0 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.17 C=COCC1=CC=CC=C1 B26636 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,0,0,0,0,0|1,1,0]=2 15 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.17 NCCNC1=NC=CC=N1 P41447 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.17 NCCOC1=CC=NC=C1 P46588 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [0,0,0,0,0,0|1,0,3]=4 23 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [0,0,0,0,0,0|1,0,1]=2 24 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,0,0,0,0,0|1,1,0]=2 28 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.8 BrCCC1=CC=NC=C1 B46088 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.8 NNCC1=CC=NC=C1 H0096 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.8 NNCC1=CC=NC=C1 H26285 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|0,0,2]=3 57 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|1,1,1]=4 64 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.1 CCCOC1=NN=C(Cl)C=C1 C46327 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.1 COCOC1=CN=C(Cl)C=C1 C46141 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C49149 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.1 FC1=CC=C(OCCBr)C=C1 B49139 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 C15567 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.1 NCCNC1=NC=C(Br)C=C1 B43690 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.1 NCCOC1=CC=C(F)C=C1 F46812 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.1 NCCOC1=CC=C(F)C=C1 F49512 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.17 CC1=C(OCC#N)C=CC=C1 T51755 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.24 CCCOC1=NC(C)=CN=C1 M46976 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.24 COCOC1=CC=CC(F)=C1 F49397 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.24 FCCOC1=CC(Cl)=NN=C1 C42801 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.24 FCCOC1=CC=CC(F)=C1 D49152 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.24 OCCNC1=CC=CC(Cl)=N1 C46329 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.28 NCCSSC1=NC=CC=C1 P37126 [0,1,0,0,0,0|2,1,0]=4 146 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [0,1,0,0,0,0|0,0,1]=2 147 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [0,1,0,0,0,0|0,0,2]=3 148 B11R1.28 OCCC#CC1=CC=NC=C1 P51758 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.28 OCCC#CC1=NC=CC=C1 P51757 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,1,0,0,0,0|0,1,2]=4 169 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,1,0,0,0,0|1,0,1]=3 175 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,1,0,0,0,0|1,1,1]=4 177 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [0,1,0,0,0,0|2,0,1]=4 181 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [0,0,0,1,0,0|1,0,2]=4 182 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [0,0,0,1,0,0|2,0,1]=4 183 B11R2.1 ClC1=NOC2=C1C=CC=C2 C44531 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [0,0,0,1,0,0|2,0,1]=4 185 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,0,0,1,0,0|2,0,0]=3 186 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,0,0,1,0,0|2,0,0]=3 188 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,0,0,1,0,0|3,0,0]=4 189 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [0,0,0,1,0,0|2,0,0]=3 190 B11R2.1 O=C1COC2=C1C=CN=C2 F37015 [0,0,0,1,0,0|1,0,2]=4 191 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.1 OC1=COC2=C1N=CC=C2 F32399 [0,0,0,1,0,0|1,0,2]=4 193 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,0,0,1,0,0|1,0,0]=2 194 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,0,0,1,0,0|1,0,0]=2 195 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,0,0,1,0,0|1,0,0]=2 196 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,0,0,1,0,0|2,0,0]=3 197 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,0,0,1,0,0|2,0,0]=3 198 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,0,0,1,0,0|2,0,0]=3 199 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,0,0,1,0,0|2,0,0]=3 201 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,0,0,1,0,0|1,0,0]=2 203 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,0,0,1,0,0|1,0,0]=2 204 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [0,0,0,1,0,0|1,1,0]=3 205 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.20 C1=CC2=C(N=C1)NCCO2 D45987 [0,0,0,1,0,0|2,0,0]=3 208 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,0,0,1,0,0|3,0,0]=4 209 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,0,0,1,0,0|3,0,0]=4 210 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.20 C1=CN=C2NCCNC2=C1 T46338 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.20 C1=CN=C2OCCNC2=C1 D13943 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.20 C1=CN=C2OCCOC2=C1 D32153 [0,0,0,1,0,0|1,0,0]=2 214 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,0,0,1,0,0|1,0,0]=2 215 B9R1.12 CCCCC1=CSC=C1 B47048 [0,0,0,0,1,0|3,0,0]=4 216 B9R1.12 ICCCC1=CC=CS1 K46278 [0,0,0,0,1,0|3,0,0]=4 217 B9R1.12 OCCCC1=CC=CS1 T36724 [0,0,0,0,1,0|2,0,0]=3 218 B8R0.1 CCOC(=O)\C=C\C=O E69342 [1,0,1,0,0,0|2,0,0]=4 219 B8R1.2 BrCC1=CC=NC=C1 B36897 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.2 COC1=CN=NC=C1 M41023 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|1,0,0]=3 229 B8R1.2 COC1=NC=CN=C1 M2768 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 COC1=NN=CC=C1 M41021 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 ClCC1=CC=NC=C1 C68845 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 NCC1=CC=NC=C1 P67743 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.2 OCC1=CC=NC=C1 P43429 [2,0,0,0,0,0|1,0,0]=3 238 B8R1.2 OCC1=CC=NC=C1 P67894 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|1,0,0]=3 240 B8R1.2 OCC1=CN=CN=C1 P0145 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|1,0,0]=3 242 B8R1.2 OCC1=NC=CC=N1 P0151 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 OCC1=NC=CN=C1 P0147 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 OCC1=NC=NC=C1 P0160 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.2 OCC1=NN=CC=C1 P0155 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|0,0,0]=2 250 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [1,1,0,0,0,0|0,0,0]=2 258 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [1,1,0,0,0,0|0,0,0]=2 259 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.1 CCOC1=CN=C(Br)N=C1 B11613 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.1 CCOC1=CN=C(Cl)N=C1 C1802 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.1 CCOC1=CN=C(N)N=C1 E43348 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.1 CCOC1=NC=C(Br)C=N1 B2619 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.1 CCOC1=NC=C(N)C=N1 E43346 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.1 CCOC1=NC=C(N)N=C1 E9737 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.1 CCOC1=NN=C(Cl)C=C1 C43068 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.1 CCOC1=NN=C(N)C=C1 E43349 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [1,1,0,0,0,0|0,1,0]=3 274 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|0,0,2]=4 299 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|0,0,2]=4 300 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.1 O\N=C\C1=CC=C(F)C=C1 F64667 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.4 CCOC1=CC=CNC1=O E46398 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.4 CCOC1=NC=CN=C1Br B43051 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.4 CCOC1=NC=CN=C1N A36915 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.4 CCOC1=NC=NC=C1N E43347 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [1,1,0,0,0,0|0,1,0]=3 321 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,1,0,0,0,0|0,0,0]=2 332 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,1,0,0,0,0|0,0,0]=2 345 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.10 CCNC1=NC=CC(N)=C1 A43751 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.10 CCOC1=CC(Cl)=NN=C1 C43067 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [1,1,0,0,0,0|0,0,0]=2 356 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [1,1,0,0,0,0|0,0,0]=2 358 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.10 CCOC1=NC(C)=CN=C1 E43628 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.10 CCOC1=NC=NC(C)=C1 E43631 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [1,1,0,0,0,0|0,1,0]=3 366 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,1,0,0,0,0|0,0,0]=2 390 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,1,0,0,0,0|1,1,0]=4 401 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,1,0,0,0,0|0,0,0]=2 411 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,1,0,0,0,0|0,0,1]=3 414 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,1,0,0,0,0|0,0,0]=2 416 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,1,0,0,0,0|0,0,2]=4 425 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,1,0,0,0,0|0,0,2]=4 426 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [1,1,0,0,0,0|0,1,1]=4 431 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.1 COCCOC1=CC=C(Br)C=C1 B36726 [0,2,0,0,0,0|0,0,0]=2 434 B12R1.1 COCCOC1=CC=C(N)C=C1 M50360 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.1 COCCOC1=NC=C(N)N=C1 M43755 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.1 FC1=CC=C(OCCCCl)C=C1 C68838 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.1 N#CCCOC1=CC=C(Br)C=C1 B51509 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C68955 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 A52258 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A50260 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A63764 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 A50262 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B51653 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 C51659 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,2,0,0,0,0|0,0,1]=3 452 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 A65990 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 B50126 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 D47003 [0,2,0,0,0,0|0,0,0]=2 461 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 D49670 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.71 C#CC1=CC=C(CCCC)C=C1 B55853 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.71 C#CC1=CC=C(OCCC)C=C1 E54537 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.71 CCCOC1=CC=C(C=O)C=C1 P2642 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.71 COC1=CC=C(CCCN)C=C1 M53143 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.71 COC1=CC=C(OCCN)C=C1 M50362 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.71 N#CC1=CC=C(CCCO)C=C1 H52548 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 B51882 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.71 O=CC1=CC=C(OCCO)C=C1 H49920 [0,2,0,0,0,0|0,0,0]=2 470 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 H50365 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.30 O=C(NCCO)C1=NC=CC=C1 H46674 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 C65009 [0,2,0,0,0,0|1,1,0]=4 477 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,2,0,0,0,0|1,0,1]=4 479 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 C51658 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 A52429 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.121 COC1=C(CCCO)C=CC=C1 M53089 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.121 COC1=C(OCCBr)C=CC=C1 B50122 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.121 COC1=C(OCCN)C=CC=C1 M39585 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.121 COC1=C(OCCN)C=CC=C1 M50361 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,2,0,0,0,0|0,0,1]=3 496 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,2,0,0,0,0|1,0,1]=4 497 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,2,0,0,0,0|1,0,1]=4 498 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,2,0,0,0,0|0,0,1]=3 501 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,2,0,0,0,0|0,1,1]=4 502 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 B65350 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.267 COCOCC1=C(Br)C=CC=C1 B65130 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.267 FC1=C(OCCCBr)C=CC=C1 B61962 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.374 C#CCOC1=C(F)C=CC(F)=C1 D51032 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.28 CCCCOC1=NC=CC(N)=C1 B50398 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.28 COCCOC1=CC(Cl)=NN=C1 C46317 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.28 COCCOC1=NC=CC(Br)=C1 B46775 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 A50259 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [0,2,0,0,0,0|0,0,1]=3 513 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [0,2,0,0,0,0|0,0,1]=3 518 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [0,2,0,0,0,0|0,0,1]=3 519 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 A52430 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.8 BrCCCCOC1=CC=CC=C1 B53012 [0,2,0,0,0,0|1,0,0]=3 521 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [0,2,0,0,0,0|0,0,1]=3 525 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [0,2,0,0,0,0|0,0,0]=2 527 B12R1.8 [N-]=[N+]=NCOCC1=CC=CC=C1 A9115 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,2,0,0,0,0|0,0,1]=3 530 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,2,0,0,0,0|0,0,0]=2 533 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,2,0,0,0,0|1,0,1]=4 537 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,2,0,0,0,0|0,0,1]=3 538 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,2,0,0,0,0|0,0,2]=4 541 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,2,0,0,0,0|0,0,0]=2 543 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,2,0,0,0,0|0,0,1]=3 546 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,2,0,0,0,0|0,0,2]=4 547 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,2,0,0,0,0|0,0,1]=3 548 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 M38248 [0,2,0,0,0,0|1,0,1]=4 557 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|0,0,0]=2 558 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|0,0,0]=2 559 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|2,0,0]=4 560 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,1,0,0|1,0,1]=4 561 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|0,0,0]=2 562 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|0,0,0]=2 563 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,1,0,0|0,2,0]=4 564 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [1,0,0,1,0,0|2,0,0]=4 565 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [1,0,0,1,0,0|2,0,0]=4 566 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,1,0,0|2,0,0]=4 567 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,1,0,0|2,0,0]=4 568 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,1,0,0|2,0,0]=4 569 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|1,0,0]=3 570 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|0,0,2]=4 571 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [0,1,0,1,0,0|2,0,0]=4 572 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B61360 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B8109 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [0,1,0,1,0,0|1,0,0]=3 575 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 B14749 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B37601 [0,1,0,1,0,0|1,0,0]=3 577 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B49030 [0,1,0,1,0,0|1,0,0]=3 578 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [0,1,0,1,0,0|1,0,0]=3 579 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 B49029 [0,1,0,1,0,0|1,0,0]=3 580 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 B48585 [0,1,0,1,0,0|0,0,0]=2 581 B12R2.24 BrC1=CN=C2NCCOC2=C1 B38194 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.24 BrC1=CN=C2OCCOC2=C1 B45348 [0,1,0,1,0,0|1,0,0]=3 583 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 B38889 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C32116 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C49776 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 C23914 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 C49043 [0,1,0,1,0,0|1,0,0]=3 591 B12R2.24 ClC1=NN=C2OCCOC2=C1 C61780 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F38792 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.24 FC1=CC2=C(C=C1)OCCN2 F49619 [0,1,0,1,0,0|1,0,0]=3 594 B12R2.24 IC1=NC2=C(C=C1)OCCN2 K45719 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T63563 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T67419 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.24 NC1=CC2=C(C=C1)OCCO2 D49293 [0,1,0,1,0,0|0,0,0]=2 598 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,1,0,1,0,0|0,0,2]=4 603 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,1,0,1,0,0|0,0,1]=3 604 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.24 OC1=CC2=C(C=C1)CCCN2 H50029 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.24 OC1=CC2=C(C=C1)OCCN2 D49294 [0,1,0,1,0,0|1,0,0]=3 608 B12R2.24 OC1=CC2=C(C=C1)OCCO2 H49092 [0,1,0,1,0,0|0,0,0]=2 609 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,1,0,1,0,0|1,0,0]=3 610 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,1,0,1,0,0|1,0,0]=3 611 B12R2.24 [Mg+]C1=CC2=C(C=C1)OCCO2 D31785 [0,1,0,1,0,0|0,0,0]=2 612 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 B13142 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 F52069 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 A31037 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 H13146 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B13143 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B63650 [0,1,0,1,0,0|2,0,0]=4 619 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C49778 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C63653 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52065 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52067 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 H13147 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 C49041 [0,1,0,1,0,0|1,0,0]=3 625 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 B24181 [0,1,0,1,0,0|0,0,2]=4 626 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 B52030 [0,1,0,1,0,0|1,0,0]=3 627 B12R2.294 BrC1=CN=C(OC2CC2)C=C1 B32064 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 P48813 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,1,0,1,0,0|1,0,0]=3 634 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.22 OC1CN(C2=CC=CC=C2)C1 H14395 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,1,0,1,0,0|1,0,0]=3 643 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P69467 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B14750 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B49764 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.1081 BrC1=C2CCCOC2=CC=C1 B52015 [0,1,0,1,0,0|1,0,0]=3 648 B12R2.1081 BrC1=C2NCCCC2=CC=C1 B49762 [0,1,0,1,0,0|2,0,0]=4 649 B12R2.1081 BrC1=C2NCCOC2=CC=C1 B49028 [0,1,0,1,0,0|1,0,0]=3 650 B12R2.1081 BrC1=C2OCCCC2=CC=C1 B63715 [0,1,0,1,0,0|1,0,0]=3 651 B12R2.1081 BrC1=C2OCCNC2=CC=C1 B49031 [0,1,0,1,0,0|1,0,0]=3 652 B12R2.1081 CC1=CC=CC2=C1CCCN2 M54142 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.1081 CC1=CC=CC2=C1NCCC2 M52879 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.1081 CN1CCNC2=C1C=CC=C2 M52251 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,1,0,1,0,0|2,0,0]=4 658 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,1,0,1,0,0|2,0,0]=4 660 B12R2.1081 ClC1=C2CCCNC2=CC=C1 C36903 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [0,1,0,1,0,0|1,0,0]=3 662 B12R2.1081 FC1=C2CCCNC2=CC=C1 F5341 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.1081 FC1=C2OCCNC2=CC=C1 F49054 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.1081 NC1=CC=CC2=C1C=CCO2 C51750 [0,1,0,1,0,0|1,0,1]=4 665 B12R2.1081 NC1=CC=CC2=C1OCCO2 D3222 [0,1,0,1,0,0|0,0,0]=2 666 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [0,1,0,1,0,0|1,0,0]=3 668 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [0,1,0,1,0,0|1,0,0]=3 669 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [0,1,0,1,0,0|1,0,0]=3 672 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [0,1,0,1,0,0|1,0,0]=3 673 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [0,1,0,1,0,0|1,0,0]=3 674 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [0,1,0,1,0,0|1,0,0]=3 676 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [0,1,0,1,0,0|0,0,1]=3 679 B12R2.1081 O=C1CCOC2=CC=CN=C12 P48464 [0,1,0,1,0,0|1,0,1]=4 680 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [0,1,0,1,0,0|0,0,2]=4 681 B12R2.1081 OC1=C2NCCCC2=CC=C1 H67535 [0,1,0,1,0,0|2,0,0]=4 682 B12R2.1081 OC1=CC=CC2=C1OCCO2 D49104 [0,1,0,1,0,0|0,0,0]=2 683 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,1,0,1,0,0|1,0,0]=3 684 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [0,1,0,1,0,0|1,0,0]=3 686 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 B48072 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 E51753 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 C48088 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B51662 [0,1,0,1,0,0|0,1,1]=4 692 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 B28661 [0,1,0,1,0,0|1,0,1]=4 693 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 B48459 [0,1,0,1,0,0|0,0,1]=3 694 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 B69048 [0,1,0,1,0,0|0,1,1]=4 695 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,1,0,1,0,0|1,0,0]=3 696 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,1,0,1,0,0|0,0,0]=2 697 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N M54145 [0,1,0,1,0,0|2,0,0]=4 698 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 B61894 [0,1,0,1,0,0|2,0,0]=4 699 B12R2.196 N[C@@H]1COC2=C(Cl)C=CC=C21 C49047 [0,1,0,1,0,0|1,0,0]=3 700 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B37290 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49765 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49768 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49777 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49781 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F52070 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.196 O=C1COC2=C(Br)C=CC=C12 B47766 [0,1,0,1,0,0|0,0,2]=4 707 B12R2.196 O[C@H]1CCC2=C(Cl)C=CN=C21 C49044 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49763 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49766 [0,1,0,1,0,0|2,0,0]=4 710 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 F52072 [0,1,0,1,0,0|2,0,0]=4 711 B12R2.203 O=C1COC2=CC=CC(F)=C12 F63171 [0,1,0,1,0,0|0,0,2]=4 712 B12R2.203 O[C@H]1CCC2=CC=CC(Br)=C21 B63750 [0,1,0,1,0,0|1,0,0]=3 713 B12R2.203 O[C@H]1CSC2=CC=CC(Br)=C21 B63765 [0,1,0,1,0,0|0,1,0]=3 714 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,1,0,1,0,0|2,0,0]=4 715 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 B38120 [0,1,0,1,0,0|2,0,0]=4 716 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 C49774 [0,1,0,1,0,0|2,0,0]=4 717 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 F52068 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B36894 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63483 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63647 [0,1,0,1,0,0|2,0,0]=4 721 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63729 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49775 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49782 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C69644 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F52071 [0,1,0,1,0,0|2,0,0]=4 726 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 B37370 [0,1,0,1,0,0|1,0,0]=3 727 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 C49046 [0,1,0,1,0,0|1,0,0]=3 728 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 F49618 [0,1,0,1,0,0|1,0,0]=3 729 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 B47765 [0,1,0,1,0,0|0,0,2]=4 730 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [0,1,0,1,0,0|0,0,2]=4 731 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 B52029 [0,1,0,1,0,0|1,0,0]=3 732 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 C52041 [0,1,0,1,0,0|1,0,0]=3 733 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 F52046 [0,1,0,1,0,0|1,0,0]=3 734 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 B48578 [0,1,0,1,0,0|0,0,0]=2 735 B12R2.1286 BrC1=CC(OC2CC2)=NC=C1 B63371 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 C62726 [0,1,0,1,0,0|1,0,0]=3 737 B12R2.1 BrCC1=NOC2=C1C=CC=C2 B48074 [0,1,0,1,0,0|1,0,1]=4 738 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [0,1,0,1,0,0|2,0,0]=4 739 B12R2.1 ClCC1=COC2=C1C=CC=C2 C51318 [0,1,0,1,0,0|1,0,1]=4 740 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4626 [0,1,0,1,0,0|1,0,1]=4 741 B12R2.1 OCC1=NNC2=C1C=CC=C2 H7713 [0,1,0,1,0,0|1,0,1]=4 742 B12R2.1 OCN1N=NC2=C1C=CC=C2 H45733 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,1,0,1,0,0|1,0,1]=4 744 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 G49884 [0,1,0,1,0,0|0,0,0]=2 745 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [0,1,0,1,0,0|1,0,0]=3 746 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 D15351 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,1,0|2,0,0]=4 750 B8R1.8 CCOC1=NC=CS1 E41172 [1,0,0,0,1,0|2,0,0]=4 751 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,0,1,0|2,0,0]=4 752 B8R1.8 NCCC1=CSC=C1 T1049 [1,0,0,0,1,0|2,0,0]=4 753 B8R1.8 NCCC1=CSC=C1 T10491 [1,0,0,0,1,0|2,0,0]=4 754 B8R1.8 NCCN1C=CC=C1 P41427 [1,0,0,0,1,0|2,0,0]=4 755 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,1,0|1,0,0]=3 756 B8R1.8 OCCC1=CN=CN1 K41362 [1,0,0,0,1,0|2,0,0]=4 757 B8R1.8 OCCC1=CNC=N1 I10449 [1,0,0,0,1,0|2,0,0]=4 758 B8R1.8 OCCC1=CNN=C1 P41192 [1,0,0,0,1,0|2,0,0]=4 759 B8R1.8 OCCC1=CSC=C1 T12832 [1,0,0,0,1,0|1,0,0]=3 760 B8R1.8 OCCN1C=CC=N1 P41188 [1,0,0,0,1,0|2,0,0]=4 761 B8R1.8 OCCN1C=CN=C1 K41193 [1,0,0,0,1,0|2,0,0]=4