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|3,0,0]=3 2 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 C=COCC1=CC=CC=C1 B26636 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 18 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.17 NCCOC1=CC=NC=C1 P46588 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.17 [N-]=[N+]=NCC1=NC=CC=C1 A8446 [0,0,0,0,0,0|3,0,1]=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|0,0,2]=3 32 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,0|2,0,0]=3 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|2,0,0]=3 36 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 CNCC1=CN=CN=C1 N11436 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 CNCC1=CN=NC=C1 M12238 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 CNCC1=CN=NC=C1 M27035 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 CNCC1=NC=CC=N1 M14362 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 CNCC1=NC=CC=N1 M31227 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|0,0,2]=3 46 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 NNCC1=CC=CN=N1 H13970 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.8 NNCC1=CC=NC=C1 H0096 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 NNCC1=CC=NC=C1 H26285 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 NNCC1=CN=CN=C1 H0219 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.8 NNCC1=CN=NC=C1 H12257 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 NNCC1=NC=CC=N1 H7463 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 NNCC1=NC=CN=C1 H7534 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|0,0,2]=3 76 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 A9118 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.1 CCOCC1=CN=C(Cl)C=C1 C62281 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.1 COCOC1=CN=C(Cl)C=C1 C46141 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C49149 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.1 FC1=CC=C(OCCBr)C=C1 B49139 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 C15567 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.1 NCCOC1=CC=C(F)C=C1 F46812 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.1 NCCOC1=CC=C(F)C=C1 F49512 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.1 [N-]=[N+]=NCC1=CC=C(Br)C=C1 A9122 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.1 [N-]=[N+]=NCC1=CC=C(Cl)C=C1 A9120 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 A9119 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 M9125 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.17 CC1=C(OCC#N)C=CC=C1 T51755 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.17 [N-]=[N+]=NCC1=C(F)C=CC=C1 A9130 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.24 CC1=CC=CC(CN=[N+]=[N-])=C1 M9126 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.24 COCOC1=CC=CC(F)=C1 F49397 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.24 FCCOC1=CC=CC(F)=C1 D49152 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.24 [N-]=[N+]=NCC1=CC=CC(F)=C1 A9128 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,1,0,0,0,0|2,0,0]=3 189 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,0,0,1,0,0|1,0,1]=3 190 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [0,0,0,1,0,0|0,0,2]=3 194 B11R2.1 CN1C=CC2=NC=CC=C21 M36638 [0,0,0,1,0,0|1,0,2]=4 195 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [0,0,0,1,0,0|1,0,1]=3 196 B11R2.1 CN1N=CC2=C1C=CC=C2 M14463 [0,0,0,1,0,0|1,0,1]=3 197 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.1 ClN1N=NC2=C1C=CC=C2 C5012 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [0,0,0,1,0,0|1,0,2]=4 202 B11R2.1 NN1N=CC2=C1C=CC=C2 K45720 [0,0,0,1,0,0|2,0,1]=4 203 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,0,0,1,0,0|2,0,0]=3 204 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,0,0,1,0,0|2,0,0]=3 205 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,0,0,1,0,0|2,0,0]=3 206 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,0,0,1,0,0|3,0,0]=4 209 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,0,0,1,0,0|3,0,0]=4 210 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [0,0,0,1,0,0|3,0,0]=4 213 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,0,0,1,0,0|2,0,0]=3 214 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,0,0,1,0,0|2,0,0]=3 215 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,0,0,1,0,0|2,0,0]=3 216 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,0,0,1,0,0|2,0,0]=3 218 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,0,0,1,0,0|2,0,0]=3 219 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,0,0,1,0,0|1,0,0]=2 220 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,0,0,1,0,0|2,0,0]=3 221 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,0,0,1,0,0|2,0,0]=3 223 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,0,0,1,0,0|3,0,0]=4 224 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [0,0,0,1,0,0|2,0,0]=3 226 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [0,0,0,1,0,0|3,0,0]=4 227 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [0,0,0,1,0,0|1,0,0]=2 228 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [0,0,0,1,0,0|1,0,0]=2 229 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [0,0,0,1,0,0|1,0,0]=2 230 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [0,0,0,1,0,0|1,0,0]=2 231 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,0,0,1,0,0|2,0,0]=3 232 B11R2.20 C1=CN=C2CCCCC2=N1 T39429 [0,0,0,1,0,0|3,0,0]=4 233 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [0,0,0,1,0,0|1,0,0]=2 235 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [0,0,0,1,0,0|1,0,0]=2 236 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [0,0,0,1,0,0|1,0,0]=2 237 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [0,0,0,1,0,0|1,0,0]=2 238 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [0,0,0,1,0,0|1,0,0]=2 239 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [0,0,0,1,0,0|1,0,0]=2 240 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,0,0,1,0,0|3,0,0]=4 241 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [0,0,0,1,0,0|2,0,0]=3 242 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [0,0,0,1,0,0|2,0,0]=3 243 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [0,0,0,1,0,0|2,0,0]=3 244 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [0,0,0,1,0,0|2,0,0]=3 245 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [0,0,0,1,0,0|2,0,0]=3 246 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,0,0,1,0,0|1,0,0]=2 247 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,0,0,1,0,0|2,0,0]=3 248 B9R1.12 CCCCC1=CSC=C1 B47048 [0,0,0,0,1,0|2,0,0]=3 249 B9R1.12 CCCCC1=NC=CN1 B43788 [0,0,0,0,1,0|3,0,0]=4 250 B9R1.12 CCOCC1=CC=CO1 E38338 [0,0,0,0,1,0|3,0,0]=4 251 B9R1.12 ICCCC1=CC=CS1 K46278 [0,0,0,0,1,0|3,0,0]=4 252 B9R1.12 N#CCCN1C=CC=C1 P45971 [0,0,0,0,1,0|3,0,0]=4 253 B9R1.12 OCCCC1=CC=CS1 T36724 [0,0,0,0,1,0|3,0,0]=4 254 B8R1.2 BrCC1=CC=NC=C1 B36897 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.2 CNC1=CN=CN=C1 M29839 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 CNC1=CN=NC=C1 M38382 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 CNC1=NC=CN=C1 M41140 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 ClCC1=CC=NC=C1 C68845 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.2 NCC1=CC=CN=N1 A0031 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 NCC1=CC=CN=N1 P29569 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 NCC1=CC=NC=C1 P67743 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 NCC1=CN=CN=C1 P0028 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 NCC1=CN=CN=C1 P29548 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 NCC1=CN=NC=C1 A0027 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 NCC1=CN=NC=C1 P41350 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 NCC1=NC=CC=N1 A7421 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 NCC1=NC=CC=N1 P0030 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 NCC1=NC=CN=C1 P0029 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 NCC1=NC=CN=C1 P4303 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 NCC1=NC=NC=C1 A0032 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 NCC1=NC=NC=C1 A10198 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 NCC1=NC=NC=C1 P23754 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.2 NNC1=CC=CN=C1 H0043 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 NNC1=CC=CN=C1 H41349 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 NNC1=CC=NC=C1 H0042 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 NNC1=NC=CC=C1 H38511 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|1,0,0]=3 289 B8R1.2 OCC1=CC=NC=C1 P43429 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 OCC1=CC=NC=C1 P67894 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|1,0,0]=3 294 B10R0.71 CCCCC\C=C\C=C\C=O D68694 [0,1,1,0,0,0|1,0,1]=4 295 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,1,0,0,0,0|0,0,2]=4 296 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [1,1,0,0,0,0|0,0,2]=4 325 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [1,1,0,0,0,0|0,0,2]=4 326 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [1,1,0,0,0,0|0,0,2]=4 327 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,1,0,0,0,0|0,0,2]=4 328 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,1,0,0,0,0|0,0,2]=4 349 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.4 CCOC1=CC=CNC1=O E46398 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|0,0,0]=2 358 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [1,1,0,0,0,0|0,0,2]=4 363 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [1,1,0,0,0,0|0,0,2]=4 364 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [1,1,0,0,0,0|0,0,2]=4 365 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [1,1,0,0,0,0|0,0,2]=4 366 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,1,0,0,0,0|0,0,0]=2 369 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,1,0,0,0,0|0,0,0]=2 371 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,1,0,0,0,0|0,0,0]=2 372 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [1,1,0,0,0,0|0,0,2]=4 384 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.10 CCNC1=NC=CC(N)=C1 A43751 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|0,0,0]=2 402 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|0,0,0]=2 403 B10R1.10 CNCC1=NC=CC(Cl)=C1 C46305 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [1,1,0,0,0,0|0,0,2]=4 406 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [1,1,0,0,0,0|0,0,2]=4 407 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [1,1,0,0,0,0|0,0,2]=4 408 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [1,1,0,0,0,0|0,0,2]=4 409 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [1,1,0,0,0,0|0,0,2]=4 410 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,1,0,0,0,0|0,0,0]=2 414 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,1,0,0,0,0|0,0,0]=2 416 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,1,0,0,0,0|0,0,2]=4 428 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,1,0,0,0,0|0,0,2]=4 429 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,1,0,0,0,0|0,0,1]=3 430 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,1,0,0,0,0|0,0,0]=2 437 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,1,0,0,0,0|0,0,0]=2 438 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,1,0,0,0,0|0,0,0]=2 440 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,1,0,0,0,0|0,0,0]=2 441 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,1,0,0,0,0|0,0,0]=2 442 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,1,0,0,0,0|0,0,0]=2 445 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,1,0,0,0,0|0,0,2]=4 460 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,1,0,0,0,0|0,0,1]=3 465 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,1,0,0,0,0|0,0,1]=3 467 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.21 CCCCCC1=CC=CS1 P50457 [0,1,0,0,1,0|2,0,0]=4 470 B10R1.29 CCCCC1=C(Br)SC=C1 B46858 [0,1,0,0,1,0|2,0,0]=4 471 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.1 COCCOC1=CC=C(Br)C=C1 B36726 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.1 COCCOC1=CC=C(N)C=C1 M50360 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.1 FC1=CC=C(OCCCCl)C=C1 C68838 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.1 N#CCCOC1=CC=C(Br)C=C1 B51509 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.16 C=CC[C@@H](N)C1=CC=C(F)C=C1 F54124 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 A52258 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A50260 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A63764 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 A50262 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [0,2,0,0,0,0|1,0,1]=4 497 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [0,2,0,0,0,0|1,0,1]=4 498 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 F49198 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 A65990 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 B50126 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.71 C#CC1=CC=C(CCCC)C=C1 B55853 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.71 C#CC1=CC=C(OCCC)C=C1 E54537 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.71 CCCOC1=CC=C(C=O)C=C1 P2642 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.71 CCNCC1=CC=C(OC)C=C1 M53139 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.71 COC1=CC=C(CCCN)C=C1 M53143 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.71 N#CC1=CC=C(CCCO)C=C1 H52548 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.17 C=CC[C@H](N)C1=CC=CC(Cl)=C1 C62600 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.30 C#CCN[C@@H](C)C1=CC=CC=C1 P54604 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [0,2,0,0,0,0|0,0,0]=2 513 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [0,2,0,0,0,0|0,0,2]=4 516 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 M54755 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [0,2,0,0,0,0|0,0,0]=2 528 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.25 COCCN1C=CC=C(N)C1=O A37203 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.121 COC1=C(CCCO)C=CC=C1 M53089 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 B65350 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.267 COCOCC1=C(Br)C=CC=C1 B65130 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.267 FC1=C(OCCCBr)C=CC=C1 B61962 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.374 CCNCC1=C(O)C=CC(Br)=C1 B50254 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 C50261 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.28 CCCCOC1=NC=CC(N)=C1 B50398 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.28 COCCOC1=NC=CC(Br)=C1 B46775 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 A50259 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.382 CCNCC1=CC=CC(OC)=C1 M53138 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.8 BrCCCCOC1=CC=CC=C1 B53012 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.8 CCCCCCC1=CC=NC=C1 H54975 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.8 [N-]=[N+]=NCOCC1=CC=CC=C1 A9115 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.252 CC(C)OCCC1=NC=CC=C1 P63699 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [0,2,0,0,0,0|0,0,0]=2 600 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.118 CCN(CC)CC1=CC=CC=C1 B60762 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,2,0,0,0,0|0,0,0]=2 614 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 D60075 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 P46628 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [0,2,0,0,0,0|2,0,0]=4 619 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|1,0,0]=3 620 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|1,0,0]=3 621 B10R2.6 C1=CN=C(C2CC2)N=C1 C14647 [1,0,0,1,0,0|2,0,0]=4 622 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|0,0,0]=2 623 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,1,0,0|1,0,1]=4 624 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [1,0,0,1,0,0|1,0,1]=4 625 B10R2.7 C1=CC2=C(C=C1)NN=N2 B38421 [1,0,0,1,0,0|2,0,0]=4 626 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|1,0,0]=3 627 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|2,0,0]=4 628 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,1,0,0|2,0,0]=4 629 B10R2.7 C1=CC2=C(C=N1)CNC2 D3869 [1,0,0,1,0,0|1,0,0]=3 630 B10R2.7 C1=CC2=C(C=N1)COC2 D46549 [1,0,0,1,0,0|2,0,0]=4 631 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [1,0,0,1,0,0|1,0,0]=3 632 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [1,0,0,1,0,0|1,0,0]=3 633 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,1,0,0|1,0,0]=3 634 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [1,0,0,1,0,0|1,0,0]=3 635 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [1,0,0,1,0,0|1,0,0]=3 636 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,1,0,0|1,0,0]=3 637 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,1,0,0|1,0,0]=3 638 B10R2.7 C1=NC=C2CNCC2=N1 D14103 [1,0,0,1,0,0|2,0,0]=4 639 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|1,0,0]=3 640 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|1,0,1]=4 641 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B61360 [0,1,0,1,0,0|2,0,0]=4 643 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B8109 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B11621 [0,1,0,1,0,0|0,0,0]=2 646 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B5487 [0,1,0,1,0,0|0,0,0]=2 647 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 B52019 [0,1,0,1,0,0|1,0,0]=3 648 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B14752 [0,1,0,1,0,0|0,0,0]=2 649 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B15726 [0,1,0,1,0,0|0,0,0]=2 650 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 B14749 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.24 BrC1=CN=C2CCCCC2=C1 B63820 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.24 BrC1=CN=C2CCNCC2=C1 B4035 [0,1,0,1,0,0|1,0,0]=3 654 B12R2.24 BrC1=CN=C2CCNCC2=C1 B5101 [0,1,0,1,0,0|1,0,0]=3 655 B12R2.24 BrC1=CN=C2CNCCC2=C1 B14777 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.24 BrC1=CN=C2CNCCC2=C1 B31695 [0,1,0,1,0,0|1,0,0]=3 657 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [0,1,0,1,0,0|0,0,0]=2 659 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [0,1,0,1,0,0|0,0,0]=2 660 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,1,0,1,0,0|1,0,0]=3 662 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C32116 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C49776 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.24 ClC1=CC2=C(C=C1)CCN=C2 C51457 [0,1,0,1,0,0|0,0,2]=4 665 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49772 [0,1,0,1,0,0|0,0,0]=2 666 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49779 [0,1,0,1,0,0|0,0,0]=2 667 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 C67678 [0,1,0,1,0,0|0,0,0]=2 668 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 C23914 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 C36781 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C4158 [0,1,0,1,0,0|1,0,0]=3 671 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C49172 [0,1,0,1,0,0|1,0,0]=3 672 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 C19722 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 C18597 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 C5775 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.24 ClC1=NN=C2CCNCC2=C1 C14032 [0,1,0,1,0,0|2,0,0]=4 676 B12R2.24 FC1=CC2=C(C=C1)CNCC2 F60960 [0,1,0,1,0,0|0,0,0]=2 677 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F38792 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T63563 [0,1,0,1,0,0|2,0,0]=4 679 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T67419 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T52130 [0,1,0,1,0,0|0,0,0]=2 681 B12R2.24 NC1=CN=C2CCNCC2=C1 T49518 [0,1,0,1,0,0|1,0,0]=3 682 B12R2.24 NC1=NC2=C(C=N1)CNCC2 T46596 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,1,0,1,0,0|1,0,0]=3 684 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,1,0,1,0,0|1,0,0]=3 686 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,1,0,1,0,0|1,0,0]=3 687 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.24 O=C1C=CC2=C(CCNC2)N1 T39057 [0,1,0,1,0,0|1,0,0]=3 689 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,1,0,1,0,0|1,0,1]=4 692 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [0,1,0,1,0,0|1,0,0]=3 693 B12R2.24 OC1=CC2=C(C=C1)CCCN2 H50029 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T38163 [0,1,0,1,0,0|0,0,0]=2 695 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T67068 [0,1,0,1,0,0|0,0,0]=2 696 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [0,1,0,1,0,0|2,0,0]=4 697 B12R2.24 OC1=CN=C2CCCCC2=C1 T38906 [0,1,0,1,0,0|2,0,0]=4 698 B12R2.24 OC1=CN=C2CCNCC2=C1 T4034 [0,1,0,1,0,0|1,0,0]=3 699 B12R2.24 OC1=NC2=C(C=N1)CNCC2 T38314 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,1,0,1,0,0|1,0,0]=3 702 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.132 CC1=CC2=C(C=C1)N=CN2C D49714 [0,1,0,1,0,0|1,0,1]=4 704 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 B51448 [0,1,0,1,0,0|0,0,2]=4 705 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 M52056 [0,1,0,1,0,0|0,0,2]=4 706 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 B48316 [0,1,0,1,0,0|1,0,1]=4 707 B12R2.132 CN1C=NC2=C1C=C(N)C=C2 M49207 [0,1,0,1,0,0|1,0,1]=4 708 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 B2921 [0,1,0,1,0,0|1,0,1]=4 709 B12R2.132 CN1N=CC2=C1C=C(Cl)C=C2 C9578 [0,1,0,1,0,0|1,0,1]=4 710 B12R2.132 CN1N=CC2=C1C=C(F)C=C2 F9573 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.132 CN1N=CC2=C1C=C(I)C=C2 K48347 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 A2913 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.132 CN1N=NC2=C1C=C(Br)C=C2 B45284 [0,1,0,1,0,0|2,0,0]=4 714 B12R2.132 NC1=CC2=C(C=C1)CCC2=O A4485 [0,1,0,1,0,0|2,0,0]=4 715 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 B13142 [0,1,0,1,0,0|2,0,0]=4 716 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 F52069 [0,1,0,1,0,0|2,0,0]=4 717 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 A31037 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 H13146 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B13143 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B63650 [0,1,0,1,0,0|2,0,0]=4 721 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C49778 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C63653 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52065 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52067 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 H13147 [0,1,0,1,0,0|2,0,0]=4 726 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 B13141 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 C13148 [0,1,0,1,0,0|2,0,0]=4 728 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 F51322 [0,1,0,1,0,0|2,0,0]=4 729 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 D9500 [0,1,0,1,0,0|2,0,0]=4 730 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 H51556 [0,1,0,1,0,0|2,0,0]=4 731 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 B52030 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 B8588 [0,1,0,1,0,0|1,0,0]=3 733 B12R2.2302 NC1=CC=C(C2COC2)C=C1 X17674 [0,1,0,1,0,0|1,0,0]=3 734 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 P8797 [0,1,0,1,0,0|2,0,0]=4 735 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [0,1,0,1,0,0|1,0,0]=3 736 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,1,0,1,0,0|1,0,0]=3 737 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,1,0,1,0,0|1,0,0]=3 738 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,1,0,1,0,0|1,0,0]=3 739 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,1,0,1,0,0|1,0,0]=3 740 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,1,0,1,0,0|1,0,0]=3 741 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [0,1,0,1,0,0|0,0,0]=2 742 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [0,1,0,1,0,0|0,0,0]=2 743 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [0,1,0,1,0,0|0,0,0]=2 744 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [0,1,0,1,0,0|0,0,0]=2 745 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 P14241 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P60923 [0,1,0,1,0,0|1,0,0]=3 747 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P64140 [0,1,0,1,0,0|1,0,0]=3 748 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P52249 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P67466 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.2 C1=CN=CC([C@H]2CCCN2)=C1 P52248 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [0,1,0,1,0,0|1,0,0]=3 752 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [0,1,0,1,0,0|1,0,0]=3 753 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,1,0,1,0,0|1,0,0]=3 754 B12R2.22 OC1CN(C2=CC=CC=C2)C1 H14395 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,1,0,1,0,0|1,0,0]=3 756 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P69467 [0,1,0,1,0,0|1,0,0]=3 757 B12R2.116 NC1(C2=CC=CC=C2)COC1 P7034 [0,1,0,1,0,0|1,0,0]=3 758 B12R2.116 OC1(C2=CC=CC=C2)CNC1 H11459 [0,1,0,1,0,0|0,0,0]=2 759 B12R2.116 OC1(C2=CC=CC=C2)COC1 P1182 [0,1,0,1,0,0|1,0,0]=3 760 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [0,1,0,1,0,0|1,0,0]=3 761 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B14750 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B49764 [0,1,0,1,0,0|2,0,0]=4 763 B12R2.1081 BrC1=C2CCCOC2=CC=C1 B52015 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B14751 [0,1,0,1,0,0|0,0,0]=2 765 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B26536 [0,1,0,1,0,0|0,0,0]=2 766 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B14753 [0,1,0,1,0,0|0,0,0]=2 767 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B49767 [0,1,0,1,0,0|0,0,0]=2 768 B12R2.1081 BrC1=C2CNCCC2=CN=C1 B59994 [0,1,0,1,0,0|1,0,0]=3 769 B12R2.1081 BrC1=C2NCCCC2=CC=C1 B49762 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.1081 BrC1=C2OCCCC2=CC=C1 B63715 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.1081 BrC1=NC=CC2=C1CCCC2 B23969 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.1081 CC1=CC=CC2=C1CCCN2 M54142 [0,1,0,1,0,0|2,0,0]=4 773 B12R2.1081 CC1=CC=CC2=C1NCCC2 M52879 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.1081 CN1CCNC2=C1C=CC=C2 M52251 [0,1,0,1,0,0|0,0,0]=2 775 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,1,0,1,0,0|0,0,0]=2 776 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,1,0,1,0,0|0,0,0]=2 777 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,1,0,1,0,0|1,0,0]=3 778 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,1,0,1,0,0|1,0,0]=3 779 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,1,0,1,0,0|0,0,0]=2 780 B12R2.1081 ClC1=C2CCCCC2=NC=C1 C49771 [0,1,0,1,0,0|2,0,0]=4 781 B12R2.1081 ClC1=C2CCCNC2=CC=C1 C36903 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49773 [0,1,0,1,0,0|0,0,0]=2 783 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49780 [0,1,0,1,0,0|0,0,0]=2 784 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.1081 FC1=C2CCCNC2=CC=C1 F5341 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.1081 NC1=CC=CC2=C1CCNC2 T50168 [0,1,0,1,0,0|0,0,0]=2 787 B12R2.1081 NC1=CC=CC2=C1CCNC2 T52129 [0,1,0,1,0,0|0,0,0]=2 788 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,1,0,1,0,0|1,0,0]=3 789 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 T66114 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,1,0,1,0,0|1,0,0]=3 793 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 D66113 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 T52250 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 A12037 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [0,1,0,1,0,0|2,0,0]=4 799 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [0,1,0,1,0,0|2,0,0]=4 800 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [0,1,0,1,0,0|0,0,0]=2 801 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [0,1,0,1,0,0|1,0,0]=3 802 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [0,1,0,1,0,0|1,0,0]=3 803 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [0,1,0,1,0,0|2,0,0]=4 804 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [0,1,0,1,0,0|2,0,0]=4 805 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [0,1,0,1,0,0|1,0,1]=4 806 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [0,1,0,1,0,0|1,0,1]=4 807 B12R2.1081 O=C1NC=CC2=C1CCNC2 T4210 [0,1,0,1,0,0|1,0,0]=3 808 B12R2.1081 O=C1NC=CC2=C1CCNC2 T49494 [0,1,0,1,0,0|1,0,0]=3 809 B12R2.1081 O=C1NC=NC2=C1CCNC2 T4088 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [0,1,0,1,0,0|0,0,1]=3 811 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [0,1,0,1,0,0|1,0,1]=4 812 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [0,1,0,1,0,0|1,0,1]=4 813 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [0,1,0,1,0,0|1,0,1]=4 814 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [0,1,0,1,0,0|1,0,1]=4 815 B12R2.1081 OC1=C2CCCCC2=NC=C1 T63204 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.1081 OC1=C2NCCCC2=CC=C1 H67535 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,1,0,1,0,0|1,0,0]=3 818 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D52502 [0,1,0,1,0,0|0,0,2]=4 821 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 D49693 [0,1,0,1,0,0|1,0,1]=4 822 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 B12796 [0,1,0,1,0,0|1,0,1]=4 823 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 I14462 [0,1,0,1,0,0|1,0,1]=4 824 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,1,0,1,0,0|1,0,1]=4 825 B12R2.2075 O[C@H](C1=CN=CC=C1)C2CC2 A50027 [0,1,0,1,0,0|2,0,0]=4 826 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [0,1,0,1,0,0|1,0,1]=4 827 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 M49208 [0,1,0,1,0,0|1,0,1]=4 828 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,1,0,1,0,0|0,0,0]=2 829 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,1,0,1,0,0|2,0,0]=4 830 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.196 CC1=CC=CC2=C1CCC2=O M52415 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N M54145 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 B10874 [0,1,0,1,0,0|0,0,2]=4 834 B12R2.196 CN1C=CC2=C(O)C=CC=C21 M60832 [0,1,0,1,0,0|0,0,2]=4 835 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 B37518 [0,1,0,1,0,0|1,0,1]=4 836 B12R2.196 CN1C=NC2=C(N)C=CC=C21 M49206 [0,1,0,1,0,0|1,0,1]=4 837 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 B2911 [0,1,0,1,0,0|1,0,1]=4 838 B12R2.196 CN1N=CC2=C(I)C=CC=C21 M12426 [0,1,0,1,0,0|1,0,1]=4 839 B12R2.196 CN1N=CC2=C(O)C=CC=C21 M61890 [0,1,0,1,0,0|1,0,1]=4 840 B12R2.196 CN1N=CC2=C1C=CC=C2N A2910 [0,1,0,1,0,0|1,0,1]=4 841 B12R2.196 NC1=CC=CC2=C1CCC2=O A3795 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 B61894 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B37290 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49765 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49768 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49777 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49781 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F52070 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 I0551 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C0554 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.196 O=C1CCC2=C(F)C=CC=C12 F51325 [0,1,0,1,0,0|2,0,0]=4 852 B12R2.196 O=C1CCC2=C1C=CC=C2O H38442 [0,1,0,1,0,0|2,0,0]=4 853 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 M52416 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.203 CC1=CC=CC2=C1N(C)N=C2 D49706 [0,1,0,1,0,0|1,0,1]=4 855 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 B48318 [0,1,0,1,0,0|1,0,1]=4 856 B12R2.203 CN1N=CC2=C1C(N)=CC=C2 A2914 [0,1,0,1,0,0|1,0,1]=4 857 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 B2922 [0,1,0,1,0,0|1,0,1]=4 858 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49763 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49766 [0,1,0,1,0,0|2,0,0]=4 860 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 F52072 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 B64882 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 C51316 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.203 O=C1CCC2=CC=CC(F)=C12 F51324 [0,1,0,1,0,0|2,0,0]=4 864 B12R2.203 O=C1CCC2=CC=CC(O)=C12 H51557 [0,1,0,1,0,0|2,0,0]=4 865 B12R2.203 O[C@H]1CCC2=CC=CC(Br)=C21 B63750 [0,1,0,1,0,0|2,0,0]=4 866 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,1,0,1,0,0|2,0,0]=4 868 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 B51447 [0,1,0,1,0,0|0,0,2]=4 869 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 M16073 [0,1,0,1,0,0|0,0,2]=4 870 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 M37572 [0,1,0,1,0,0|0,0,2]=4 871 B12R2.612 CN1C=CC2=C1C=CC([Mg+])=C2 M8400 [0,1,0,1,0,0|0,0,2]=4 872 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 B48313 [0,1,0,1,0,0|1,0,1]=4 873 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 M49200 [0,1,0,1,0,0|1,0,1]=4 874 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 M38761 [0,1,0,1,0,0|1,0,1]=4 875 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 B2917 [0,1,0,1,0,0|1,0,1]=4 876 B12R2.612 CN1N=CC2=C1C=CC(I)=C2 K9720 [0,1,0,1,0,0|1,0,1]=4 877 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 A2912 [0,1,0,1,0,0|1,0,1]=4 878 B12R2.612 CN1N=CC2=C1C=CC(O)=C2 M25239 [0,1,0,1,0,0|1,0,1]=4 879 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 B45283 [0,1,0,1,0,0|2,0,0]=4 880 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [0,1,0,1,0,0|2,0,0]=4 881 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 B38120 [0,1,0,1,0,0|2,0,0]=4 882 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 C49774 [0,1,0,1,0,0|2,0,0]=4 883 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 F52068 [0,1,0,1,0,0|2,0,0]=4 884 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B36894 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63483 [0,1,0,1,0,0|2,0,0]=4 886 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63647 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63729 [0,1,0,1,0,0|2,0,0]=4 888 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49775 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49782 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C69644 [0,1,0,1,0,0|2,0,0]=4 891 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F52071 [0,1,0,1,0,0|2,0,0]=4 892 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [0,1,0,1,0,0|2,0,0]=4 896 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [0,1,0,1,0,0|2,0,0]=4 897 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 B52029 [0,1,0,1,0,0|2,0,0]=4 898 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 C52041 [0,1,0,1,0,0|2,0,0]=4 899 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 F52046 [0,1,0,1,0,0|2,0,0]=4 900 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 C62726 [0,1,0,1,0,0|2,0,0]=4 901 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 B8384 [0,1,0,1,0,0|1,0,0]=3 902 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [0,1,0,1,0,0|1,0,1]=4 903 B12R2.1 ClCN1N=NC2=C1C=CC=C2 C45296 [0,1,0,1,0,0|2,0,0]=4 904 B12R2.1 OCN1N=NC2=C1C=CC=C2 H45733 [0,1,0,1,0,0|2,0,0]=4 905 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,1,0,1,0,0|1,0,1]=4 906 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 G49884 [0,1,0,1,0,0|1,0,0]=3 907 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [0,1,0,1,0,0|0,0,0]=2 908 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,1,0,1,0,0|0,0,2]=4 909 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 M20444 [0,1,0,1,0,0|1,0,1]=4 910 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,1,0,1,0,0|1,0,1]=4 911 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,1,0,1,0,0|0,0,2]=4 912 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 M61297 [0,1,0,1,0,0|1,0,1]=4 913 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,1,0,0|2,0,0]=4 914 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,1,0,1,0,0|2,0,0]=4 915 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,1,0,1,0,0|2,0,0]=4 916 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 D15351 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 D10522 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,1,0|1,0,0]=3 919 B8R1.8 CCCC1=NC=CN1 P68616 [1,0,0,0,1,0|2,0,0]=4 920 B8R1.8 CCCC1=NC=CS1 P43394 [1,0,0,0,1,0|2,0,0]=4 921 B8R1.8 CNCC1=CC=CS1 M43398 [1,0,0,0,1,0|1,0,0]=3 922 B8R1.8 CNCC1=CSC=C1 M43396 [1,0,0,0,1,0|1,0,0]=3 923 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,0,1,0|1,0,0]=3 924 B8R1.8 NCCC1=CN=CS1 T41396 [1,0,0,0,1,0|2,0,0]=4 925 B8R1.8 NCCC1=CSC=C1 T1049 [1,0,0,0,1,0|1,0,0]=3 926 B8R1.8 NCCC1=CSC=C1 T10491 [1,0,0,0,1,0|1,0,0]=3 927 B8R1.8 NCCC1=NC=CN1 K41400 [1,0,0,0,1,0|2,0,0]=4 928 B8R1.8 NCCN1C=CC=C1 P41427 [1,0,0,0,1,0|1,0,0]=3 929 B8R1.8 NCCN1C=CN=C1 K41369 [1,0,0,0,1,0|2,0,0]=4 930 B8R1.8 NCCN1C=CN=C1 K41399 [1,0,0,0,1,0|2,0,0]=4 931 B8R1.8 NNCC1=CC=CS1 H13973 [1,0,0,0,1,0|2,0,0]=4 932 B8R1.8 NNCC1=CSC=C1 H13972 [1,0,0,0,1,0|2,0,0]=4 933 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,1,0|2,0,0]=4 934 B8R1.8 OCCC1=CSC=C1 T12832 [1,0,0,0,1,0|2,0,0]=4