0 B6R0.6 CCCNCCC AB02251 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 COCCCON MB19791 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 COCCN=C=O AB50988 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C(CC#N)CN AB52761 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.2 COCCON MB08235 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.1 CNCCCCC=C CB11323 [0,1,0,0,0,0|1,0,1]=3 6 B7R0.3 COC(=O)CCCO AB65249 [0,1,0,0,0,0|1,0,1]=3 7 B7R0.3 C[C@H](CO)OCOC AB53701 [0,1,0,0,0,0|2,0,0]=3 8 B7R0.4 B(CCCCC)(O)O AB08098 [0,1,0,0,0,0|1,0,0]=2 9 B7R0.4 B(\C=C\CCC)(O)O AB08112 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.4 CC(C)CCN=C=O AB54602 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.4 CN(C)CCC[Mg]Cl AB55603 [0,1,0,0,0,0|3,0,0]=4 13 B7R1.1 C#CC1CCOC1 PB28898 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.1 C1C=CCC1CBr AB76476 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.1 C1C=CCC1CO PB12789 [0,0,0,1,0,0|0,0,2]=3 16 B7R1.1 C1CC(NC1)C#N PB19916 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.1 C1CC(OC1)CI AB24846 [0,0,0,1,0,0|1,0,0]=2 18 B7R1.1 C1CC(OC1)CN AB00408 [0,0,0,1,0,0|1,0,0]=2 19 B7R1.1 C1CC=C(C1)CBr PB30182 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.1 C1CCC(C1)C=O AB02400 [0,0,0,1,0,0|0,0,2]=3 21 B7R1.1 C1CCC(C1)CBr AB50196 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.1 C1CCC(C1)CI AB15507 [0,0,0,1,0,0|1,0,0]=2 23 B7R1.1 C1CCC(C1)CN AB17884 [0,0,0,1,0,0|1,0,0]=2 24 B7R1.1 C1CNCC1C#N PB12572 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.1 C1CNCC1CO PB15896 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.1 C1CNCC1CO PB31387 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.1 C1CNC[C@@H]1C#N PB25426 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.1 C1CNC[C@H]1C#N PB10931 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.1 C1CNC[C@H]1CO PB31350 [0,0,0,1,0,0|1,0,0]=2 32 B7R1.1 C1CNC[C@H]1CO PB32765 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.1 C1COCC1C#N PB22187 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.1 C1COCC1CBr PB10518 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.1 C1COCC1CCl MB04735 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.1 C1COCC1CI PB23453 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.1 C1COCC1CN PB10526 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.1 C1COCC1CO PB30586 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.1 C1COC[C@@H]1C#N PB19741 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.1 C1COC[C@@H]1CN PB15453 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.1 C1COC[C@@H]1CO PB30186 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.1 C1COC[C@H]1C#N PB11493 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.1 C1COC[C@H]1CN PB18204 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.1 C1COC[C@H]1CO PB34870 [0,0,0,1,0,0|1,0,0]=2 45 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,0,0,1,0,0|1,0,0]=2 48 B7R1.1 C1C[C@H](NC1)C#N PB29383 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.1 CCC1CCCN1 AB12042 [0,0,0,1,0,0|1,0,0]=2 53 B7R1.1 CCC1CCNC1 AB41905 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.1 CNC1CCOC1 PB17482 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.1 COC1CCNC1 PB31357 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.1 CO[C@@H]1CCNC1 PB20659 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.1 CO[C@@H]1CCNC1 PB26535 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.1 CO[C@H]1CCNC1 PB10788 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,1,0,0|1,0,2]=4 65 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,1,0,0|1,1,0]=3 69 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,1,0,0|1,0,0]=2 72 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,1,0,0|1,0,0]=2 73 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,1,0,0|1,0,0]=2 75 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.3 C1CNCCC1Cl AB14164 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.3 C1CNCCC1F AB13264 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.3 C1CNCCC1F PB24811 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.3 C1CNCCC1N AB11093 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.3 C1CNCCC1S PB26690 [0,0,0,1,0,0|1,1,0]=3 81 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.3 C1COC(CN1)O CB11808 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.3 C1COCCC1=O PB24536 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.3 C1COCCC1Br PB24975 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.3 C1COCCC1Cl AB02848 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.3 C1COCCC1I PB13042 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.3 C1COCCC1N AB11128 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.3 C1COCCC1N PB27421 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.3 C1COCCC1O PB11583 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.3 C1CSCCC1N AB32569 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,1,0,0|1,0,0]=2 99 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 CC1CNCCO1 PB23610 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.3 CC1COCCN1 AB49614 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,0,1,0,0|1,0,0]=2 104 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.3 C[C@H]1COCCN1 AB16412 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.4 C1[C@@H]([C@H](CN1)F)F PB37373 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.4 C1[C@H]([C@H](CN1)F)F PB36231 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.6 C1C(CO1)CC=O PB14037 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.6 C1C(CO1)CCN AB76310 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.6 C1C(CO1)CCO PB15326 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.6 C1CC(C1)CC=O AB49507 [0,0,0,1,0,0|0,0,2]=3 130 B7R1.6 C1CC(C1)CCN PB23748 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.6 C1CC(C1)N=C=O AB55242 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.6 C1CN(C1)CCCl PB37452 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.6 CCNC1COC1 PB13879 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.6 CCOC1CNC1 AB30388 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.6 CNCC1COC1 PB36516 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.6 COCC1CCN1 PB36845 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.6 COCC1CNC1 PB23654 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.6 COC[C@@H]1CCN1 PB36728 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.6 COC[C@H]1CCN1 PB28355 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.7 C1CC1CN=C=O AB71485 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.7 C1CC1OCCCl AB18070 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.8 C1CC(=O)C1CO PB37542 [0,0,0,1,0,0|1,0,1]=3 143 B7R1.8 CN1CCC1CN PB37073 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.8 CN1CC[C@@H]1CN PB35830 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.8 CN1CC[C@H]1CN PB38844 [0,0,0,1,0,0|2,0,0]=3 146 B4R0.2 C(CN)CCl AB06220 [2,0,0,0,0,0|2,0,0]=4 147 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|0,0,2]=4 148 B6R0.1 CCOC(=N)CO AB60920 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.1 COCC(CO)N AB24949 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.4 CN(C)CCCBr AB52731 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.7 B(CCCCCC)(O)O AB08083 [0,2,0,0,0,0|0,0,0]=2 152 B8R0.7 B(\C=C\CCCC)(O)O AB08038 [0,2,0,0,0,0|0,0,2]=4 153 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,2,0,0,0,0|1,0,1]=4 154 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,2,0,0,0,0|0,0,1]=3 155 B8R0.21 C(CO)NCC(F)(F)F AB60683 [0,2,0,0,0,0|2,0,0]=4 156 B8R0.21 [B-](CCCCC)(F)(F)F AB31994 [0,2,0,0,0,0|2,0,0]=4 157 B6R1.2 C1CNCC1F AB27153 [1,0,0,1,0,0|2,0,0]=4 158 B6R1.2 C1CNCC1F PB27633 [1,0,0,1,0,0|2,0,0]=4 159 B6R1.2 C1CNCC1O PB24775 [1,0,0,1,0,0|1,0,0]=3 160 B6R1.2 C1CNC[C@@H]1F AB27158 [1,0,0,1,0,0|2,0,0]=4 161 B6R1.2 C1CNC[C@@H]1F PB23386 [1,0,0,1,0,0|2,0,0]=4 162 B6R1.2 C1CNC[C@@H]1N AB02820 [1,0,0,1,0,0|2,0,0]=4 163 B6R1.2 C1CNC[C@@H]1O PB17129 [1,0,0,1,0,0|1,0,0]=3 164 B6R1.2 C1CNC[C@@H]1O PB18456 [1,0,0,1,0,0|1,0,0]=3 165 B6R1.2 C1CNC[C@H]1F AB27154 [1,0,0,1,0,0|2,0,0]=4 166 B6R1.2 C1CNC[C@H]1F PB20102 [1,0,0,1,0,0|2,0,0]=4 167 B6R1.2 C1CNC[C@H]1N AB02823 [1,0,0,1,0,0|2,0,0]=4 168 B6R1.2 C1CNC[C@H]1O PB30638 [1,0,0,1,0,0|1,0,0]=3 169 B6R1.2 C1CNC[C@H]1O PB32171 [1,0,0,1,0,0|1,0,0]=3 170 B6R1.2 C1COCC1Br PB20333 [1,0,0,1,0,0|2,0,0]=4 171 B6R1.2 C1COCC1I PB14773 [1,0,0,1,0,0|2,0,0]=4 172 B6R1.2 C1COCC1N PB27801 [1,0,0,1,0,0|2,0,0]=4 173 B6R1.2 C1COCC1O PB24525 [1,0,0,1,0,0|1,0,0]=3 174 B6R1.2 C1COC[C@@H]1I PB34863 [1,0,0,1,0,0|2,0,0]=4 175 B6R1.2 C1COC[C@@H]1N PB10514 [1,0,0,1,0,0|2,0,0]=4 176 B6R1.2 C1COC[C@@H]1O PB17096 [1,0,0,1,0,0|1,0,0]=3 177 B6R1.2 C1COC[C@H]1I PB22839 [1,0,0,1,0,0|2,0,0]=4 178 B6R1.2 C1COC[C@H]1N PB18852 [1,0,0,1,0,0|2,0,0]=4 179 B6R1.2 C1COC[C@H]1O PB25950 [1,0,0,1,0,0|1,0,0]=3 180 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|0,0,2]=4 181 B6R1.2 CC1CCCN1 AB44503 [1,0,0,1,0,0|1,0,0]=3 182 B6R1.2 CC1CCNC1 AB41901 [1,0,0,1,0,0|1,0,0]=3 183 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,1,0,0|1,0,0]=3 184 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,1,0,0|1,0,0]=3 185 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,1,0,0|1,0,0]=3 186 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,1,0,0|1,0,0]=3 187 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,1,0,0|1,0,0]=3 188 B6R1.3 C1CC1CC#N PB18433 [1,0,0,1,0,0|1,0,1]=4 189 B6R1.3 C1CC1CC=O AB51242 [1,0,0,1,0,0|0,0,2]=4 190 B6R1.3 C1CC1CCN AB23437 [1,0,0,1,0,0|1,0,0]=3 191 B6R1.3 C1CC1CCN PB11093 [1,0,0,1,0,0|1,0,0]=3 192 B6R1.3 C1CC1CCO PB24555 [1,0,0,1,0,0|0,0,0]=2 193 B6R1.3 C1CC1CNN PB30981 [1,0,0,1,0,0|2,0,0]=4 194 B6R1.3 C1CC1CON AB21122 [1,0,0,1,0,0|2,0,0]=4 195 B6R1.4 CC1C(CN1)O PB39176 [1,0,0,1,0,0|1,0,0]=3 196 B6R1.6 C1C(CN1)CO PB34326 [1,0,0,1,0,0|1,0,0]=3 197 B6R1.6 C1C(CO1)CCl MB06442 [1,0,0,1,0,0|2,0,0]=4 198 B6R1.6 C1C(CO1)CI PB11384 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.6 C1C(CO1)CN PB26850 [1,0,0,1,0,0|2,0,0]=4 200 B6R1.6 C1C(CO1)CO PB28641 [1,0,0,1,0,0|1,0,0]=3 201 B6R1.6 C1C(CS1)CN PB19286 [1,0,0,1,0,0|2,0,0]=4 202 B6R1.6 C1CC(C1)CN PB27388 [1,0,0,1,0,0|1,0,0]=3 203 B6R1.6 C1CNC1CN PB33610 [1,0,0,1,0,0|2,0,0]=4 204 B6R1.6 C1CNC1CO PB21145 [1,0,0,1,0,0|1,0,0]=3 205 B6R1.6 C1CN[C@H]1CO PB13255 [1,0,0,1,0,0|1,0,0]=3 206 B6R1.6 C1COC1CBr PB10565 [1,0,0,1,0,0|1,0,0]=3 207 B6R1.6 C1COC1CI PB32950 [1,0,0,1,0,0|1,0,0]=3 208 B6R1.6 C1COC1CN PB12865 [1,0,0,1,0,0|1,0,0]=3 209 B6R1.6 C1COC1CO PB20918 [1,0,0,1,0,0|1,0,0]=3 210 B6R1.6 CNC1COC1 PB25068 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.6 COC1CNC1 PB27751 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.2 C#CC1CCCNC1 PB26666 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.2 C#CC1CCCOC1 PB11321 [0,1,0,1,0,0|0,0,2]=4 215 B8R1.2 C#CC1CCNCC1 PB19413 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.2 C#CC1CCOCC1 PB24300 [0,1,0,1,0,0|1,0,1]=4 217 B8R1.2 C#CC1CCSCC1 PB39036 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.2 C#CC1COCCO1 AB73245 [0,1,0,1,0,0|0,0,2]=4 219 B8R1.2 C1CC(CNC1)C#N AB09048 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.2 C1CC(CNC1)C#N PB31344 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.2 C1CC(CNC1)CN AB17390 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.2 C1CC(CNC1)CO PB21599 [0,1,0,1,0,0|0,0,0]=2 223 B8R1.2 C1CC(COC1)C=O AB16155 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.2 C1CC(COC1)CBr PB14565 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.2 C1CC(COC1)CN PB23481 [0,1,0,1,0,0|1,0,0]=3 226 B8R1.2 C1CC(COC1)CO PB12514 [0,1,0,1,0,0|0,0,0]=2 227 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.2 C1CCN(CC1)CCl AB16725 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.2 C1CCNC(C1)C#N AB13841 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.2 C1CCNC(C1)C=O AB52540 [0,1,0,1,0,0|0,0,2]=4 231 B8R1.2 C1CCOC(C1)C=O MB05934 [0,1,0,1,0,0|0,0,1]=3 232 B8R1.2 C1CCOC(C1)CBr MB00206 [0,1,0,1,0,0|0,0,0]=2 233 B8R1.2 C1CCOC(C1)CN AB28292 [0,1,0,1,0,0|0,0,0]=2 234 B8R1.2 C1CCOC(C1)CO AB00784 [0,1,0,1,0,0|0,0,0]=2 235 B8R1.2 C1CNCCC1C#N PB14665 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.2 C1CNCCC1C=O AB52543 [0,1,0,1,0,0|0,0,2]=4 237 B8R1.2 C1CNCCC1CBr AB52518 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.2 C1CNCCC1CBr MB02967 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.2 C1CNCCC1CF PB14869 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.2 C1CNCCC1CO PB10118 [0,1,0,1,0,0|0,0,0]=2 241 B8R1.2 C1COC(CN1)C#N MB01840 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.2 C1COC(CN1)CN PB15765 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.2 C1COC(CO1)CCl AB10617 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.2 C1COC(CO1)CN AB10620 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.2 C1COCC(N1)CO AB17137 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.2 C1COCCC1=NO AB55822 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.2 C1COCCC1C#N PB20297 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.2 C1COCCC1C=O AB14645 [0,1,0,1,0,0|0,0,2]=4 249 B8R1.2 C1COCCC1CBr PB20063 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.2 C1COCCC1CCl AB71513 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.2 C1COCCC1CI PB24898 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.2 C1COCCC1CN AB14272 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.2 C1COCCC1CN PB27569 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.2 C1COCCC1CO PB18487 [0,1,0,1,0,0|0,0,0]=2 255 B8R1.2 C1COCCC1NN PB16645 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.2 C1COCCN1CCl AB16667 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.2 C1COC[C@@H](N1)CN AB71789 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.2 C1COC[C@@H](N1)CO AB29968 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.2 C1CSCCC1C#N PB29580 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.2 C1CSCCC1C=O AB14650 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.2 C1CSCCC1CN PB35740 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.2 C1CSCCC1CO PB28111 [0,1,0,1,0,0|0,0,0]=2 263 B8R1.2 C1C[C@@H](CNC1)C#N PB37391 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.2 C1C[C@H](CNC1)C#N PB37352 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.2 CCC1CNCCN1 AB13949 [0,1,0,1,0,0|1,0,0]=3 266 B8R1.2 CCC1CNCCO1 AB49621 [0,1,0,1,0,0|0,0,0]=2 267 B8R1.2 CCC1COCCN1 AB49617 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.2 CNC1CCNCC1 PB15642 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.2 CNC1CCOCC1 PB29392 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.2 COC1CCCNC1 PB14414 [0,1,0,1,0,0|1,0,0]=3 272 B8R1.2 COC1CCNCC1 PB10390 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.2 COC1CCNCC1 PB34075 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.2 CSC1CCNCC1 PB22682 [0,1,0,1,0,0|1,1,0]=4 279 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,1,0,0|0,0,2]=4 280 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,1,0,1,0,0|0,0,0]=2 281 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,1,0,1,0,0|0,0,0]=2 282 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,1,0,1,0,0|0,0,0]=2 284 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,1,0,1,0,0|0,0,0]=2 285 B8R1.5 C1CNC[C@H]([C@@H]1F)F PB37354 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.5 C1CNC[C@H]([C@H]1F)F PB38218 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,1,0,1,0,0|1,0,0]=3 292 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.5 CC1C(NCCN1)C AB36996 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.5 CC1C(OCCN1)C AB72725 [0,1,0,1,0,0|1,0,0]=3 297 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,1,0,0|0,0,2]=4 298 B8R1.5 CC1CCNCC1O PB36981 [0,1,0,1,0,0|0,0,0]=2 299 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,1,0,0|0,0,2]=4 300 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,1,0,0|0,0,2]=4 301 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,1,0,1,0,0|0,0,0]=2 302 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,1,0,1,0,0|0,0,0]=2 303 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,1,0,1,0,0|0,0,0]=2 304 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.5 C[C@@H]1[C@H](NCCN1)C AB36998 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,1,0,1,0,0|0,0,0]=2 307 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.5 C[C@H]1[C@@H](NCCN1)C AB36997 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.8 C#CCN1CCCC1 AB15844 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.8 C1CC(NC1)CCO CB10162 [0,1,0,1,0,0|0,0,0]=2 311 B8R1.8 C1CC(NC1)CCO PB35354 [0,1,0,1,0,0|0,0,0]=2 312 B8R1.8 C1CC(OC1)CC#N MB02666 [0,1,0,1,0,0|0,0,1]=3 313 B8R1.8 C1CC(OC1)CC=O AB76318 [0,1,0,1,0,0|0,0,1]=3 314 B8R1.8 C1CC(OC1)CCI AB76593 [0,1,0,1,0,0|0,0,0]=2 315 B8R1.8 C1CC(OC1)CCN AB30605 [0,1,0,1,0,0|0,0,0]=2 316 B8R1.8 C1CCC(C1)CCN AB02350 [0,1,0,1,0,0|1,0,0]=3 317 B8R1.8 C1CCC(C1)CON CB11464 [0,1,0,1,0,0|0,0,0]=2 318 B8R1.8 C1CCC(C1)N=C=O AB10807 [0,1,0,1,0,0|0,0,2]=4 319 B8R1.8 C1CNCC1CCO PB20322 [0,1,0,1,0,0|0,0,0]=2 320 B8R1.8 C1COCC1CC=O AB75447 [0,1,0,1,0,0|0,0,2]=4 321 B8R1.8 C1COCC1CCI AB75456 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.8 C1COCC1CCN AB45457 [0,1,0,1,0,0|1,0,0]=3 323 B8R1.8 CCCC1CCCN1 AB12028 [0,1,0,1,0,0|1,0,0]=3 324 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.8 CCO[C@H]1CCNC1 PB29117 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.8 COCC1CCNC1 PB18902 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.8 COC[C@@H]1CCNC1 PB35406 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.8 COC[C@H]1CCNC1 PB35853 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.10 C1CC(C1)CN=C=O AB74239 [0,1,0,1,0,0|0,0,2]=4 332 B8R1.10 CCCOC1CNC1 AB30389 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,1,0,1,0,0|0,0,0]=2 334 B8R1.11 CN1CCC[C@@H]1CN PB21275 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,1,0,1,0,0|0,0,0]=2 336 B8R1.11 CN1CCC[C@H]1CN PB34570 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.11 CO[C@@H]1CNC[C@H]1F PB38222 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.11 CO[C@H]1CNC[C@@H]1O PB22508 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,1,0,1,0,0|0,0,2]=4 340 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,1,0,1,0,0|0,0,1]=3 341 B8R1.22 C1CC(CCNC1)F PB33307 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.22 C1CC(CCNC1)O PB18652 [0,1,0,1,0,0|0,0,0]=2 343 B8R1.22 C1CC(CCOC1)N AB70734 [0,1,0,1,0,0|0,0,0]=2 344 B8R1.22 C1CCNCC(C1)N AB11528 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [0,1,0,1,0,0|1,0,0]=3 346 B8R1.22 CC1CCNCCN1 PB17623 [0,1,0,1,0,0|1,0,0]=3 347 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.36 COCCNC1CC1 MB07709 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.1 C1C(CNC1=O)CO PB26709 [0,1,0,1,0,0|1,0,1]=4 350 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.1 CN1CCC(C1)CN PB23433 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.1 CN1CC[C@@H](C1)CN PB35492 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [0,1,0,1,0,0|1,0,0]=3 354 B8R1.1 CN1CC[C@H](C1)CN PB36038 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.1 CN1CC[C@H](C1)CO PB31861 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.3 C1C(OCC(O1)O)O PB11588 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,1,0,0|0,0,2]=4 358 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,1,0,1,0,0|0,0,0]=2 359 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,1,0,1,0,0|0,0,0]=2 360 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,1,0,1,0,0|0,0,0]=2 361 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,1,0,1,0,0|0,0,0]=2 362 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,1,0,0|1,0,1]=4 363 B8R1.3 CC1CNC(CO1)C AB55657 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.3 CN1CCC(CC1)Cl AB01976 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.3 CN1CCC(CC1)N PB32253 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.3 CN1CCC(CC1)O PB18398 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.3 C[C@@H]1CN[C@@H](CN1)C AB48053 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.3 C[C@@H]1CN[C@H](CN1)C AB02818 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.47 COC1CC(C1)CN PB39135 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.47 CO[C@H]1C[C@@H](C1)CN PB37092 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.47 CO[C@H]1C[C@H](C1)CN PB37242 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.52 C1C=CCC1(CO)N AB20183 [0,1,0,1,0,0|0,0,2]=4 373 B8R1.52 C1CCC(C1)(C#N)N MB03474 [0,1,0,1,0,0|1,0,1]=4 374 B8R1.52 C1CNCC1(CF)O PB38621 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.52 C1CNCC1(CO)O PB38183 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.52 C1COCC1(CO)N PB16775 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.52 CC1(CCCO1)CN PB14687 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.52 CC1(CCOC1)CN PB30140 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.52 CC1(OCCO1)CN AB61528 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.52 C[C@@]1(CCCN1)CO PB37364 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.52 C[C@]1(CCCN1)CO PB35769 [0,1,0,1,0,0|1,0,0]=3 382 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,1,0,0|1,0,1]=4 383 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|0,0,1]=3 385 B8R1.4 CC1CC(CCN1)O PB10241 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.4 CC1CC(CCO1)O PB22789 [0,1,0,1,0,0|0,0,0]=2 387 B8R1.4 CC1COCC(N1)C AB02607 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.4 CN1CCCC(C1)N PB12415 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.4 CN1CCCC(C1)O PB17042 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.4 CN1CCC[C@H](C1)N PB33333 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|0,0,1]=3 396 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.4 C[C@@H]1CNC[C@@H](N1)C PB23510 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.4 C[C@@H]1CNC[C@H](N1)C AB48105 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.4 C[C@@H]1COC[C@@H](N1)C PB22631 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|0,0,1]=3 405 B8R1.4 C[C@H]1CNC[C@@H](N1)C AB48104 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.4 C[C@H]1COC[C@@H](N1)C MB13620 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.6 CCOC1CC(C1)N PB35675 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.6 CCO[C@H]1C[C@@H](C1)N PB36228 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.6 CCO[C@H]1C[C@H](C1)N PB37547 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.6 CN1CC(C1)CCO PB13968 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.7 B(C1CCCC1)(O)O AB08034 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.7 B(C1CCNC1)(O)O AB68586 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.7 C1CC(NC1)C(F)F AB85539 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,1,0,1,0,0|0,0,1]=3 418 B8R1.7 C1CNCC1C(=O)O PB19915 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.7 CC(C)[C@@H]1CCNC1 AB66437 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.7 CC(C)[C@H]1CCNC1 AB66440 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.27 C1C(C1(F)F)CCBr AB72369 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.27 C1C(C1(F)F)CCN AB72366 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.27 C1C(C1(F)F)CCO AB72363 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.27 CNCC1CC1(F)F AB85442 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.48 C1CC(C1CN)(F)F PB39114 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.48 C1CC(C1CO)(F)F PB38589 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.72 C1CC(CNC1)(F)F PB23351 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.72 C1CNCCC1(F)F PB29234 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.72 CC1(CCCCN1)C AB58454 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.72 CC1(CCCNC1)O PB32801 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.72 CC1(CCNCC1)C AB17027 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.72 CC1(CCNCC1)C PB14098 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.72 CC1(CCNCC1)N AB48443 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.72 CC1(CCNCC1)O PB10877 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.72 CC1(CCNCC1)O PB32903 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.72 CC1(CCOCC1)N PB22590 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.72 CC1(CNCCN1)C AB29948 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.72 CC1(CNCCO1)C AB51044 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.72 CC1(COCCN1)C AB50978 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.37 C1CC1C(CCO)N AB14427 [0,1,0,1,0,0|0,0,0]=2 449 B8R1.66 C1C(CO1)(CCO)N PB37308 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.66 CC1(COC1)CCN AB76816 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.66 CC1(COC1)CCO PB30267 [0,1,0,1,0,0|1,0,0]=3 452 B8R2.11 C1C2C(C2N)CN1 AB20675 [0,0,0,2,0,0|2,0,0]=4 453 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 PB28802 [0,0,0,2,0,0|1,0,0]=3 454 B8R2.22 C1CC2C1CNC2 PB22724 [0,0,0,2,0,0|1,0,0]=3 455 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [0,0,0,2,0,0|1,0,0]=3 456 B8R2.34 C1[C@@H]2CN[C@H]1CN2 AB62663 [0,0,0,2,0,0|2,0,0]=4 457 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [0,0,0,2,0,0|1,0,0]=3 458 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [0,0,0,2,0,0|1,0,0]=3 459 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [0,0,0,2,0,0|1,0,0]=3 460 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [0,0,0,2,0,0|1,0,0]=3 461 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [0,0,0,2,0,0|1,0,0]=3 462 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [0,0,0,2,0,0|1,0,0]=3 463 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [0,0,0,2,0,0|1,0,0]=3 464 B8R2.55 C1CC12CCNC2 PB33559 [0,0,0,2,0,0|2,0,0]=4 465 B8R2.55 C1CC2(CC2)NC1 PB38198 [0,0,0,2,0,0|1,0,0]=3 466 B8R2.18 C1C2C1CC(C2)N PB21479 [0,0,0,2,0,0|1,0,0]=3 467 B8R2.25 C1CNCC2C1C2 PB26945 [0,0,0,2,0,0|1,0,0]=3 468 B8R2.42 C1CC2(C1)CCN2 PB19774 [0,0,0,2,0,0|1,0,0]=3 469 B8R2.42 C1CC2(C1)CNC2 PB10895 [0,0,0,2,0,0|2,0,0]=4 470 B8R2.42 C1CC2(C1)CNC2 PB38842 [0,0,0,2,0,0|2,0,0]=4 471 B8R2.42 C1CNC12COC2 AB66656 [0,0,0,2,0,0|2,0,0]=4 472 B8R2.42 C1CNC12COC2 PB23099 [0,0,0,2,0,0|2,0,0]=4 473 B8R2.42 C1COC12CNC2 PB19580 [0,0,0,2,0,0|1,0,0]=3