0 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 M9125 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.17 CC1=C(OCC#N)C=CC=C1 T51755 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.17 [N-]=[N+]=NCC1=C(F)C=CC=C1 A9130 [0,0,0,0,0,0|2,1,1]=4 7 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,0,0,0,0,0|2,1,0]=4 10 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 CCOC1=CC=CNC1=O E46398 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.4 CCOC1=NC=CN=C1Br B43051 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,0,0,0,0,0|0,0,0]=1 17 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,0,0,0,0,0|0,1,0]=2 19 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,0,0,0,0,0|0,1,0]=2 20 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [1,0,0,0,0,0|1,1,0]=3 21 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [1,0,0,0,0,0|0,0,2]=3 23 B10R1.4 N#CCC1=C(Br)C=CC=N1 B14101 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.4 N#CCC1=C(Br)C=NC=C1 B44760 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [1,0,0,0,0,0|0,1,2]=4 26 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [1,0,0,0,0,0|0,1,2]=4 27 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [1,0,0,0,0,0|0,1,2]=4 28 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.4 N#CCC1=CC=CN=C1Br B44759 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,0,0,0,0,0|0,0,0]=1 32 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,0,0,0,0,0|0,1,0]=2 34 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [1,0,0,0,0,0|1,1,0]=3 38 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [1,0,0,0,0,0|1,1,0]=3 39 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [1,0,0,0,0,0|1,1,0]=3 40 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,0,0,0,0,0|1,1,0]=3 41 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,0,0,0,0,0|1,1,0]=3 43 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,0,0,0,0,0|1,1,0]=3 44 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,0,0,0,0,0|1,1,0]=3 45 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.17 CNCCC1=CC=CN=C1 M46974 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 NCCCC1=CC=NC=C1 P46966 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [1,0,0,0,0,0|2,0,1]=4 68 B12R1.25 COCCN1C=CC=C(N)C1=O A37203 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 A65990 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 B50126 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.121 COC1=C(CCCO)C=CC=C1 M53089 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,1,0,0,0,0|2,1,0]=4 78 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,1,0,0,0,0|2,1,0]=4 80 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 B65350 [0,1,0,0,0,0|1,0,1]=3 81 B12R1.267 COCOCC1=C(Br)C=CC=C1 B65130 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.267 FC1=C(OCCCBr)C=CC=C1 B61962 [0,1,0,0,0,0|2,1,0]=4 83 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 M1596 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 M63870 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [0,1,0,0,0,0|1,1,1]=4 90 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [0,1,0,0,0,0|2,1,0]=4 94 B12R1.374 CCNCC1=C(O)C=CC(Br)=C1 B50254 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 C50261 [0,1,0,0,0,0|3,0,0]=4 96 B10R0.71 CCCCC\C=C\C=C\C=O D68694 [0,0,1,0,0,0|2,0,1]=4 97 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,1,0,0|2,0,0]=3 99 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [0,0,0,1,0,0|2,0,1]=4 105 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 M49208 [0,0,0,1,0,0|2,0,1]=4 106 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,0,0,1,0,0|1,0,0]=2 107 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.41 C1=CC2=C(C=C1)CCNCC2 T10517 [0,0,0,1,0,0|1,0,0]=2 110 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.41 C1=CC2=C(C=C1)OCCNC2 T50030 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.41 C1=CN=C2CCNCCC2=C1 P59935 [0,0,0,1,0,0|2,0,0]=3 114 B12R2.196 CC1=CC=CC2=C1CCC2=O M52415 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N M54145 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 B1701 [0,0,0,1,0,0|3,0,0]=4 117 B12R2.196 CC1=NOC2=C(Br)C=CC=C12 B48076 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 B10874 [0,0,0,1,0,0|0,0,2]=3 119 B12R2.196 CN1C=CC2=C(Br)C=CN=C21 B27068 [0,0,0,1,0,0|1,0,2]=4 120 B12R2.196 CN1C=CC2=C(O)C=CC=C21 M60832 [0,0,0,1,0,0|1,0,2]=4 121 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 B37518 [0,0,0,1,0,0|1,0,1]=3 122 B12R2.196 CN1C=NC2=C(N)C=CC=C21 M49206 [0,0,0,1,0,0|2,0,1]=4 123 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 B2911 [0,0,0,1,0,0|1,0,1]=3 124 B12R2.196 CN1N=CC2=C(Br)C=NC=C21 B16152 [0,0,0,1,0,0|2,0,1]=4 125 B12R2.196 CN1N=CC2=C(I)C=CC=C21 M12426 [0,0,0,1,0,0|1,1,1]=4 126 B12R2.196 CN1N=CC2=C(O)C=CC=C21 M61890 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.196 CN1N=CC2=C1C=CC=C2N A2910 [0,0,0,1,0,0|2,0,1]=4 128 B12R2.196 NC1=CC=CC2=C1CCC2=O A3795 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 B61894 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B37290 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49765 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49768 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49777 [0,0,0,1,0,0|2,1,0]=4 134 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49781 [0,0,0,1,0,0|2,1,0]=4 135 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F52070 [0,0,0,1,0,0|2,1,0]=4 136 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 I0551 [0,0,0,1,0,0|2,0,0]=3 137 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C0554 [0,0,0,1,0,0|2,1,0]=4 138 B12R2.196 O=C1CCC2=C(F)C=CC=C12 F51325 [0,0,0,1,0,0|2,1,0]=4 139 B12R2.196 O=C1CCC2=C1C=CC=C2O H38442 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.196 O=C1COC2=C(Br)C=CC=C12 B47766 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 B14058 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 B47767 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [0,0,0,1,0,0|1,0,0]=2 144 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B14750 [0,0,0,1,0,0|2,0,0]=3 145 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B49764 [0,0,0,1,0,0|2,0,0]=3 146 B12R2.1081 BrC1=C2CCCOC2=CC=C1 B52015 [0,0,0,1,0,0|2,0,0]=3 147 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B14751 [0,0,0,1,0,0|0,0,0]=1 148 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B26536 [0,0,0,1,0,0|0,0,0]=1 149 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B14753 [0,0,0,1,0,0|2,0,0]=3 150 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B49767 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.1081 BrC1=C2CNCCC2=CN=C1 B59994 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.1081 BrC1=C2NCCCC2=CC=C1 B49762 [0,0,0,1,0,0|2,0,0]=3 153 B12R2.1081 BrC1=C2NCCCC2=CN=C1 B8071 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.1081 BrC1=C2NCCOC2=CC=C1 B49028 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.1081 BrC1=C2OCCCC2=CC=C1 B63715 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.1081 BrC1=C2OCCNC2=CC=C1 B49031 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.1081 BrC1=NC=CC2=C1CCCC2 B23969 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.1081 CC1=CC=CC2=C1CCCN2 M54142 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.1081 CC1=CC=CC2=C1NCCC2 M52879 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.1081 ClC1=C2CCCCC2=NC=C1 C49771 [0,0,0,1,0,0|2,1,0]=4 161 B12R2.1081 ClC1=C2CCCNC2=CC=C1 C36903 [0,0,0,1,0,0|2,1,0]=4 162 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49773 [0,0,0,1,0,0|2,1,0]=4 163 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49780 [0,0,0,1,0,0|2,1,0]=4 164 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [0,0,0,1,0,0|2,1,0]=4 165 B12R2.1081 FC1=C2CCCNC2=CC=C1 F5341 [0,0,0,1,0,0|2,1,0]=4 166 B12R2.1081 NC1=CC=CC2=C1CCNC2 T50168 [0,0,0,1,0,0|1,0,0]=2 167 B12R2.1081 NC1=CC=CC2=C1CCNC2 T52129 [0,0,0,1,0,0|1,0,0]=2 168 B12R2.1081 O=C1NC=CC2=C1CCNC2 T4210 [0,0,0,1,0,0|2,0,0]=3 169 B12R2.1081 O=C1NC=CC2=C1CCNC2 T49494 [0,0,0,1,0,0|2,0,0]=3 170 B12R2.1081 O=C1NC=NC2=C1CCNC2 T4088 [0,0,0,1,0,0|3,0,0]=4 171 B12R2.1081 OC1=C2CCCCC2=NC=C1 T63204 [0,0,0,1,0,0|3,0,0]=4 172 B12R2.1081 OC1=C2NCCCC2=CC=C1 H67535 [0,0,0,1,0,0|3,0,0]=4 173 B10R1.29 CCCCC1=C(Br)SC=C1 B46858 [0,0,0,0,1,0|2,0,0]=3 174 B9R1.8 BrCCC1=CC=NC=C1 B46088 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.8 CC#CC1=CC=CC=C1 P68608 [2,0,0,0,0,0|0,0,2]=4 176 B9R1.8 CCCC1=NC=CC=C1 P46859 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.8 CCCC1=NC=CN=C1 P43598 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.8 CCOC1=NC=CC=C1 E46369 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 CNCC1=CC=NC=C1 M43623 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.8 CNCC1=CN=CN=C1 N11436 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.8 CNCC1=CN=NC=C1 M12238 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 CNCC1=CN=NC=C1 M27035 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.8 CNCC1=NC=CC=N1 M14362 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 CNCC1=NC=CC=N1 M31227 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.8 CNCC1=NC=CN=C1 M14584 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.8 CNNC1=CC=CC=C1 M46459 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.8 COCC1=NC=CC=C1 M46377 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [2,0,0,0,0,0|0,0,2]=4 189 B9R1.8 NCCC1=CC=CN=C1 P43605 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.8 NCCC1=NC=CC=C1 P67673 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.8 NCCC1=NC=NC=C1 P14666 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.8 NCCC1=NC=NC=C1 P29961 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.8 NNCC1=CC=CC=C1 B6123 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.8 NNCC1=CC=CC=C1 B68081 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.8 NNCC1=CC=CN=C1 H0097 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.8 NNCC1=CC=CN=C1 H36962 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.8 NNCC1=CC=NC=C1 H0096 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.8 NNCC1=CC=NC=C1 H26285 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.8 NNCC1=NC=CC=C1 H0098 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.8 NOCC1=CC=CC=C1 B68114 [2,0,0,0,0,0|1,0,0]=3 201 B9R1.8 OCCC1=CC=NC=C1 H46381 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.8 OCCC1=CN=CC=C1 P46376 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.8 ONCC1=CC=CC=C1 B36744 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.8 ONCC1=CC=CC=C1 B46575 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [2,0,0,0,0,0|0,0,2]=4 206 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [2,0,0,0,0,0|1,1,0]=4 209 B9R1.15 C#CC1=C(Br)C=CC=C1 B38613 [2,0,0,0,0,0|0,0,2]=4 210 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [2,0,0,0,0,0|0,0,2]=4 211 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.15 CC1=CC=CN=C1CN M46460 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [2,0,0,0,0,0|0,0,0]=2 216 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [2,0,0,0,0,0|1,0,0]=3 220 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [2,0,0,0,0,0|0,0,0]=2 225 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [2,0,0,0,0,0|0,1,0]=3 228 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [2,0,0,0,0,0|1,1,0]=4 229 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [2,0,0,0,0,0|0,1,0]=3 230 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [2,0,0,0,0,0|1,0,0]=3 231 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.15 CNC1=CC=CN=C1Cl C42994 [2,0,0,0,0,0|1,1,0]=4 235 B9R1.15 CNC1=CC=CN=C1N M62813 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.15 CNC1=NC=CC=C1N M43341 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.15 COC1=C(I)C=CC=C1 K68160 [2,0,0,0,0,0|1,1,0]=4 242 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.15 COC1=CC=CN=C1Br B4536 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [2,0,0,0,0,0|1,1,0]=4 247 B9R1.15 N#CC1=C(Br)C=CC=C1 B67862 [2,0,0,0,0,0|0,0,2]=4 248 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [2,0,0,0,0,0|0,0,0]=2 250 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [2,0,0,0,0,0|1,0,0]=3 252 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [2,0,0,0,0,0|0,1,0]=3 253 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [2,0,0,0,0,0|0,1,0]=3 254 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [2,0,0,0,0,0|1,1,0]=4 255 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [2,0,0,0,0,0|1,1,0]=4 256 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [2,0,0,0,0,0|0,1,0]=3 257 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [2,0,0,0,0,0|1,1,0]=4 258 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [2,0,0,0,0,0|1,1,0]=4 259 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [2,0,0,0,0,0|1,1,0]=4 260 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [2,0,0,0,0,0|1,1,0]=4 261 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [2,0,0,0,0,0|0,1,0]=3 262 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.15 NCC1=CC=CN=C1Cl A10464 [2,0,0,0,0,0|1,1,0]=4 267 B9R1.15 NCC1=CC=CN=C1F F43528 [2,0,0,0,0,0|1,1,0]=4 268 B9R1.15 NNC1=C(Br)C=CC=C1 B39273 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.15 NNC1=C(Br)C=NC=C1 B61571 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.15 NNC1=C(Cl)C=CC=C1 C39274 [2,0,0,0,0,0|1,1,0]=4 271 B9R1.15 NNC1=C(F)C=CC=C1 F39286 [2,0,0,0,0,0|1,1,0]=4 272 B9R1.15 NNC1=C(I)C=CC=C1 K43028 [2,0,0,0,0,0|1,1,0]=4 273 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [2,0,0,0,0,0|1,0,1]=4 274 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [2,0,0,0,0,0|1,0,0]=3 275 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.15 OCC1=C(Br)C=NC=C1 B9966 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [2,0,0,0,0,0|1,1,0]=4 278 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [2,0,0,0,0,0|1,1,0]=4 279 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [2,0,0,0,0,0|1,1,0]=4 280 B9R1.15 OCC1=CC=CN=C1Br B69414 [2,0,0,0,0,0|2,0,0]=4 281 B11R1.13 OCCC1=CC=CC(Cl)=C1Cl D49145 [1,1,0,0,0,0|1,1,0]=4 282 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.41 COC1=C(CCBr)C=CC=C1 B50155 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.41 COC1=C(CCN)C=CC=C1 M66296 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.41 COC1=C(CCO)C=CC=C1 M50284 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.41 COC1=C(CNN)C=CC=C1 M12218 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.41 N#CC1=C(CCBr)C=CC=C1 B51450 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.41 N#CCC1=C(CBr)C=CC=C1 B51453 [1,1,0,0,0,0|0,0,2]=4 289 B11R1.41 O=CC1=C(CCBr)C=CC=C1 B52025 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 B64110 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C38144 [1,1,0,0,0,0|1,1,0]=4 293 B11R1.81 CCOC1=C(N)C=C(C)C=C1 E50337 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.81 CCOC1=C(N)C=C(N)C=C1 E46634 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D1582 [1,1,0,0,0,0|0,1,0]=3 296 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D29989 [1,1,0,0,0,0|0,1,0]=3 297 B11R1.81 CNCC1=C(F)C=C(F)C=C1 D49253 [1,1,0,0,0,0|0,1,0]=3 298 B11R1.81 COCC1=C(F)C=C(N)C=C1 F46814 [1,1,0,0,0,0|1,1,0]=4 299 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 B48298 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.81 N#CCC1=C(Br)C=C(Cl)C=C1 B47665 [1,1,0,0,0,0|0,0,2]=4 301 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 B47683 [1,1,0,0,0,0|0,0,2]=4 302 B11R1.81 NCCC1=C(F)C=C(F)C=C1 D69468 [1,1,0,0,0,0|0,1,0]=3 303 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D12478 [1,1,0,0,0,0|1,1,0]=4 304 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D26039 [1,1,0,0,0,0|1,1,0]=4 305 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C12475 [1,1,0,0,0,0|1,1,0]=4 306 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C31594 [1,1,0,0,0,0|1,1,0]=4 307 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 D45883 [1,1,0,0,0,0|1,1,0]=4 308 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 D49147 [1,1,0,0,0,0|1,1,0]=4 309 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [1,1,0,0,0,0|0,0,1]=3 310 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [1,1,0,0,0,0|0,1,1]=4 311 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [1,1,0,0,0,0|0,1,1]=4 312 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 B45140 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [1,1,0,0,0,0|0,1,1]=4 319 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 B62940 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.182 CCOC1=C(Br)C=NC(Cl)=C1 B45875 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.182 COCC1=C(F)C=CC(Br)=C1 B39083 [1,1,0,0,0,0|1,1,0]=4 324 B11R1.182 N#CCC1=C(Br)C=CC(F)=C1 B47684 [1,1,0,0,0,0|0,0,2]=4 325 B11R1.182 NC1=CC(CCO)=C(N)C=C1 D47001 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 D49228 [1,1,0,0,0,0|0,1,0]=3 327 B11R1.182 OCCC1=C(Cl)C=CC(Cl)=C1 D49148 [1,1,0,0,0,0|1,1,0]=4 328 B11R1.182 OCCC1=C(F)C=CC(F)=C1 D49156 [1,1,0,0,0,0|1,1,0]=4 329 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [1,1,0,0,0,0|0,1,1]=4 331 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [1,1,0,0,0,0|0,1,0]=3 335 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [1,1,0,0,0,0|0,1,0]=3 336 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [1,1,0,0,0,0|0,1,0]=3 337 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [1,1,0,0,0,0|0,0,1]=3 339 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [1,1,0,0,0,0|0,1,1]=4 343 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [1,1,0,0,0,0|1,1,0]=4 344 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [1,1,0,0,0,0|1,1,0]=4 345 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [1,1,0,0,0,0|1,1,0]=4 346 B11R1.605 CCOC1=C(F)C=CC=C1F E49153 [1,1,0,0,0,0|1,1,0]=4 347 B11R1.605 N#CCC1=C(Br)C=CC=C1Br D47659 [1,1,0,0,0,0|0,0,2]=4 348 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl D64783 [1,1,0,0,0,0|0,1,0]=3 349 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl D38686 [1,1,0,0,0,0|1,1,0]=4 350 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.24 COCOC1=CC=CC(F)=C1 F49397 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,1,0,0,0,0|1,0,1]=4 419 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.230 CCCCC1=C(Br)SC(Br)=C1 D46637 [0,1,0,0,1,0|2,0,0]=4 421 B13R1.16 CCCCOC1=CC=CC(F)=C1F B52866 [0,2,0,0,0,0|1,1,0]=4 422 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 B51583 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 D61048 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O A61938 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 M52625 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.656 COCCOC1=C(C)C=CC(N)=C1 M53150 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.8919 BrCCCOC1=C(Br)C=CC=C1Br D66605 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.558 CCOCC1=C(Br)C=CC(C#N)=C1 B64826 [0,2,0,0,0,0|2,0,0]=4 429 B11R1.29 CNCCC(=O)C1=CC=CS1 M49532 [0,0,1,1,0,0|2,0,0]=4 430 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [1,0,0,1,0,0|2,0,0]=4 431 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [1,0,0,1,0,0|1,0,1]=4 432 B11R2.10 CN1C=C2C=CC=CC2=N1 M14460 [1,0,0,1,0,0|1,0,1]=4 433 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [1,0,0,1,0,0|1,0,0]=3 434 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [1,0,0,1,0,0|1,0,0]=3 435 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [1,0,0,1,0,0|2,0,0]=4 436 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [1,0,0,1,0,0|2,0,0]=4 437 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [1,0,0,1,0,0|2,0,0]=4 438 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [1,0,0,1,0,0|1,0,0]=3 439 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [1,0,0,1,0,0|2,0,0]=4 440 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [1,0,0,1,0,0|1,0,0]=3 441 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [1,0,0,1,0,0|2,0,0]=4 444 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [1,0,0,1,0,0|2,0,0]=4 445 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [1,0,0,1,0,0|2,0,0]=4 446 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [1,0,0,1,0,0|2,0,0]=4 447 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [1,0,0,1,0,0|2,0,0]=4 448 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [1,0,0,1,0,0|2,0,0]=4 449 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [1,0,0,1,0,0|2,0,0]=4 450 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [1,0,0,1,0,0|2,0,0]=4 451 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [1,0,0,1,0,0|2,0,0]=4 452 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [1,0,0,1,0,0|2,0,0]=4 453 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [1,0,0,1,0,0|2,0,0]=4 454 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [1,0,0,1,0,0|2,0,0]=4 455 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [1,0,0,1,0,0|2,0,0]=4 456 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [1,0,0,1,0,0|2,0,0]=4 457 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [1,0,0,1,0,0|2,0,0]=4 458 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [1,0,0,1,0,0|1,0,0]=3 459 B11R2.55 BrC1=C(C2CC2)N=CN=C1 B45616 [1,0,0,1,0,0|2,0,0]=4 460 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [1,0,0,1,0,0|1,0,0]=3 461 B11R2.55 ClC1=C(C2CC2)C=NC=C1 C48885 [1,0,0,1,0,0|1,1,0]=4 462 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [1,0,0,1,0,0|1,1,0]=4 463 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [1,0,0,1,0,0|1,1,0]=4 464 B11R2.55 NC1=C(C2CC2)C=CC=C1 C37591 [1,0,0,1,0,0|1,0,0]=3 465 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [1,0,0,1,0,0|2,0,0]=4 466 B11R2.55 O=C1NC=CC=C1C2CC2 C49264 [1,0,0,1,0,0|2,0,0]=4 467 B11R2.106 BrC1=C2C=CNC2=CC=C1 B2073 [1,0,0,1,0,0|0,0,2]=4 468 B11R2.106 BrC1=C2C=NNC2=CC=C1 B4874 [1,0,0,1,0,0|1,0,1]=4 469 B11R2.106 BrC1=C2CC=CC2=CC=C1 B38249 [1,0,0,1,0,0|0,0,2]=4 470 B11R2.106 BrC1=C2CCCC2=CC=C1 B10979 [1,0,0,1,0,0|0,0,0]=2 471 B11R2.106 BrC1=C2CCNC2=CC=C1 B48872 [1,0,0,1,0,0|0,0,0]=2 472 B11R2.106 BrC1=C2CCNC2=CN=C1 B60365 [1,0,0,1,0,0|1,0,0]=3 473 B11R2.106 BrC1=C2CCNC2=NC=C1 B19352 [1,0,0,1,0,0|1,0,0]=3 474 B11R2.106 BrC1=C2CNCC2=CC=C1 B5333 [1,0,0,1,0,0|0,0,0]=2 475 B11R2.106 BrC1=C2COCC2=CC=C1 B19438 [1,0,0,1,0,0|1,0,0]=3 476 B11R2.106 BrC1=C2N=CNC2=CC=C1 B25582 [1,0,0,1,0,0|1,0,1]=4 477 B11R2.106 BrC1=C2NCCC2=CN=C1 B8070 [1,0,0,1,0,0|2,0,0]=4 478 B11R2.106 BrC1=C2OCCC2=CC=C1 B22264 [1,0,0,1,0,0|1,0,0]=3 479 B11R2.106 BrC1=C2OCOC2=CC=C1 B24818 [1,0,0,1,0,0|2,0,0]=4 480 B11R2.106 BrC1=CC=CC2=CNN=C12 B38806 [1,0,0,1,0,0|1,0,1]=4 481 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [1,0,0,1,0,0|1,0,0]=3 482 B11R2.106 ClC1=C2CCCC2=NC=C1 C48883 [1,0,0,1,0,0|1,1,0]=4 483 B11R2.106 ClC1=C2CCNC2=CC=C1 C48879 [1,0,0,1,0,0|0,1,0]=3 484 B11R2.106 ClC1=C2CCNC2=NC=C1 C30162 [1,0,0,1,0,0|1,1,0]=4 485 B11R2.106 ClC1=C2CNCC2=CC=C1 C36885 [1,0,0,1,0,0|0,1,0]=3 486 B11R2.106 ClC1=NC=CC2=C1CCN2 C14624 [1,0,0,1,0,0|1,1,0]=4 487 B11R2.106 ClC1=NC=CC2=C1CCN2 C5708 [1,0,0,1,0,0|1,1,0]=4 488 B11R2.106 FC1=C2CNCC2=CC=C1 F37051 [1,0,0,1,0,0|0,1,0]=3 489 B11R2.106 FC1=C2NCCC2=CC=C1 F49614 [1,0,0,1,0,0|1,1,0]=4 490 B11R2.106 IC1=C2CCCC2=CC=C1 K51671 [1,0,0,1,0,0|0,1,0]=3 491 B11R2.106 NC1=C2OCCC2=CC=C1 A64522 [1,0,0,1,0,0|2,0,0]=4 492 B11R2.106 NC1=CC=CC2=C1CCN2 K46638 [1,0,0,1,0,0|1,0,0]=3 493 B11R2.106 NC1=CC=CC2=C1CCO2 A12891 [1,0,0,1,0,0|2,0,0]=4 494 B11R2.106 NC1=CC=CC2=C1CNC2 K49654 [1,0,0,1,0,0|1,0,0]=3 495 B11R2.106 O=C1C=CC=C2NCCN12 D45988 [1,0,0,1,0,0|2,0,0]=4 496 B11R2.106 OC1=C2CCCC2=CC=C1 K49868 [1,0,0,1,0,0|1,0,0]=3 497 B11R2.106 OC1=C2CCNC2=NC=C1 D62930 [1,0,0,1,0,0|2,0,0]=4 498 B11R2.106 OC1=C2CNCC2=CC=C1 K49644 [1,0,0,1,0,0|1,0,0]=3 499 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [1,0,0,1,0,0|2,0,0]=4 500 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,1,0,0|1,0,1]=4 501 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [1,0,0,1,0,0|0,0,2]=4 502 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [1,0,0,1,0,0|1,0,1]=4 503 B11R2.1 CN1N=CC2=C1C=CC=C2 M14463 [1,0,0,1,0,0|1,0,1]=4 504 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [1,0,0,1,0,0|2,0,0]=4 505 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [1,0,0,1,0,0|2,0,0]=4 506 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [1,0,0,1,0,0|2,0,0]=4 507 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [1,0,0,1,0,0|2,0,0]=4 508 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [1,0,0,1,0,0|2,0,0]=4 509 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [1,0,0,1,0,0|2,0,0]=4 510 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [1,0,0,1,0,0|2,0,0]=4 511 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [1,0,0,1,0,0|2,0,0]=4 512 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [1,0,0,1,0,0|2,0,0]=4 513 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [1,0,0,1,0,0|1,0,0]=3 514 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O M54547 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 B64112 [0,1,0,1,0,0|1,0,1]=4 516 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2Br B51006 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2Br B63747 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 A11338 [0,1,0,1,0,0|1,0,0]=3 519 B13R2.155 CN1CCC2=NC=C(N)C=C2C1 A50325 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 D54824 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.3742 CC1=CC(Br)=C2CCC(=O)C2=C1 B54048 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.3742 O=C1CCC2=C(Br)C=C(Br)C=C12 D51005 [0,1,0,1,0,0|2,0,0]=4 523 B13R2.3742 O=C1CCC2=C(Br)C=C(Cl)C=C12 B37133 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.3742 O=C1CCC2=C(Br)C=C(F)C=C12 B51011 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 D54551 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M65198 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M67244 [0,1,0,1,0,0|1,0,0]=3 528 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54146 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54148 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.57 OC[C@H]1CCC2=C(C=CC=C2)N1 T36847 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 H53029 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.573 CN1N=CC2=C(CBr)C=CC=C21 B5776 [0,1,0,1,0,0|1,0,1]=4 533 B13R2.1613 O=CC1=C2CCCCC2=CC=C1 T54552 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.1613 OCC1=C2CCCCC2=CC=C1 T54761 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.3587 BrC1=C(OCC2CC2)C=CC=C1 B5006 [0,1,0,1,0,0|1,0,0]=3 536 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 M52932 [0,1,0,1,0,0|1,0,0]=3 537 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2N1 B51514 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 C64114 [0,1,0,1,0,0|1,1,0]=4 539 B13R2.18 BrC1=C(C2OCCO2)C=CC=C1 B51886 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 B36999 [0,1,0,1,0,0|1,0,0]=3 541 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 B52722 [0,1,0,1,0,0|1,0,0]=3 542 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 B52735 [0,1,0,1,0,0|1,0,0]=3 543 B13R2.18 BrC1=C([C@H]2CCCN2)C=CC=C1 B63753 [0,1,0,1,0,0|1,0,0]=3 544 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 B52732 [0,1,0,1,0,0|0,0,0]=2 545 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 C52746 [0,1,0,1,0,0|1,1,0]=4 546 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 F25056 [0,1,0,1,0,0|1,1,0]=4 547 B13R2.18 OC1=C(C2CCCC2)C=CC=C1 C62518 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.18 OC1=C([C@@H]2CCCN2)C=CC=C1 P54147 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N M55486 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.342 CC1=CC=CC2=C1CCC[C@H]2N M54825 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.342 CC1=CC=CC2=C1CCNC2=O M69560 [0,1,0,1,0,0|1,0,1]=4 552 B13R2.342 N[C@@H]1CCCC2=C(Br)C=CC=C21 B63754 [0,1,0,1,0,0|1,0,0]=3 553 B13R2.342 N[C@@H]1CCOC2=C(Br)C=CC=C21 B49855 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52725 [0,1,0,1,0,0|1,0,0]=3 555 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52737 [0,1,0,1,0,0|1,0,0]=3 556 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52742 [0,1,0,1,0,0|1,0,0]=3 557 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 F52751 [0,1,0,1,0,0|1,1,0]=4 558 B13R2.342 N[C@H]1CCOC2=C(Br)C=CC=C21 B63649 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.342 O=C1CCCC2=C(Br)C=CC=C12 B9400 [0,1,0,1,0,0|1,0,1]=4 560 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 B61125 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.342 O=C1CCSC2=C(Br)C=CC=C12 B63749 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.342 O=C1NCCC2=C(Br)C=CC=C12 B51519 [0,1,0,1,0,0|0,0,1]=3 563 B13R2.342 O=C1NCCC2=C(F)C=CC=C12 F51538 [0,1,0,1,0,0|0,1,1]=4 564 B13R2.3097 CC1=C([C@@H](N)C2CC2)C=CC=C1 C55482 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.3097 N[C@@H](C1=C(F)C=CC=C1)C2CC2 C54125 [0,1,0,1,0,0|1,1,0]=4 566 B13R2.3097 N[C@H](C1=C(F)C=CC=C1)C2CC2 C54127 [0,1,0,1,0,0|1,1,0]=4 567 B13R2.3569 NC1(C2=C(Br)C=CC=C2)COC1 A8582 [0,1,0,1,0,0|1,0,0]=3 568 B13R2.3569 NC1(C2=C(F)C=CC=C2)COC1 F8583 [0,1,0,1,0,0|1,1,0]=4 569 B13R2.3569 OC1(C2=C(Br)C=NC=C2)CCC1 B39000 [0,1,0,1,0,0|2,0,0]=4 570 B13R2.4857 CC1=NN(C)C2=CC=CC(Br)=C21 B16849 [0,1,0,1,0,0|1,0,1]=4 571 B13R2.4825 CC1=NC2=C(Br)C=CC=C2N1C B63349 [0,1,0,1,0,0|1,0,1]=4 572 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 B3855 [0,1,0,1,0,0|0,0,1]=3 573 B13R2.4825 C[C@H]1CC2=C(Br)C=CC=C2C1=O B54047 [0,1,0,1,0,0|2,0,0]=4 574 B13R2.371 NC1=C2CNCCC2=C(Br)C=C1 B49980 [0,1,0,1,0,0|0,0,0]=2 575 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 M54237 [0,1,0,1,0,0|1,0,0]=3 576 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 M52933 [0,1,0,1,0,0|1,0,0]=3 577 B13R2.5151 CC1=C2C(=O)CCC2=C(Br)C=C1 B54049 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.5151 O=C1CCC2=C(Br)C=CC(Cl)=C12 B51007 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.5151 O=C1CCC2=C(Br)C=CC(F)=C12 B51012 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.12 CCCCC1=CSC=C1 B47048 [1,0,0,0,1,0|2,0,0]=4