0 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.41 COC1=C(CC#N)C=CC=C1 M62292 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.41 COC1=C(CCBr)C=CC=C1 B50155 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.41 COC1=C(CCN)C=CC=C1 M66296 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.41 COC1=C(CCO)C=CC=C1 M50284 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.41 COC1=C(CNN)C=CC=C1 M12218 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.41 N#CC1=C(CCBr)C=CC=C1 B51450 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.41 N#CCC1=C(C#N)C=CC=C1 C50793 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.41 N#CCC1=C(C=O)C=CC=C1 F37431 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.41 N#CCC1=C(CBr)C=CC=C1 B51453 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.41 O=CC1=C(CCBr)C=CC=C1 B52025 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.4 CC1=C(N=C=S)C=CC=C1 M60893 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [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|3,0,0]=4 16 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,0,0,0,0,0|0,0,0]=1 31 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.20 C#CC1=C(OC)C=CC=C1 E38630 [1,0,0,0,0,0|0,0,2]=3 42 B10R1.20 C#CC1=CC=CN=C1OC E48442 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.20 C=CC1=C(CO)C=CC=C1 V49872 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.20 CCC1=NC=CN=C1OC E43629 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.20 CNC1=C(C=O)C=CC=C1 M49260 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.20 CNC1=C(CO)C=CC=C1 M38311 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.20 CNC1=C(CO)C=CC=N1 M43647 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.20 CNC1=C(NC)C=CC=C1 D46973 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.20 COC1=C(C#N)C=CC=C1 M67889 [1,0,0,0,0,0|0,0,2]=3 53 B10R1.20 COC1=C(C#N)C=CN=C1 M62177 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.20 COC1=C(C#N)C=NC=C1 M45212 [1,0,0,0,0,0|1,0,2]=4 55 B10R1.20 COC1=C(C#N)N=CC=C1 M45211 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.20 COC1=C(C=O)C=CC=C1 A69129 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.20 COC1=C(C=O)C=CC=N1 M4987 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.20 COC1=C(C=O)C=CN=C1 M32191 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.20 COC1=C(C=O)C=NC=C1 M45822 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.20 COC1=C(CBr)C=CC=N1 B26711 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.20 COC1=C(CBr)C=CC=N1 B46181 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [1,0,0,0,0,0|0,0,0]=1 63 B10R1.20 COC1=C(CN)C=CN=C1 M46465 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.20 COC1=C(CN)N=CC=C1 M46464 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.20 COC1=C(CO)C=NC=C1 M46401 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.20 COC1=C(CO)N=CC=C1 M46400 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.20 COC1=C(OC)C=NC=C1 D37489 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.20 COC1=CC=CN=C1C=O M3691 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.20 COC1=CC=CN=C1OC D1095 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.20 COC1=CN=CN=C1OC D43216 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.20 COC1=CNC=NC1=NN H41211 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.20 COC1=NC=CC=C1C#N M12736 [1,0,0,0,0,0|1,0,2]=4 74 B10R1.20 COC1=NC=CC=C1CN A12723 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.20 COC1=NC=CC=C1CN A7689 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.20 COC1=NC=CC=C1CO M12722 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.20 COC1=NC=CC=C1NN H43549 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.20 COC1=NC=CN=C1CN M43353 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.20 COC1=NC=CN=C1NN H41209 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.20 N#CC1=C(CBr)C=CC=C1 C39464 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.20 N#CC1=C(CN)C=CC=C1 A49610 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.20 N#CC1=C(CO)C=CC=C1 H36906 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.20 N#CC1=C(NN)C=CC=C1 H37662 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.20 NCC1=C(CO)C=CC=C1 A46911 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.20 NCC1=C(CO)C=CC=N1 A46594 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.20 OCC1=C(CBr)C=CC=C1 B39077 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.20 OCC1=C(CO)C=CC=C1 B60807 [1,0,0,0,0,0|3,0,0]=4 88 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 M64892 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [0,1,0,0,0,0|1,0,1]=3 90 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [0,1,0,0,0,0|0,0,1]=2 91 B12R1.77 CC[C@H](C)C1=NC=CN=C1OC B50399 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 B51907 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 A52119 [0,1,0,0,0,0|0,0,1]=2 94 B12R1.77 COC1=C([C@H](N)CO)C=CC=C1 A52183 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.112 CCOC1=NC=C(Br)C=C1OC B46774 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.112 COC1=C(CC#N)C=CC(Br)=C1 B51513 [0,1,0,0,0,0|0,0,2]=3 97 B12R1.112 COC1=C(CC#N)C=CC(F)=C1 F51537 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.121 COC1=C(CCCO)C=CC=C1 M53089 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.121 COC1=C(OCCBr)C=CC=C1 B50122 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.121 COC1=C(OCCN)C=CC=C1 M39585 [0,1,0,0,0,0|0,0,0]=1 103 B12R1.121 COC1=C(OCCN)C=CC=C1 M50361 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.268 COC1=C(CC#N)C=C(Br)C=C1 B51518 [0,1,0,0,0,0|0,0,2]=3 105 B12R1.268 COC1=C(CC#N)C=C(Cl)C=C1 C51524 [0,1,0,0,0,0|0,0,2]=3 106 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 A64045 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.283 O=[N+]([O-])C1=C(CCO)C=CC=C1 N49305 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.1112 COC1=CC=CC(F)=C1CC#N F51536 [0,1,0,0,0,0|0,0,2]=3 109 B12R2.1 BrCC1=NOC2=C1C=CC=C2 B48074 [0,0,0,1,0,0|2,0,1]=4 110 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [0,0,0,1,0,0|2,0,1]=4 111 B12R2.1 ClCC1=COC2=C1C=CC=C2 C51318 [0,0,0,1,0,0|1,0,2]=4 112 B12R2.1 NCC1=CNC2=C1C=CC=C2 K22443 [0,0,0,1,0,0|1,0,2]=4 113 B12R2.1 NCC1=NNC2=C1C=CC=C2 I14709 [0,0,0,1,0,0|2,0,1]=4 114 B12R2.1 NCC1=NNC2=C1C=CC=C2 K49688 [0,0,0,1,0,0|2,0,1]=4 115 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,0,0,1,0,0|1,0,2]=4 116 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 M61297 [0,0,0,1,0,0|2,0,1]=4 117 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,0,0,1,0,0|3,0,0]=4 119 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,0,0,1,0,0|1,0,0]=2 123 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,0,0,1,0,0|1,0,0]=2 124 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,0,0,1,0,0|1,0,0]=2 125 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,0,0,1,0,0|1,0,0]=2 126 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,0,0,1,0,0|2,0,0]=3 127 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,0,1,0,0|2,0,1]=4 128 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,0,0,1,0,0|2,0,1]=4 129 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.41 C1=CC2=C(C=C1)CCNCC2 T10517 [0,0,0,1,0,0|1,0,0]=2 132 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [0,0,0,1,0,0|2,0,0]=3 134 B12R2.41 C1=CC2=C(C=C1)OCCNC2 T50030 [0,0,0,1,0,0|2,0,0]=3 135 B12R2.41 C1=CN=C2CCNCCC2=C1 P59935 [0,0,0,1,0,0|2,0,0]=3 136 B12R2.315 C#CC1=C2CCCC2=CC=C1 E64381 [0,0,0,1,0,0|2,0,1]=4 137 B12R2.315 C=CC1=CC=CC2=C1CCO2 V52413 [0,0,0,1,0,0|2,0,1]=4 138 B12R2.315 COC1=C2C=CNC2=CC=C1 M2322 [0,0,0,1,0,0|0,0,2]=3 139 B12R2.315 COC1=C2C=CNC2=CN=C1 M15509 [0,0,0,1,0,0|1,0,2]=4 140 B12R2.315 COC1=C2C=CNC2=NC=C1 M3804 [0,0,0,1,0,0|1,0,2]=4 141 B12R2.315 COC1=C2C=NNC2=CC=C1 M7685 [0,0,0,1,0,0|1,0,1]=3 142 B12R2.315 COC1=C2C=NNC2=NC=C1 M45737 [0,0,0,1,0,0|2,0,1]=4 143 B12R2.315 COC1=C2CNCC2=CC=C1 M52105 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.315 COC1=C2NC=CC2=CC=C1 M2324 [0,0,0,1,0,0|2,0,1]=4 145 B12R2.315 COC1=C2NC=NC2=CC=C1 M48806 [0,0,0,1,0,0|1,0,2]=4 146 B12R2.315 COC1=C2NN=CC2=CC=C1 M12706 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.315 COC1=C2OC=CC2=CC=C1 M51551 [0,0,0,1,0,0|2,0,1]=4 148 B12R2.315 COC1=CC=CC2=C1C=CS2 M63543 [0,0,0,1,0,0|1,0,2]=4 149 B12R2.315 COC1=NC=CC2=C1C=CN2 M15512 [0,0,0,1,0,0|1,0,2]=4 150 B12R2.315 O=CC1=C2CCOC2=CC=C1 D3694 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.315 OCC1=C2CCNC2=CC=C1 K50018 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.1081 CN1CCNC2=C1C=CC=C2 M52251 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,0,0,1,0,0|1,0,0]=2 154 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,0,0,1,0,0|1,0,0]=2 155 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [0,0,0,1,0,0|2,0,0]=3 161 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.2048 NCC1=C(C2CC2)C=CC=C1 C17017 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.2048 OCC1=C(C2CC2)C=CC=C1 C32417 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.8 BrCCC1=CC=NC=C1 B46088 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.8 CCCC1=NC=CC=C1 P46859 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.8 NCCC1=CC=CN=C1 P43605 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.8 NCCC1=NC=CC=C1 P67673 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.8 NCCC1=NC=NC=C1 P14666 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.8 NCCC1=NC=NC=C1 P29961 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.8 NNCC1=CC=CC=C1 B6123 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 NNCC1=CC=CC=C1 B68081 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.8 NNCC1=CC=CN=C1 H0097 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 NNCC1=CC=CN=C1 H36962 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.8 NNCC1=CC=NC=C1 H0096 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 NNCC1=CC=NC=C1 H26285 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 NNCC1=NC=CC=C1 H0098 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.8 NOCC1=CC=CC=C1 B68114 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.8 OCCC1=CC=NC=C1 H46381 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.8 OCCC1=CN=CC=C1 P46376 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 ONCC1=CC=CC=C1 B36744 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.8 ONCC1=CC=CC=C1 B46575 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.15 C#CC1=C(N)C=CC=C1 E24087 [2,0,0,0,0,0|1,0,1]=4 190 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [2,0,0,0,0,0|0,0,2]=4 191 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [2,0,0,0,0,0|1,0,1]=4 192 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [2,0,0,0,0,0|0,0,0]=2 200 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [2,0,0,0,0,0|1,0,0]=3 201 B9R1.15 CC1=C(CN)N=NC=C1 M60279 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.15 CC1=CC=CN=C1CCl C14758 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.15 CC1=CC=CN=C1CCl C46105 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.15 CC1=CC=CN=C1CN M46460 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.15 CC1=CC=CN=C1CO H46388 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.15 CC1=CN=NC=C1CN A14785 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.15 CC1=NC=CN=C1CN A11549 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [2,0,0,0,0,0|0,0,0]=2 217 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.15 CCC1=NC=CN=C1C E43603 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.15 CNC1=CC=CN=C1N M62813 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.15 CNC1=NC=CC=C1N M43341 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.15 COC1=C(F)C=CC=N1 F42926 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.15 COC1=C(I)C=CC=C1 K68160 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.15 COC1=C(I)C=CC=N1 K42933 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.15 COC1=C(I)C=NC=C1 K42934 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.15 COC1=C(N)C=NC=C1 A43191 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.15 COC1=C(N)N=CC=C1 A69248 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.15 COC1=C(N)N=CN=C1 M24946 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.15 COC1=CC=CN=C1Br B4536 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.15 COC1=CC=CN=C1Cl C24085 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.15 COC1=CC=CN=C1F F42924 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.15 COC1=CC=CN=C1I K62151 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.15 COC1=NC=CC=C1C M46378 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.15 COC1=NC=CC=C1N A12743 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.15 COC1=NC=CN=C1C M39278 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.15 COC1=NC=CN=C1N M32096 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [2,0,0,0,0,0|1,1,0]=4 254 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.15 N#CC1=C(N)C=CC=C1 A68606 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [2,0,0,0,0,0|0,0,2]=4 257 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [2,0,0,0,0,0|0,0,0]=2 273 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [2,0,0,0,0,0|0,0,0]=2 274 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [2,0,0,0,0,0|1,0,0]=3 275 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [2,0,0,0,0,0|1,0,0]=3 276 B9R1.15 NCC1=CC=CN=C1Cl A10464 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.15 NCC1=CC=CN=C1F F43528 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.15 NNC1=C(Br)C=CC=C1 B39273 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.15 NNC1=C(Cl)C=CC=C1 C39274 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.15 NNC1=C(F)C=CC=C1 F39286 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.15 NNC1=C(I)C=CC=C1 K43028 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [2,0,0,0,0,0|2,0,0]=4 287 B11R1.13 CC1=C(F)C=CC=C1CC#N F51462 [1,1,0,0,0,0|0,0,2]=4 288 B11R1.13 OCCC1=CC=CC(Cl)=C1Cl D49145 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 M9125 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.17 CC1=C(OCC#N)C=CC=C1 T51755 [1,1,0,0,0,0|0,0,2]=4 292 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [1,1,0,0,0,0|0,0,0]=2 293 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 B48298 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.81 NCCC1=C(F)C=C(F)C=C1 D69468 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D12478 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D26039 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C12475 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C31594 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 D45883 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 D49147 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 F51464 [1,1,0,0,0,0|0,0,2]=4 307 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 D52506 [1,1,0,0,0,0|0,0,2]=4 308 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.182 NC1=CC(CCO)=C(N)C=C1 D47001 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 D49228 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.182 OCCC1=C(Cl)C=CC(Cl)=C1 D49148 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.182 OCCC1=C(F)C=CC(F)=C1 D49156 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [1,1,0,0,0,0|0,0,2]=4 314 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl D64783 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl D38686 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.37 CCC1=C(C=O)C=CC(Br)=C1 B37466 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 B50154 [1,1,0,0,0,0|0,0,0]=2 331 B11R1.37 COC1=C(C#N)C=C(Br)C=C1 B61484 [1,1,0,0,0,0|0,0,2]=4 332 B11R1.37 COC1=C(C#N)C=C(C)C=C1 M24107 [1,1,0,0,0,0|0,0,2]=4 333 B11R1.37 COC1=C(C#N)C=C(Cl)C=C1 C48087 [1,1,0,0,0,0|0,0,2]=4 334 B11R1.37 COC1=C(C#N)C=C(N)C=C1 A48803 [1,1,0,0,0,0|0,0,2]=4 335 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 B38474 [1,1,0,0,0,0|0,0,2]=4 336 B11R1.37 COC1=C(C#N)C=CC(C)=C1 M51760 [1,1,0,0,0,0|0,0,2]=4 337 B11R1.37 COC1=C(C#N)C=CC(F)=C1 F37947 [1,1,0,0,0,0|0,0,2]=4 338 B11R1.37 COC1=C(C#N)C=CC(N)=C1 A67804 [1,1,0,0,0,0|0,0,2]=4 339 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 B39487 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.37 COC1=C(C=O)C=C(C)C=C1 M65814 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 C48600 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.37 COC1=C(C=O)C=C(F)C=C1 F37864 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.37 COC1=C(C=O)C=C(O)C=C1 H49101 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 B48577 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.37 COC1=C(C=O)C=CC(C)=C1 M49887 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 C48598 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.37 COC1=C(C=O)C=CC(F)=C1 F38615 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.37 COC1=C(C=O)C=CC(O)=C1 H68872 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.37 COC1=C(CBr)C=C(Br)C=C1 B49131 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.37 COC1=C(CBr)C=C(F)C=C1 B49141 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 B38655 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 B45872 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.37 COC1=C(CN)C=C(Br)C=C1 B38149 [1,1,0,0,0,0|0,0,0]=2 354 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 C46807 [1,1,0,0,0,0|0,0,0]=2 355 B11R1.37 COC1=C(CN)C=C(N)C=C1 A49668 [1,1,0,0,0,0|0,0,0]=2 356 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46323 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46325 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.37 COC1=C(CN)C=CC(F)=C1 F46817 [1,1,0,0,0,0|0,0,0]=2 359 B11R1.37 COC1=C(CO)C=C(Br)C=C1 B65332 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.37 COC1=C(CO)C=C(F)C=C1 F49396 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.37 COC1=C(CO)C=CC(Br)=C1 B49376 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.37 COC1=C(CO)C=CC(Br)=N1 B46129 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.37 COC1=C(CO)C=CC(O)=C1 H4698 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 C46330 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.37 COC1=C(OC)C=C(Br)C=C1 B39520 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.37 COC1=C(OC)C=C(F)C=C1 F49393 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.37 COC1=C(OC)C=C(I)C=C1 K49399 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.37 COC1=C(OC)C=C(N)C=C1 D39436 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.37 COC1=C(OC)C=C([Mg+])C=C1 D31789 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.37 COC1=C(OC)N=C(I)C=C1 K62513 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.37 COC1=CC(Br)=CN=C1OC B46127 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.37 COC1=CC(Cl)=NC=C1CO C63126 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.37 COC1=CC=C(N)N=C1OC D43649 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.37 COC1=NC=C(Br)C=C1CN A10481 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.37 COC1=NC=C(Br)C=C1CO B12770 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.37 COC1=NC=C(F)C=C1CO F32261 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 B11974 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.53 CCC1=C(B(O)O)C=CC=C1 E3120 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 E49881 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 M38276 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.53 COC1=C(B(O)O)C=CC=C1 M4260 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.53 COC1=C(C(C)=O)C=CC=N1 M49287 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.53 COC1=C(C(C)=O)C=CN=C1 M49288 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.53 COC1=C(C(C)=O)C=NC=C1 M29754 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.53 COC1=C(C(N)=O)C=CC=C1 M60565 [1,1,0,0,0,0|0,0,1]=3 387 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M50344 [1,1,0,0,0,0|0,0,0]=2 388 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M60510 [1,1,0,0,0,0|0,0,0]=2 389 B11R1.53 COC1=CC=CN=C1C(C)=O M27805 [1,1,0,0,0,0|1,0,1]=4 390 B11R1.53 C[C@H](O)C1=C(C#N)C=CC=C1 H51759 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.53 NCC1=C(B(O)O)C=CC=C1 A46469 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.53 NCC1=C(B(O)O)C=CC=C1 A69207 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.265 COC1=C(Br)C=CC=C1C#N B48069 [1,1,0,0,0,0|0,0,2]=4 394 B11R1.265 COC1=C(Br)C=CC=C1C=O B48575 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.265 COC1=C(C#N)C(C)=CC=C1 M51761 [1,1,0,0,0,0|0,0,2]=4 396 B11R1.265 COC1=C(C#N)C(N)=CC=C1 A48799 [1,1,0,0,0,0|0,0,2]=4 397 B11R1.265 COC1=C(C=O)C(C)=CC=C1 M24211 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.265 COC1=C(C=O)C(O)=CC=C1 H49100 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.265 COC1=C(C=O)C=CC=C1C M49886 [1,1,0,0,0,0|1,0,1]=4 400 B11R1.265 COC1=C(C=O)C=CC=C1O H62382 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.265 COC1=C(Cl)C=CC=C1C=O C48597 [1,1,0,0,0,0|1,0,1]=4 402 B11R1.265 COC1=C(F)C=CC=C1C#N F63472 [1,1,0,0,0,0|0,0,2]=4 403 B11R1.265 COC1=C(F)C=CC=C1CO F49395 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.265 COC1=C(OC)C(C)=CC=C1 D67105 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.265 COC1=C(OC)C(C)=NC=C1 D46919 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.265 COC1=CC=CC(Br)=C1C#N B48068 [1,1,0,0,0,0|0,0,2]=4 407 B11R1.265 COC1=CC=CC(Br)=C1C=O B48574 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.265 COC1=CC=CC(Br)=C1OC B32213 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.265 COC1=CC=CC(Cl)=C1C=O C48596 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.265 COC1=CC=CC(F)=C1C#N F39470 [1,1,0,0,0,0|0,0,2]=4 411 B11R1.265 COC1=CC=CC(F)=C1C=O F48619 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.265 COC1=CC=CC(F)=C1CN F46815 [1,1,0,0,0,0|0,0,0]=2 413 B11R1.265 COC1=CC=CC(F)=C1CN F49513 [1,1,0,0,0,0|0,0,0]=2 414 B13R1.51 COC1=C(CC(=O)O)C=CC(Br)=C1 B51976 [0,2,0,0,0,0|1,0,1]=4 415 B13R1.89 COC1=C([C@@H](C)C(=O)O)C=CC=C1 M38985 [0,2,0,0,0,0|1,0,1]=4 416 B13R1.89 COC1=C([C@@H](N)C(=O)O)C=CC=C1 A50095 [0,2,0,0,0,0|1,0,1]=4 417 B13R1.91 COC(=O)CC1=C(OC)C=CC=C1 M52820 [0,2,0,0,0,0|1,0,1]=4 418 B13R1.91 COC1=C(NC(=O)CCl)C=CC=C1 C49814 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.380 N#CCC1=C(OC(F)F)C=CC=C1 D51242 [0,2,0,0,0,0|0,0,2]=4 420 B13R1.2135 COC1=CC=CC(F)=C1CC(=O)O F51998 [0,2,0,0,0,0|1,0,1]=4 421 B13R1.3089 COC1=C(CC(=O)O)C=C(F)C=C1 F38602 [0,2,0,0,0,0|1,0,1]=4 422 B13R1.382 CCOC1=C(C(=O)NN)C=CC=C1 E50176 [0,2,0,0,0,0|1,0,1]=4 423 B13R1.382 COC(=O)C1=C(CC#N)C=CC=C1 M68999 [0,2,0,0,0,0|0,0,2]=4 424 B13R1.382 COC(=O)C1=C(CCBr)C=CC=C1 M52619 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.382 COC(=O)C1=C(CCN)C=CC=C1 M54159 [0,2,0,0,0,0|0,0,0]=2 426 B13R1.2209 COC1=C(C(=O)CBr)C=C(Cl)C=C1 B51573 [0,2,0,0,0,0|1,0,1]=4 427 B13R1.1248 CCOC1=C(OCC)C=C(N)C=C1 D53146 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 D53155 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 D61717 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.1249 COC1=CC(OC)=C(CON)C=C1 D38297 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 M52828 [0,2,0,0,0,0|1,0,0]=3 432 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 M64054 [0,2,0,0,0,0|1,0,1]=4 433 B13R1.485 CCOC1=C(OCCBr)C=CC=C1 E53005 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.485 CCOC1=C(OCCN)C=CC=C1 E53147 [0,2,0,0,0,0|0,0,0]=2 435 B13R1.485 CCOC1=C(OCCO)C=CC=C1 E53093 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 E52560 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 E66599 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.3911 CNCC1=CC=CC(OC)=C1OC D54203 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.280 COC1=CC(CN)=C(Br)C=C1 B46795 [0,0,1,1,0,0|1,0,1]=4 440 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [1,0,0,1,0,0|1,0,0]=3 441 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [1,0,0,1,0,0|1,0,1]=4 444 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [1,0,0,1,0,0|1,0,1]=4 445 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [1,0,0,1,0,0|1,0,0]=3 446 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [1,0,0,1,0,0|1,0,0]=3 447 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [1,0,0,1,0,0|2,0,0]=4 448 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [1,0,0,1,0,0|1,0,0]=3 449 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [1,0,0,1,0,0|2,0,0]=4 450 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [1,0,0,1,0,0|2,0,0]=4 451 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [1,0,0,1,0,0|1,0,0]=3 452 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [1,0,0,1,0,0|1,0,0]=3 453 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [1,0,0,1,0,0|1,0,0]=3 454 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [1,0,0,1,0,0|1,0,0]=3 455 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [1,0,0,1,0,0|2,0,0]=4 456 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [1,0,0,1,0,0|1,0,0]=3 457 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [1,0,0,1,0,0|1,0,0]=3 458 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [1,0,0,1,0,0|1,0,0]=3 459 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [1,0,0,1,0,0|1,0,0]=3 460 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [1,0,0,1,0,0|1,0,0]=3 461 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [1,0,0,1,0,0|1,0,0]=3 462 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [1,0,0,1,0,0|2,0,0]=4 463 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [1,0,0,1,0,0|2,0,0]=4 464 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [1,0,0,1,0,0|2,0,0]=4 465 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [1,0,0,1,0,0|2,0,0]=4 466 B11R2.55 NC1=C(C2CC2)C=CC=C1 C37591 [1,0,0,1,0,0|2,0,0]=4 467 B11R2.106 BrC1=C2CCCC2=CC=C1 B10979 [1,0,0,1,0,0|2,0,0]=4 468 B11R2.106 BrC1=C2CCNC2=CC=C1 B48872 [1,0,0,1,0,0|1,0,0]=3 469 B11R2.106 BrC1=C2CCNC2=CN=C1 B60365 [1,0,0,1,0,0|2,0,0]=4 470 B11R2.106 BrC1=C2CCNC2=NC=C1 B19352 [1,0,0,1,0,0|2,0,0]=4 471 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [1,0,0,1,0,0|1,0,0]=3 472 B11R2.106 CC1=CC=CC2=C1C=CN2 M2328 [1,0,0,1,0,0|0,0,2]=4 473 B11R2.106 CC1=CC=CC2=C1C=NN2 M9759 [1,0,0,1,0,0|1,0,1]=4 474 B11R2.106 ClC1=C2CCNC2=CC=C1 C48879 [1,0,0,1,0,0|1,0,0]=3 475 B11R2.106 ClC1=C2CCNC2=NC=C1 C30162 [1,0,0,1,0,0|2,0,0]=4 476 B11R2.106 ClC1=NC=CC2=C1CCN2 C14624 [1,0,0,1,0,0|2,0,0]=4 477 B11R2.106 ClC1=NC=CC2=C1CCN2 C5708 [1,0,0,1,0,0|2,0,0]=4 478 B11R2.106 IC1=C2CCCC2=CC=C1 K51671 [1,0,0,1,0,0|2,0,0]=4 479 B11R2.106 NC1=CC=CC2=C1CCN2 K46638 [1,0,0,1,0,0|1,0,0]=3 480 B11R2.106 NC1=CC=CC2=C1CCO2 A12891 [1,0,0,1,0,0|2,0,0]=4 481 B11R2.106 O=C1C=CC=C2NCCN12 D45988 [1,0,0,1,0,0|1,0,1]=4 482 B11R2.106 OC1=C2C=CNC2=CC=C1 F2313 [1,0,0,1,0,0|0,0,2]=4 483 B11R2.106 OC1=C2C=NNC2=CC=C1 H3303 [1,0,0,1,0,0|1,0,1]=4 484 B11R2.106 OC1=C2CCCC2=CC=C1 K49868 [1,0,0,1,0,0|1,0,0]=3 485 B11R2.106 OC1=C2CCNC2=NC=C1 D62930 [1,0,0,1,0,0|1,0,0]=3 486 B11R2.106 OC1=C2CNCC2=CC=C1 K49644 [1,0,0,1,0,0|2,0,0]=4 487 B11R2.106 OC1=C2N=CNC2=CC=C1 B45210 [1,0,0,1,0,0|1,0,1]=4 488 B11R2.106 OC1=C2OCOC2=CC=C1 B24932 [1,0,0,1,0,0|2,0,0]=4 489 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [1,0,0,1,0,0|1,0,0]=3 490 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,1,0,0|1,0,1]=4 491 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [1,0,0,1,0,0|1,0,1]=4 492 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [1,0,0,1,0,0|1,0,1]=4 493 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [1,0,0,1,0,0|1,0,0]=3 494 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [1,0,0,1,0,0|1,0,0]=3 495 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [1,0,0,1,0,0|1,0,0]=3 496 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [1,0,0,1,0,0|2,0,0]=4 497 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [1,0,0,1,0,0|1,0,0]=3 498 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [1,0,0,1,0,0|2,0,0]=4 499 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [1,0,0,1,0,0|2,0,0]=4 500 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [1,0,0,1,0,0|2,0,0]=4 501 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [1,0,0,1,0,0|2,0,0]=4 502 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 A24194 [0,1,0,1,0,0|1,0,1]=4 503 B13R2.32 NC1CCC2=C(C=CC=C2)C1O A37316 [0,1,0,1,0,0|1,0,0]=3 504 B13R2.582 COC1=C2C(=CC=C1)CC[C@@H]2N M52928 [0,1,0,1,0,0|1,0,0]=3 505 B13R2.582 COC1=C2C(=CC=C1)CC[C@@H]2N M54153 [0,1,0,1,0,0|1,0,0]=3 506 B13R2.582 COC1=C2C(=O)CCC2=CC=C1 M52436 [0,1,0,1,0,0|1,0,1]=4 507 B13R2.582 COC1=C2C(=O)COC2=CC=C1 M51627 [0,1,0,1,0,0|1,0,1]=4 508 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 E54603 [0,1,0,1,0,0|1,0,1]=4 509 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 E54823 [0,1,0,1,0,0|1,0,0]=3 510 B13R2.1613 COC1=C2CCCNC2=CC=C1 M37257 [0,1,0,1,0,0|0,0,0]=2 511 B13R2.1613 COC1=CC=CC2=C1NCCO2 M50078 [0,1,0,1,0,0|1,0,0]=3 512 B13R2.2931 CN1C=C(CN)C2=C1C=CC=C2 M14457 [0,1,0,1,0,0|1,0,1]=4 513 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 T52555 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 D69503 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O A24794 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.162 O=C1NCCC2=C1C=C(Br)C=C2 B51520 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.162 O=C1NCCC2=C1C=C(Cl)C=C2 C51531 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.162 O=C1NCCC2=C1C=C(O)C=C2 H51788 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.623 COC1=C2C=CNC2=CC(Br)=C1 B23460 [0,1,0,1,0,0|0,0,2]=4 520 B13R2.623 COC1=C2C=CNC2=CC(C)=C1 M52546 [0,1,0,1,0,0|0,0,2]=4 521 B13R2.623 COC1=C2C=CNC2=CC(Cl)=C1 C17009 [0,1,0,1,0,0|0,0,2]=4 522 B13R2.623 COC1=C2C=NNC2=CC(Br)=C1 B15135 [0,1,0,1,0,0|1,0,1]=4 523 B13R2.623 COC1=C2C=NNC2=CC(I)=C1 K48382 [0,1,0,1,0,0|1,0,1]=4 524 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 B52726 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.3683 O[C@H]1CCC2=C(C=CC(Br)=C2)C1 B37785 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.1 NCCC1=COC2=C1C=CC=C2 B69209 [0,1,0,1,0,0|0,0,1]=3 527 B13R2.1 NCCN1N=NC2=C1C=CC=C2 B49506 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 D54551 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M65198 [0,1,0,1,0,0|1,0,0]=3 530 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M67244 [0,1,0,1,0,0|1,0,0]=3 531 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54146 [0,1,0,1,0,0|1,0,0]=3 532 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54148 [0,1,0,1,0,0|1,0,0]=3 533 B13R2.57 O=C[C@@H]1COC2=C(C=CC=C2)O1 D36985 [0,1,0,1,0,0|1,0,1]=4 534 B13R2.57 OC[C@H]1CCC2=C(C=CC=C2)N1 T36847 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 H53029 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.573 COC1=C2CC[C@H](N)C2=CC=C1 M54152 [0,1,0,1,0,0|0,0,0]=2 537 B13R2.573 COC1=CC=CC2=C1CCC2=O M52435 [0,1,0,1,0,0|1,0,0]=3 538 B13R2.573 COC1=CC=CC2=C1CNC2=O M51775 [0,1,0,1,0,0|1,0,1]=4 539 B13R2.573 N#CC1=C2CC[C@@H](N)C2=CC=C1 A54087 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.573 N#CC1=C2CC[C@H](N)C2=CC=C1 A32296 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.292 CNCC1=C2OCOC2=CC=C1 B50080 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52728 [0,1,0,1,0,0|1,0,0]=3 543 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52740 [0,1,0,1,0,0|1,0,0]=3 544 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 F52752 [0,1,0,1,0,0|1,0,0]=3 545 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 C38409 [0,1,0,1,0,0|1,0,1]=4 546 B13R2.611 COC1=C2C=CNC2=C(Br)C=C1 B25504 [0,1,0,1,0,0|0,0,2]=4 547 B13R2.611 COC1=C2C=NNC2=C(Br)C=C1 B63899 [0,1,0,1,0,0|1,0,1]=4 548 B13R2.2136 NC[C@H]1CCC2=C1C=C(Cl)C=C2 C37645 [0,1,0,1,0,0|1,0,0]=3 549 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 M37521 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 I13836 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 C11175 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 F51539 [0,1,0,1,0,0|2,0,0]=4 553 B13R2.5569 CC(=O)C1=C2CCCC2=CC=C1 D61778 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.5569 O=[N+]([O-])C1=C2CCNC2=CC=C1 N48821 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.121 COC1=C(Br)C=CC2=C1C=NN2 B63994 [0,1,0,1,0,0|1,0,1]=4 556 B13R2.4818 CC1=CC=CC2=C1C(=O)NCC2 M52554 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 T13686 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.342 CC1=CC=CC2=C1CCNC2=O M69560 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.342 O=C1NCCC2=C(Br)C=CC=C12 B51519 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.342 O=C1NCCC2=C(F)C=CC=C12 F51538 [0,1,0,1,0,0|2,0,0]=4 561 B13R3.2262 C1=CC2=C(C=C1)C3(CC3)CN2 D27901 [0,0,0,2,0,0|2,0,0]=4 562 B9R1.33 CC1=C(CCN)SC=N1 M3229 [1,0,0,0,1,0|2,0,0]=4 563 B9R1.33 CC1=NC=CN1CCN M43556 [1,0,0,0,1,0|2,0,0]=4 564 B9R1.14 COC1=CSC=C1OC D38623 [1,0,0,0,1,0|2,0,0]=4