0 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.24 CC1=CC=CC(CN=[N+]=[N-])=C1 M9126 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [0,0,0,0,0,0|2,1,0]=3 4 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [0,0,0,0,0,0|2,1,0]=3 5 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.24 COCOC1=CC=CC(F)=C1 F49397 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.24 FCCOC1=CC=CC(F)=C1 D49152 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [0,0,0,0,0,0|2,1,0]=3 10 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [0,0,0,0,0,0|2,1,0]=3 11 B11R1.24 [N-]=[N+]=NCC1=CC=CC(F)=C1 A9128 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,0,0,0,0,0|1,1,0]=3 13 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.10 CCNC1=NC=CC(N)=C1 A43751 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [1,0,0,0,0,0|2,1,0]=4 17 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [1,0,0,0,0,0|2,1,0]=4 18 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [1,0,0,0,0,0|2,1,0]=4 19 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [1,0,0,0,0,0|1,1,0]=3 23 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [1,0,0,0,0,0|2,1,0]=4 27 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [1,0,0,0,0,0|1,1,0]=3 29 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [1,0,0,0,0,0|1,1,0]=3 30 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,0,0,0,0,0|0,1,0]=2 33 B10R1.10 CNCC1=NC=CC(Cl)=C1 C46305 [1,0,0,0,0,0|1,1,0]=3 34 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,0,0,0,0,0|1,1,0]=3 35 B10R1.10 N#CCC1=CC(F)=CN=C1 F12036 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [1,0,0,0,0,0|0,1,2]=4 38 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [1,0,0,0,0,0|0,1,2]=4 39 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [1,0,0,0,0,0|0,0,2]=3 40 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.10 N#CCC1=NC=CC(F)=C1 F44801 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,0,0,0,0,0|0,1,0]=2 44 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,0,0,0,0,0|0,1,0]=2 45 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,0,0,0,0,0|0,1,0]=2 46 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,0,0,0,0,0|0,0,0]=1 47 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,0,0,0,0,0|0,0,0]=1 48 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [1,0,0,0,0,0|2,1,0]=4 50 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [1,0,0,0,0,0|1,1,0]=3 51 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [1,0,0,0,0,0|1,1,0]=3 52 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [1,0,0,0,0,0|1,1,0]=3 53 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,0,0,0,0,0|1,1,0]=3 56 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [1,0,0,0,0,0|2,1,0]=4 57 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,0,0,0,0,0|1,1,0]=3 58 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.17 CNCCC1=CC=CN=C1 M46974 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.17 NCCCC1=CC=NC=C1 P46966 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [1,0,0,0,0,0|2,0,1]=4 82 B12R1.17 C=CC[C@H](N)C1=CC=CC(Cl)=C1 C62600 [0,1,0,0,0,0|1,1,1]=4 83 B12R1.25 COCCN1C=CC=C(N)C1=O A37203 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.28 CCCCOC1=NC=CC(N)=C1 B50398 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.28 COCCOC1=NC=CC(Br)=C1 B46775 [0,1,0,0,0,0|2,1,0]=4 86 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [0,1,0,0,0,0|1,1,1]=4 91 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [0,1,0,0,0,0|1,1,1]=4 92 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 A50259 [0,1,0,0,0,0|2,1,0]=4 94 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,1,0,0,0,0|2,1,0]=4 97 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,1,0,0,0,0|2,1,0]=4 98 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.374 C#CCOC1=C(F)C=CC(F)=C1 D51032 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.374 CCNCC1=C(O)C=CC(Br)=C1 B50254 [0,1,0,0,0,0|2,1,0]=4 102 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 C50261 [0,1,0,0,0,0|2,1,0]=4 103 B12R1.382 CCNCC1=CC=CC(OC)=C1 M53138 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [0,0,0,1,0,0|1,1,0]=3 105 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B61360 [0,0,0,1,0,0|2,1,0]=4 106 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B8109 [0,0,0,1,0,0|2,1,0]=4 107 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [0,0,0,1,0,0|2,1,0]=4 108 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B11621 [0,0,0,1,0,0|2,1,0]=4 109 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B5487 [0,0,0,1,0,0|2,1,0]=4 110 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 B52019 [0,0,0,1,0,0|2,1,0]=4 111 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B14752 [0,0,0,1,0,0|0,1,0]=2 112 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B15726 [0,0,0,1,0,0|0,1,0]=2 113 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 B14749 [0,0,0,1,0,0|2,1,0]=4 114 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [0,0,0,1,0,0|2,1,0]=4 115 B12R2.24 BrC1=CN=C2CCCCC2=C1 B63820 [0,0,0,1,0,0|2,1,0]=4 116 B12R2.24 BrC1=CN=C2CNCCC2=C1 B14777 [0,0,0,1,0,0|1,1,0]=3 117 B12R2.24 BrC1=CN=C2CNCCC2=C1 B31695 [0,0,0,1,0,0|1,1,0]=3 118 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C32116 [0,0,0,1,0,0|2,1,0]=4 122 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C49776 [0,0,0,1,0,0|2,1,0]=4 123 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49772 [0,0,0,1,0,0|2,1,0]=4 124 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49779 [0,0,0,1,0,0|2,1,0]=4 125 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 C67678 [0,0,0,1,0,0|0,1,0]=2 126 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 C23914 [0,0,0,1,0,0|2,1,0]=4 127 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 C36781 [0,0,0,1,0,0|2,1,0]=4 128 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C4158 [0,0,0,1,0,0|1,1,0]=3 129 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C49172 [0,0,0,1,0,0|1,1,0]=3 130 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 C18597 [0,0,0,1,0,0|2,1,0]=4 131 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 C5775 [0,0,0,1,0,0|2,1,0]=4 132 B12R2.24 FC1=CC2=C(C=C1)CNCC2 F60960 [0,0,0,1,0,0|0,0,0]=1 133 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F38792 [0,0,0,1,0,0|2,0,0]=3 134 B12R2.24 FC1=CC2=C(C=C1)OCCN2 F49619 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T63563 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T67419 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T52130 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 NC1=NC2=C(C=N1)CNCC2 T46596 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 O=C1C=CC2=C(CCNC2)N1 T39057 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.24 OC1=CC2=C(C=C1)CCCN2 H50029 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T38163 [0,0,0,1,0,0|1,0,0]=2 143 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T67068 [0,0,0,1,0,0|1,0,0]=2 144 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.24 OC1=CN=C2CCCCC2=C1 T38906 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.24 OC1=NC2=C(C=N1)CNCC2 T38314 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 M52416 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.203 CC1=CC=CC2=C1N(C)N=C2 D49706 [0,0,0,1,0,0|2,0,1]=4 149 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 B48318 [0,0,0,1,0,0|1,1,1]=4 150 B12R2.203 CN1N=CC2=C1C(N)=CC=C2 A2914 [0,0,0,1,0,0|2,0,1]=4 151 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 B2922 [0,0,0,1,0,0|1,1,1]=4 152 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49763 [0,0,0,1,0,0|2,1,0]=4 153 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49766 [0,0,0,1,0,0|2,1,0]=4 154 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 F52072 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 B64882 [0,0,0,1,0,0|2,1,0]=4 156 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 C51316 [0,0,0,1,0,0|2,1,0]=4 157 B12R2.203 O=C1CCC2=CC=CC(F)=C12 F51324 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.203 O=C1CCC2=CC=CC(O)=C12 H51557 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.203 O=C1COC2=CC=CC(F)=C12 F63171 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.203 O[C@H]1CCC2=CC=CC(Br)=C21 B63750 [0,0,0,1,0,0|2,1,0]=4 161 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 B51447 [0,0,0,1,0,0|0,1,2]=4 164 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 M16073 [0,0,0,1,0,0|1,0,2]=4 165 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 M37572 [0,0,0,1,0,0|1,0,2]=4 166 B12R2.612 CN1C=CC2=C1C=CC([Mg+])=C2 M8400 [0,0,0,1,0,0|1,0,2]=4 167 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 B48313 [0,0,0,1,0,0|1,1,1]=4 168 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 M49200 [0,0,0,1,0,0|2,0,1]=4 169 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 M38761 [0,0,0,1,0,0|2,0,1]=4 170 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 B2917 [0,0,0,1,0,0|1,1,1]=4 171 B12R2.612 CN1N=CC2=C1C=CC(I)=C2 K9720 [0,0,0,1,0,0|1,1,1]=4 172 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 A2912 [0,0,0,1,0,0|2,0,1]=4 173 B12R2.612 CN1N=CC2=C1C=CC(O)=C2 M25239 [0,0,0,1,0,0|2,0,1]=4 174 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 B45283 [0,0,0,1,0,0|2,1,0]=4 175 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [0,0,0,1,0,0|3,0,0]=4 176 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 B38120 [0,0,0,1,0,0|2,1,0]=4 177 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 C49774 [0,0,0,1,0,0|2,1,0]=4 178 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 F52068 [0,0,0,1,0,0|2,0,0]=3 179 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B36894 [0,0,0,1,0,0|2,1,0]=4 180 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63483 [0,0,0,1,0,0|2,1,0]=4 181 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63647 [0,0,0,1,0,0|2,1,0]=4 182 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63729 [0,0,0,1,0,0|2,1,0]=4 183 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49775 [0,0,0,1,0,0|2,1,0]=4 184 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49782 [0,0,0,1,0,0|2,1,0]=4 185 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C69644 [0,0,0,1,0,0|2,1,0]=4 186 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F52071 [0,0,0,1,0,0|2,0,0]=3 187 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 F49618 [0,0,0,1,0,0|3,0,0]=4 188 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [0,0,0,1,0,0|2,1,0]=4 189 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [0,0,0,1,0,0|2,1,0]=4 190 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [0,0,0,1,0,0|2,0,0]=3 191 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [0,0,0,1,0,0|2,1,0]=4 192 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [0,0,0,1,0,0|3,0,0]=4 193 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 F48097 [0,0,0,1,0,0|3,0,0]=4 194 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 F47783 [0,0,0,1,0,0|3,0,0]=4 195 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 B52029 [0,0,0,1,0,0|2,1,0]=4 196 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 C52041 [0,0,0,1,0,0|2,1,0]=4 197 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 F52046 [0,0,0,1,0,0|2,0,0]=3 198 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [0,0,0,1,0,0|1,1,0]=3 199 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B14750 [0,0,0,1,0,0|2,1,0]=4 200 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B49764 [0,0,0,1,0,0|2,1,0]=4 201 B12R2.1081 BrC1=C2CCCOC2=CC=C1 B52015 [0,0,0,1,0,0|2,1,0]=4 202 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B14751 [0,0,0,1,0,0|2,1,0]=4 203 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B26536 [0,0,0,1,0,0|2,1,0]=4 204 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B14753 [0,0,0,1,0,0|0,1,0]=2 205 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B49767 [0,0,0,1,0,0|0,1,0]=2 206 B12R2.1081 BrC1=C2CNCCC2=CN=C1 B59994 [0,0,0,1,0,0|1,1,0]=3 207 B12R2.1081 BrC1=C2NCCCC2=CC=C1 B49762 [0,0,0,1,0,0|2,1,0]=4 208 B12R2.1081 BrC1=C2OCCCC2=CC=C1 B63715 [0,0,0,1,0,0|2,1,0]=4 209 B12R2.1081 BrC1=NC=CC2=C1CCCC2 B23969 [0,0,0,1,0,0|2,1,0]=4 210 B12R2.1081 CC1=CC=CC2=C1CCCN2 M54142 [0,0,0,1,0,0|3,0,0]=4 211 B12R2.1081 CC1=CC=CC2=C1NCCC2 M52879 [0,0,0,1,0,0|3,0,0]=4 212 B12R2.1081 ClC1=C2CCCCC2=NC=C1 C49771 [0,0,0,1,0,0|2,1,0]=4 213 B12R2.1081 ClC1=C2CCCNC2=CC=C1 C36903 [0,0,0,1,0,0|2,1,0]=4 214 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49773 [0,0,0,1,0,0|0,1,0]=2 215 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49780 [0,0,0,1,0,0|0,1,0]=2 216 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [0,0,0,1,0,0|2,1,0]=4 217 B12R2.1081 FC1=C2CCCNC2=CC=C1 F5341 [0,0,0,1,0,0|2,0,0]=3 218 B12R2.1081 FC1=C2OCCNC2=CC=C1 F49054 [0,0,0,1,0,0|3,0,0]=4 219 B12R2.1081 NC1=CC=CC2=C1CCNC2 T50168 [0,0,0,1,0,0|3,0,0]=4 220 B12R2.1081 NC1=CC=CC2=C1CCNC2 T52129 [0,0,0,1,0,0|3,0,0]=4 221 B12R2.1081 OC1=C2CCCCC2=NC=C1 T63204 [0,0,0,1,0,0|3,0,0]=4 222 B12R2.1081 OC1=C2NCCCC2=CC=C1 H67535 [0,0,0,1,0,0|3,0,0]=4 223 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 C62726 [0,0,0,1,0,0|2,0,0]=3 224 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 B8384 [0,0,0,1,0,0|1,1,0]=3 225 B10R1.29 CCCCC1=C(Br)SC=C1 B46858 [0,0,0,0,1,0|2,1,0]=4 226 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [2,0,0,0,0,0|1,1,0]=4 227 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [2,0,0,0,0,0|1,1,0]=4 228 B9R1.2 C#CC1=CC=CC(F)=C1 F47538 [2,0,0,0,0,0|0,0,2]=4 229 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [2,0,0,0,0,0|1,1,0]=4 237 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [2,0,0,0,0,0|0,1,0]=3 239 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [2,0,0,0,0,0|1,1,0]=4 240 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [2,0,0,0,0,0|1,0,0]=3 241 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [2,0,0,0,0,0|1,1,0]=4 245 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.2 CNC1=CC(Br)=NC=C1 B25633 [2,0,0,0,0,0|1,1,0]=4 247 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [2,0,0,0,0,0|1,0,0]=3 248 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [2,0,0,0,0,0|0,1,0]=3 249 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [2,0,0,0,0,0|0,1,0]=3 250 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [2,0,0,0,0,0|1,1,0]=4 251 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [2,0,0,0,0,0|1,1,0]=4 253 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.2 COC1=CC(F)=NC=C1 F21874 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.2 COC1=CC(O)=CC=C1 M27960 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.2 COC1=CC=CC(F)=C1 F45965 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.2 COC1=CC=CC(F)=N1 F67375 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.2 COC1=CC=CC(I)=C1 K45966 [2,0,0,0,0,0|1,1,0]=4 259 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.2 COC1=NC=CC(F)=C1 F42927 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [2,0,0,0,0,0|1,1,0]=4 263 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [2,0,0,0,0,0|1,1,0]=4 264 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [2,0,0,0,0,0|1,1,0]=4 265 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [2,0,0,0,0,0|1,1,0]=4 266 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.2 N#CC1=CC=CC(F)=C1 F39329 [2,0,0,0,0,0|0,0,2]=4 272 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.2 NCC1=CC(Br)=NC=C1 B25759 [2,0,0,0,0,0|1,1,0]=4 275 B9R1.2 NCC1=CC(Cl)=NC=C1 A10467 [2,0,0,0,0,0|1,1,0]=4 276 B9R1.2 NCC1=CC(Cl)=NC=C1 C30000 [2,0,0,0,0,0|1,1,0]=4 277 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [2,0,0,0,0,0|1,0,0]=3 278 B9R1.2 NCC1=CC(F)=NC=C1 F43572 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.2 NCC1=CC(F)=NC=C1 F61414 [2,0,0,0,0,0|1,0,0]=3 280 B9R1.2 NCC1=CC(N)=NC=C1 A43343 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [2,0,0,0,0,0|0,1,0]=3 282 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [2,0,0,0,0,0|1,1,0]=4 283 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [2,0,0,0,0,0|0,1,0]=3 284 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [2,0,0,0,0,0|1,1,0]=4 285 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [2,0,0,0,0,0|0,0,0]=2 286 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [2,0,0,0,0,0|0,1,0]=3 287 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [2,0,0,0,0,0|1,1,0]=4 289 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [2,0,0,0,0,0|1,1,0]=4 290 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [2,0,0,0,0,0|1,1,0]=4 291 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.2 NNC1=CC=CC(Br)=C1 B42979 [2,0,0,0,0,0|1,1,0]=4 293 B9R1.2 NNC1=CC=CC(F)=C1 F43527 [2,0,0,0,0,0|1,0,0]=3 294 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [2,0,0,0,0,0|1,0,1]=4 295 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [2,0,0,0,0,0|1,1,0]=4 298 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [2,0,0,0,0,0|1,1,0]=4 301 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.8 BrCCC1=CC=NC=C1 B46088 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.8 CC#CC1=CC=CC=C1 P68608 [2,0,0,0,0,0|0,0,2]=4 304 B9R1.8 CCCC1=NC=CC=C1 P46859 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.8 CCCC1=NC=CN=C1 P43598 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.8 CCOC1=NC=CC=C1 E46369 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.8 CNCC1=CC=NC=C1 M43623 [2,0,0,0,0,0|1,0,0]=3 308 B9R1.8 CNCC1=CN=CN=C1 N11436 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.8 CNCC1=CN=NC=C1 M12238 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.8 CNCC1=CN=NC=C1 M27035 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.8 CNCC1=NC=CC=N1 M14362 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.8 CNCC1=NC=CC=N1 M31227 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.8 CNCC1=NC=CN=C1 M14584 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.8 CNNC1=CC=CC=C1 M46459 [2,0,0,0,0,0|1,0,0]=3 315 B9R1.8 COCC1=NC=CC=C1 M46377 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [2,0,0,0,0,0|0,0,2]=4 317 B9R1.8 NCCC1=CC=CN=C1 P43605 [2,0,0,0,0,0|1,0,0]=3 318 B9R1.8 NCCC1=NC=CC=C1 P67673 [2,0,0,0,0,0|1,0,0]=3 319 B9R1.8 NCCC1=NC=NC=C1 P14666 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.8 NCCC1=NC=NC=C1 P29961 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.8 NNCC1=CC=CC=C1 B6123 [2,0,0,0,0,0|1,0,0]=3 322 B9R1.8 NNCC1=CC=CC=C1 B68081 [2,0,0,0,0,0|1,0,0]=3 323 B9R1.8 NNCC1=CC=CN=C1 H0097 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.8 NNCC1=CC=CN=C1 H36962 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.8 NNCC1=CC=NC=C1 H0096 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.8 NNCC1=CC=NC=C1 H26285 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.8 NNCC1=NC=CC=C1 H0098 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.8 NOCC1=CC=CC=C1 B68114 [2,0,0,0,0,0|1,0,0]=3 329 B9R1.8 OCCC1=CC=NC=C1 H46381 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.8 OCCC1=CN=CC=C1 P46376 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.8 ONCC1=CC=CC=C1 B36744 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.8 ONCC1=CC=CC=C1 B46575 [2,0,0,0,0,0|1,0,0]=3 333 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [2,0,0,0,0,0|0,0,2]=4 334 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [2,0,0,0,0,0|1,0,0]=3 335 B11R1.13 CC1=C(F)C=CC=C1CC#N F51462 [1,1,0,0,0,0|0,0,2]=4 336 B11R1.13 N#CCC1=CC=CC(F)=C1F D47707 [1,1,0,0,0,0|0,0,2]=4 337 B11R1.13 OCCC1=CC=CC(Cl)=C1Cl D49145 [1,1,0,0,0,0|1,1,0]=4 338 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 A50349 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A50350 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A52173 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 H49893 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F38669 [1,1,0,0,0,0|0,0,1]=3 343 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [1,1,0,0,0,0|0,0,0]=2 345 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [1,1,0,0,0,0|0,1,0]=3 346 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [1,1,0,0,0,0|0,0,0]=2 347 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 B69408 [1,1,0,0,0,0|0,1,1]=4 348 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [1,1,0,0,0,0|0,1,0]=3 349 B11R1.23 COC(=O)C1=CC=CC(F)=C1 M39493 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 A46787 [1,1,0,0,0,0|1,1,0]=4 351 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46801 [1,1,0,0,0,0|1,1,0]=4 352 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46803 [1,1,0,0,0,0|1,1,0]=4 353 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A64410 [1,1,0,0,0,0|1,1,0]=4 354 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A66336 [1,1,0,0,0,0|1,1,0]=4 355 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 A49514 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 A46570 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 A49526 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 A46799 [1,1,0,0,0,0|1,1,0]=4 359 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46804 [1,1,0,0,0,0|1,1,0]=4 360 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46810 [1,1,0,0,0,0|1,1,0]=4 361 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A46820 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A49516 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.23 N[C@H](CO)C1=CC=CC(I)=C1 A11985 [1,1,0,0,0,0|1,1,0]=4 364 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 B48255 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 C49388 [1,1,0,0,0,0|1,1,0]=4 366 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C36827 [1,1,0,0,0,0|1,1,0]=4 367 B11R1.34 C=CCC1=CC(Br)=CC(F)=C1 A51332 [1,1,0,0,0,0|0,0,2]=4 368 B11R1.34 CC1=CC(F)=CC(CC#N)=C1 F51463 [1,1,0,0,0,0|0,0,2]=4 369 B11R1.34 CCOC1=CC(Br)=CC(F)=C1 B49135 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 D64876 [1,1,0,0,0,0|0,1,0]=3 371 B11R1.34 FC1=CC(F)=CC(CCBr)=C1 B63546 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.34 N#CCC1=CC(Cl)=CC(F)=C1 C47697 [1,1,0,0,0,0|0,0,2]=4 373 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 D47710 [1,1,0,0,0,0|0,0,2]=4 374 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [1,1,0,0,0,0|0,1,1]=4 375 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [1,1,0,0,0,0|0,1,1]=4 376 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [1,1,0,0,0,0|0,0,1]=3 377 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [1,1,0,0,0,0|0,1,0]=3 380 B11R1.157 CC(C)OC1=CC(O)=CC=C1 M61115 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 B66115 [1,1,0,0,0,0|1,1,0]=4 382 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 B50233 [1,1,0,0,0,0|0,1,0]=3 383 B11R1.157 CN(C)CC1=CC=CC(O)=C1 D50353 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [1,1,0,0,0,0|0,1,1]=4 386 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 F51464 [1,1,0,0,0,0|0,0,2]=4 388 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [1,1,0,0,0,0|1,1,0]=4 389 B11R1.182 COCC1=C(F)C=CC(Br)=C1 B39083 [1,1,0,0,0,0|1,1,0]=4 390 B11R1.182 N#CCC1=C(Br)C=CC(F)=C1 B47684 [1,1,0,0,0,0|0,0,2]=4 391 B11R1.182 N#CCC1=C(Cl)C=CC(F)=C1 C47691 [1,1,0,0,0,0|0,0,2]=4 392 B11R1.182 NC1=CC(CCO)=C(N)C=C1 D47001 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 D49228 [1,1,0,0,0,0|0,1,0]=3 394 B11R1.182 OCCC1=C(Cl)C=CC(Cl)=C1 D49148 [1,1,0,0,0,0|1,1,0]=4 395 B11R1.182 OCCC1=C(F)C=CC(F)=C1 D49156 [1,1,0,0,0,0|1,0,0]=3 396 B11R1.189 CNCC1=CC=CC(C#N)=C1 M49715 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.189 CNCC1=CC=CC(OC)=C1 M50357 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.189 COC1=CC(CCN)=CC=C1 M52171 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.189 COC1=CC(CCN)=CC=C1 M67069 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.189 COC1=CC(CCO)=CC=C1 M50285 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.189 COC1=CC(CNN)=CC=C1 M0100 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.189 N#CC1=CC=CC(CCO)=C1 H38259 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.189 NCC1=CC=CC(CCO)=C1 A32377 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 B49701 [1,1,0,0,0,0|0,0,0]=2 405 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 B50152 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 B49136 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 D67460 [1,1,0,0,0,0|0,1,0]=3 409 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [1,1,0,0,0,0|1,0,0]=3 410 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 B48302 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 B47671 [1,1,0,0,0,0|0,0,2]=4 412 B11R1.192 N#CCC1=CC(F)=C(Cl)C=C1 C47698 [1,1,0,0,0,0|0,0,2]=4 413 B11R1.192 N#CCC1=CC(F)=C(F)C=C1 D47709 [1,1,0,0,0,0|0,0,2]=4 414 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 D49146 [1,1,0,0,0,0|1,1,0]=4 415 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 C49151 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,1,0,0,0,0|2,0,0]=4 479 B13R1.18 COCCN(C)C1=CC(N)=CC=C1 M53183 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 A49835 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(F)=C1 A49840 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.16 CCCCOC1=CC=CC(F)=C1F B52866 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M52841 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 M38076 [0,2,0,0,0,0|1,1,0]=4 485 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 E52642 [0,2,0,0,0,0|1,0,1]=4 486 B13R1.55 CCCCCC1=CC(F)=CC(F)=C1 D54693 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.55 CCCCCC1=CC(O)=CC(O)=C1 P38535 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.149 CN(C)CCOC1=CC=CC(Br)=C1 B53081 [0,2,0,0,0,0|0,1,0]=3 489 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 F51992 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.656 COCCOC1=C(C)C=CC(N)=C1 M53150 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.666 CCCCOC1=CC(OC)=CC=C1 B4970 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O F49826 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O A60702 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 D51615 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 B32283 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.81 CNCC1=C(F)C=C(F)C=C1 D49253 [0,0,1,1,0,0|1,0,1]=4 497 B11R1.29 CNCCC(=O)C1=CC=CS1 M49532 [0,0,1,1,0,0|2,0,0]=4 498 B11R2.35 BrC1=CC(C2CC2)=CC=C1 B67707 [1,0,0,1,0,0|0,1,0]=3 499 B11R2.35 BrC1=CC(C2CC2)=NC=C1 B37241 [1,0,0,1,0,0|1,1,0]=4 500 B11R2.35 BrC1=CN=CC(C2CC2)=C1 B37616 [1,0,0,1,0,0|1,1,0]=4 501 B11R2.35 ClC1=NC=CC(C2CC2)=C1 C21734 [1,0,0,1,0,0|1,1,0]=4 502 B11R2.35 NC1=CC(C2CC2)=CC=C1 C49975 [1,0,0,1,0,0|1,0,0]=3 503 B11R2.35 NC1=CC(C2CC2)=CN=C1 C46641 [1,0,0,1,0,0|2,0,0]=4 504 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48873 [1,0,0,1,0,0|1,1,0]=4 505 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48878 [1,0,0,1,0,0|1,1,0]=4 506 B11R2.36 BrC1=CC2=C(C=C1)CCO2 B48719 [1,0,0,1,0,0|1,1,0]=4 507 B11R2.36 BrC1=CC2=C(C=C1)CNC2 B0713 [1,0,0,1,0,0|0,1,0]=3 508 B11R2.36 BrC1=CC2=C(C=C1)NCC2 B22435 [1,0,0,1,0,0|0,1,0]=3 509 B11R2.36 BrC1=CC2=C(C=C1)OCC2 B24807 [1,0,0,1,0,0|1,1,0]=4 510 B11R2.36 BrC1=CN=C2CNCC2=C1 B11679 [1,0,0,1,0,0|1,1,0]=4 511 B11R2.36 BrC1=CN=C2CNCC2=C1 B11680 [1,0,0,1,0,0|1,1,0]=4 512 B11R2.36 BrC1=CN=C2NCCC2=C1 B12242 [1,0,0,1,0,0|1,1,0]=4 513 B11R2.36 BrC1=CN=C2NCCC2=C1 B30154 [1,0,0,1,0,0|1,1,0]=4 514 B11R2.36 BrC1=NC2=C(C=C1)NCC2 B45617 [1,0,0,1,0,0|1,1,0]=4 515 B11R2.36 CC1=CC2=C(C=C1)NCC2 M49974 [1,0,0,1,0,0|1,0,0]=3 516 B11R2.36 ClC1=CC2=C(C=C1)CCN2 C48881 [1,0,0,1,0,0|1,1,0]=4 517 B11R2.36 ClC1=CC2=C(C=C1)CNC2 C48884 [1,0,0,1,0,0|0,1,0]=3 518 B11R2.36 ClC1=CC2=C(C=C1)OCC2 C48731 [1,0,0,1,0,0|1,1,0]=4 519 B11R2.36 ClC1=CN=C2NCCC2=C1 C45621 [1,0,0,1,0,0|1,1,0]=4 520 B11R2.36 ClC1=NC2=C(C=C1)CCC2 C48882 [1,0,0,1,0,0|1,1,0]=4 521 B11R2.36 ClC1=NC2=C(C=C1)CNC2 C25491 [1,0,0,1,0,0|1,1,0]=4 522 B11R2.36 FC1=CC2=C(C=C1)CC=C2 F51044 [1,0,0,1,0,0|0,0,2]=4 523 B11R2.36 FC1=CC2=C(C=C1)CCC2 F51669 [1,0,0,1,0,0|0,0,0]=2 524 B11R2.36 FC1=CC2=C(C=C1)CNC2 F24902 [1,0,0,1,0,0|0,0,0]=2 525 B11R2.36 FC1=CC2=C(C=C1)NC=C2 F31500 [1,0,0,1,0,0|0,0,2]=4 526 B11R2.36 FC1=CC2=C(C=C1)NC=N2 F44797 [1,0,0,1,0,0|1,0,1]=4 527 B11R2.36 FC1=CC2=C(C=C1)NN=C2 F3439 [1,0,0,1,0,0|1,0,1]=4 528 B11R2.36 FC1=CC2=C(C=C1)OCC2 F62598 [1,0,0,1,0,0|1,0,0]=3 529 B11R2.36 FC1=CC2=CNN=C2C=C1 F44791 [1,0,0,1,0,0|1,0,1]=4 530 B11R2.36 FC1=CN=C2CNCC2=C1 F18831 [1,0,0,1,0,0|1,0,0]=3 531 B11R2.36 IC1=CC2=C(C=C1)CCC2 K64448 [1,0,0,1,0,0|0,1,0]=3 532 B11R2.36 IC1=CC2=C(C=C1)OCC2 I2714 [1,0,0,1,0,0|1,1,0]=4 533 B11R2.36 NC1=CC2=C(C=C1)COC2 D49267 [1,0,0,1,0,0|2,0,0]=4 534 B11R2.36 NC1=CC2=C(C=C1)OCC2 D49263 [1,0,0,1,0,0|2,0,0]=4 535 B11R2.36 OC1=CC2=C(C=C1)CCN2 K49255 [1,0,0,1,0,0|2,0,0]=4 536 B11R2.36 OC1=CC2=C(C=C1)CCO2 D49068 [1,0,0,1,0,0|2,0,0]=4 537 B11R2.36 OC1=CC2=C(C=C1)CNC2 D29486 [1,0,0,1,0,0|1,0,0]=3 538 B11R2.36 OC1=CC2=C(C=C1)NCC2 K49254 [1,0,0,1,0,0|1,0,0]=3 539 B11R2.36 OC1=CC2=C(C=C1)OCC2 D49067 [1,0,0,1,0,0|2,0,0]=4 540 B11R2.106 BrC1=C2CCCC2=CC=C1 B10979 [1,0,0,1,0,0|0,1,0]=3 541 B11R2.106 BrC1=C2CCNC2=CC=C1 B48872 [1,0,0,1,0,0|1,1,0]=4 542 B11R2.106 BrC1=C2CNCC2=CC=C1 B5333 [1,0,0,1,0,0|0,1,0]=3 543 B11R2.106 BrC1=C2COCC2=CC=C1 B19438 [1,0,0,1,0,0|1,1,0]=4 544 B11R2.106 BrC1=C2NCCC2=CN=C1 B8070 [1,0,0,1,0,0|1,1,0]=4 545 B11R2.106 BrC1=C2OCCC2=CC=C1 B22264 [1,0,0,1,0,0|1,1,0]=4 546 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [1,0,0,1,0,0|1,0,0]=3 547 B11R2.106 ClC1=C2CCCC2=NC=C1 C48883 [1,0,0,1,0,0|1,1,0]=4 548 B11R2.106 ClC1=C2CCNC2=CC=C1 C48879 [1,0,0,1,0,0|1,1,0]=4 549 B11R2.106 ClC1=C2CNCC2=CC=C1 C36885 [1,0,0,1,0,0|0,1,0]=3 550 B11R2.106 FC1=C2CCOC2=NC=C1 F30045 [1,0,0,1,0,0|2,0,0]=4 551 B11R2.106 FC1=C2CNCC2=CC=C1 F37051 [1,0,0,1,0,0|0,0,0]=2 552 B11R2.106 FC1=C2NC=CC2=CC=C1 F8169 [1,0,0,1,0,0|0,0,2]=4 553 B11R2.106 FC1=C2NCCC2=CC=C1 F49614 [1,0,0,1,0,0|0,0,0]=2 554 B11R2.106 FC1=C2NN=CC2=CC=C1 F6132 [1,0,0,1,0,0|1,0,1]=4 555 B11R2.106 IC1=C2CCCC2=CC=C1 K51671 [1,0,0,1,0,0|0,1,0]=3 556 B11R2.106 NC1=C2OCCC2=CC=C1 A64522 [1,0,0,1,0,0|2,0,0]=4 557 B11R2.106 NC1=CC=CC2=C1CCN2 K46638 [1,0,0,1,0,0|2,0,0]=4 558 B11R2.106 NC1=CC=CC2=C1CCO2 A12891 [1,0,0,1,0,0|2,0,0]=4 559 B11R2.106 NC1=CC=CC2=C1CNC2 K49654 [1,0,0,1,0,0|1,0,0]=3 560 B11R2.106 OC1=C2CCCC2=CC=C1 K49868 [1,0,0,1,0,0|1,0,0]=3 561 B11R2.106 OC1=C2CNCC2=CC=C1 K49644 [1,0,0,1,0,0|1,0,0]=3 562 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,1,0,0|1,0,1]=4 563 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [1,0,0,1,0,0|0,0,2]=4 564 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [1,0,0,1,0,0|1,0,1]=4 565 B11R2.1 CN1N=CC2=C1C=CC=C2 M14463 [1,0,0,1,0,0|1,0,1]=4 566 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [1,0,0,1,0,0|2,0,0]=4 567 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [1,0,0,1,0,0|2,0,0]=4 568 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [1,0,0,1,0,0|2,0,0]=4 569 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [1,0,0,1,0,0|2,0,0]=4 570 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [1,0,0,1,0,0|2,0,0]=4 571 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [1,0,0,1,0,0|2,0,0]=4 572 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [1,0,0,1,0,0|2,0,0]=4 573 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [1,0,0,1,0,0|2,0,0]=4 574 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [1,0,0,1,0,0|1,0,0]=3 575 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [1,0,0,1,0,0|2,0,0]=4 576 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [1,0,0,1,0,0|2,0,0]=4 577 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [1,0,0,1,0,0|2,0,0]=4 578 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [1,0,0,1,0,0|1,0,0]=3 579 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [1,0,0,1,0,0|1,0,0]=3 580 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [1,0,0,1,0,0|1,0,0]=3 581 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [1,0,0,1,0,0|1,0,0]=3 582 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [1,0,0,1,0,0|2,0,0]=4 583 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [1,0,0,1,0,0|1,0,0]=3 584 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [1,0,0,1,0,0|1,0,0]=3 585 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [1,0,0,1,0,0|1,0,0]=3 586 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [1,0,0,1,0,0|1,0,0]=3 587 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [1,0,0,1,0,0|1,0,0]=3 588 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [1,0,0,1,0,0|1,0,0]=3 589 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [1,0,0,1,0,0|2,0,0]=4 590 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [1,0,0,1,0,0|2,0,0]=4 591 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [1,0,0,1,0,0|2,0,0]=4 592 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [1,0,0,1,0,0|2,0,0]=4 593 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [1,0,0,1,0,0|2,0,0]=4 594 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [1,0,0,1,0,0|1,0,0]=3 595 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [1,0,0,1,0,0|2,0,0]=4 596 B13R2.13 BrC1=CC(N2CCCC2)=CC=C1 B52719 [0,1,0,1,0,0|1,1,0]=4 597 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 B52731 [0,1,0,1,0,0|1,1,0]=4 598 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 B52736 [0,1,0,1,0,0|1,1,0]=4 599 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 B63734 [0,1,0,1,0,0|1,1,0]=4 600 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 B52733 [0,1,0,1,0,0|0,1,0]=3 601 B13R2.13 CC1=CC=CC([C@@H]2CCCN2)=C1 M54821 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.13 ClC1=CC([C@H]2CCCN2)=CC=C1 C52744 [0,1,0,1,0,0|1,1,0]=4 603 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F22907 [0,1,0,1,0,0|1,0,0]=3 604 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F52749 [0,1,0,1,0,0|1,0,0]=3 605 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F54122 [0,1,0,1,0,0|1,0,0]=3 606 B13R2.13 NC1=CC=CC([C@H]2CCCN2)=C1 P54179 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N M55488 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 B60390 [0,1,0,1,0,0|0,1,0]=3 609 B13R2.162 NC1=CC2=C(C=C1)CCC[C@@H]2O A52930 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.162 N[C@@H]1CCOC2=C1C=C(F)C=C2 F49861 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B36947 [0,1,0,1,0,0|1,1,0]=4 612 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B52739 [0,1,0,1,0,0|1,1,0]=4 613 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 F52082 [0,1,0,1,0,0|2,0,0]=4 614 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 F52086 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 F60529 [0,1,0,1,0,0|2,0,0]=4 616 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 B64112 [0,1,0,1,0,0|1,1,0]=4 617 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 C65515 [0,1,0,1,0,0|1,1,0]=4 618 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 F65022 [0,1,0,1,0,0|1,0,0]=3 619 B13R2.162 O=C1CCCC2=C1C=C(F)C=C2 F54059 [0,1,0,1,0,0|1,0,1]=4 620 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N M55486 [0,1,0,1,0,0|2,0,0]=4 621 B13R2.342 CC1=CC=CC2=C1CCC[C@H]2N M54825 [0,1,0,1,0,0|2,0,0]=4 622 B13R2.342 N[C@@H]1CCCC2=C(Br)C=CC=C21 B63754 [0,1,0,1,0,0|1,1,0]=4 623 B13R2.342 N[C@@H]1CCOC2=C(F)C=CC=C21 F52085 [0,1,0,1,0,0|2,0,0]=4 624 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52725 [0,1,0,1,0,0|1,1,0]=4 625 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52737 [0,1,0,1,0,0|1,1,0]=4 626 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52742 [0,1,0,1,0,0|1,1,0]=4 627 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 F52751 [0,1,0,1,0,0|1,0,0]=3 628 B13R2.342 N[C@H]1CCOC2=C(F)C=CC=C21 F5362 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.342 N[C@H]1CCOC2=C(F)C=CC=C21 F63740 [0,1,0,1,0,0|2,0,0]=4 630 B13R2.342 N[C@H]1CCOC2=C(F)C=CC=C21 F63860 [0,1,0,1,0,0|2,0,0]=4 631 B13R2.342 O=C1CCCC2=C(F)C=CC=C12 F38818 [0,1,0,1,0,0|1,0,1]=4 632 B13R2.3018 CC1(C2=CC=CC(Br)=C2)COC1 B11947 [0,1,0,1,0,0|1,1,0]=4 633 B13R2.3018 CC1=CC=CC(C2(N)COC2)=C1 T8508 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.3018 NC1(C2=CC=CC(Br)=C2)COC1 A8397 [0,1,0,1,0,0|1,1,0]=4 635 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)COC1 C8581 [0,1,0,1,0,0|1,1,0]=4 636 B13R2.3018 NC1(C2=CC=CC(F)=C2)COC1 F8584 [0,1,0,1,0,0|1,0,0]=3 637 B13R2.3018 NC1(C2=CC=CC(I)=C2)COC1 I8586 [0,1,0,1,0,0|1,1,0]=4 638 B13R2.3018 OC1(C2=CC=CC(Br)=C2)COC1 B8450 [0,1,0,1,0,0|1,1,0]=4 639 B13R2.4857 CN1N=C(N)C2=CC=CC(F)=C21 A3545 [0,1,0,1,0,0|1,0,1]=4 640 B13R2.5187 CN1N=C(N)C2=C1C=CC(F)=C2 A3541 [0,1,0,1,0,0|1,0,1]=4 641 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2Br B63747 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2F D36738 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 B52729 [0,1,0,1,0,0|1,1,0]=4 644 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 B52730 [0,1,0,1,0,0|1,1,0]=4 645 B13R2.3729 BrC1=CC2=C(C=C1)CNCCO2 B37374 [0,1,0,1,0,0|0,1,0]=3 646 B13R2.3729 FC1=CC2=C(C=C1)CNCCC2 F54128 [0,1,0,1,0,0|0,0,0]=2 647 B13R2.4818 CC1=CC=CC2=C1C(=O)NCC2 M52554 [0,1,0,1,0,0|1,0,1]=4 648 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 T13686 [0,1,0,1,0,0|1,0,0]=3 649 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 M37521 [0,1,0,1,0,0|1,0,1]=4 650 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 M55487 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.5179 CN1CCNC2=C1C=CC(Br)=C2 B49981 [0,1,0,1,0,0|0,1,0]=3 652 B13R2.5179 CN1CCOC2=C1C=CC(Br)=C2 B49853 [0,1,0,1,0,0|0,1,0]=3 653 B13R2.5179 CN1CCOC2=C1C=CC(N)=C2 M63888 [0,1,0,1,0,0|1,0,0]=3 654 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(F)=C2 F52084 [0,1,0,1,0,0|2,0,0]=4 655 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 B32355 [0,1,0,1,0,0|1,1,0]=4 656 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 B52738 [0,1,0,1,0,0|1,1,0]=4 657 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 C52743 [0,1,0,1,0,0|1,1,0]=4 658 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 F54129 [0,1,0,1,0,0|1,0,0]=3 659 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 F52083 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.5179 O=C1CCCC2=C1C=CC(F)=C2 F54057 [0,1,0,1,0,0|1,0,1]=4 661 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 F51257 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 I13836 [0,1,0,1,0,0|0,1,1]=4 663 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 C11175 [0,1,0,1,0,0|0,1,1]=4 664 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 F51539 [0,1,0,1,0,0|0,0,1]=3 665 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 F63760 [0,1,0,1,0,0|1,0,0]=3 666 B13R2.5331 BrC1=CC(SCC2CC2)=CC=C1 B2981 [0,1,0,1,0,0|1,1,0]=4 667 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52728 [0,1,0,1,0,0|1,1,0]=4 668 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52740 [0,1,0,1,0,0|1,1,0]=4 669 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 F52752 [0,1,0,1,0,0|1,0,0]=3 670 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)C1 F64116 [0,1,0,1,0,0|1,0,1]=4 671 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 B22286 [0,1,0,1,0,0|0,1,1]=4 672 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 A12401 [0,1,0,1,0,0|1,0,1]=4 673 B13R2.5190 C[C@H]1CC2=C(C=CC(F)=C2)C1=O F54060 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.141 FC1=CC(F)=CC(OC2CC2)=C1 C61386 [0,1,0,1,0,0|2,0,0]=4 675 B13R2.11642 N[C@H]1CCC2=CC(F)=CC(F)=C21 D52230 [0,1,0,1,0,0|2,0,0]=4 676 B13R2.11642 N[C@H]1CCC2=CC(F)=CC(F)=C21 D52232 [0,1,0,1,0,0|2,0,0]=4 677 B13R2.11642 O=C1CCC2=CC(Br)=CC(F)=C12 B51013 [0,1,0,1,0,0|2,0,0]=4 678 B13R2.11642 O=C1CCC2=CC(Cl)=CC(F)=C12 C51027 [0,1,0,1,0,0|2,0,0]=4 679 B13R2.11642 O=C1CCC2=CC(F)=CC(Br)=C12 B51016 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.11642 O=C1CCC2=CC(F)=CC(F)=C12 D51031 [0,1,0,1,0,0|2,0,0]=4 681 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 M54237 [0,1,0,1,0,0|1,0,0]=3 682 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 M52933 [0,1,0,1,0,0|1,0,0]=3 683 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 B52726 [0,1,0,1,0,0|1,1,0]=4 684 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)C1 B64120 [0,1,0,1,0,0|1,1,0]=4 685 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)C1 C64119 [0,1,0,1,0,0|1,1,0]=4 686 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 F54058 [0,1,0,1,0,0|1,0,0]=3 687 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)C1 H52422 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.3683 O[C@H]1CCC2=C(C=CC(Br)=C2)C1 B37785 [0,1,0,1,0,0|1,1,0]=4 689 B13R2.371 NC1=C2CNCCC2=C(Br)C=C1 B49980 [0,1,0,1,0,0|1,0,0]=3 690 B13R2.5151 CC1=C2CCC(=O)C2=C(F)C=C1 F54061 [0,1,0,1,0,0|2,0,0]=4 691 B13R2.5151 N[C@H]1CCC2=C(F)C=CC(F)=C21 D52229 [0,1,0,1,0,0|2,0,0]=4 692 B13R2.5151 N[C@H]1CCC2=C(F)C=CC(F)=C21 D52231 [0,1,0,1,0,0|2,0,0]=4 693 B13R2.5151 O=C1CCC2=C(Br)C=CC(F)=C12 B51012 [0,1,0,1,0,0|2,0,0]=4 694 B13R2.5151 O=C1CCC2=C(Cl)C=CC(F)=C12 C51024 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.5151 O=C1CCC2=C(F)C=CC(F)=C12 D51030 [0,1,0,1,0,0|2,0,0]=4 696 B13R2.57 C#CC1=CC2=C(C=C1)CCCC2 E64380 [0,1,0,1,0,0|2,0,0]=4 697 B13R2.57 COC1=CC2=C(C=C1)CNCC2 M52929 [0,1,0,1,0,0|1,0,0]=3 698 B13R2.57 COC1=CC2=C(C=C1)CNCC2 M54154 [0,1,0,1,0,0|1,0,0]=3 699 B13R2.57 N#CC1=CC2=C(C=C1)CNCC2 T54086 [0,1,0,1,0,0|1,0,0]=3 700 B13R2.1613 O=CC1=C2CCCCC2=CC=C1 T54552 [0,1,0,1,0,0|2,0,0]=4 701 B13R2.1613 OCC1=C2CCCCC2=CC=C1 T54761 [0,1,0,1,0,0|2,0,0]=4 702 B13R2.369 CC1=C(Br)C=C2CNCCC2=C1 B60076 [0,1,0,1,0,0|1,0,0]=3 703 B13R2.369 ClC1=C(Cl)C=C2CNCCC2=C1 D51746 [0,1,0,1,0,0|0,1,0]=3 704 B13R2.522 N[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 D15495 [0,1,0,1,0,0|2,0,0]=4 705 B13R2.522 N[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 D23370 [0,1,0,1,0,0|2,0,0]=4 706 B13R2.522 N[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 D52233 [0,1,0,1,0,0|2,0,0]=4 707 B13R2.522 N[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 D57399 [0,1,0,1,0,0|2,0,0]=4 708 B13R2.11634 N[C@H]1CCC2=CC(F)=C(F)C=C21 D51748 [0,1,0,1,0,0|2,0,0]=4 709 B13R2.11634 O=C1CCC2=CC(F)=C(Br)C=C12 B51015 [0,1,0,1,0,0|2,0,0]=4 710 B13R2.11634 O=C1CCC2=CC(F)=C(Cl)C=C12 C51029 [0,1,0,1,0,0|2,0,0]=4 711 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 D36690 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [1,0,0,0,1,0|1,1,0]=4 713 B9R1.12 CCCCC1=CSC=C1 B47048 [1,0,0,0,1,0|2,0,0]=4