C=C1 H68972 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.13 CC(C)C1=C(O)C=CC([N+](=O)[O-])=C1 P50084 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(O)C=C1 H65677 [0,2,0,0,0,0|2,0,0]=4 837 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(O)C=C1 H39362 [0,2,0,0,0,0|2,0,0]=4 838 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 H52846 [0,2,0,0,0,0|0,0,0]=2 839 B13R1.49 COC(=O)C1=CC(C#N)=C(O)C=C1 M51208 [0,2,0,0,0,0|2,0,0]=4 840 B13R1.49 COC(=O)C1=CC(C=O)=C(O)C=C1 M51641 [0,2,0,0,0,0|2,0,0]=4 841 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=C1 M51973 [0,2,0,0,0,0|1,0,0]=3 842 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=N1 M37159 [0,2,0,0,0,0|2,0,0]=4 843 B13R1.49 COC(=O)C1=CC(OC)=C(I)C=C1 M52003 [0,2,0,0,0,0|1,0,0]=3 844 B13R1.49 COC(=O)C1=CC(OC)=C(N)C=C1 M64423 [0,2,0,0,0,0|1,0,0]=3 845 B13R1.49 COC(=O)C1=CN=C(Br)C(OC)=C1 M48990 [0,2,0,0,0,0|2,0,0]=4 846 B13R1.49 COC(=O)C1=CN=C(Cl)C(OC)=C1 M49003 [0,2,0,0,0,0|2,0,0]=4 847 B13R1.49 COC(=O)C1=NC(OC)=C(Br)C=C1 M48988 [0,2,0,0,0,0|2,0,0]=4 848 B13R1.49 COC(=O)C1=NC(OC)=C(O)C=C1 M49356 [0,2,0,0,0,0|1,0,0]=3 849 B13R1.49 COC1=C(F)C=CC(C(=O)CBr)=C1 B51591 [0,2,0,0,0,0|1,0,0]=3 850 B13R1.49 O=C(CBr)C1=CC(CO)=C(O)C=C1 B66625 [0,2,0,0,0,0|2,0,0]=4 851 B13R1.49 O=CC1=C(O)C=CC(C(=O)CBr)=C1 B51280 [0,2,0,0,0,0|2,0,0]=4 852 B13R1.50 COC1=C(N)C=CC(S(C)(=O)=O)=C1 M38702 [0,2,0,0,0,0|2,0,0]=4 853 B13R1.298 COC1=C(O)C(O)=CC(C(=O)O)=C1 D60814 [0,2,0,0,0,0|0,0,0]=2 854 B13R1.354 CCCC1=C(F)C=CC(C(=O)O)=C1 F52640 [0,2,0,0,0,0|2,0,0]=4 855 B13R1.354 CCOC1=C(Br)C=CC([N+](=O)[O-])=C1 B48984 [0,2,0,0,0,0|2,0,0]=4 856 B13R1.354 CCOC1=C(F)C=CC(C(C)=O)=C1 E52646 [0,2,0,0,0,0|1,0,0]=3 857 B13R1.354 CCOC1=C(F)C=CC([N+](=O)[O-])=C1 E49008 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.354 COCC1=C(Cl)C=CC([N+](=O)[O-])=C1 C49005 [0,2,0,0,0,0|2,0,0]=4 859 B13R1.651 COC1=C(Cl)C=C(C)C([N+](=O)[O-])=C1 C49007 [0,2,0,0,0,0|2,0,0]=4 860 B13R1.651 COC1=C(Cl)C=C(F)C([N+](=O)[O-])=C1 C39070 [0,2,0,0,0,0|2,0,0]=4 861 B13R1.651 COC1=C(F)C=C(N)C(C(=O)O)=C1 A14713 [0,2,0,0,0,0|1,0,0]=3 862 B13R1.651 COC1=CC(C(=O)O)=C(F)C=C1N A49010 [0,2,0,0,0,0|1,0,0]=3 863 B13R1.651 COC1=CC(C(C)=O)=C(F)C=C1O F37559 [0,2,0,0,0,0|0,0,0]=2 864 B13R1.651 COC1=CC([N+](=O)[O-])=C(Br)C=C1F B45007 [0,2,0,0,0,0|2,0,0]=4 865 B13R1.651 COC1=CC([N+](=O)[O-])=C(F)C=C1N F45683 [0,2,0,0,0,0|2,0,0]=4 866 B13R1.651 COC1=CC([N+](=O)[O-])=C(N)C=C1C M46691 [0,2,0,0,0,0|2,0,0]=4 867 B13R1.3091 C#CC1=C(OC)C=C([N+](=O)[O-])C=C1 E51212 [0,2,0,0,0,0|2,0,0]=4 868 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 E62280 [0,2,0,0,0,0|1,0,0]=3 869 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 D2780 [0,2,0,0,0,0|1,0,1]=4 870 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 D67685 [0,2,0,0,0,0|0,0,0]=2 871 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D53151 [0,2,0,0,0,0|1,0,1]=4 872 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D54200 [0,2,0,0,0,0|1,0,1]=4 873 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 D49347 [0,2,0,0,0,0|1,0,0]=3 874 B13R1.3230 COC1=C(C)C(C(=O)O)=NC=C1C M14801 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.3230 COC1=C(F)C=CC(C(=O)O)=C1N A49009 [0,2,0,0,0,0|1,0,0]=3 876 B13R1.99 COC1=C(B(O)O)C=CC(C#N)=C1 C37172 [0,2,0,0,0,0|1,0,1]=4 877 B13R1.99 COC1=C(B(O)O)C=CC(C=O)=C1 F49418 [0,2,0,0,0,0|0,0,0]=2 878 B13R1.99 COC1=C(C(=O)O)C=CC(C#N)=C1 C51203 [0,2,0,0,0,0|1,0,1]=4 879 B13R1.99 COC1=C(C(F)F)C=CC(C=O)=C1 D51617 [0,2,0,0,0,0|1,0,0]=3 880 B13R1.99 COC1=C([N+](=O)[O-])C=CC(C=O)=C1 M48515 [0,2,0,0,0,0|0,0,1]=3 881 B13R1.99 COC1=CC(OC)=C(B(O)O)C=C1 D2720 [0,2,0,0,0,0|2,0,0]=4 882 B13R1.99 COC1=CC(OC)=C(C(=O)O)C=C1 D39540 [0,2,0,0,0,0|2,0,0]=4 883 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 E52560 [0,2,0,0,0,0|1,0,1]=4 884 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 E66599 [0,2,0,0,0,0|0,0,0]=2 885 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 M53149 [0,2,0,0,0,0|1,0,1]=4 886 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 D60599 [0,2,0,0,0,0|1,0,1]=4 887 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 D53095 [0,2,0,0,0,0|0,0,2]=4 888 B13R1.434 COC1=CC(C=O)=CC(Br)=C1OC B61946 [0,2,0,0,0,0|0,0,0]=2 889 B13R1.434 COC1=CC(C=O)=CC(I)=C1OC K52004 [0,2,0,0,0,0|0,0,0]=2 890 B13R1.1249 COC1=CC(OC)=C(CON)C=C1 D38297 [0,2,0,0,0,0|2,0,0]=4 891 B13R1.2200 COC1=C(OC)C=C(C#N)C(N)=C1 A68986 [0,2,0,0,0,0|1,0,1]=4 892 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC B39581 [0,2,0,0,0,0|0,0,0]=2 893 B13R1.2200 COC1=CC(Br)=C(OC)C=C1C=O B51974 [0,2,0,0,0,0|1,0,0]=3 894 B13R1.2200 COC1=CC(C=O)=C(OC)C=C1C D52836 [0,2,0,0,0,0|1,0,0]=3 895 B13R1.2200 COC1=CC(Cl)=C(OC)C=C1C=O C51989 [0,2,0,0,0,0|1,0,0]=3 896 B13R1.2200 COC1=CC(OC)=C(OC)C=C1N T50375 [0,2,0,0,0,0|2,0,0]=4 897 B13R1.2422 COC1=CC=C(C=O)C(Cl)=C1OC C51985 [0,2,0,0,0,0|0,0,0]=2 898 B13R1.2422 COC1=CC=C(C=O)C(F)=C1OC F51995 [0,2,0,0,0,0|0,0,0]=2 899 B13R1.2430 COC1=C(B(O)O)C=C(C=O)C=C1 F4100 [0,2,0,0,0,0|2,0,0]=4 900 B13R1.2430 COC1=C(C(=O)O)C=C(C=O)C=C1 M69846 [0,2,0,0,0,0|2,0,0]=4 901 B13R1.2430 COC1=C([N+](=O)[O-])C=C(C=O)C=C1 M48518 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.97 O=CC1=CC(OC(F)F)=C(F)C=C1 D47794 [0,2,0,0,0,0|1,0,0]=3 903 B13R1.97 O=CC1=CC(OC(F)F)=C(O)C=C1 D48230 [0,2,0,0,0,0|0,0,0]=2 904 B13R1.2431 COC(=O)C1=C(Br)C=CC(C=O)=C1 M51274 [0,2,0,0,0,0|1,0,0]=3 905 B13R1.2431 COC(=O)C1=C(O)C=CC(C=O)=C1 M64920 [0,2,0,0,0,0|0,0,0]=2 906 B13R1.2431 COC(=O)C1=C(O)C=CC(CO)=C1 M63336 [0,2,0,0,0,0|0,0,2]=4 907 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O B51977 [0,2,0,0,0,0|0,0,0]=2 908 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 F51997 [0,2,0,0,0,0|1,0,0]=3 909 B13R1.575 CCOCC1=CC(OC)=C(O)C=C1 E53096 [0,2,0,0,0,0|0,0,2]=4 910 B13R1.433 CCC1=CC(C=O)=CC(CC)=C1O D54775 [0,2,0,0,0,0|1,0,0]=3 911 B13R1.433 COC1=CC(C=O)=CC(OC)=C1C D52838 [0,2,0,0,0,0|1,0,0]=3 912 B13R1.433 COC1=CC(OC)=C(O)C(OC)=C1 T50304 [0,2,0,0,0,0|2,0,0]=4 913 B13R1.433 O=CC1=CC(C=O)=C(O)C(C=O)=C1 H62012 [0,2,0,0,0,0|2,0,0]=4 914 B13R1.437 O=CC1=CC([N+](=O)[O-])=C(O)C(O)=C1 D69504 [0,2,0,0,0,0|2,0,0]=4 915 B13R1.98 O=CC1=CC(C(F)(F)F)=C(O)C=C1 H47797 [0,2,0,0,0,0|2,0,0]=4 916 B13R1.2277 COC1=CC=C(O)C(OC)=C1OC T50303 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.23 COC(=O)C1=CC=CC(=O)N1 M38198 [0,0,1,1,0,0|2,0,0]=4 918 B11R1.44 COC(=O)C1=CC=C(C=O)N1 M45846 [0,0,1,1,0,0|2,0,0]=4 919 B11R1.44 COC(=O)C1=CC=C(C=O)S1 M67529 [0,0,1,1,0,0|1,1,0]=4 920 B11R2.36 BrC1=CC2=C(C=C1)CCO2 B48719 [1,0,0,1,0,0|2,0,0]=4 921 B11R2.36 BrC1=CC2=C(C=C1)OCC2 B24807 [1,0,0,1,0,0|2,0,0]=4 922 B11R2.36 BrC1=CC2=C(C=C1)OCO2 B68095 [1,0,0,1,0,0|1,0,0]=3 923 B11R2.36 CC1=CC2=C(C=C1)OCO2 M65617 [1,0,0,1,0,0|0,0,1]=3 924 B11R2.36 ClC1=CC2=C(C=C1)OCC2 C48731 [1,0,0,1,0,0|2,0,0]=4 925 B11R2.36 FC1=CC2=C(C=C1)OCC2 F62598 [1,0,0,1,0,0|2,0,0]=4 926 B11R2.36 IC1=CC2=C(C=C1)OCC2 I2714 [1,0,0,1,0,0|2,0,0]=4 927 B11R2.36 NC1=CC2=C(C=C1)OCC2 D49263 [1,0,0,1,0,0|2,0,0]=4 928 B11R2.36 NC1=CC2=C(C=C1)OCO2 M67396 [1,0,0,1,0,0|1,0,0]=3 929 B11R2.36 NC1=CC=C2OCOC2=N1 D60200 [1,0,0,1,0,0|2,0,0]=4 930 B11R2.36 OC1=CC2=C(C=C1)CCO2 D49068 [1,0,0,1,0,0|1,0,1]=4 931 B11R2.36 OC1=CC2=C(C=C1)OCC2 D49067 [1,0,0,1,0,0|1,0,1]=4 932 B11R2.36 [Mg+]C1=CC2=C(C=C1)OCO2 B31763 [1,0,0,1,0,0|1,0,0]=3 933 B11R2.190 C=CC1=CC2=C(C=C1)CC2 V52272 [1,0,0,1,0,0|2,0,0]=4 934 B11R2.190 O=CC1=CC2=C(C=C1)CC2 B51547 [1,0,0,1,0,0|1,0,0]=3 935 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 D65080 [0,1,0,1,0,0|1,0,0]=3 936 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M51629 [0,1,0,1,0,0|0,0,0]=2 937 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCC2 D51783 [0,1,0,1,0,0|1,0,0]=3 938 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 B20351 [0,1,0,1,0,0|1,0,1]=4 939 B13R2.430 O=C(O)C1=CC2=C(C=C1)NCC2 K51777 [0,1,0,1,0,0|2,0,0]=4 940 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 B50993 [0,1,0,1,0,0|1,0,1]=4 941 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 B20156 [0,1,0,1,0,0|1,0,1]=4 942 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 B48236 [0,1,0,1,0,0|0,0,0]=2 943 B13R2.430 O=C(O)C1=CC2=C(C=C1)ON=C2 B60088 [0,1,0,1,0,0|2,0,0]=4 944 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 B29936 [0,1,0,1,0,0|1,0,1]=4 945 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCC2 N48504 [0,1,0,1,0,0|2,0,0]=4 946 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCO2 N61948 [0,1,0,1,0,0|1,0,0]=3 947 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 M4360 [0,1,0,1,0,0|1,0,1]=4 948 B13R2.57 BrCC1=CC2=C(C=C1)OCCO2 B51912 [0,1,0,1,0,0|1,0,1]=4 949 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 C52424 [0,1,0,1,0,0|1,0,0]=3 950 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 D22898 [0,1,0,1,0,0|0,0,0]=2 951 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 D64008 [0,1,0,1,0,0|1,0,0]=3 952 B13R2.57 O=CC1=NC=C2OCCCC2=C1 D24093 [0,1,0,1,0,0|2,0,0]=4 953 B13R2.57 O=CC1=NC=C2OCCOC2=C1 D48507 [0,1,0,1,0,0|1,0,0]=3 954 B13R2.57 OCC1=CC2=C(C=C1)OCCO2 D49934 [0,1,0,1,0,0|0,0,2]=4 955 B13R2.669 CN1C=CC2=C1C=C(C=O)C=C2 M53910 [0,1,0,1,0,0|2,0,0]=4 956 B13R2.669 CN1N=CC2=C1C=C(C=O)C=C2 M3413 [0,1,0,1,0,0|2,0,0]=4 957 B13R2.2121 CC1=NC2=C(C=C(C=O)C=C2)O1 M51187 [0,1,0,1,0,0|1,0,0]=3 958 B13R2.2121 CN1C=C2C=C(C=O)C=CC2=N1 M14154 [0,1,0,1,0,0|2,0,0]=4 959 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 M14159 [0,1,0,1,0,0|2,0,0]=4 960 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 B61138 [0,1,0,1,0,0|1,0,1]=4 961 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 M69505 [0,1,0,1,0,0|1,0,1]=4 962 B13R2.599 CC1=C(CCl)C=C2OCOC2=C1 C65618 [0,1,0,1,0,0|1,0,1]=4 963 B13R2.599 COC1=C(Br)C=C2N=CNC2=C1 B37713 [0,1,0,1,0,0|2,0,0]=4 964 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 B29489 [0,1,0,1,0,0|2,0,0]=4 965 B13R2.599 COC1=C(Br)C=C2NN=CC2=C1 B10490 [0,1,0,1,0,0|2,0,0]=4 966 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 M16386 [0,1,0,1,0,0|2,0,0]=4 967 B13R2.599 COC1=C(Cl)C=C2NN=CC2=C1 C15385 [0,1,0,1,0,0|2,0,0]=4 968 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 F17561 [0,1,0,1,0,0|2,0,0]=4 969 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 F11096 [0,1,0,1,0,0|2,0,0]=4 970 B13R2.599 O=CC1=C(Br)C=C2OCOC2=C1 B47801 [0,1,0,1,0,0|0,0,0]=2 971 B13R2.599 OCC1=C(Br)C=C2OCOC2=C1 B48653 [0,1,0,1,0,0|0,0,2]=4 972 B13R2.84 O=CC1=C(Br)C2=C(C=C1)OCO2 B36840 [0,1,0,1,0,0|0,0,0]=2 973 B9R1.14 COC1=C(C=O)C=CS1 M29841 [1,0,0,0,1,0|1,0,0]=3 974 B9R1.14 COC1=C(C=O)OC=C1 M6472 [1,0,0,0,1,0|1,0,0]=3 975 B9R1.21 COC1=NC=C(C=O)S1 M40995 [1,0,0,0,1,0|2,0,0]=4 976 B9R1.23 CC1=C(Br)SC(C=O)=C1 B14087 [1,0,0,0,1,0|2,0,0]=4 977 B9R1.132 CC1=CNC(C=O)=C1C D12049 [1,0,0,0,1,0|2,0,0]=4 978 B11R1.265 COC1=C(Br)C=CC=C1C=O B48575 [0,0,0,0,1,1|1,0,0]=3 979 B11R1.265 COC1=C(Br)C=NC=C1C=O B45342 [0,0,0,0,1,1|1,0,0]=3 980 B11R1.265 COC1=C(C=O)C=CC=C1C M49886 [0,0,0,0,1,1|1,0,0]=3 981 B11R1.265 COC1=C(C=O)C=CC=C1O H62382 [0,0,0,0,1,1|0,0,0]=2 982 B11R1.265 COC1=C(Cl)C=CC=C1C=O C48597 [0,0,0,0,1,1|1,0,0]=3