0 B7R0.1 CNCCCCC=C CB11323 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CCCNCCC AB02251 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.6 COCCCON MB19791 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.7 B(CCCCCC)(O)O AB08083 [0,1,0,0,0,0|2,0,0]=3 4 B8R0.7 B(\C=C\CCCC)(O)O AB08038 [0,1,0,0,0,0|2,0,1]=4 5 B8R1.2 C#CC1CCCOC1 PB11321 [0,0,0,1,0,0|1,0,2]=4 6 B8R1.2 C#CC1COCCO1 AB73245 [0,0,0,1,0,0|0,0,2]=3 7 B8R1.2 C1CC(CNC1)CN AB17390 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.2 C1CC(CNC1)CO PB21599 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.2 C1CC(COC1)C=O AB16155 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.2 C1CC(COC1)CBr PB14565 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.2 C1CC(COC1)CN PB23481 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.2 C1CC(COC1)CO PB12514 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.2 C1CCN(CC1)CCl AB16725 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 C1CCNC(C1)C#N AB13841 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 C1CCNC(C1)C=O AB52540 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.2 C1CCOC(C1)C=O MB05934 [0,0,0,1,0,0|0,0,2]=3 18 B8R1.2 C1CCOC(C1)CBr MB00206 [0,0,0,1,0,0|1,0,0]=2 19 B8R1.2 C1CCOC(C1)CN AB28292 [0,0,0,1,0,0|1,0,0]=2 20 B8R1.2 C1CCOC(C1)CO AB00784 [0,0,0,1,0,0|0,0,0]=1 21 B8R1.2 C1CNCCC1CBr AB52518 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.2 C1CNCCC1CBr MB02967 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 C1CNCCC1CF PB14869 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.2 C1CNCCC1CO PB10118 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.2 C1COC(CN1)C#N MB01840 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 C1COC(CN1)CN PB15765 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.2 C1COC(CO1)CCl AB10617 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.2 C1COC(CO1)CN AB10620 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.2 C1COCC(N1)C#N AB53762 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.2 C1COCC(N1)CO AB17137 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 C1COCCC1CBr PB20063 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.2 C1COCCC1CCl AB71513 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.2 C1COCCC1CI PB24898 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.2 C1COCCC1CN AB14272 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.2 C1COCCC1CN PB27569 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.2 C1COCCC1CO PB18487 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.2 C1COC[C@@H](N1)CN AB71789 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.2 C1COC[C@@H](N1)CO AB29968 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.2 C1CSCCC1CN PB35740 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.2 C1CSCCC1CO PB28111 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.2 CCC1CNCCN1 AB13949 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.2 CCC1CNCCO1 AB49621 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.2 CCC1COCCN1 AB49617 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.2 COC1CCCNC1 PB14414 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.5 C1CNC[C@H]([C@@H]1F)F PB37354 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.5 C1CNC[C@H]([C@H]1F)F PB38218 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.5 C1COCC(C1=O)Br PB18064 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.5 C1COCC(C1=O)F PB28362 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,0,0,1,0,0|1,0,0]=2 63 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,0,0,1,0,0|1,0,0]=2 64 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.5 CC1CCNCC1=O PB36769 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.5 CC1CCNCC1O PB36981 [0,0,0,1,0,0|1,0,0]=2 68 B8R1.5 CC1COCCC1=O PB26907 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,0,0,1,0,0|1,0,0]=2 70 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.8 C#CCN1CCCC1 AB15844 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.8 C1CC(NC1)CCO CB10162 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.8 C1CC(NC1)CCO PB35354 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.8 C1CC(OC1)CC#N MB02666 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.8 C1CC(OC1)CC=O AB76318 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.8 C1CC(OC1)CCI AB76593 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.8 C1CC(OC1)CCN AB30605 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.8 C1CCC(C1)CCN AB02350 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.8 C1CCC(C1)CON CB11464 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.8 C1CNCC1CCO PB20322 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.8 C1COCC1CCI AB75456 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.8 C1COCC1CCN AB45457 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.8 CCCC1CCCN1 AB12028 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.10 CCCOC1CNC1 AB30389 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.11 CN1CCC[C@@H]1CN PB21275 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.11 CN1CCC[C@H]1CN PB34570 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.11 CO[C@@H]1CNC[C@H]1F PB38222 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.11 CO[C@H]1CNC[C@@H]1O PB22508 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.22 C1CC(CCNC1)F PB33307 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.22 C1CC(CCNC1)O PB18652 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.22 C1CC(CCOC1)N AB70734 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.22 C1CCNCC(C1)N AB11528 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.22 CC1CCNCCN1 PB17623 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.36 COCCNC1CC1 MB07709 [0,0,0,1,0,0|3,0,0]=4 106 B5R0.2 COCCON MB08235 [2,0,0,0,0,0|2,0,0]=4 107 B7R0.3 COC(=O)CCCO AB65249 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.3 C[C@H](CO)OCOC AB53701 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.4 B(CCCCC)(O)O AB08098 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,1,0,0,0,0|1,0,1]=4 111 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,2,0,0,0,0|1,0,1]=4 112 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,2,0,0,0,0|1,0,0]=3 113 B9R0.45 C#CCOCCOCCO AB02237 [0,2,0,0,0,0|0,0,1]=3 114 B9R0.45 C(COCCOCCO)N AB31123 [0,2,0,0,0,0|0,0,0]=2 115 B9R0.45 CCCCCCNCCN AB05874 [0,2,0,0,0,0|2,0,0]=4 116 B7R1.1 C#CC1CCOC1 PB28898 [1,0,0,1,0,0|0,0,2]=4 117 B7R1.1 C1C=CCC1CO PB12789 [1,0,0,1,0,0|0,0,2]=4 118 B7R1.1 C1CC(OC1)CI AB24846 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.1 C1CC(OC1)CN AB00408 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.1 C1CCC(C1)C=O AB02400 [1,0,0,1,0,0|0,0,2]=4 121 B7R1.1 C1CCC(C1)CBr AB50196 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.1 C1CCC(C1)CI AB15507 [1,0,0,1,0,0|1,0,0]=3 123 B7R1.1 C1CCC(C1)CN AB17884 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.1 C1CNCC1CO PB15896 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.1 C1CNCC1CO PB31387 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.1 C1CNC[C@@H]1CO PB12644 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.1 C1CNC[C@@H]1CO PB19010 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.1 C1CNC[C@H]1CO PB31350 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.1 C1CNC[C@H]1CO PB32765 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.1 C1COCC1C#N PB22187 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.1 C1COCC1CBr PB10518 [1,0,0,1,0,0|1,0,0]=3 132 B7R1.1 C1COCC1CCl MB04735 [1,0,0,1,0,0|1,0,0]=3 133 B7R1.1 C1COCC1CI PB23453 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.1 C1COCC1CN PB10526 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.1 C1COCC1CO PB30586 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.1 C1COC[C@@H]1C#N PB19741 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.1 C1COC[C@@H]1CN PB15453 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.1 C1COC[C@@H]1CO PB30186 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.1 C1COC[C@H]1C#N PB11493 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.1 C1COC[C@H]1CN PB18204 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.1 C1COC[C@H]1CO PB34870 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.1 C1C[C@@H](NC1)CO PB21663 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.1 C1C[C@H](NC1)CF PB15907 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.1 C1C[C@H](NC1)CN PB13488 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.1 C1C[C@H](NC1)CO PB30520 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.1 CCC1CCCN1 AB12042 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.1 CCC1CCNC1 AB41905 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.1 CC[C@@H]1CCNC1 AB74297 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.1 CNC1CCOC1 PB17482 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.1 CN[C@@H]1CCOC1 PB30485 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.1 CN[C@H]1CCOC1 PB11771 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.1 COC1CCNC1 PB31357 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.1 CO[C@@H]1CCNC1 PB20659 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.1 CO[C@@H]1CCNC1 PB26535 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.1 CO[C@H]1CCNC1 PB10788 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,1,0,0|0,0,2]=4 157 B7R1.3 C1CC(CNC1)F PB33693 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.3 C1CC(CNC1)O PB27381 [1,0,0,1,0,0|1,0,0]=3 159 B7R1.3 C1CC(CNC1)S PB34789 [1,0,0,1,0,0|1,1,0]=4 160 B7R1.3 C1CC(COC1)Br MB04535 [1,0,0,1,0,0|1,0,0]=3 161 B7R1.3 C1CC(COC1)N PB30901 [1,0,0,1,0,0|1,0,0]=3 162 B7R1.3 C1CC(COC1)O PB32182 [1,0,0,1,0,0|0,0,0]=2 163 B7R1.3 C1CCNC(C1)O MB03551 [1,0,0,1,0,0|1,0,0]=3 164 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,0]=3 165 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.3 C1CNCCC1Cl AB14164 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 C1CNCCC1F AB13264 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.3 C1CNCCC1F PB24811 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.3 C1CNCCC1N AB11093 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 C1CNCCC1S PB26690 [1,0,0,1,0,0|1,1,0]=4 171 B7R1.3 C1COC(CN1)O CB11808 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.3 C1COCCC1=O PB24536 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.3 C1COCCC1Br PB24975 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.3 C1COCCC1Cl AB02848 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.3 C1COCCC1I PB13042 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.3 C1COCCC1N AB11128 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.3 C1COCCC1N PB27421 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.3 C1COCCC1O PB11583 [1,0,0,1,0,0|1,0,0]=3 179 B7R1.3 C1CSCCC1N AB32569 [1,0,0,1,0,0|1,1,0]=4 180 B7R1.3 C1C[C@@H](CNC1)F PB24269 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.3 C1C[C@@H](CNC1)N AB15031 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.3 C1C[C@@H](CNC1)O PB26394 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.3 C1C[C@H](CNC1)F PB38654 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.3 C1C[C@H](CNC1)N AB29962 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.3 C1C[C@H](CNC1)O PB20930 [1,0,0,1,0,0|1,0,0]=3 186 B7R1.3 C1C[C@H](CNC1)O PB25197 [1,0,0,1,0,0|1,0,0]=3 187 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.3 CC1CNCCO1 PB23610 [1,0,0,1,0,0|1,0,0]=3 189 B7R1.3 CC1COCCN1 AB49614 [1,0,0,1,0,0|1,0,0]=3 190 B7R1.3 C[C@@H]1CNCCN1 AB04653 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.3 C[C@@H]1CNCCO1 PB14859 [1,0,0,1,0,0|1,0,0]=3 192 B7R1.3 C[C@@H]1COCCN1 AB62216 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.3 C[C@H]1CNCCN1 AB04288 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.3 C[C@H]1CNCCN1 AB14223 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.3 C[C@H]1CNCCN1 AB63406 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.3 C[C@H]1CNCCO1 PB26597 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.3 C[C@H]1COCCN1 AB16412 [1,0,0,1,0,0|1,0,0]=3 198 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [1,0,0,1,0,0|1,0,0]=3 202 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.6 C1C(CO1)CCN AB76310 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.6 C1C(CO1)CCO PB15326 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.6 C1CC(C1)CC=O AB49507 [1,0,0,1,0,0|0,0,2]=4 213 B7R1.6 C1CC(C1)CCN PB23748 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.6 C1CN(C1)CCCl PB37452 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.6 CCNC1COC1 PB13879 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.6 CCOC1CNC1 AB30388 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.6 COCC1CCN1 PB36845 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.6 COC[C@@H]1CCN1 PB36728 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.6 COC[C@H]1CCN1 PB28355 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.7 C1CC1OCCCl AB18070 [1,0,0,1,0,0|1,0,0]=3 221 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.8 CN1CCC1CN PB37073 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.8 CN1CC[C@@H]1CN PB35830 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.8 CN1CC[C@H]1CN PB38844 [1,0,0,1,0,0|2,0,0]=4 225 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,1,0,1,0,0|0,0,2]=4 227 B9R1.2 CC[C@@H]1CN(CCN1)C AB70353 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.7 CN1CCC(C1)CCO PB28645 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.8 C#CCC1COCCO1 AB73244 [0,1,0,1,0,0|0,0,1]=3 230 B9R1.8 C1CC(COC1)CC#N MB05839 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.8 C1CC(COC1)CCN MB05843 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.8 C1CCC(CC1)CC#N AB02345 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.8 C1CCC(CC1)CC=O MB02401 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.8 C1CCC(CC1)CCN AB02346 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.8 C1CCC(CC1)CCN AB09885 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.8 C1CCC(CC1)CNN AB23600 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.8 C1CCOC(C1)CC#N MB05835 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.8 C1CCOC(C1)CCN AB28415 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.8 C1CN(CCN1)CCCl AB25585 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.8 C1COCCC1CCBr AB52526 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.8 C1COCCC1CCI AB69545 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.8 C1COCCC1CCN AB14269 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.8 C1COCCC1CCN PB34023 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.8 C1COCCC1CCO PB27428 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.8 C1COCCN1CCI AB60701 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.8 C1CSCCN1CCN AB11122 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.8 CCCC1CNCCO1 AB70522 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.8 CCCC1COCCN1 AB53847 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.8 CNCC1CCCCO1 AB45928 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.8 CNCC1COCCO1 AB16898 [0,1,0,1,0,0|0,0,0]=2 252 B9R1.8 COCC1CCCCN1 MB02439 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.8 COCC1CCNCC1 PB18718 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.8 CSCC1CNCCN1 AB36151 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.8 CSC[C@@H]1CNCCN1 AB36159 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.8 CSC[C@H]1CNCCN1 AB36155 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.12 CCCCC1CCCN1 AB12052 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.15 C1CC[C@H]([C@@H](C1)C#N)O AB03956 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.15 C1CC[C@H]([C@@H](C1)CN)N AB29959 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [0,1,0,1,0,0|1,0,0]=3 261 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [0,1,0,1,0,0|1,0,0]=3 263 B9R1.15 C1CC[C@H]([C@H](C1)CN)N AB29958 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [0,1,0,1,0,0|1,0,0]=3 265 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O PB38822 [0,1,0,1,0,0|1,0,0]=3 267 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O PB37859 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.15 C1CNC[C@@H]([C@H]1CO)O PB38900 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.15 C1CNC[C@H]([C@@H]1CN)O PB36505 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.15 CCC1COCCC1=O AB75455 [0,1,0,1,0,0|0,0,1]=3 272 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.15 COC1COCCC1=O PB17702 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.15 CO[C@@H]1COCC[C@H]1N PB16870 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.15 CO[C@H]1COCC[C@H]1N PB22953 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.22 CN1C[C@@H](C[C@H]1CO)O CB11642 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.33 CN1CCCC1CCN AB00295 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.33 CN1CCC[C@@H]1CCN PB32997 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.33 CN1CCC[C@H]1CCN PB31004 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.48 CN1CCCCC(C1)N MB07245 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.49 CN1CCCC(CC1)O PB20925 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB11831 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB12067 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.14 CCN1CCCC1CN PB19842 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.89 COC1CCCNCC1 PB16681 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.1 C1CC(CCC1CO)O CB11469 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.1 C1[C@@H](CC[C@@H](C1)N)CO PB25585 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.1 C1[C@@H](CC[C@H](C1)N)CO PB15013 [0,1,0,1,0,0|1,0,0]=3 296 B9R1.1 CN1CCC(CC1)CO PB30760 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.1 C[C@@H]1CC[C@H](CN1)CO PB27191 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.11 C1COCC1C(CO)N AB20282 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.21 C1CC(OC1CO)CO CB10715 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.118 C1CC(CNC1)(CO)O PB39138 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.118 C1CNCCC1(CO)F PB28680 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.118 C1CNCCC1(CO)O PB28497 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.118 C1COCCC1(CO)F PB21247 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.118 C1COCCC1(CO)N PB27667 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.118 C1CSCCC1(CO)N AB20273 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.118 CC1(CCCNC1)CO PB19791 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.118 CC1(CCCNC1)CO PB29598 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.118 CC1(CCNCC1)CO PB29757 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.118 CC1(CCOCC1)CO PB31694 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.6 C1CCNC(C1)C(F)F AB85531 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.6 C1COC(CN1)C(F)F AB85536 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.6 C1COCC(N1)C(F)F AB85533 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.6 CC(C)C1CCCCN1 AB12062 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.6 CC(C)C1CNCCN1 AB36138 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.6 CC(C)C1CNCCO1 AB70519 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.6 CC(C)[C@@H]1CNCCN1 AB36142 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.6 CC(C)[C@H]1CNCCN1 AB36140 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB42780 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB49850 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.40 CC1(CNCCC1O)C PB16311 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.40 CC1CCNCC1(F)F PB21524 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.148 CC1(CCCNCC1)O PB34852 [0,1,0,1,0,0|2,0,0]=4 331 B9R2.49 C1CC2COC1CN2 PB37406 [0,0,0,2,0,0|1,0,0]=3 332 B9R2.50 C1CC2C(CN2)NC1 PB27213 [0,0,0,2,0,0|2,0,0]=4 333 B9R2.50 C1CN2C1CNCC2 PB30360 [0,0,0,2,0,0|2,0,0]=4 334 B9R2.53 C1C2CNCC1C2O PB27312 [0,0,0,2,0,0|2,0,0]=4 335 B9R2.56 C1C2C1(CNC2)CO PB36206 [0,0,0,2,0,0|2,0,0]=4 336 B9R2.65 C1[C@@H]2[C@@H]([C@H]2CO)CN1 PB13342 [0,0,0,2,0,0|2,0,0]=4 337 B9R2.68 C1CC2COCC1N2 PB11357 [0,0,0,2,0,0|1,0,0]=3 338 B9R2.68 C1CN2CCNC1C2 PB36685 [0,0,0,2,0,0|2,0,0]=4 339 B9R2.68 C1CN2CCN[C@@H]1C2 PB33776 [0,0,0,2,0,0|2,0,0]=4 340 B9R2.68 C1CN2CCN[C@H]1C2 PB35788 [0,0,0,2,0,0|2,0,0]=4 341 B9R2.68 C1C[C@@H]2CC[C@H](C1)N2 PB15162 [0,0,0,2,0,0|2,0,0]=4 342 B9R2.68 C1C[C@H]2CNC[C@@H]1O2 PB19030 [0,0,0,2,0,0|1,0,0]=3 343 B9R2.70 C1[C@H]2[C@@H]1[C@H](NC2)CO PB13645 [0,0,0,2,0,0|1,0,0]=3 344 B9R2.174 C1CC12CNCCN2 PB13066 [0,0,0,2,0,0|2,0,0]=4 345 B9R2.174 C1CC12CNCCN2 PB33612 [0,0,0,2,0,0|2,0,0]=4 346 B9R2.6 CC12CCNCC1C2 PB24469 [0,0,0,2,0,0|2,0,0]=4 347 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O PB36484 [0,0,0,2,0,0|2,0,0]=4 348 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O PB35089 [0,0,0,2,0,0|2,0,0]=4 349 B9R2.3 C1CC2CCNC2C1 MB13581 [0,0,0,2,0,0|2,0,0]=4 350 B9R2.3 C1CC2CNCC2C1 AB06909 [0,0,0,2,0,0|2,0,0]=4 351 B9R2.3 C1COC2C1CNC2 PB24169 [0,0,0,2,0,0|1,0,0]=3 352 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 PB16219 [0,0,0,2,0,0|2,0,0]=4 353 B9R2.3 C1[C@@H]2COC[C@@H]2CN1 AB70847 [0,0,0,2,0,0|2,0,0]=4 354 B9R2.173 C1CC2(C1)CCCN2 PB13614 [0,0,0,2,0,0|2,0,0]=4 355 B9R2.173 C1CC2(CNC2)OC1 PB18332 [0,0,0,2,0,0|2,0,0]=4 356 B9R2.173 C1CCC2(C1)CCN2 PB12596 [0,0,0,2,0,0|2,0,0]=4 357 B9R2.173 C1CNCC12CCO2 PB16773 [0,0,0,2,0,0|2,0,0]=4 358 B9R2.173 C1CNCC12CCO2 PB38333 [0,0,0,2,0,0|2,0,0]=4 359 B9R2.5 C1CC12CNC[C@H]2N PB11901 [0,0,0,2,0,0|2,0,0]=4