0 B10R1.20 C#CC1=C(C=O)C=CC=C1 E67701 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.20 C#CC1=C(OC)C=CC=C1 E38630 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.20 C#CC1=CC=CN=C1OC E48442 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.20 C=CC1=C(C=O)C=CC=C1 V51543 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.20 C=CC1=C(CO)C=CC=C1 V49872 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.20 CCC1=NC=CN=C1OC E43629 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.20 CNC1=C(C=O)C=CC=C1 M49260 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.20 CNC1=C(C=O)C=CC=N1 M45978 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.20 CNC1=C(CO)C=CC=C1 M38311 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.20 CNC1=C(CO)C=CC=N1 M43647 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.20 CNC1=C(NC)C=CC=C1 D46973 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.20 COC1=C(C#N)C=CC=C1 M67889 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.20 COC1=C(C#N)C=CN=C1 M62177 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.20 COC1=C(C#N)C=NC=C1 M45212 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.20 COC1=C(C#N)N=CC=C1 M45211 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.20 COC1=C(C#N)N=CN=C1 M42476 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.20 COC1=C(C=O)C=CC=C1 A69129 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.20 COC1=C(C=O)C=CC=N1 M4987 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.20 COC1=C(C=O)C=CN=C1 M32191 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.20 COC1=C(C=O)C=NC=C1 M45822 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.20 COC1=C(CBr)C=CC=N1 B26711 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.20 COC1=C(CBr)C=CC=N1 B46181 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [0,0,0,0,0,0|1,0,1]=2 26 B10R1.20 COC1=C(CN)C=CN=C1 M46465 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.20 COC1=C(CN)N=CC=C1 M46464 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.20 COC1=C(CO)C=NC=C1 M46401 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.20 COC1=C(CO)N=CC=C1 M46400 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.20 COC1=C(OC)C=NC=C1 D37489 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.20 COC1=CC=CN=C1C=O M3691 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.20 COC1=CC=CN=C1OC D1095 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.20 COC1=CN=CN=C1OC D43216 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.20 COC1=CNC=NC1=NN H41211 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.20 COC1=NC=CC=C1C#N M12736 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.20 COC1=NC=CC=C1CN A12723 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.20 COC1=NC=CC=C1CN A7689 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.20 COC1=NC=CC=C1CO M12722 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.20 COC1=NC=CC=C1NN H43549 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.20 COC1=NC=CN=C1CN M43353 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.20 COC1=NC=CN=C1NN H41209 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.20 N#CC1=C(C#N)C=CC=C1 P68902 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.20 N#CC1=C(C=O)C=CC=C1 C38451 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.20 N#CC1=C(CBr)C=CC=C1 C39464 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.20 N#CC1=C(CN)C=CC=C1 A49610 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.20 N#CC1=C(CO)C=CC=C1 H36906 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.20 N#CC1=C(NN)C=CC=C1 H37662 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.20 NCC1=C(CO)C=CC=C1 A46911 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.20 O=CC1=C(C=O)C=CC=C1 B68577 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.20 OCC1=C(CBr)C=CC=C1 B39077 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.20 OCC1=C(CO)C=CC=C1 B60807 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.15 C#CC1=C(Br)C=CC=C1 B38613 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.15 C#CC1=C(Cl)C=CC=C1 C38576 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.15 C#CC1=C(F)C=CC=C1 E47539 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.15 C#CC1=C(N)C=CC=C1 E24087 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [1,0,0,0,0,0|0,0,2]=3 59 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.15 C=CC1=C(Cl)C=CC=C1 C48303 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.15 CC1=C(C#N)C=CC=N1 C10623 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.15 CC1=C(C#N)C=CN=C1 M14014 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.15 CC1=C(C#N)C=NC=C1 M14105 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.15 CC1=C(C=O)C=NC=C1 M1852 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.15 CC1=CC=CN=C1C#N M29764 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.15 CC1=CC=CN=C1C=O M1872 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.15 CC1=CC=CN=C1CN M46460 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.15 CC1=CC=CN=C1CO H46388 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.15 CC1=NC=CN=C1C=O M14617 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,0,0,0,0,0|0,0,2]=3 92 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [1,0,0,0,0,0|1,0,1]=3 96 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [1,0,0,0,0,0|1,0,1]=3 104 B9R1.15 CNC1=CC=CN=C1Cl C42994 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 CNC1=CC=CN=C1N M62813 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 CNC1=NC=CC=C1N M43341 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.15 COC1=C(Br)C=NC=N1 B40915 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.15 COC1=C(Cl)C=NC=N1 C37084 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.15 COC1=C(F)C=NC=N1 F61763 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.15 COC1=C(I)C=CC=C1 K68160 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.15 COC1=C(I)C=NC=C1 K42934 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.15 COC1=C(I)C=NC=N1 K40946 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.15 COC1=C(N)C=NC=C1 A43191 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.15 COC1=C(N)N=CN=C1 M24946 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [1,0,0,0,0,0|1,0,0]=2 125 B9R1.15 COC1=CC=CN=C1Br B4536 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.15 COC1=CC=CN=C1F F42924 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.15 COC1=CC=CN=C1I K62151 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.15 COC1=CN=CN=C1Cl C24945 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.15 COC1=CNC=NC1=O M41033 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.15 COC1=NC=CC=C1C M46378 [1,0,0,0,0,0|1,0,1]=3 132 B9R1.15 COC1=NC=CC=C1N A12743 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.15 COC1=NC=CN=C1Br B40912 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.15 COC1=NC=CN=C1C M39278 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.15 COC1=NC=CN=C1Cl C1053 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.15 COC1=NC=CN=C1I I3006 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.15 COC1=NC=CN=C1N M32096 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [1,0,0,0,0,0|2,1,0]=4 139 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [1,0,0,0,0,0|1,1,0]=3 140 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.15 N#CC1=C(Br)C=CC=C1 B67862 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.15 N#CC1=C(F)C=CC=C1 F68598 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.15 N#CC1=C(I)C=CC=C1 K44441 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.15 N#CC1=C(N)C=CC=C1 A68606 [1,0,0,0,0,0|2,0,1]=4 145 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [1,0,0,0,0,0|1,0,1]=3 146 B9R1.15 N#CC1=C(O)C=CC=N1 H26595 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.15 NC1=C(C=O)C=CC=N1 A25218 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.15 NC1=C(C=O)C=CN=C1 A12878 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.15 NC1=C(C=O)C=NC=C1 A9624 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [1,0,0,0,0,0|1,0,1]=3 158 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [1,0,0,0,0,0|1,0,1]=3 159 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.15 NNC1=C(Br)C=CC=C1 B39273 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.15 NNC1=C(Cl)C=CC=C1 C39274 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.15 NNC1=C(F)C=CC=C1 F39286 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.15 NNC1=C(I)C=CC=C1 K43028 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.15 O=CC1=C(Br)C=CC=N1 B23547 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.15 O=CC1=C(Br)C=NC=C1 B5403 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.15 O=CC1=C(Cl)C=CC=N1 C42298 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.15 O=CC1=C(Cl)C=CN=C1 C4985 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.15 O=CC1=C(Cl)C=NC=C1 C42297 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.15 O=CC1=C(F)C=CC=N1 F12613 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.15 O=CC1=C(F)C=NC=C1 F12612 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.15 O=CC1=C(O)C=NC=C1 H67691 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.15 O=CC1=CC=CN=C1Br B67403 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.15 O=CC1=CC=CN=C1Cl C3459 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.15 O=CC1=CC=CN=C1F F2386 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.15 O=CC1=CC=CNC1=O X42600 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.15 O=CC1=NC=CC=C1O H14795 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.37 C#CC1=C(C=O)C=CC(F)=C1 E50787 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.37 CC1=CC(C#N)=C(C=O)C=C1 F38380 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.37 CCC1=C(C=O)C=CC(Br)=C1 B37466 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 B50154 [0,1,0,0,0,0|0,0,2]=3 191 B11R1.37 COC1=C(C#N)C=C(Br)C=C1 B61484 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.37 COC1=C(C#N)C=C(C)C=C1 M24107 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.37 COC1=C(C#N)C=C(Cl)C=C1 C48087 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.37 COC1=C(C#N)C=C(N)C=C1 A48803 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 B38474 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.37 COC1=C(C#N)C=CC(C)=C1 M51760 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.37 COC1=C(C#N)C=CC(Cl)=N1 C32347 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.37 COC1=C(C#N)C=CC(F)=C1 F37947 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.37 COC1=C(C#N)C=CC(F)=N1 F44844 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.37 COC1=C(C#N)C=CC(N)=C1 A67804 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 B39487 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.37 COC1=C(C=O)C=C(C)C=C1 M65814 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 C48600 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.37 COC1=C(C=O)C=C(F)C=C1 F37864 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.37 COC1=C(C=O)C=C(O)C=C1 H49101 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 B48577 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.37 COC1=C(C=O)C=CC(Br)=N1 B61482 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.37 COC1=C(C=O)C=CC(C)=C1 M49887 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 C48598 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.37 COC1=C(C=O)C=CC(Cl)=N1 C45363 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.37 COC1=C(C=O)C=CC(F)=C1 F38615 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.37 COC1=C(C=O)C=CC(O)=C1 H68872 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.37 COC1=C(C=O)N=C(Br)C=C1 B45343 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.37 COC1=C(CBr)C=C(Br)C=C1 B49131 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.37 COC1=C(CBr)C=C(F)C=C1 B49141 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 B38655 [0,1,0,0,0,0|1,0,1]=3 217 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 B45872 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.37 COC1=C(CN)C=C(Br)C=C1 B38149 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 C46807 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.37 COC1=C(CN)C=C(N)C=C1 A49668 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46323 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46325 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.37 COC1=C(CN)C=CC(F)=C1 F46817 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.37 COC1=C(CO)C=C(Br)C=C1 B65332 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.37 COC1=C(CO)C=C(F)C=C1 F49396 [0,1,0,0,0,0|1,0,1]=3 226 B11R1.37 COC1=C(CO)C=CC(Br)=C1 B49376 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.37 COC1=C(CO)C=CC(Br)=N1 B46129 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.37 COC1=C(CO)C=CC(O)=C1 H4698 [0,1,0,0,0,0|1,0,1]=3 229 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 C46330 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.37 COC1=C(OC)C=C(Br)C=C1 B39520 [0,1,0,0,0,0|1,0,1]=3 231 B11R1.37 COC1=C(OC)C=C(F)C=C1 F49393 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.37 COC1=C(OC)C=C(I)C=C1 K49399 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.37 COC1=C(OC)C=C(N)C=C1 D39436 [0,1,0,0,0,0|1,0,1]=3 234 B11R1.37 COC1=C(OC)C=C([Mg+])C=C1 D31789 [0,1,0,0,0,0|1,0,1]=3 235 B11R1.37 COC1=C(OC)N=C(I)C=C1 K62513 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.37 COC1=CC(Br)=CN=C1C#N B44833 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.37 COC1=CC(Br)=CN=C1OC B46127 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.37 COC1=CC(Cl)=CN=C1C#N C29822 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.37 COC1=CC(Cl)=NC=C1C#N C44835 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.37 COC1=CC(Cl)=NC=C1C=O C45364 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.37 COC1=CC(Cl)=NC=C1CO C63126 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.37 COC1=CC=C(N)N=C1OC D43649 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.37 COC1=NC=C(Br)C=C1C#N B12773 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.37 COC1=NC=C(Br)C=C1C=O B12769 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.37 COC1=NC=C(Br)C=C1CN A10481 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.37 COC1=NC=C(Br)C=C1CO B12770 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.37 COC1=NC=C(F)C=C1C=O F45386 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.37 COC1=NC=C(F)C=C1CO F32261 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.37 N#CC1=C(C=O)C=C(Br)C=C1 B47435 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.37 N#CC1=C(C=O)C=C(F)C=C1 F47451 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.37 N#CC1=C(C=O)C=CC(Br)=C1 B47432 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.37 N#CC1=C(C=O)C=CC(Cl)=C1 C47443 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.37 N#CC1=C(C=O)C=CC(F)=C1 C47446 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.41 CCOC1=C(C=O)C=NC=C1 E49273 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [0,1,0,0,0,0|0,0,2]=3 257 B11R1.41 COC1=C(CC#N)C=CC=C1 M62292 [0,1,0,0,0,0|0,0,2]=3 258 B11R1.41 COC1=C(CCBr)C=CC=C1 B50155 [0,1,0,0,0,0|0,0,2]=3 259 B11R1.41 COC1=C(CCN)C=CC=C1 M66296 [0,1,0,0,0,0|0,0,2]=3 260 B11R1.41 COC1=C(CCO)C=CC=C1 M50284 [0,1,0,0,0,0|0,0,2]=3 261 B11R1.41 COC1=C(CNN)C=CC=C1 M12218 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.41 N#CC1=C(CCBr)C=CC=C1 B51450 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.41 N#CCC1=C(C=O)C=CC=C1 F37431 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.41 O=CC1=C(CCBr)C=CC=C1 B52025 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 E36717 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.53 C=CC1=C(B(O)O)C=CC=C1 V5638 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 A26401 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 B11974 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.53 CCC1=C(B(O)O)C=CC=C1 E3120 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 E49881 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 E49269 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 E49275 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 E49270 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 M38276 [0,1,0,0,0,0|1,0,1]=3 275 B11R1.53 CNC1=C([N+](=O)[O-])C=CC=C1 M60711 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.53 COC1=C(B(O)O)C=CC=C1 M4260 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.53 COC1=C(B(O)O)C=CN=C1 M15971 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.53 COC1=C(C(=O)O)C=CC=N1 M12720 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.53 COC1=C(C(=O)O)C=NC=C1 M45835 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.53 COC1=C(C(=O)O)C=NC=N1 M25068 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.53 COC1=C(C(C)=O)C=CC=N1 M49287 [0,1,0,0,0,0|1,0,1]=3 282 B11R1.53 COC1=C(C(C)=O)C=CN=C1 M49288 [0,1,0,0,0,0|1,0,1]=3 283 B11R1.53 COC1=C(C(C)=O)C=NC=C1 M29754 [0,1,0,0,0,0|1,0,1]=3 284 B11R1.53 COC1=C(C(N)=O)C=CC=C1 M60565 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M50344 [0,1,0,0,0,0|0,0,2]=3 286 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M60510 [0,1,0,0,0,0|0,0,2]=3 287 B11R1.53 COC1=C([N+](=O)[O-])C=CC=N1 M42782 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 M3151 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.53 COC1=CC=CN=C1C(=O)O M45833 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.53 COC1=CC=CN=C1C(C)=O M27805 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] M39264 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.53 COC1=NC=CC=C1B(O)O M4310 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.53 COC1=NC=CN=C1C(=O)O M42787 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.53 CSC1=C(B(O)O)C=CC=C1 M4620 [0,1,0,0,0,0|2,1,0]=4 295 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 M69034 [0,1,0,0,0,0|1,1,0]=3 296 B11R1.53 CSC1=C([N+](=O)[O-])C=CC=C1 M45826 [0,1,0,0,0,0|2,1,0]=4 297 B11R1.53 CSC1=NC=CC=C1C(=O)O M62219 [0,1,0,0,0,0|2,1,0]=4 298 B11R1.53 C[C@H](O)C1=C(C#N)C=CC=C1 H51759 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 H46555 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 C48588 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 H49093 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.265 CNC1=CC=CC(F)=C1C#N F66749 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.265 COC1=C(Br)C=CC=C1C#N B48069 [0,1,0,0,0,0|1,0,1]=3 304 B11R1.265 COC1=C(Br)C=CC=C1C=O B48575 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.265 COC1=C(Br)C=NC=C1C=O B45342 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.265 COC1=C(C#N)C(=O)NC=C1 M45232 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.265 COC1=C(C#N)C(C)=CC=C1 M51761 [0,1,0,0,0,0|1,0,1]=3 308 B11R1.265 COC1=C(C#N)C(Cl)=NC=C1 C64857 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.265 COC1=C(C#N)C(N)=CC=C1 A48799 [0,1,0,0,0,0|1,0,1]=3 310 B11R1.265 COC1=C(C=O)C(C)=CC=C1 M24211 [0,1,0,0,0,0|1,0,0]=2 311 B11R1.265 COC1=C(C=O)C(Cl)=NC=C1 C39019 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.265 COC1=C(C=O)C(O)=CC=C1 H49100 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.265 COC1=C(C=O)C=CC=C1C M49886 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.265 COC1=C(C=O)C=CC=C1O H62382 [0,1,0,0,0,0|1,0,0]=2 315 B11R1.265 COC1=C(Cl)C=CC=C1C=O C48597 [0,1,0,0,0,0|1,0,0]=2 316 B11R1.265 COC1=C(F)C=CC=C1C#N F63472 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.265 COC1=C(F)C=CC=C1CO F49395 [0,1,0,0,0,0|1,0,1]=3 318 B11R1.265 COC1=C(OC)C(C)=CC=C1 D67105 [0,1,0,0,0,0|1,0,1]=3 319 B11R1.265 COC1=C(OC)C(C)=NC=C1 D46919 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.265 COC1=CC=CC(Br)=C1C#N B48068 [0,1,0,0,0,0|1,0,1]=3 321 B11R1.265 COC1=CC=CC(Br)=C1C=O B48574 [0,1,0,0,0,0|1,0,0]=2 322 B11R1.265 COC1=CC=CC(Br)=C1OC B32213 [0,1,0,0,0,0|1,0,1]=3 323 B11R1.265 COC1=CC=CC(Cl)=C1C=O C48596 [0,1,0,0,0,0|1,0,0]=2 324 B11R1.265 COC1=CC=CC(F)=C1C#N F39470 [0,1,0,0,0,0|1,0,1]=3 325 B11R1.265 COC1=CC=CC(F)=C1C=O F48619 [0,1,0,0,0,0|1,0,0]=2 326 B11R1.265 COC1=CC=CC(F)=C1CN F46815 [0,1,0,0,0,0|1,0,1]=3 327 B11R1.265 COC1=CC=CC(F)=C1CN F49513 [0,1,0,0,0,0|1,0,1]=3 328 B11R1.265 COC1=CN=CC(F)=C1C=O F45385 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.265 COC1=NC=CC(Br)=C1C=O B37130 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.265 COC1=NC=CC(Cl)=C1C=O C45362 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.265 COC1=NC=CC(I)=C1C=O K45402 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.265 N#CC1=C(Br)C=CC=C1C=O B47433 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.265 N#CC1=C(Cl)C=CC=C1C=O C47440 [0,1,0,0,0,0|3,0,0]=4 334 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [0,0,0,1,0,0|1,0,1]=3 335 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [0,0,0,1,0,0|1,1,1]=4 336 B11R2.1 BrC1=NNC2=C1C=CC=C2 B0436 [0,0,0,1,0,0|3,0,0]=4 337 B11R2.1 BrC1=NOC2=C1C=CC=N2 B41851 [0,0,0,1,0,0|3,0,0]=4 338 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,0,0,1,0,0|1,0,1]=3 339 B11R2.1 CC1=CN=C2C=CC=CN12 M0025 [0,0,0,1,0,0|3,0,0]=4 340 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [0,0,0,1,0,0|2,0,0]=3 341 B11R2.1 CC1=CNC2=C1C=NC=C2 M22503 [0,0,0,1,0,0|3,0,0]=4 342 B11R2.1 CC1=CNC2=NC=CC=C12 M7858 [0,0,0,1,0,0|3,0,0]=4 343 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [0,0,0,1,0,0|2,0,1]=4 344 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [0,0,0,1,0,0|1,0,1]=3 345 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [0,0,0,1,0,0|1,0,0]=2 346 B11R2.1 CN1C=CC2=NC=CC=C21 M36638 [0,0,0,1,0,0|2,0,0]=3 347 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [0,0,0,1,0,0|2,0,0]=3 348 B11R2.1 CN1N=CC2=C1C=CC=C2 M14463 [0,0,0,1,0,0|2,0,0]=3 349 B11R2.1 ClC1=NNC2=C1C=CC=C2 C44767 [0,0,0,1,0,0|3,0,0]=4 350 B11R2.1 ClC1=NOC2=C1C=CC=C2 C44531 [0,0,0,1,0,0|2,0,0]=3 351 B11R2.1 ClC1=NOC2=CC=CN=C21 C41855 [0,0,0,1,0,0|3,0,0]=4 352 B11R2.1 ClC1=NSC2=C1C=CC=C2 C25325 [0,0,0,1,0,0|2,1,0]=4 353 B11R2.1 FC1=NNC2=C1C=CC=C2 F39022 [0,0,0,1,0,0|3,0,0]=4 354 B11R2.1 IC1=NNC2=C1C=CC=C2 X9686 [0,0,0,1,0,0|3,0,0]=4 355 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [0,0,0,1,0,0|3,0,0]=4 356 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [0,0,0,1,0,0|3,0,0]=4 357 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [0,0,0,1,0,0|2,0,0]=3 358 B11R2.1 NC1=NOC2=C1C=CN=C2 K42473 [0,0,0,1,0,0|3,0,0]=4 359 B11R2.1 NC1=NOC2=C1N=CC=C2 A11385 [0,0,0,1,0,0|3,0,0]=4 360 B11R2.1 NC1=NOC2=NC=CC=C12 K42472 [0,0,0,1,0,0|3,0,0]=4 361 B11R2.1 NC1=NSC2=C1C=CC=C2 B69175 [0,0,0,1,0,0|2,1,0]=4 362 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [0,0,0,1,0,0|2,0,0]=3 363 B11R2.1 NN1N=CC2=C1C=CC=C2 K45720 [0,0,0,1,0,0|3,0,0]=4 364 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,0,0,1,0,0|2,0,1]=4 365 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,0,0,1,0,0|2,0,1]=4 366 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,0,0,1,0,0|2,0,1]=4 367 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [0,0,0,1,0,0|2,0,1]=4 368 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,0,0,1,0,0|3,0,0]=4 369 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,0,0,1,0,0|3,0,0]=4 370 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,0,0,1,0,0|3,0,0]=4 371 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,0,0,1,0,0|3,0,0]=4 372 B11R2.1 O=C1COC2=C1C=CN=C2 F37015 [0,0,0,1,0,0|2,0,0]=3 373 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,0,0,1,0,0|3,0,0]=4 374 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [0,0,0,1,0,0|2,1,0]=4 375 B11R2.1 OC1=COC2=C1N=CC=C2 F32399 [0,0,0,1,0,0|2,0,1]=4 376 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,0,0,1,0,0|2,0,1]=4 377 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,0,0,1,0,0|2,0,1]=4 378 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,0,0,1,0,0|2,0,1]=4 379 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,0,0,1,0,0|2,0,1]=4 380 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,0,0,1,0,0|1,0,2]=4 381 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [0,0,0,1,0,0|2,0,1]=4 382 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,0,0,1,0,0|0,0,2]=3 383 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,0,0,1,0,0|1,0,1]=3 384 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [0,0,0,1,0,0|1,1,1]=4 385 B11R2.20 C1=CC2=C(N=C1)NCCO2 D45987 [0,0,0,1,0,0|2,0,1]=4 386 B11R2.20 C1=CC2=CN=CC=C2N=C1 N68351 [0,0,0,1,0,0|2,0,1]=4 387 B11R2.20 C1=CC=C2C=NC=CC2=C1 Q68586 [0,0,0,1,0,0|2,0,0]=3 388 B11R2.20 C1=CC=C2N=CC=NC2=C1 Q69216 [0,0,0,1,0,0|2,0,1]=4 389 B11R2.20 C1=CN=C2C=CC=NC2=C1 N47854 [0,0,0,1,0,0|2,0,1]=4 390 B11R2.20 C1=CN=C2N=CC=CC2=C1 D38003 [0,0,0,1,0,0|2,0,1]=4 391 B11R2.20 C1=CN=C2OCCNC2=C1 D13943 [0,0,0,1,0,0|2,0,1]=4 392 B11R2.20 C1=CN=C2OCCOC2=C1 D32153 [0,0,0,1,0,0|2,0,1]=4 393 B9R1.14 COC1=C(C=O)C=CS1 M29841 [0,0,0,0,1,0|2,0,0]=3 394 B9R1.14 COC1=C(C=O)OC=C1 M6472 [0,0,0,0,1,0|2,0,0]=3 395 B9R1.14 COC1=CSC=C1OC D38623 [0,0,0,0,1,0|2,0,1]=4 396 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|1,0,0]=3 399 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.2 COC1=CN=NC=C1 M41023 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|1,0,0]=3 402 B8R1.2 COC1=NC=CN=C1 M2768 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.2 COC1=NN=CC=C1 M41021 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|1,0,0]=3 406 B8R1.2 O=CC1=CC=NC=C1 P42598 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.2 O=CC1=CN=CC=C1 P13753 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.2 O=CC1=NC=CC=C1 P67836 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.5 BrC1=C(I)C=CC=C1 B38417 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.5 CC1=C(Br)C=CN=C1 B10400 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.5 CC1=C(Br)C=NC=C1 B3515 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.5 CC1=C(Cl)C=CN=C1 C68326 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.5 CC1=C(Cl)C=NC=C1 C42844 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.5 CC1=C(F)C=CC=N1 F69193 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.5 CC1=C(F)C=CN=C1 F43525 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.5 CC1=C(F)C=NC=C1 F3668 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.5 CC1=C(I)C=CC=C1 K67847 [2,0,0,0,0,0|1,0,0]=3 421 B8R1.5 CC1=C(N)C=CN=C1 A4667 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.5 CC1=C(N)C=NC=C1 A14314 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.5 CC1=C(O)C=CC=N1 H10468 [2,0,0,0,0,0|1,0,1]=4 424 B8R1.5 CC1=C(O)C=CN=C1 M43132 [2,0,0,0,0,0|1,0,1]=4 425 B8R1.5 CC1=C(O)C=NC=C1 H12910 [2,0,0,0,0,0|1,0,1]=4 426 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [2,0,0,0,0,0|1,0,0]=3 427 B8R1.5 CC1=CC=CN=C1Br B13771 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.5 CC1=CC=CN=C1C L68373 [2,0,0,0,0,0|1,0,1]=4 429 B8R1.5 CC1=CC=CN=C1Cl C21969 [2,0,0,0,0,0|2,0,0]=4 430 B8R1.5 CC1=CC=CN=C1F F42847 [2,0,0,0,0,0|2,0,0]=4 431 B8R1.5 CC1=CC=CN=C1N M20541 [2,0,0,0,0,0|2,0,0]=4 432 B8R1.5 CC1=CC=CNC1=O M68618 [2,0,0,0,0,0|2,0,0]=4 433 B8R1.5 CN1C=CC=CC1=O M62252 [2,0,0,0,0,0|2,0,0]=4 434 B8R1.5 C[N+]1=C(Cl)C=CC=C1 C39196 [2,0,0,0,0,0|2,0,0]=4 435 B8R1.5 ClC1=C(Br)C=CC=C1 B67579 [2,0,0,0,0,0|2,0,0]=4 436 B8R1.5 ClC1=C(I)C=CC=C1 C39233 [2,0,0,0,0,0|2,0,0]=4 437 B8R1.5 FC1=C(Br)C=CC=C1 B42063 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.5 IC1=C(I)C=CC=C1 D38439 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.5 NC1=C(F)C=CC=C1 F66698 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.5 NC1=C(I)C=CC=C1 K67831 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.5 NC1=C(O)C=CC=N1 A31053 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.5 NC1=C(O)C=CN=C1 A4768 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.5 NC1=C(O)C=NC=C1 A38212 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.5 NC1=C(O)C=NC=C1 A62454 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.5 NC1=CC=CN=C1O A0666 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.5 O=C1C=COC=C1O H23906 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.5 O=C1OC=CC=C1O H39075 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.5 OC1=C(Br)C=CN=C1 B37993 [2,0,0,0,0,0|2,0,0]=4 449 B8R1.5 OC1=C(Cl)C=CC=N1 C40847 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.5 OC1=C(Cl)C=CN=C1 C36961 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.5 OC1=C(Cl)C=NC=C1 C39064 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.5 OC1=C(F)C=CC=C1 F60817 [2,0,0,0,0,0|1,0,0]=3 453 B8R1.5 OC1=C(F)C=CC=N1 F40853 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.5 OC1=C(F)C=NC=C1 F22449 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.5 OC1=C(I)C=CC=C1 K68101 [2,0,0,0,0,0|1,0,0]=3 456 B8R1.5 OC1=C(I)C=CC=N1 K40856 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.5 OC1=C(I)C=CN=C1 I38060 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.5 OC1=C(I)C=NC=C1 K40857 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.5 OC1=CC=CN=C1Br B12744 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.5 OC1=CC=CN=C1Cl C10469 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.5 OC1=CC=CN=C1F F40850 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.5 OC1=CC=CN=C1I H23528 [2,0,0,0,0,0|2,0,0]=4 463 B10R1.2 CC1=C(Br)C=CC=C1C#N B47948 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.2 CC1=C(Br)C=CC=C1C=O B48713 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.2 CC1=C(Br)C=CC=C1CO B36982 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.2 CC1=C(Br)C=NC=C1C=O B45473 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.2 CC1=C(C=O)C=CC=C1O H49071 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.2 CC1=C(C=O)C=CN=C1Cl C45488 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.2 CC1=C(Cl)C=CC=C1C#N C47962 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.2 CC1=C(F)C=CC=C1C#N F47975 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.2 CC1=C(F)C=CC=C1C=O F48740 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.2 CC1=C(O)C=CC=C1C#N H48446 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.2 CC1=CC=CC(C#N)=C1C D51672 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.2 CC1=CC=CC(C#N)=C1O H63985 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.2 CC1=CC=CC(C=O)=C1Br B37238 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.2 CC1=CC=CC(C=O)=C1C D49873 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.2 CC1=CC=CC(C=O)=C1O M49066 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.2 CC1=CC=CC(CBr)=C1C B49965 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.2 CC1=CC=CC(CN)=C1O A49525 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.2 CC1=CC=CC(CO)=C1C D50272 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.2 CNC1=C(N)C(C)=CC=C1 D46971 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.2 COC1=C(Br)C(C)=CC=C1 B49438 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.2 COC1=C(Br)C(C)=CC=N1 B12856 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 B17527 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.2 COC1=C(Br)C(N)=CC=C1 B46150 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.2 COC1=C(Br)C(N)=CC=N1 B11303 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.2 COC1=C(Br)C(O)=CC=C1 B37391 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.2 COC1=C(C)C(C)=CC=C1 M50276 [1,1,0,0,0,0|0,0,1]=3 489 B10R1.2 COC1=C(C)C(N)=CC=C1 M46898 [1,1,0,0,0,0|0,0,1]=3 490 B10R1.2 COC1=C(C)C(N)=CC=C1 M49523 [1,1,0,0,0,0|0,0,1]=3 491 B10R1.2 COC1=C(C)C(N)=CN=C1 M43640 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C15640 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C64073 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.2 COC1=C(Cl)C(O)=CC=C1 C38626 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.2 COC1=C(F)C(Br)=NC=C1 B37230 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.2 COC1=C(F)C(N)=CC=C1 F36888 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.2 COC1=C(I)C(N)=CC=C1 K46227 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.2 COC1=C(N)C(Br)=NC=C1 B43052 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.2 COC1=C(N)C(C)=CC=C1 M46896 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.2 COC1=C(N)C(N)=CC=C1 M36728 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.2 COC1=C(N)C(O)=CC=C1 A46392 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.2 COC1=C(O)C(C)=CC=C1 M46825 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.2 COC1=C(O)C(N)=CC=C1 A46577 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.2 COC1=CC=CC(Br)=C1Br D45548 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.2 COC1=CC=CC(Br)=C1C B49435 [1,1,0,0,0,0|0,0,1]=3 506 B10R1.2 COC1=CC=CC(Br)=C1Cl B45552 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.2 COC1=CC=CC(Br)=C1F B45572 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.2 COC1=CC=CC(Br)=C1I B45581 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.2 COC1=CC=CC(Br)=C1N B36703 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.2 COC1=CC=CC(Br)=C1O B1786 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.2 COC1=CC=CC(Cl)=C1Cl D39394 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.2 COC1=CC=CC(Cl)=C1F C45598 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.2 COC1=CC=CC(Cl)=C1N C46186 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.2 COC1=CC=CC(F)=C1Br B45576 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.2 COC1=CC=CC(F)=C1F D45604 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.2 COC1=CC=CC(F)=C1N F38548 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.2 COC1=CC=CC(F)=C1O F45916 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.2 COC1=CC=CC(I)=C1Br B63575 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.2 COC1=CC=CC(I)=C1O K45923 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.2 COC1=CC=NC(Cl)=C1Br B42642 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.2 COC1=CC=NC(Cl)=C1I C42673 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.2 COC1=NC=CC(Br)=C1C B46170 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.2 COC1=NC=CC(Cl)=C1F C42669 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.2 N#CC1=CC=CC(Br)=C1O B10619 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.2 N#CC1=CC=CC(F)=C1O F44545 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.2 N#CC1=CC=CC(O)=C1O D69156 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.2 NC1=C(Br)C=CC=C1C=O A37975 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.2 NC1=C(Cl)C=CC=C1C=O A45479 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.2 NC1=C(F)C=CC=C1C=O A45494 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.2 O=CC1=C(O)C(O)=CC=C1 D67865 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.2 O=CC1=CC=CC(Br)=C1Br D44631 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.2 O=CC1=CC=CC(Br)=C1Cl B44638 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.2 O=CC1=CC=CC(Br)=C1F B20106 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.2 O=CC1=CC=CC(Br)=C1O B9977 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.2 O=CC1=CC=CC(Cl)=C1Br B38610 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.2 O=CC1=CC=CC(Cl)=C1Cl D69137 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.2 O=CC1=CC=CC(Cl)=C1F C44664 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.2 O=CC1=CC=CC(Cl)=C1O C45091 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.2 O=CC1=CC=CC(F)=C1Br B44644 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.2 O=CC1=CC=CC(F)=C1Cl C44662 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.2 O=CC1=CC=CC(F)=C1F D28638 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.2 O=CC1=CC=CC(F)=C1O F45096 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.2 O=CC1=CC=CC(O)=C1Br B45081 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.2 O=CC1=CC=CC(O)=C1Cl C45088 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.2 O=CC1=CC=CC(O)=C1F F45097 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,1,0,0,0,0|0,0,2]=4 547 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|0,0,2]=4 548 B10R1.4 CC1=C(N=C=S)C=CC=C1 M60893 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.4 CCOC1=CC=CNC1=O E46398 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [1,1,0,0,0,0|1,1,0]=4 555 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|0,0,2]=4 557 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,1,0,0,0,0|0,0,2]=4 564 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.25 CC1=C(C#N)C=CC(Br)=C1 B47950 [1,1,0,0,0,0|1,0,1]=4 570 B10R1.25 CC1=C(C#N)C=CC(Cl)=C1 C47964 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.25 CC1=C(C#N)C=CC(F)=C1 F47978 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.25 CC1=C(C#N)C=CC(N)=C1 A38779 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.25 CC1=C(C#N)C=CC(O)=C1 H48449 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 B48716 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 C23512 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.25 CC1=C(C=O)C=CC(Cl)=N1 C45486 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.25 CC1=C(C=O)C=CC(F)=C1 F48741 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.25 CC1=C(C=O)C=CC(F)=N1 F45499 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.25 CC1=C(C=O)C=CC(O)=C1 H49073 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 B48758 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.25 CC1=C(CF)C=CC(Br)=C1 B48770 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46736 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46744 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.25 CC1=C(CO)C=CC(Br)=C1 B61046 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.25 CC1=C(CO)C=CC(N)=C1 A39080 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.25 CC1=C(NN)C=CC(F)=C1 F46564 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 B48711 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.25 CC1=CC(Br)=CN=C1C=O B61323 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.25 CC1=CC(Br)=NC=C1C=O B45475 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.25 CC1=CC(C)=C(C=O)C=C1 D49874 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.25 CC1=CC(C)=C(C=O)C=N1 D49261 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.25 CC1=CC(C)=C(NN)C=C1 D49534 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 C48726 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.25 CC1=CC(Cl)=NC=C1C=O C45487 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.25 CC1=CC(F)=C(C=O)C=C1 F48737 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.25 CC1=CC(O)=C(C#N)C=C1 H48444 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.25 CC1=CC(O)=C(C=O)C=C1 H38560 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 C46746 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.25 CCC1=C(F)C=C(O)C=C1 E65621 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.25 CCC1=C(N)C=C(Br)C=C1 B46721 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C46745 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.25 CNC1=C(Br)C=C(C)C=C1 B46730 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.25 CNC1=C(N)C=C(Br)C=C1 B46287 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.25 CNC1=C(N)C=C(Cl)C=C1 C46303 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.25 COC1=C(Br)C=C(Br)C=N1 D42633 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 B39392 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.25 COC1=C(Br)C=C(Cl)C=N1 B16110 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.25 COC1=C(Br)C=C(Cl)N=C1 B42645 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.25 COC1=C(Br)C=C(F)C=C1 B39393 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.25 COC1=C(Br)C=C(F)C=N1 B42652 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 COC1=C(Br)C=C(F)N=C1 B37314 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.25 COC1=C(Br)C=C(I)C=C1 B45584 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.25 COC1=C(Br)C=C(N)C=C1 B46154 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.25 COC1=C(Br)C=C(N)C=N1 B43055 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.25 COC1=C(Br)C=C(O)C=C1 B45899 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.25 COC1=C(Br)C=C(O)C=N1 B42852 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.25 COC1=C(Br)N=C(I)C=C1 B36842 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 COC1=C(C)C=C(Br)C=C1 B49440 [1,1,0,0,0,0|0,0,1]=3 622 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [1,1,0,0,0,0|0,0,1]=3 623 B10R1.25 COC1=C(C)C=C(F)C=C1 F49467 [1,1,0,0,0,0|0,0,1]=3 624 B10R1.25 COC1=C(C)C=C(I)C=C1 K49474 [1,1,0,0,0,0|0,0,1]=3 625 B10R1.25 COC1=C(C)C=C(N)C=C1 M46909 [1,1,0,0,0,0|0,0,1]=3 626 B10R1.25 COC1=C(C)C=C(O)C=C1 M38275 [1,1,0,0,0,0|0,0,1]=3 627 B10R1.25 COC1=C(C)C=C([Mg+])C=C1 M31769 [1,1,0,0,0,0|0,0,1]=3 628 B10R1.25 COC1=C(C)N=C(Br)C=C1 B46175 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 B45564 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C46202 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 COC1=C(Cl)C=C(N)C=N1 C43070 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.25 COC1=C(Cl)C=C(N)N=C1 C10605 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.25 COC1=C(F)C=C(Br)C=C1 B13752 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.25 COC1=C(F)C=C(I)C=C1 F45610 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.25 COC1=C(F)C=C(N)C=C1 F38501 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.25 COC1=C(F)C=C(N)C=N1 A43085 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 COC1=C(F)C=C(O)C=C1 F23734 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.25 COC1=C(F)C=C([Mg+])C=C1 F31773 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.25 COC1=C(I)C=C(Br)C=C1 B38589 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.25 COC1=C(I)C=C(Br)C=N1 B42657 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.25 COC1=C(I)C=C(C)C=C1 K62337 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.25 COC1=C(I)C=C(Cl)C=C1 C45602 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.25 COC1=C(I)C=C(N)C=C1 K46229 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.25 COC1=C(I)C=C(N)C=C1 K46231 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.25 COC1=C(N)C=C(Br)C=C1 B46157 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.25 COC1=C(N)C=C(F)C=C1 F46211 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.25 COC1=C(N)C=C(I)C=C1 A46224 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.25 COC1=C(N)N=C(Br)C=C1 B36893 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.25 COC1=C(N)N=C(F)C=C1 F43084 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.25 COC1=C(O)C=C(Br)C=C1 B37821 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.25 COC1=C(O)C=C(F)C=C1 F45919 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.25 COC1=C(O)C=C(N)C=C1 A46397 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.25 COC1=C(O)C=C(O)C=C1 M61053 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.25 COC1=C([Mg+])C=C(C)C=C1 M31765 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.25 COC1=C([Mg+])C=C(Cl)C=C1 C31793 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.25 COC1=C([Mg+])C=C(F)C=C1 F31774 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.25 COC1=CC=C(Br)N=C1Br D42631 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.25 COC1=CC=C(C)N=C1Cl C46200 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.25 COC1=CC=C(Cl)N=C1Br B42641 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.25 COC1=CC=C(N)N=C1Cl C10744 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 COC1=CN=C(Br)C=C1N B62821 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.25 COC1=CN=C(Cl)C=C1N C43069 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 COC1=NC=C(Br)C=C1C B46172 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.25 COC1=NC=C(Br)C=C1Cl B42648 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 COC1=NC=C(Br)C=C1F B42654 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.25 COC1=NC=C(Br)C=C1N B7645 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.25 COC1=NC=C(Br)C=C1O B10651 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 COC1=NC=C(Cl)C=C1F C69055 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.25 COC1=NC=C(F)C=C1C F46221 [1,1,0,0,0,0|1,0,1]=4 671 B10R1.25 COC1=NC=C(F)C=C1N F37439 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.25 COC1=NC=C(N)C=C1C M43642 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.25 N#CC1=C(O)C=C(Br)C=C1 B36608 [1,1,0,0,0,0|1,0,1]=4 674 B10R1.25 N#CC1=C(O)C=C(Cl)C=C1 C44534 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.25 N#CC1=C(O)C=C(F)C=C1 F44548 [1,1,0,0,0,0|1,0,1]=4 676 B10R1.25 N#CC1=C(O)C=C(O)C=C1 D24706 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 A45469 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.25 NC1=C(C=O)C=CC(Cl)=C1 A45480 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.25 NC1=C(C=O)C=CC(F)=C1 A61199 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.25 NC1=CC(N)=C(C=O)C=C1 D45975 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.25 NCC1=C(O)C=C(Br)C=C1 A46159 [1,1,0,0,0,0|1,0,1]=4 682 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 D44632 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 B7860 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 B39342 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 B67802 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 B37795 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 C44637 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 D69004 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 C39345 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 C45089 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 B24366 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 C38438 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.25 O=CC1=C(F)C=C(F)C=C1 D44675 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.25 O=CC1=C(F)C=C(I)C=C1 F44686 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 O=CC1=C(F)C=C(O)C=C1 F45098 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.25 O=CC1=C(I)C=C(Br)C=C1 B44660 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.25 O=CC1=C(I)C=C(O)C=C1 H69541 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 C45094 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.25 O=CC1=C(O)C=C(F)C=C1 F23204 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.25 O=CC1=C(O)C=C(O)C=C1 D67877 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.25 OCC1=C(O)C=C(Br)C=C1 B38232 [1,1,0,0,0,0|1,0,1]=4 702 B10R1.30 CC1=C(C#N)C=C(Br)C=C1 B47952 [1,1,0,0,0,0|1,0,1]=4 703 B10R1.30 CC1=C(C#N)C=C(F)C=C1 F47980 [1,1,0,0,0,0|1,0,1]=4 704 B10R1.30 CC1=C(C#N)C=C(I)C=C1 K47986 [1,1,0,0,0,0|1,0,1]=4 705 B10R1.30 CC1=C(C#N)C=C(N)C=C1 A48785 [1,1,0,0,0,0|1,0,1]=4 706 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 B48718 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.30 CC1=C(C=O)C=C(F)C=C1 F48743 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.30 CC1=C(CBr)C=C(F)C=C1 B48769 [1,1,0,0,0,0|1,0,1]=4 709 B10R1.30 CC1=C(CO)C=C(Br)C=C1 B67343 [1,1,0,0,0,0|1,0,1]=4 710 B10R1.30 CC1=C(CO)C=C(I)C=C1 K49473 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.30 CC1=C(NN)C=C(Br)C=C1 B62458 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 C46308 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.30 CC1=CC(C#N)=C(O)C=C1 H63627 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 B48712 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.30 CC1=CC(C=O)=C(C)C=C1 D38715 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.30 CC1=CC(C=O)=C(Cl)C=C1 C48727 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.30 CC1=CC(C=O)=C(F)C=C1 F48738 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.30 CC1=CC(C=O)=C(O)C=C1 H49070 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.30 CC1=CC(NN)=C(C)C=C1 D49535 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.30 CCC1=C(F)C=CC(Br)=C1 B48764 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.30 CCC1=C(N)C=CC(Br)=C1 B66403 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.30 CCC1=C(N)C=CC(Cl)=C1 C46752 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.30 CNC1=C(C)C=CC(O)=C1 M46910 [1,1,0,0,0,0|1,0,1]=4 725 B10R1.30 CNC1=C(N)C=CC(Br)=C1 B46288 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.30 CNC1=C(N)C=CC(C)=C1 D46972 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C46304 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 B42644 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [1,1,0,0,0,0|1,0,0]=3 736 B10R1.30 COC1=C(Br)C=CC(N)=N1 B17534 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [1,1,0,0,0,0|1,0,0]=3 738 B10R1.30 COC1=C(Br)C=NC(C)=C1 B46174 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.30 COC1=C(Br)C=NC(Cl)=C1 B42647 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.30 COC1=C(Br)C=NC(N)=C1 B17813 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [1,1,0,0,0,0|0,0,1]=3 742 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [1,1,0,0,0,0|0,0,1]=3 743 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [1,1,0,0,0,0|0,0,1]=3 744 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.30 COC1=C(F)C=CC(Cl)=N1 C32280 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.30 COC1=C(I)C=NC(Cl)=C1 C42674 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.30 COC1=C(N)C=CC(Br)=N1 B3763 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [1,1,0,0,0,0|1,0,0]=3 763 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [1,1,0,0,0,0|1,0,0]=3 771 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.30 COC1=CC(Br)=CN=C1C B16799 [1,1,0,0,0,0|1,0,1]=4 775 B10R1.30 COC1=CC(Br)=CN=C1Cl B9982 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.30 COC1=CC(Br)=CN=C1N B23636 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.30 COC1=CC(Br)=CNC1=O B32141 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.30 COC1=CC(Br)=NC=C1Br D42630 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.30 COC1=CC(Br)=NC=C1C B46167 [1,1,0,0,0,0|1,0,1]=4 780 B10R1.30 COC1=CC(Br)=NC=C1N B37656 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.30 COC1=CC(Cl)=NC=C1Cl D16638 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.30 COC1=CC(Cl)=NC=C1N C32017 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.30 COC1=CC(F)=CN=C1N F43083 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.30 COC1=CC(N)=CN=C1Br B37681 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.30 COC1=CC(N)=CN=C1Cl C25246 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.30 COC1=CC(O)=CN=C1Cl C12083 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.30 COC1=NC(C)=CC=C1N A67537 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.30 CSC1=C(N)C=CC(Br)=C1 B69348 [1,1,0,0,0,0|1,1,0]=4 789 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 B67895 [1,1,0,0,0,0|1,0,1]=4 790 B10R1.30 N#CC1=C(O)C=CC(Cl)=C1 C44536 [1,1,0,0,0,0|1,0,1]=4 791 B10R1.30 N#CC1=C(O)C=CC(F)=C1 F44550 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.30 N#CC1=C(O)C=CC(N)=C1 A45221 [1,1,0,0,0,0|1,0,1]=4 793 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 A10804 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 A45481 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.30 NCC1=C(O)C=CC(Br)=C1 A46182 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 D44633 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 B37820 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.30 O=CC1=C(Br)C=CC(I)=C1 B44658 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 B45082 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 B44642 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 D39344 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.30 O=CC1=C(Cl)C=CC(F)=C1 C44663 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 C45090 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 F66905 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 C5663 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.30 O=CC1=C(F)C=CC(F)=C1 D44676 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.30 O=CC1=C(F)C=CC(O)=C1 F45099 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.30 O=CC1=C(I)C=CC(Br)=C1 B28649 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 C67854 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.30 O=CC1=C(O)C=CC(F)=C1 F67833 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.30 O=CC1=C(O)C=CC(I)=C1 H45105 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.30 O=CC1=C(O)C=CC(O)=C1 D60796 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.30 O=CC1=CC(Cl)=NC=C1O C16332 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.30 OCC1=C(O)C=CC(Br)=C1 B68796 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [1,1,0,0,0,0|1,0,0]=3 816 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [1,1,0,0,0,0|1,0,1]=4 817 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [1,1,0,0,0,0|0,0,1]=3 818 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [1,1,0,0,0,0|1,0,1]=4 819 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [1,1,0,0,0,0|1,0,1]=4 820 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [1,1,0,0,0,0|1,0,1]=4 821 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [1,1,0,0,0,0|1,0,1]=4 822 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [1,1,0,0,0,0|1,0,1]=4 823 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [1,1,0,0,0,0|1,0,1]=4 824 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [1,1,0,0,0,0|1,0,1]=4 825 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.61 CC1=C(B(O)O)C=CC=C1 T5230 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [1,1,0,0,0,0|1,0,0]=3 830 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [1,1,0,0,0,0|1,0,0]=3 831 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.61 CC1=C(C(N)=O)C=CN=C1 M45976 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [1,1,0,0,0,0|0,0,2]=4 839 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [1,1,0,0,0,0|0,0,2]=4 840 B10R1.61 CC1=CC=CN=C1C(=N)N M46571 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [1,1,0,0,0,0|2,0,0]=4 842 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [1,1,0,0,0,0|2,0,0]=4 856 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.61 N=C(N)C1=C(F)C=CC=C1 F46532 [1,1,0,0,0,0|2,0,0]=4 867 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.61 NC(=O)C1=C(O)C=NC=C1 H63051 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.61 OB(O)C1=C(O)C=CC=C1 H3736 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.61 OC1=C(C(F)F)C=CC=C1 D37751 [1,1,0,0,0,0|1,0,1]=4 876 B10R1.245 CC1=CC=CC(Br)=C1C#N B47947 [1,1,0,0,0,0|1,0,1]=4 877 B10R1.245 CC1=CC=CC(Br)=C1C=O B62059 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.245 CC1=CC=CC(C)=C1C#N D51673 [1,1,0,0,0,0|1,0,1]=4 879 B10R1.245 CC1=CC=CC(C)=C1C=O D49875 [1,1,0,0,0,0|1,0,0]=3 880 B10R1.245 CC1=CC=CC(C)=C1CBr B38662 [1,1,0,0,0,0|1,0,1]=4 881 B10R1.245 CC1=CC=CC(C)=C1CCl C49970 [1,1,0,0,0,0|1,0,1]=4 882 B10R1.245 CC1=CC=CC(C)=C1CN D38617 [1,1,0,0,0,0|1,0,1]=4 883 B10R1.245 CC1=CC=CC(C)=C1CO D50274 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.245 CC1=CC=CC(C)=C1NN D49536 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.245 CC1=CC=CC(F)=C1C#N F47974 [1,1,0,0,0,0|1,0,1]=4 886 B10R1.245 CC1=CC=CC(F)=C1C=O F48739 [1,1,0,0,0,0|1,0,0]=3 887 B10R1.245 CC1=CC=CC(F)=C1CO F49464 [1,1,0,0,0,0|1,0,1]=4 888 B10R1.245 CC1=CC=CC(N)=C1C#N A48783 [1,1,0,0,0,0|1,0,1]=4 889 B10R1.245 CC1=CC=CC(O)=C1C#N H48445 [1,1,0,0,0,0|1,0,1]=4 890 B10R1.245 CC1=CC=CC(O)=C1C=O M38055 [1,1,0,0,0,0|1,0,0]=3 891 B10R1.245 CC1=CC=CC(O)=C1CO H46831 [1,1,0,0,0,0|1,0,1]=4 892 B10R1.245 CNC1=C(Br)C=CC=C1N B46289 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.245 CNC1=C(F)C=CC=C1F D46547 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.245 COC1=C(Br)C=CC=C1Br D45550 [1,1,0,0,0,0|1,0,0]=3 895 B10R1.245 COC1=C(Br)C=CC=C1Cl B45560 [1,1,0,0,0,0|1,0,0]=3 896 B10R1.245 COC1=C(Br)C=CC=C1F B45573 [1,1,0,0,0,0|1,0,0]=3 897 B10R1.245 COC1=C(Br)C=CC=C1N B46153 [1,1,0,0,0,0|1,0,0]=3 898 B10R1.245 COC1=C(Br)C=CC=C1O B61272 [1,1,0,0,0,0|1,0,0]=3 899 B10R1.245 COC1=C(Br)C=NC=C1Br D42634 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.245 COC1=C(Cl)C=CC=C1F C45593 [1,1,0,0,0,0|1,0,0]=3 901 B10R1.245 COC1=C(Cl)C=CC=C1N C46187 [1,1,0,0,0,0|1,0,0]=3 902 B10R1.245 COC1=C(Cl)C=CN=C1C C11879 [1,1,0,0,0,0|1,0,1]=4 903 B10R1.245 COC1=C(Cl)C=CN=C1N C18269 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.245 COC1=C(F)C=CC=C1N F38584 [1,1,0,0,0,0|1,0,0]=3 905 B10R1.245 COC1=C(F)C=CN=C1N F43082 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.245 N#CC1=C(Cl)C=CC=C1O C1753 [1,1,0,0,0,0|1,0,1]=4 907 B10R1.245 N#CC1=C(F)C=CC=C1O F44544 [1,1,0,0,0,0|1,0,1]=4 908 B10R1.245 NC1=CC=CC(Br)=C1C=O A13184 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.245 NC1=CC=CC(Cl)=C1C=O A45482 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.245 O=CC1=C(Br)C=CC=C1Br D36972 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.245 O=CC1=C(Br)C=CC=C1Cl B44636 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.245 O=CC1=C(Br)C=CC=C1F B38461 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.245 O=CC1=C(Br)C=CC=C1O B45083 [1,1,0,0,0,0|1,0,0]=3 914 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl D67911 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.245 O=CC1=C(Cl)C=CC=C1F C68856 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.245 O=CC1=C(Cl)C=CC=C1O C21966 [1,1,0,0,0,0|1,0,0]=3 917 B10R1.245 O=CC1=C(F)C=CC=C1F D44677 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.245 O=CC1=C(F)C=CC=C1O F45100 [1,1,0,0,0,0|1,0,0]=3 919 B10R1.245 O=CC1=C(I)C=CC=C1Cl C44673 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.245 O=CC1=C(O)C=CC=C1O D38677 [1,1,0,0,0,0|1,0,0]=3 921 B10R1.39 COC1=CSC=C1C(=O)O M42956 [0,1,0,0,1,0|2,0,0]=4 922 B12R1.46 CNC1=C(C(N)=O)C=C(Br)C=C1 B49190 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.46 COC1=C(B(O)O)C=C(Br)C=C1 B1820 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.46 COC1=C(B(O)O)C=C(C)C=C1 M4220 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.46 COC1=C(B(O)O)C=C(Cl)C=C1 C2220 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.46 COC1=C(B(O)O)C=C(F)C=C1 F3280 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 B67990 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.46 COC1=C(C(=O)O)C=C(C)C=C1 M49911 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 M62514 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=C1 C38453 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.46 COC1=C(C(=O)O)C=C(F)C=C1 F48676 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.46 COC1=C(C(=O)O)C=C(I)C=C1 K48693 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.46 COC1=C(C(=O)O)N=C(Br)C=C1 B45413 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.46 COC1=C(C(C)=O)C=C(C)C=C1 M52812 [0,2,0,0,0,0|0,0,1]=3 935 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 F51949 [0,2,0,0,0,0|0,0,1]=3 936 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 P54953 [0,2,0,0,0,0|0,0,2]=4 937 B12R1.46 COC1=C(C(C)C)C=C(N)C=C1 P53137 [0,2,0,0,0,0|0,0,2]=4 938 B12R1.46 COC1=C([C@H](C)O)C=C(F)C=C1 F62532 [0,2,0,0,0,0|0,0,2]=4 939 B12R1.46 COC1=C([N+](=O)[O-])C=C(Br)C=C1 B45421 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.46 COC1=C([N+](=O)[O-])C=C(C)C=C1 M60627 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.46 COC1=C([N+](=O)[O-])C=C(F)C=C1 F45451 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.46 COC1=C([N+](=O)[O-])C=C(N)C=C1 M46025 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.46 COC1=C([N+](=O)[O-])C=C(O)C=C1 M45858 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.46 COC1=CN=C(Br)C=C1C(=O)O B45423 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.46 COC1=NC=C(Br)C=C1C(=O)O B12772 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.46 COC1=NC=C(Cl)C=C1C(=O)O C12909 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.46 COC1=NC=C(F)C=C1C(=O)O F45447 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.57 CCC1=C(C(=O)O)C=CC(N)=C1 A50042 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.57 COC1=C(B(O)O)C=CC(Cl)=C1 C2214 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.57 COC1=C(B(O)O)C=CC(F)=C1 F3266 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 B48642 [0,2,0,0,0,0|1,0,0]=3 952 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 B45412 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 M49919 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 C48657 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 C36979 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 F48675 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.57 COC1=C(C(=O)O)C=CC(N)=N1 A46029 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 B38809 [0,2,0,0,0,0|0,0,1]=3 959 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 F51948 [0,2,0,0,0,0|0,0,1]=3 960 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 A50071 [0,2,0,0,0,0|0,0,1]=3 961 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Br)=C1 B45422 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.57 COC1=C([N+](=O)[O-])C=CC(C)=C1 M68557 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 C45426 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.57 COC1=C([N+](=O)[O-])C=CC(F)=C1 F27965 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 M46024 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 M27966 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.57 COC1=CC(Br)=CN=C1C(=O)O B45410 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.57 COC1=CC(Br)=NC=C1C(=O)O B37276 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O C29584 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O C45436 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [0,2,0,0,0,0|1,0,1]=4 972 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [0,2,0,0,0,0|1,0,1]=4 973 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 F51180 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [0,2,0,0,0,0|1,0,1]=4 975 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [0,2,0,0,0,0|1,0,1]=4 976 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [0,2,0,0,0,0|1,0,1]=4 977 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [0,2,0,0,0,0|1,0,1]=4 978 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 D51773 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 D39536 [0,2,0,0,0,0|1,0,0]=3 980 B12R1.78 COC1=CC(OC)=C(CN)C=C1 D37838 [0,2,0,0,0,0|1,0,1]=4 981 B12R1.78 COC1=NC(OC)=C(C=O)C=C1 F2597 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.112 COC1=C(CC#N)C=CC(Br)=C1 B51513 [0,2,0,0,0,0|0,0,2]=4 983 B12R1.112 COC1=C(CC#N)C=CC(F)=C1 F51537 [0,2,0,0,0,0|0,0,2]=4 984 B12R1.234 COC1=C(Br)C=C(F)C=C1C=O B48152 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.234 COC1=C(C#N)C(C)=CC(Br)=C1 B63664 [0,2,0,0,0,0|1,0,1]=4 986 B12R1.234 COC1=CC(Br)=CC(F)=C1C=O B36956 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.234 COC1=CC(Cl)=CC(F)=C1C=O C48178 [0,2,0,0,0,0|1,0,0]=3 988 B12R1.268 CCOC1=C(C#N)C=CC(Br)=C1 B51505 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.268 COC1=C(CC#N)C=C(Br)C=C1 B51518 [0,2,0,0,0,0|0,0,2]=4 990 B12R1.268 COC1=C(CC#N)C=C(Cl)C=C1 C51524 [0,2,0,0,0,0|0,0,2]=4 991 B12R1.448 COC1=CC(Br)=C(Br)C=C1OC D38804 [0,2,0,0,0,0|1,0,1]=4 992 B12R1.448 COC1=CC(F)=C(F)C=C1C#N D47754 [0,2,0,0,0,0|1,0,1]=4 993 B12R1.448 COC1=CC(N)=C(Cl)C=C1C=O A48958 [0,2,0,0,0,0|1,0,0]=3 994 B12R1.448 COC1=CC(O)=C(Br)C=C1OC B49411 [0,2,0,0,0,0|1,0,1]=4 995 B12R1.652 COC1=C(C=O)C(F)=C(F)C=C1 D48199 [0,2,0,0,0,0|1,0,0]=3 996 B12R1.652 COC1=C(OC)C(C)=C(Br)C=C1 B50125 [0,2,0,0,0,0|1,0,1]=4 997 B12R1.75 C=CC1=C(OC(C)C)C=CC=C1 P54756 [0,2,0,0,0,0|0,0,0]=2 998 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 B51880 [0,2,0,0,0,0|1,0,1]=4 999 B12R1.75 CC(C)OC1=C(C=O)C=CC=N1 P50039 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 M64892 [0,2,0,0,0,0|0,0,1]=3 1001 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [0,2,0,0,0,0|0,0,1]=3 1002 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [0,2,0,0,0,0|0,0,1]=3 1003 B12R1.75 FC(F)OC1=C(CBr)C=CC=C1 B48722 [0,2,0,0,0,0|1,0,1]=4 1004 B12R1.75 N#CC1=C(OC(F)F)C=CC=C1 D47750 [0,2,0,0,0,0|1,0,1]=4 1005 B12R1.75 O=CC1=C(OC(F)F)C=CC=C1 D48187 [0,2,0,0,0,0|1,0,0]=3 1006 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 M53793 [0,2,0,0,0,0|0,0,2]=4 1007 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 M65720 [0,2,0,0,0,0|1,0,1]=4 1008 B12R1.77 COC(=O)C1=C(C#N)C=CC=C1 M51164 [0,2,0,0,0,0|1,0,1]=4 1009 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 M38609 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 M36627 [0,2,0,0,0,0|1,0,1]=4 1011 B12R1.77 COC(=O)C1=C(CCl)C=CC=C1 M51917 [0,2,0,0,0,0|1,0,1]=4 1012 B12R1.77 COC(=O)C1=C(OC)C=CN=C1 M49313 [0,2,0,0,0,0|1,0,1]=4 1013 B12R1.77 COC(=O)C1=C(OC)N=CC=C1 M12721 [0,2,0,0,0,0|1,0,1]=4 1014 B12R1.77 COC(=O)C1=NC=CC=C1C=O M48497 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.77 COC(=O)C1=NC=CC=C1OC M49338 [0,2,0,0,0,0|1,0,1]=4 1016 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 B51907 [0,2,0,0,0,0|0,0,1]=3 1017 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 A52119 [0,2,0,0,0,0|0,0,1]=3 1018 B12R1.77 COC1=C([C@H](N)CO)C=CC=C1 A52183 [0,2,0,0,0,0|0,0,2]=4 1019 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 A52429 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [0,2,0,0,0,0|0,0,1]=3 1022 B12R1.121 COC1=C(CCCO)C=CC=C1 M53089 [0,2,0,0,0,0|0,0,2]=4 1023 B12R1.121 COC1=C(OCCBr)C=CC=C1 B50122 [0,2,0,0,0,0|0,0,2]=4 1024 B12R1.121 COC1=C(OCCN)C=CC=C1 M39585 [0,2,0,0,0,0|0,0,2]=4 1025 B12R1.121 COC1=C(OCCN)C=CC=C1 M50361 [0,2,0,0,0,0|0,0,2]=4 1026 B12R1.283 CCOC1=C(B(O)O)C=CC=C1 E3060 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.283 CCOC1=C(C(=N)N)C=CC=C1 E52131 [0,2,0,0,0,0|1,0,0]=3 1028 B12R1.283 CCOC1=C(C(=O)O)C=CN=C1 E49306 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.283 CCOC1=CC=CN=C1C(=O)O E49299 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.283 COCC1=C(B(O)O)C=CC=C1 M4180 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.283 COCC1=C(C(=O)O)C=CC=C1 M49909 [0,2,0,0,0,0|1,0,0]=3 1032 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 A64045 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.542 CCOC1=CC=CC(F)=C1C#N E51534 [0,2,0,0,0,0|1,0,1]=4 1034 B12R1.1112 C=CCC1=C(C=O)C=CC=C1O A52433 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.1112 COC1=CC=CC(F)=C1CC#N F51536 [0,2,0,0,0,0|0,0,2]=4 1036 B12R1.76 COC1=C(S(=O)(=O)Cl)C=CC=C1 M45940 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.76 COC1=C([B-](F)(F)F)C=CC=C1 P68748 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.76 CS(=O)(=O)C1=C(C=O)C=CC=C1 M49111 [0,2,0,0,0,0|1,1,0]=4 1039 B12R1.87 CCC1=C(Br)C=CC=C1C(=O)O B51875 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.87 CNC1=C(F)C=CC=C1C(=O)O F48976 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.87 COC1=C(Br)C=CC=C1C(=O)O B48639 [0,2,0,0,0,0|1,0,0]=3 1042 B12R1.87 COC1=C(Br)C=CC=C1C(C)=O B51905 [0,2,0,0,0,0|0,0,1]=3 1043 B12R1.87 COC1=C(Br)C=CC=C1C(N)=O B48905 [0,2,0,0,0,0|1,0,0]=3 1044 B12R1.87 COC1=C(Br)C=CC=C1[N+](=O)[O-] B26989 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.87 COC1=C(Cl)C=CC=C1B(O)O C46261 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.87 COC1=C(Cl)C=CC=C1C(C)=O C51929 [0,2,0,0,0,0|0,0,1]=3 1047 B12R1.87 COC1=C(Cl)C=CC=C1[N+](=O)[O-] C45425 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.87 COC1=C(F)C=CC=C1C(=O)O F48673 [0,2,0,0,0,0|1,0,0]=3 1049 B12R1.87 COC1=C(F)C=CC=C1C(C)=O F51947 [0,2,0,0,0,0|0,0,1]=3 1050 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 A51621 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=C1 D50038 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.437 CCC1=CC=CC(N)=C1C(=O)O A64846 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.437 COC1=C(B(O)O)C(C)=CC=C1 M46944 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.437 COC1=C(C(=O)O)C(C)=CC=C1 M38620 [0,2,0,0,0,0|1,0,0]=3 1055 B12R1.437 COC1=C(C(=O)O)C(Cl)=NC=C1 C38099 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.437 COC1=C(C(=O)O)C(F)=NC=C1 F45446 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.437 COC1=C(C(=O)O)C(N)=CC=C1 A49318 [0,2,0,0,0,0|1,0,0]=3 1058 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 M52813 [0,2,0,0,0,0|0,0,1]=3 1059 B12R1.437 COC1=C(C(C)=O)C(O)=CC=C1 H49930 [0,2,0,0,0,0|0,0,1]=3 1060 B12R1.437 COC1=C([N+](=O)[O-])C(C)=CC=C1 M49330 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.437 COC1=C([N+](=O)[O-])C(N)=CC=C1 M46023 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.437 COC1=CC=CC(Br)=C1C(=O)O B48638 [0,2,0,0,0,0|1,0,0]=3 1063 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O B51904 [0,2,0,0,0,0|0,0,1]=3 1064 B12R1.437 COC1=CC=CC(Br)=C1C(N)=O B48904 [0,2,0,0,0,0|1,0,0]=3 1065 B12R1.437 COC1=CC=CC(Br)=C1[N+](=O)[O-] B45416 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.437 COC1=CC=CC(Cl)=C1B(O)O C2210 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.437 COC1=CC=CC(Cl)=C1C(=O)O C48655 [0,2,0,0,0,0|1,0,0]=3 1068 B12R1.437 COC1=CC=CC(Cl)=C1C(C)=O C51928 [0,2,0,0,0,0|0,0,1]=3 1069 B12R1.437 COC1=CC=CC(F)=C1B(O)O F3240 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.437 COC1=CC=CC(F)=C1C(=O)O F48672 [0,2,0,0,0,0|1,0,0]=3 1071 B12R1.437 COC1=CC=CC(F)=C1C(C)=O F51946 [0,2,0,0,0,0|0,0,1]=3 1072 B12R1.437 COC1=CC=CC(F)=C1[N+](=O)[O-] F36975 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.437 COC1=CC=CC(I)=C1C(=O)O K48691 [0,2,0,0,0,0|1,0,0]=3 1074 B12R1.437 COC1=NC=CC(Br)=C1C(=O)O B45409 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.437 COC1=NC=CC(Cl)=C1C(=O)O C45434 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.437 COC1=NC=CC(I)=C1C(=O)O K61990 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.1879 CNC1=CC=CC(OC)=C1C#N M66798 [0,2,0,0,0,0|1,0,1]=4 1078 B12R1.1879 COC1=C(OC)C(C#N)=CC=C1 D51772 [0,2,0,0,0,0|1,0,1]=4 1079 B12R1.1879 COC1=C(OC)C(CO)=CC=C1 D50292 [0,2,0,0,0,0|1,0,1]=4 1080 B12R1.1879 COC1=CC=CC(C=O)=C1OC D39535 [0,2,0,0,0,0|1,0,0]=3 1081 B12R1.1879 COC1=CC=CC(OC)=C1C#N D60970 [0,2,0,0,0,0|1,0,1]=4 1082 B12R1.1879 COC1=CC=CC(OC)=C1C=O D9394 [0,2,0,0,0,0|1,0,0]=3 1083 B12R1.1879 COC1=CN=CC(OC)=C1C=O D49321 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.1879 COC1=NC=CC(C=O)=C1OC D63129 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,0,1,1,0,0|1,0,0]=3 1086 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [0,0,1,1,0,0|2,0,0]=4 1087 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,0,1,1,0,0|2,0,0]=4 1088 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,0,1,1,0,0|2,0,0]=4 1089 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [0,0,1,1,0,0|1,0,1]=4 1090 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [0,0,1,1,0,0|0,0,2]=4 1091 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [0,0,1,1,0,0|2,0,0]=4 1092 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [0,0,1,1,0,0|1,0,1]=4 1093 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [0,0,1,1,0,0|2,0,0]=4 1094 B10R1.172 COC1=CC(C=O)=NC=C1 M38180 [0,0,1,1,0,0|2,0,0]=4 1095 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [0,0,1,1,0,0|1,0,1]=4 1096 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [0,0,1,1,0,0|1,0,1]=4 1097 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [0,0,1,1,0,0|2,0,0]=4 1098 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [0,0,1,1,0,0|1,0,0]=3 1099 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [0,0,1,1,0,0|2,0,0]=4 1100 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [0,0,1,1,0,0|1,0,1]=4 1101 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [0,0,1,1,0,0|2,0,0]=4 1102 B10R1.176 COC1=CC(Br)=C(Br)C=C1 D45549 [0,0,1,1,0,0|2,0,0]=4 1103 B10R1.176 COC1=CC(Br)=C(C)C=C1 B49439 [0,0,1,1,0,0|1,0,1]=4 1104 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 B45563 [0,0,1,1,0,0|2,0,0]=4 1105 B10R1.176 COC1=CC(Br)=C(F)C=C1 B45565 [0,0,1,1,0,0|2,0,0]=4 1106 B10R1.176 COC1=CC(Br)=C(I)C=C1 B45583 [0,0,1,1,0,0|2,0,0]=4 1107 B10R1.176 COC1=CC(Br)=C(N)C=C1 B38510 [0,0,1,1,0,0|2,0,0]=4 1108 B10R1.176 COC1=CC(Br)=C(O)C=C1 B38008 [0,0,1,1,0,0|2,0,0]=4 1109 B10R1.176 COC1=CC(C)=C(Br)C=C1 B49437 [0,0,1,1,0,0|1,0,1]=4 1110 B10R1.176 COC1=CC(C)=C(F)C=C1 F49456 [0,0,1,1,0,0|1,0,1]=4 1111 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [0,0,1,1,0,0|1,0,1]=4 1112 B10R1.176 COC1=CC(C)=C([Mg+])C=C1 M31768 [0,0,1,1,0,0|1,0,1]=4 1113 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 B45553 [0,0,1,1,0,0|2,0,0]=4 1114 B10R1.176 COC1=CC(Cl)=C(C)C=C1 C49453 [0,0,1,1,0,0|1,0,1]=4 1115 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 D45585 [0,0,1,1,0,0|2,0,0]=4 1116 B10R1.176 COC1=CC(Cl)=C(F)C=C1 C45600 [0,0,1,1,0,0|2,0,0]=4 1117 B10R1.176 COC1=CC(Cl)=C(I)C=C1 C63668 [0,0,1,1,0,0|2,0,0]=4 1118 B10R1.176 COC1=CC(Cl)=C(N)C=C1 C37946 [0,0,1,1,0,0|2,0,0]=4 1119 B10R1.176 COC1=CC(Cl)=C(O)C=C1 C45910 [0,0,1,1,0,0|2,0,0]=4 1120 B10R1.176 COC1=CC(F)=C(Br)C=C1 B45566 [0,0,1,1,0,0|2,0,0]=4 1121 B10R1.176 COC1=CC(F)=C(C)C=C1 F49466 [0,0,1,1,0,0|1,0,1]=4 1122 B10R1.176 COC1=CC(F)=C(Cl)C=C1 C45599 [0,0,1,1,0,0|2,0,0]=4 1123 B10R1.176 COC1=CC(F)=C(F)C=C1 D65181 [0,0,1,1,0,0|2,0,0]=4 1124 B10R1.176 COC1=CC(F)=C(N)C=C1 F38553 [0,0,1,1,0,0|2,0,0]=4 1125 B10R1.176 COC1=CC(I)=C(Br)C=C1 B38541 [0,0,1,1,0,0|2,0,0]=4 1126 B10R1.176 COC1=CC(I)=C(Cl)C=C1 C63030 [0,0,1,1,0,0|2,0,0]=4 1127 B10R1.176 COC1=CC(I)=C(N)C=C1 K46228 [0,0,1,1,0,0|2,0,0]=4 1128 B10R1.176 COC1=CC(N)=C(Br)C=C1 B46152 [0,0,1,1,0,0|2,0,0]=4 1129 B10R1.176 COC1=CC(N)=C(C)C=C1 M46901 [0,0,1,1,0,0|1,0,1]=4 1130 B10R1.176 COC1=CC(N)=C(Cl)C=C1 C46185 [0,0,1,1,0,0|2,0,0]=4 1131 B10R1.176 COC1=CC(N)=C(F)C=C1 F36653 [0,0,1,1,0,0|2,0,0]=4 1132 B10R1.176 COC1=CC(N)=C(I)C=C1 I5695 [0,0,1,1,0,0|2,0,0]=4 1133 B10R1.176 COC1=CC(N)=C(N)C=C1 M43632 [0,0,1,1,0,0|2,0,0]=4 1134 B10R1.176 COC1=CC(N)=C(N)C=C1 M46463 [0,0,1,1,0,0|2,0,0]=4 1135 B10R1.176 COC1=CC(N)=C(O)C=C1 A46393 [0,0,1,1,0,0|2,0,0]=4 1136 B10R1.176 COC1=CC(O)=C(Br)C=C1 B45898 [0,0,1,1,0,0|2,0,0]=4 1137 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [0,0,1,1,0,0|1,0,1]=4 1138 B10R1.176 COC1=CC(O)=C(I)C=C1 K45922 [0,0,1,1,0,0|2,0,0]=4 1139 B10R1.176 COC1=CC(O)=C(N)C=C1 A46394 [0,0,1,1,0,0|2,0,0]=4 1140 B10R1.176 COC1=CC(O)=C(N)C=C1 A46576 [0,0,1,1,0,0|2,0,0]=4 1141 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|1,0,1]=4 1142 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,1,0,0|2,0,0]=4 1143 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [1,0,0,1,0,0|2,0,0]=4 1144 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,1,0,0|1,0,0]=3 1145 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|0,0,1]=3 1146 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|1,0,0]=3 1147 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [1,0,0,1,0,0|1,1,0]=4 1148 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,1,0,0|1,1,0]=4 1149 B10R2.7 C1=CC2=C(C=CN2)C=N1 A3184 [1,0,0,1,0,0|2,0,0]=4 1150 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [1,0,0,1,0,0|1,0,0]=3 1151 B10R2.7 C1=CC2=C(C=CS2)N=C1 T14110 [1,0,0,1,0,0|1,1,0]=4 1152 B10R2.7 C1=CC2=C(C=N1)N=CO2 X42084 [1,0,0,1,0,0|2,0,0]=4 1153 B10R2.7 C1=CC2=C(C=N1)NC=C2 A2957 [1,0,0,1,0,0|2,0,0]=4 1154 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [1,0,0,1,0,0|1,0,0]=3 1155 B10R2.7 C1=CC2=C(C=N1)SC=C2 T3035 [1,0,0,1,0,0|1,1,0]=4 1156 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [1,0,0,1,0,0|2,0,0]=4 1157 B10R2.7 C1=CC2=CC=NN2C=C1 P64401 [1,0,0,1,0,0|2,0,0]=4 1158 B10R2.7 C1=CC2=NC=CN2C=C1 I5954 [1,0,0,1,0,0|2,0,0]=4 1159 B10R2.7 C1=CN=C2C=CNC2=C1 A2958 [1,0,0,1,0,0|2,0,0]=4 1160 B10R2.7 C1=CN=C2NC=CC2=C1 A4765 [1,0,0,1,0,0|2,0,0]=4 1161 B10R2.7 C1=CN=C2OC=NC2=C1 X42085 [1,0,0,1,0,0|2,0,0]=4 1162 B10R2.7 C1=CN=C2SC=CC2=C1 T67796 [1,0,0,1,0,0|1,1,0]=4 1163 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|1,0,1]=4 1164 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|1,0,0]=3 1165 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [0,1,0,1,0,0|0,0,2]=4 1166 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B37601 [0,1,0,1,0,0|1,0,1]=4 1167 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B49030 [0,1,0,1,0,0|1,0,1]=4 1168 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [0,1,0,1,0,0|0,0,2]=4 1169 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 B49029 [0,1,0,1,0,0|1,0,1]=4 1170 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 B48585 [0,1,0,1,0,0|1,0,1]=4 1171 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [0,1,0,1,0,0|1,0,1]=4 1172 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 B3879 [0,1,0,1,0,0|2,0,0]=4 1173 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 B36929 [0,1,0,1,0,0|2,0,0]=4 1174 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 B4779 [0,1,0,1,0,0|1,0,1]=4 1175 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 B3878 [0,1,0,1,0,0|2,0,0]=4 1176 B12R2.24 BrC1=CC2=CC=NN=C2C=C1 B47542 [0,1,0,1,0,0|2,0,0]=4 1177 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 B4922 [0,1,0,1,0,0|2,0,0]=4 1178 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 B23905 [0,1,0,1,0,0|1,0,1]=4 1179 B12R2.24 BrC1=CC2=NN=CC=C2C=C1 B47543 [0,1,0,1,0,0|2,0,0]=4 1180 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [0,1,0,1,0,0|1,0,1]=4 1181 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [0,1,0,1,0,0|1,0,1]=4 1182 B12R2.24 CC1=NC2=CC=CN=C2C=C1 M7647 [0,1,0,1,0,0|2,0,0]=4 1183 B12R2.24 CC1=NC2=NC=CC=C2C=C1 M20466 [0,1,0,1,0,0|2,0,0]=4 1184 B12R2.24 ClC1=CC2=C(C=C1)CCN=C2 C51457 [0,1,0,1,0,0|2,0,0]=4 1185 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 C49043 [0,1,0,1,0,0|1,0,1]=4 1186 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 C9355 [0,1,0,1,0,0|2,0,0]=4 1187 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [0,1,0,1,0,0|1,0,1]=4 1188 B12R2.24 ClC1=CC2=CC=CC=C2N=N1 C47551 [0,1,0,1,0,0|2,0,0]=4 1189 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 C50851 [0,1,0,1,0,0|1,0,1]=4 1190 B12R2.24 ClC1=CC2=CC=NC=C2C=C1 C9357 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 C9358 [0,1,0,1,0,0|2,0,0]=4 1192 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 C50852 [0,1,0,1,0,0|1,0,1]=4 1193 B12R2.24 FC1=CC2=C(C=C1)OCCN2 F49619 [0,1,0,1,0,0|1,0,1]=4 1194 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [0,1,0,1,0,0|1,0,1]=4 1195 B12R2.24 FC1=CC2=CC=CC=C2C=N1 F38996 [0,1,0,1,0,0|2,0,0]=4 1196 B12R2.24 FC1=CC2=CC=CN=C2C=C1 F50853 [0,1,0,1,0,0|1,0,1]=4 1197 B12R2.24 FC1=CC2=CN=CC=C2C=C1 F9904 [0,1,0,1,0,0|2,0,0]=4 1198 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [0,1,0,1,0,0|1,0,1]=4 1199 B12R2.24 IC1=CC2=CC=CN=C2C=C1 K18700 [0,1,0,1,0,0|1,0,1]=4 1200 B12R2.24 NC1=CC2=C(C=C1)OCCO2 D49293 [0,1,0,1,0,0|1,0,1]=4 1201 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [0,1,0,1,0,0|1,0,1]=4 1202 B12R2.24 NC1=CC2=CC=CC=C2C=N1 Q51338 [0,1,0,1,0,0|2,0,0]=4 1203 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q51336 [0,1,0,1,0,0|1,0,1]=4 1204 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q52219 [0,1,0,1,0,0|1,0,1]=4 1205 B12R2.24 NC1=CC=C2C=CN=CC2=C1 A3873 [0,1,0,1,0,0|2,0,0]=4 1206 B12R2.24 NC1=CC=C2C=NC=CC2=C1 A3872 [0,1,0,1,0,0|2,0,0]=4 1207 B12R2.24 NC1=CC=C2N=CC=CC2=C1 A67851 [0,1,0,1,0,0|1,0,1]=4 1208 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [0,1,0,1,0,0|1,0,1]=4 1209 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,1,0,1,0,0|2,0,0]=4 1210 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,1,0,1,0,0|1,0,0]=3 1211 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,1,0,1,0,0|1,0,0]=3 1212 B12R2.24 O=C1COC2=C(C=CC=N2)N1 P61000 [0,1,0,1,0,0|2,0,0]=4 1213 B12R2.24 O=C1COC2=CC=CN=C2N1 P38148 [0,1,0,1,0,0|2,0,0]=4 1214 B12R2.24 OC1=CC2=C(C=C1)OCCN2 D49294 [0,1,0,1,0,0|1,0,1]=4 1215 B12R2.24 OC1=CC2=C(C=C1)OCCO2 H49092 [0,1,0,1,0,0|1,0,1]=4 1216 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [0,1,0,1,0,0|2,0,0]=4 1217 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [0,1,0,1,0,0|1,0,1]=4 1218 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [0,1,0,1,0,0|2,0,0]=4 1219 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [0,1,0,1,0,0|2,0,0]=4 1220 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [0,1,0,1,0,0|1,0,1]=4 1221 B12R2.24 [Mg+]C1=CC2=C(C=C1)OCCO2 D31785 [0,1,0,1,0,0|1,0,1]=4 1222 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [0,1,0,1,0,0|1,0,1]=4 1223 B12R2.132 CC1=CC2=C(C=C1)N=CN2C D49714 [0,1,0,1,0,0|2,0,0]=4 1224 B12R2.132 CC1=CC2=C(C=C1)ONC2=O M48465 [0,1,0,1,0,0|2,0,0]=4 1225 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 B15960 [0,1,0,1,0,0|2,0,0]=4 1226 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 C12130 [0,1,0,1,0,0|2,0,0]=4 1227 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 F4725 [0,1,0,1,0,0|2,0,0]=4 1228 B12R2.132 CC1=NOC2=C1C=C(Br)C=C2 B64889 [0,1,0,1,0,0|1,0,1]=4 1229 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 A48809 [0,1,0,1,0,0|1,0,1]=4 1230 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 B51448 [0,1,0,1,0,0|1,0,0]=3 1231 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 M52056 [0,1,0,1,0,0|1,0,0]=3 1232 B12R2.132 CN1C=CC2=C1N=C(N)C=C2 M13883 [0,1,0,1,0,0|2,0,0]=4 1233 B12R2.132 CN1C=CC2=NC=C(Br)C=C21 B48323 [0,1,0,1,0,0|2,0,0]=4 1234 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 B48316 [0,1,0,1,0,0|2,0,0]=4 1235 B12R2.132 CN1C=NC2=C1C=C(N)C=C2 M49207 [0,1,0,1,0,0|2,0,0]=4 1236 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 B2921 [0,1,0,1,0,0|2,0,0]=4 1237 B12R2.132 CN1N=CC2=C1C=C(Cl)C=C2 C9578 [0,1,0,1,0,0|2,0,0]=4 1238 B12R2.132 CN1N=CC2=C1C=C(F)C=C2 F9573 [0,1,0,1,0,0|2,0,0]=4 1239 B12R2.132 CN1N=CC2=C1C=C(I)C=C2 K48347 [0,1,0,1,0,0|2,0,0]=4 1240 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 A2913 [0,1,0,1,0,0|2,0,0]=4 1241 B12R2.132 ClC1=CC2=C(C=C1)ON=C2Cl D44182 [0,1,0,1,0,0|2,0,0]=4 1242 B12R2.132 ClC1=NOC2=C1C=C(Br)C=C2 B61945 [0,1,0,1,0,0|2,0,0]=4 1243 B12R2.132 FC1=CC2=C(C=C1)ON=C2Cl C44185 [0,1,0,1,0,0|2,0,0]=4 1244 B12R2.132 NC1=CC2=C(C=C1)CCC2=O A4485 [0,1,0,1,0,0|2,0,0]=4 1245 B12R2.132 NC1=CC2=C(C=C1)ONC2=O A45230 [0,1,0,1,0,0|2,0,0]=4 1246 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 B44831 [0,1,0,1,0,0|2,0,0]=4 1247 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 C49041 [0,1,0,1,0,0|1,0,1]=4 1248 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 B13141 [0,1,0,1,0,0|2,0,0]=4 1249 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 C13148 [0,1,0,1,0,0|2,0,0]=4 1250 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 F51322 [0,1,0,1,0,0|2,0,0]=4 1251 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 D9500 [0,1,0,1,0,0|2,0,0]=4 1252 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 H51556 [0,1,0,1,0,0|2,0,0]=4 1253 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 B24181 [0,1,0,1,0,0|1,0,0]=3 1254 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 B44449 [0,1,0,1,0,0|2,0,0]=4 1255 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [0,1,0,1,0,0|2,0,0]=4 1256 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 M48466 [0,1,0,1,0,0|2,0,0]=4 1257 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 M25577 [0,1,0,1,0,0|2,0,0]=4 1258 B12R2.612 CC1=NOC2=C1C=CC(Br)=C2 B48075 [0,1,0,1,0,0|1,0,1]=4 1259 B12R2.612 CC1=NOC2=C1C=CC(O)=C2 M39002 [0,1,0,1,0,0|1,0,1]=4 1260 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 B51447 [0,1,0,1,0,0|1,0,0]=3 1261 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 M16073 [0,1,0,1,0,0|1,0,0]=3 1262 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 M37572 [0,1,0,1,0,0|1,0,0]=3 1263 B12R2.612 CN1C=CC2=C1C=CC([Mg+])=C2 M8400 [0,1,0,1,0,0|1,0,0]=3 1264 B12R2.612 CN1C=CC2=CC(Br)=CN=C21 B7982 [0,1,0,1,0,0|2,0,0]=4 1265 B12R2.612 CN1C=CC2=CC(Cl)=CN=C21 C37110 [0,1,0,1,0,0|2,0,0]=4 1266 B12R2.612 CN1C=CC2=CC(N)=CN=C21 M0492 [0,1,0,1,0,0|2,0,0]=4 1267 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 B48313 [0,1,0,1,0,0|2,0,0]=4 1268 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 M49200 [0,1,0,1,0,0|2,0,0]=4 1269 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 M38761 [0,1,0,1,0,0|2,0,0]=4 1270 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 B2917 [0,1,0,1,0,0|2,0,0]=4 1271 B12R2.612 CN1N=CC2=C1C=CC(I)=C2 K9720 [0,1,0,1,0,0|2,0,0]=4 1272 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 A2912 [0,1,0,1,0,0|2,0,0]=4 1273 B12R2.612 CN1N=CC2=C1C=CC(O)=C2 M25239 [0,1,0,1,0,0|2,0,0]=4 1274 B12R2.612 ClC1=CC2=C(C=C1)C(Cl)=NO2 D44183 [0,1,0,1,0,0|2,0,0]=4 1275 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 B37239 [0,1,0,1,0,0|2,0,0]=4 1276 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NO2 C44186 [0,1,0,1,0,0|2,0,0]=4 1277 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [0,1,0,1,0,0|2,0,0]=4 1278 B12R2.612 NC1=NOC2=C1C=CC(Br)=C2 B38042 [0,1,0,1,0,0|2,0,0]=4 1279 B12R2.612 NC1=NOC2=C1C=CC(F)=C2 F44845 [0,1,0,1,0,0|2,0,0]=4 1280 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 B37370 [0,1,0,1,0,0|1,0,1]=4 1281 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 C49046 [0,1,0,1,0,0|1,0,1]=4 1282 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 F49618 [0,1,0,1,0,0|1,0,1]=4 1283 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [0,1,0,1,0,0|2,0,0]=4 1284 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [0,1,0,1,0,0|2,0,0]=4 1285 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [0,1,0,1,0,0|2,0,0]=4 1286 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [0,1,0,1,0,0|2,0,0]=4 1287 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [0,1,0,1,0,0|2,0,0]=4 1288 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 B47765 [0,1,0,1,0,0|1,0,0]=3 1289 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [0,1,0,1,0,0|1,0,0]=3 1290 B12R2.612 O=C1NOC2=C1C=CC(Br)=C2 B38875 [0,1,0,1,0,0|2,0,0]=4 1291 B12R2.612 O=C1NOC2=C1C=CC(Cl)=C2 C62237 [0,1,0,1,0,0|2,0,0]=4 1292 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 F44455 [0,1,0,1,0,0|2,0,0]=4 1293 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 B48578 [0,1,0,1,0,0|1,0,1]=4 1294 B12R2.1 BrCC1=NOC2=C1C=CC=C2 B48074 [0,1,0,1,0,0|1,0,1]=4 1295 B12R2.1 COC1=NNC2=C1C=CC=C2 M15069 [0,1,0,1,0,0|2,0,0]=4 1296 B12R2.1 ClCC1=COC2=C1C=CC=C2 C51318 [0,1,0,1,0,0|0,0,2]=4 1297 B12R2.1 NCC1=CNC2=C1C=CC=C2 K22443 [0,1,0,1,0,0|2,0,0]=4 1298 B12R2.1 O=CC1=COC2=C1C=CC=C2 B23789 [0,1,0,1,0,0|0,0,1]=3 1299 B12R2.1 O=CC1=CSC2=C1C=CC=C2 B67477 [0,1,0,1,0,0|0,1,1]=4 1300 B12R2.1 O=CC1=NNC2=C1C=CC=C2 K9332 [0,1,0,1,0,0|2,0,0]=4 1301 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4626 [0,1,0,1,0,0|2,0,0]=4 1302 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [0,1,0,1,0,0|1,0,0]=3 1303 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 B37673 [0,1,0,1,0,0|1,1,0]=4 1304 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,1,0,1,0,0|1,0,1]=4 1305 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,1,0,1,0,0|1,0,0]=3 1306 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,1,0,1,0,0|2,0,0]=4 1307 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,1,0,1,0,0|1,0,0]=3 1308 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 M61297 [0,1,0,1,0,0|2,0,0]=4 1309 B12R2.18 CN1N=C2C=CC=CC2=C1Br B14973 [0,1,0,1,0,0|2,0,0]=4 1310 B12R2.18 CN1N=C2C=CC=CC2=C1I I14461 [0,1,0,1,0,0|2,0,0]=4 1311 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,1,0,0|2,0,0]=4 1312 B12R2.315 BrCC1=C2OCOC2=CC=C1 B48583 [0,1,0,1,0,0|1,0,1]=4 1313 B12R2.315 C=CC1=CC=CC2=C1CCO2 V52413 [0,1,0,1,0,0|1,0,0]=3 1314 B12R2.315 COC1=C2C=CNC2=CC=C1 M2322 [0,1,0,1,0,0|0,0,0]=2 1315 B12R2.315 COC1=C2C=CNC2=CN=C1 M15509 [0,1,0,1,0,0|1,0,0]=3 1316 B12R2.315 COC1=C2C=CNC2=NC=C1 M3804 [0,1,0,1,0,0|1,0,0]=3 1317 B12R2.315 COC1=C2C=NNC2=CC=C1 M7685 [0,1,0,1,0,0|1,0,0]=3 1318 B12R2.315 COC1=C2C=NNC2=NC=C1 M45737 [0,1,0,1,0,0|2,0,0]=4 1319 B12R2.315 COC1=C2CNCC2=CC=C1 M52105 [0,1,0,1,0,0|0,0,2]=4 1320 B12R2.315 COC1=C2NC=CC2=CC=C1 M2324 [0,1,0,1,0,0|0,0,0]=2 1321 B12R2.315 COC1=C2NC=CC2=CN=C1 M15521 [0,1,0,1,0,0|1,0,0]=3 1322 B12R2.315 COC1=C2NC=CC2=NC=C1 M15523 [0,1,0,1,0,0|1,0,0]=3 1323 B12R2.315 COC1=C2NC=NC2=CC=C1 M48806 [0,1,0,1,0,0|1,0,0]=3 1324 B12R2.315 COC1=C2NN=CC2=CC=C1 M12706 [0,1,0,1,0,0|1,0,0]=3 1325 B12R2.315 COC1=C2OC=CC2=CC=C1 M51551 [0,1,0,1,0,0|0,0,0]=2 1326 B12R2.315 COC1=C2OC=CC2=CC=N1 M12912 [0,1,0,1,0,0|1,0,0]=3 1327 B12R2.315 COC1=CC=CC2=C1C=CS2 M63543 [0,1,0,1,0,0|0,0,0]=2 1328 B12R2.315 COC1=NC=CC2=C1C=CN2 M15512 [0,1,0,1,0,0|1,0,0]=3 1329 B12R2.315 COC1=NC=CC2=C1NC=C2 M12031 [0,1,0,1,0,0|1,0,0]=3 1330 B12R2.315 COC1=NC=NC2=C1C=CN2 M15372 [0,1,0,1,0,0|2,0,0]=4 1331 B12R2.315 N#CC1=C2C=CNC2=CC=C1 C4775 [0,1,0,1,0,0|2,0,0]=4 1332 B12R2.315 N#CC1=C2NC=CC2=CC=C1 I5355 [0,1,0,1,0,0|2,0,0]=4 1333 B12R2.315 NCC1=CC=CC2=C1C=CN2 K23194 [0,1,0,1,0,0|2,0,0]=4 1334 B12R2.315 O=CC1=C2C=CNC2=CC=C1 F2311 [0,1,0,1,0,0|2,0,0]=4 1335 B12R2.315 O=CC1=C2CCOC2=CC=C1 D3694 [0,1,0,1,0,0|2,0,0]=4 1336 B12R2.315 O=CC1=C2NC=CC2=CC=C1 K2139 [0,1,0,1,0,0|2,0,0]=4 1337 B12R2.315 O=CC1=C2OCCC2=CC=C1 D51555 [0,1,0,1,0,0|1,0,0]=3 1338 B12R2.315 O=CC1=C2OCOC2=CC=C1 B25371 [0,1,0,1,0,0|1,0,0]=3 1339 B12R2.315 O=CC1=CC=CC2=C1C=CS2 B37155 [0,1,0,1,0,0|2,0,0]=4 1340 B12R2.315 OCC1=C2OC=CC2=CC=C1 B11184 [0,1,0,1,0,0|2,0,0]=4 1341 B12R2.315 OCC1=C2OCOC2=CC=C1 B49102 [0,1,0,1,0,0|1,0,1]=4 1342 B12R2.1081 BrC1=C2CCCOC2=CC=C1 B52015 [0,1,0,1,0,0|0,0,2]=4 1343 B12R2.1081 BrC1=C2NCCOC2=CC=C1 B49028 [0,1,0,1,0,0|1,0,1]=4 1344 B12R2.1081 BrC1=C2OCCCC2=CC=C1 B63715 [0,1,0,1,0,0|0,0,2]=4 1345 B12R2.1081 BrC1=C2OCCNC2=CC=C1 B49031 [0,1,0,1,0,0|1,0,1]=4 1346 B12R2.1081 BrC1=CC=CC2=CC=CN=C12 B2763 [0,1,0,1,0,0|1,0,1]=4 1347 B12R2.1081 BrC1=CC=CC2=CC=NC=C12 B3603 [0,1,0,1,0,0|2,0,0]=4 1348 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 B3363 [0,1,0,1,0,0|2,0,0]=4 1349 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 B1008 [0,1,0,1,0,0|1,0,1]=4 1350 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 B50848 [0,1,0,1,0,0|1,0,1]=4 1351 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 B9367 [0,1,0,1,0,0|1,0,1]=4 1352 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 B4634 [0,1,0,1,0,0|2,0,0]=4 1353 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 B9353 [0,1,0,1,0,0|2,0,0]=4 1354 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 M53836 [0,1,0,1,0,0|1,0,1]=4 1355 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [0,1,0,1,0,0|0,0,2]=4 1356 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 C3889 [0,1,0,1,0,0|2,0,0]=4 1357 B12R2.1081 ClC1=CC=CC2=CN=CC=C12 C1031 [0,1,0,1,0,0|2,0,0]=4 1358 B12R2.1081 ClC1=CC=CC2=NC=CC=C12 C24659 [0,1,0,1,0,0|1,0,1]=4 1359 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 C24521 [0,1,0,1,0,0|1,0,1]=4 1360 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 C9356 [0,1,0,1,0,0|2,0,0]=4 1361 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 C9354 [0,1,0,1,0,0|2,0,0]=4 1362 B12R2.1081 FC1=C2OCCNC2=CC=C1 F49054 [0,1,0,1,0,0|1,0,1]=4 1363 B12R2.1081 FC1=CC=CC2=CC=CC=C12 F60518 [0,1,0,1,0,0|1,0,1]=4 1364 B12R2.1081 FC1=CC=CC2=CC=CN=C12 F0856 [0,1,0,1,0,0|1,0,1]=4 1365 B12R2.1081 FC1=CN=CC2=CC=CC=C12 F49695 [0,1,0,1,0,0|2,0,0]=4 1366 B12R2.1081 FC1=CN=CC2=CC=CC=C12 F9905 [0,1,0,1,0,0|2,0,0]=4 1367 B12R2.1081 IC1=CC=CC2=CC=CC=C12 K53502 [0,1,0,1,0,0|1,0,1]=4 1368 B12R2.1081 IC1=CC=CC2=CC=CN=C12 I3662 [0,1,0,1,0,0|1,0,1]=4 1369 B12R2.1081 IC1=CC=CC2=CN=CC=C12 K9902 [0,1,0,1,0,0|2,0,0]=4 1370 B12R2.1081 IC1=CC=NC2=CC=CC=C12 K61455 [0,1,0,1,0,0|1,0,1]=4 1371 B12R2.1081 IC1=CN=CC2=CC=CC=C12 K50860 [0,1,0,1,0,0|2,0,0]=4 1372 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 A3294 [0,1,0,1,0,0|2,0,0]=4 1373 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 A1029 [0,1,0,1,0,0|2,0,0]=4 1374 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 Q24367 [0,1,0,1,0,0|1,0,1]=4 1375 B12R2.1081 NC1=CC=CC2=C1C=CCO2 C51750 [0,1,0,1,0,0|0,0,0]=2 1376 B12R2.1081 NC1=CC=CC2=C1OCCO2 D3222 [0,1,0,1,0,0|1,0,1]=4 1377 B12R2.1081 NC1=CC=NC2=CC=CC=C12 A38636 [0,1,0,1,0,0|1,0,1]=4 1378 B12R2.1081 NC1=CN=CC2=CC=CC=C12 A3871 [0,1,0,1,0,0|2,0,0]=4 1379 B12R2.1081 NC1=CN=NC2=CC=CC=C12 A64403 [0,1,0,1,0,0|2,0,0]=4 1380 B12R2.1081 NC1=NC=CC2=CC=CC=C21 I38093 [0,1,0,1,0,0|2,0,0]=4 1381 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [0,1,0,1,0,0|0,0,2]=4 1382 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [0,1,0,1,0,0|0,0,2]=4 1383 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [0,1,0,1,0,0|0,0,2]=4 1384 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [0,1,0,1,0,0|0,0,2]=4 1385 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [0,1,0,1,0,0|0,0,2]=4 1386 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [0,1,0,1,0,0|1,0,1]=4 1387 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [0,1,0,1,0,0|1,0,1]=4 1388 B12R2.1081 O=C1C=COC2=C1C=CC=C2 C38489 [0,1,0,1,0,0|0,0,1]=3 1389 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 C4719 [0,1,0,1,0,0|2,0,0]=4 1390 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [0,1,0,1,0,0|1,0,1]=4 1391 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [0,1,0,1,0,0|0,0,1]=3 1392 B12R2.1081 O=C1CCOC2=CC=CN=C12 P48464 [0,1,0,1,0,0|1,0,1]=4 1393 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [0,1,0,1,0,0|1,0,0]=3 1394 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [0,1,0,1,0,0|1,1,0]=4 1395 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [0,1,0,1,0,0|2,0,0]=4 1396 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [0,1,0,1,0,0|2,0,0]=4 1397 B12R2.1081 OC1=CC=CC2=C1OCCO2 D49104 [0,1,0,1,0,0|1,0,1]=4 1398 B12R2.1081 OC1=CC=CC2=CC=NC=C12 Q3877 [0,1,0,1,0,0|2,0,0]=4 1399 B12R2.1081 OC1=CC=CC2=CN=CC=C12 H51161 [0,1,0,1,0,0|2,0,0]=4 1400 B12R2.1081 OC1=CC=CC2=NC=CC=C12 H4784 [0,1,0,1,0,0|1,0,1]=4 1401 B12R2.1081 OC1=CN=CC2=CC=CC=C12 H6069 [0,1,0,1,0,0|2,0,0]=4 1402 B12R2.1081 OC1=CN=NC2=CC=CC=C12 C47863 [0,1,0,1,0,0|2,0,0]=4 1403 B12R2.1081 OC1=NC=CC2=CC=CC=C21 H38444 [0,1,0,1,0,0|2,0,0]=4 1404 B12R2.1081 [Mg+]C1=CC=CC2=CC=CC=C12 N31714 [0,1,0,1,0,0|1,0,1]=4 1405 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D52502 [0,1,0,1,0,0|1,0,0]=3 1406 B12R2.2028 CN1C=C(Br)C2=C1N=CC=C2 B22807 [0,1,0,1,0,0|2,0,0]=4 1407 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 D49693 [0,1,0,1,0,0|2,0,0]=4 1408 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 B12796 [0,1,0,1,0,0|2,0,0]=4 1409 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 I14462 [0,1,0,1,0,0|2,0,0]=4 1410 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,1,0,1,0,0|2,0,0]=4 1411 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [0,1,0,1,0,0|2,0,0]=4 1412 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 B62427 [0,1,0,1,0,0|1,1,0]=4 1413 B12R2.196 CC1=CC=CC2=C1CCC2=O M52415 [0,1,0,1,0,0|2,0,0]=4 1414 B12R2.196 CC1=CC=CC2=C1ONC2=O M60993 [0,1,0,1,0,0|2,0,0]=4 1415 B12R2.196 CC1=CNC2=C(N)C=CC=C12 M16465 [0,1,0,1,0,0|2,0,0]=4 1416 B12R2.196 CC1=NOC2=C(Br)C=CC=C12 B48076 [0,1,0,1,0,0|1,0,1]=4 1417 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 B10874 [0,1,0,1,0,0|1,0,0]=3 1418 B12R2.196 CN1C=CC2=C(Br)C=CN=C21 B27068 [0,1,0,1,0,0|2,0,0]=4 1419 B12R2.196 CN1C=CC2=C(Cl)C=CN=C21 C10373 [0,1,0,1,0,0|2,0,0]=4 1420 B12R2.196 CN1C=CC2=C(N)C=CN=C21 M25913 [0,1,0,1,0,0|2,0,0]=4 1421 B12R2.196 CN1C=CC2=C(O)C=CC=C21 M60832 [0,1,0,1,0,0|1,0,0]=3 1422 B12R2.196 CN1C=CC2=C1C=CN=C2Cl C22769 [0,1,0,1,0,0|2,0,0]=4 1423 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 B37518 [0,1,0,1,0,0|2,0,0]=4 1424 B12R2.196 CN1C=NC2=C(N)C=CC=C21 M49206 [0,1,0,1,0,0|2,0,0]=4 1425 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 B2911 [0,1,0,1,0,0|2,0,0]=4 1426 B12R2.196 CN1N=CC2=C(I)C=CC=C21 M12426 [0,1,0,1,0,0|2,0,0]=4 1427 B12R2.196 CN1N=CC2=C(O)C=CC=C21 M61890 [0,1,0,1,0,0|2,0,0]=4 1428 B12R2.196 CN1N=CC2=C1C=CC=C2N A2910 [0,1,0,1,0,0|2,0,0]=4 1429 B12R2.196 ClC1=NOC2=C(Br)C=CC=C12 B63414 [0,1,0,1,0,0|2,0,0]=4 1430 B12R2.196 NC1=CC=CC2=C1CCC2=O A3795 [0,1,0,1,0,0|2,0,0]=4 1431 B12R2.196 NC1=NOC2=C(Br)C=CC=C12 B44829 [0,1,0,1,0,0|2,0,0]=4 1432 B12R2.196 N[C@@H]1COC2=C(Cl)C=CC=C21 C49047 [0,1,0,1,0,0|1,0,1]=4 1433 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 I0551 [0,1,0,1,0,0|2,0,0]=4 1434 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C0554 [0,1,0,1,0,0|2,0,0]=4 1435 B12R2.196 O=C1CCC2=C(F)C=CC=C12 F51325 [0,1,0,1,0,0|2,0,0]=4 1436 B12R2.196 O=C1CCC2=C1C=CC=C2O H38442 [0,1,0,1,0,0|2,0,0]=4 1437 B12R2.196 O=C1COC2=C(Br)C=CC=C12 B47766 [0,1,0,1,0,0|1,0,0]=3 1438 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 M52416 [0,1,0,1,0,0|2,0,0]=4 1439 B12R2.203 CC1=CC=CC2=C1N(C)N=C2 D49706 [0,1,0,1,0,0|2,0,0]=4 1440 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 M25969 [0,1,0,1,0,0|2,0,0]=4 1441 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 B23812 [0,1,0,1,0,0|2,0,0]=4 1442 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 B48318 [0,1,0,1,0,0|2,0,0]=4 1443 B12R2.203 CN1N=CC2=C1C(N)=CC=C2 A2914 [0,1,0,1,0,0|2,0,0]=4 1444 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 B2922 [0,1,0,1,0,0|2,0,0]=4 1445 B12R2.203 NC1=NOC2=CC=CC(Br)=C21 B44828 [0,1,0,1,0,0|2,0,0]=4 1446 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 B64882 [0,1,0,1,0,0|2,0,0]=4 1447 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 C51316 [0,1,0,1,0,0|2,0,0]=4 1448 B12R2.203 O=C1CCC2=CC=CC(F)=C12 F51324 [0,1,0,1,0,0|2,0,0]=4 1449 B12R2.203 O=C1CCC2=CC=CC(O)=C12 H51557 [0,1,0,1,0,0|2,0,0]=4 1450 B12R2.203 O=C1COC2=CC=CC(F)=C12 F63171 [0,1,0,1,0,0|1,0,0]=3 1451 B12R2.203 O=C1NOC2=CC=CC(F)=C12 F44454 [0,1,0,1,0,0|2,0,0]=4 1452 B8R1.11 CC1=C(C=O)NC=C1 M63105 [1,0,0,0,1,0|2,0,0]=4 1453 B8R1.11 CC1=C(C=O)SC=C1 M39271 [1,0,0,0,1,0|2,0,0]=4 1454 B8R1.11 CC1=CSC=C1C=O M29934 [1,0,0,0,1,0|2,0,0]=4 1455 B8R1.11 CN1C=CC=C1C=O M17296 [1,0,0,0,1,0|2,0,0]=4