0 B6R0.6 CCCNCCC AB02251 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 C(CC#N)CN AB52761 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.3 C[C@H](CO)OCOC AB53701 [0,1,0,0,0,0|3,0,0]=4 3 B7R0.4 B(CCCCC)(O)O AB08098 [0,1,0,0,0,0|3,0,0]=4 4 B7R1.1 C1CC(NC1)C#N PB19916 [0,0,0,1,0,0|2,0,1]=4 5 B7R1.1 C1CC(OC1)CI AB24846 [0,0,0,1,0,0|2,0,0]=3 6 B7R1.1 C1CC(OC1)CN AB00408 [0,0,0,1,0,0|2,0,0]=3 7 B7R1.1 C1CCC(C1)CBr AB50196 [0,0,0,1,0,0|3,0,0]=4 8 B7R1.1 C1CCC(C1)CI AB15507 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.1 C1CCC(C1)CN AB17884 [0,0,0,1,0,0|3,0,0]=4 10 B7R1.1 C1CNCC1CO PB15896 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 C1CNCC1CO PB31387 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.1 C1CNC[C@H]1CO PB31350 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.1 C1CNC[C@H]1CO PB32765 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.1 C1COCC1CO PB30586 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.1 C1COC[C@@H]1CO PB30186 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.1 C1COC[C@H]1CO PB34870 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.1 C1C[C@H](NC1)C#N PB29383 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.1 CCC1CCCN1 AB12042 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,1,0,0|1,1,0]=3 32 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,1,0,0|0,0,2]=3 40 B7R1.3 C1COC(CN1)O CB11808 [0,0,0,1,0,0|0,0,0]=1 41 B7R1.3 C1COCCC1O PB11583 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,1,0,0|1,0,0]=2 45 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,1,0,0|1,0,0]=2 48 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,1,0,0|1,0,0]=2 49 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.3 CC1CNCCO1 PB23610 [0,0,0,1,0,0|1,0,0]=2 51 B7R1.3 CC1COCCN1 AB49614 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,0,1,0,0|1,0,0]=2 54 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,0,1,0,0|1,0,0]=2 59 B7R1.3 C[C@H]1COCCN1 AB16412 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.4 C1[C@@H]([C@H](CN1)F)F PB37373 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,0,0,1,0,0|0,0,0]=1 66 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,0,0,1,0,0|0,0,0]=1 70 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.4 C1[C@H]([C@H](CN1)F)F PB36231 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,0,0,1,0,0|0,0,0]=1 73 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.6 C1C(CO1)CCO PB15326 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.6 C1CC(C1)CCN PB23748 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.6 C1CN(C1)CCCl PB37452 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.7 C1CC1OCCCl AB18070 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.8 C1CC(=O)C1CO PB37542 [0,0,0,1,0,0|1,0,2]=4 79 B4R0.2 C(CN)CCl AB06220 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|0,0,2]=4 81 B6R0.1 CCOC(=N)CO AB60920 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.1 COCC(CO)N AB24949 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.7 B(CCCCCC)(O)O AB08083 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.21 C(CO)NCC(F)(F)F AB60683 [0,2,0,0,0,0|1,0,0]=3 85 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,1,0,0|1,0,1]=4 86 B6R1.2 C1CNCC1=O PB21807 [1,0,0,1,0,0|0,0,2]=4 87 B6R1.2 C1CNCC1F AB27153 [1,0,0,1,0,0|1,0,0]=3 88 B6R1.2 C1CNCC1F PB27633 [1,0,0,1,0,0|1,0,0]=3 89 B6R1.2 C1CNCC1O PB24775 [1,0,0,1,0,0|0,0,0]=2 90 B6R1.2 C1CNC[C@@H]1F AB27158 [1,0,0,1,0,0|1,0,0]=3 91 B6R1.2 C1CNC[C@@H]1F PB23386 [1,0,0,1,0,0|1,0,0]=3 92 B6R1.2 C1CNC[C@@H]1N AB02820 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.2 C1CNC[C@@H]1O PB17129 [1,0,0,1,0,0|0,0,0]=2 94 B6R1.2 C1CNC[C@@H]1O PB18456 [1,0,0,1,0,0|0,0,0]=2 95 B6R1.2 C1CNC[C@H]1F AB27154 [1,0,0,1,0,0|1,0,0]=3 96 B6R1.2 C1CNC[C@H]1F PB20102 [1,0,0,1,0,0|1,0,0]=3 97 B6R1.2 C1CNC[C@H]1N AB02823 [1,0,0,1,0,0|1,0,0]=3 98 B6R1.2 C1CNC[C@H]1O PB30638 [1,0,0,1,0,0|0,0,0]=2 99 B6R1.2 C1CNC[C@H]1O PB32171 [1,0,0,1,0,0|0,0,0]=2 100 B6R1.2 C1COCC1Br PB20333 [1,0,0,1,0,0|2,0,0]=4 101 B6R1.2 C1COCC1I PB14773 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.2 C1COCC1N PB27801 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.2 C1COCC1O PB24525 [1,0,0,1,0,0|1,0,0]=3 104 B6R1.2 C1COC[C@@H]1I PB34863 [1,0,0,1,0,0|2,0,0]=4 105 B6R1.2 C1COC[C@@H]1N PB10514 [1,0,0,1,0,0|2,0,0]=4 106 B6R1.2 C1COC[C@@H]1O PB17096 [1,0,0,1,0,0|1,0,0]=3 107 B6R1.2 C1COC[C@H]1I PB22839 [1,0,0,1,0,0|2,0,0]=4 108 B6R1.2 C1COC[C@H]1N PB18852 [1,0,0,1,0,0|2,0,0]=4 109 B6R1.2 C1COC[C@H]1O PB25950 [1,0,0,1,0,0|1,0,0]=3 110 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.2 CC1CCCN1 AB44503 [1,0,0,1,0,0|1,0,0]=3 112 B6R1.2 CC1CCNC1 AB41901 [1,0,0,1,0,0|1,0,0]=3 113 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,1,0,0|1,0,0]=3 114 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,1,0,0|1,0,0]=3 115 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,1,0,0|1,0,0]=3 116 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,1,0,0|1,0,0]=3 117 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,1,0,0|1,0,0]=3 118 B6R1.3 C1CC1CCN AB23437 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.3 C1CC1CCN PB11093 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.3 C1CC1CCO PB24555 [1,0,0,1,0,0|1,0,0]=3 121 B6R1.4 CC1C(CN1)O PB39176 [1,0,0,1,0,0|0,0,0]=2 122 B6R1.6 C1C(CN1)CO PB34326 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.6 C1C(CO1)CO PB28641 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.6 C1CC(C1)CN PB27388 [1,0,0,1,0,0|2,0,0]=4 125 B6R1.6 C1CNC1CN PB33610 [1,0,0,1,0,0|1,0,0]=3 126 B6R1.6 C1CNC1CO PB21145 [1,0,0,1,0,0|0,0,0]=2 127 B6R1.6 C1CN[C@H]1CO PB13255 [1,0,0,1,0,0|0,0,0]=2 128 B6R1.6 C1COC1CBr PB10565 [1,0,0,1,0,0|1,0,0]=3 129 B6R1.6 C1COC1CI PB32950 [1,0,0,1,0,0|1,0,0]=3 130 B6R1.6 C1COC1CN PB12865 [1,0,0,1,0,0|1,0,0]=3 131 B6R1.6 C1COC1CO PB20918 [1,0,0,1,0,0|0,0,0]=2 132 B8R1.2 C#CC1CCCNC1 PB26666 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.2 C#CC1COCCO1 AB73245 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.2 C1CC(CNC1)C#N AB09048 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.2 C1CC(CNC1)C#N PB31344 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.2 C1CC(CNC1)CN AB17390 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.2 C1CC(CNC1)CO PB21599 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.2 C1CC(COC1)CBr PB14565 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.2 C1CC(COC1)CN PB23481 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.2 C1CC(COC1)CO PB12514 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.2 C1CCOC(C1)C=O MB05934 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.2 C1CCOC(C1)CBr MB00206 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.2 C1CCOC(C1)CN AB28292 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.2 C1CCOC(C1)CO AB00784 [0,1,0,1,0,0|1,0,0]=3 145 B8R1.2 C1CNCCC1CO PB10118 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.2 C1COC(CN1)C#N MB01840 [0,1,0,1,0,0|1,0,0]=3 147 B8R1.2 C1COC(CN1)CN PB15765 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.2 C1COC(CO1)CCl AB10617 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.2 C1COC(CO1)CN AB10620 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.2 C1COCC(N1)C#N AB53762 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.2 C1COCC(N1)CO AB17137 [0,1,0,1,0,0|0,0,0]=2 152 B8R1.2 C1COCCC1CO PB18487 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.2 C1COC[C@@H](N1)CN AB71789 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.2 C1COC[C@@H](N1)CO AB29968 [0,1,0,1,0,0|0,0,0]=2 155 B8R1.2 C1CSCCC1CO PB28111 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.2 C1C[C@@H](CNC1)C#N PB37391 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.2 C1C[C@H](CNC1)C#N PB37352 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.2 CCC1CNCCN1 AB13949 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.2 CCC1CNCCO1 AB49621 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.2 CCC1COCCN1 AB49617 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.2 COC1CCCNC1 PB14414 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.5 C1CNCC(C1=O)F PB20587 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.5 C1CNC[C@H]([C@@H]1F)F PB37354 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.5 C1CNC[C@H]([C@H]1F)F PB38218 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.5 CC1C(NCCN1)C AB36996 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.5 CC1C(OCCN1)C AB72725 [0,1,0,1,0,0|1,0,0]=3 184 B8R1.5 CC1CCNCC1O PB36981 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.5 C[C@@H]1[C@H](NCCN1)C AB36998 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,1,0,1,0,0|1,0,0]=3 191 B8R1.5 C[C@H]1[C@@H](NCCN1)C AB36997 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.8 C1CC(NC1)CCO CB10162 [0,1,0,1,0,0|1,0,0]=3 193 B8R1.8 C1CC(NC1)CCO PB35354 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.8 C1CC(OC1)CC#N MB02666 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.8 C1CC(OC1)CC=O AB76318 [0,1,0,1,0,0|1,0,1]=4 196 B8R1.8 C1CC(OC1)CCI AB76593 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.8 C1CC(OC1)CCN AB30605 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.8 C1CCC(C1)CON CB11464 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.8 C1CNCC1CCO PB20322 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.8 C1COCC1CCI AB75456 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.8 C1COCC1CCN AB45457 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.8 CCCC1CCCN1 AB12028 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,1,0,1,0,0|1,0,0]=3 204 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.11 CN1CCC[C@@H]1CN PB21275 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.11 CN1CCC[C@H]1CN PB34570 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.11 CO[C@@H]1CNC[C@H]1F PB38222 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.11 CO[C@H]1CNC[C@@H]1O PB22508 [0,1,0,1,0,0|0,0,0]=2 211 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.22 C1CC(CCNC1)F PB33307 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.22 C1CC(CCNC1)O PB18652 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.22 C1CC(CCOC1)N AB70734 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.22 C1CCNCC(C1)N AB11528 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.22 C1CNCCNC1=O AB07054 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.22 CC1CCNCCN1 PB17623 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.36 COCCNC1CC1 MB07709 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.3 C1C(OCC(O1)O)O PB11588 [0,1,0,1,0,0|1,0,0]=3 224 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.3 CC1CNC(CO1)C AB55657 [0,1,0,1,0,0|1,0,0]=3 230 B8R1.3 C[C@@H]1CN[C@@H](CN1)C AB48053 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.3 C[C@@H]1CN[C@H](CN1)C AB02818 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.52 CC1(CCCO1)CN PB14687 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.52 CC1(OCCO1)CN AB61528 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.52 C[C@@]1(CCCN1)CO PB37364 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.52 C[C@]1(CCCN1)CO PB35769 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.4 CC1CC(CCO1)O PB22789 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.4 CN1CCCC(C1)N PB12415 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.4 CN1CCCC(C1)O PB17042 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.4 CN1CCC[C@H](C1)N PB33333 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.4 C[C@@H]1CNC[C@@H](N1)C PB23510 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.4 C[C@@H]1CNC[C@H](N1)C AB48105 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.4 C[C@H]1CNC[C@@H](N1)C AB48104 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.7 C1CC(NC1)C(F)F AB85539 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.27 C1C(C1(F)F)CCO AB72363 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.48 C1CC(C1CO)(F)F PB38589 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.72 C1CC(CNC1)(F)F PB23351 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.72 CC1(CCCNC1)O PB32801 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.72 CC1(CNCCN1)C AB29948 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.72 CC1(CNCCO1)C AB51044 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.37 C1CC1C(CCO)N AB14427 [0,1,0,1,0,0|2,0,0]=4 264 B8R2.22 C1CC2C1CNC2 PB22724 [0,0,0,2,0,0|2,0,0]=4 265 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [0,0,0,2,0,0|2,0,0]=4 266 B8R2.34 C1[C@@H]2CN[C@H]1CN2 AB62663 [0,0,0,2,0,0|2,0,0]=4 267 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [0,0,0,2,0,0|1,0,0]=3 268 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [0,0,0,2,0,0|1,0,0]=3 269 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [0,0,0,2,0,0|1,0,0]=3 270 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [0,0,0,2,0,0|1,0,0]=3 271 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [0,0,0,2,0,0|1,0,0]=3 272 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [0,0,0,2,0,0|2,0,0]=4 273 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [0,0,0,2,0,0|2,0,0]=4 274 B8R2.55 C1CC2(CC2)NC1 PB38198 [0,0,0,2,0,0|2,0,0]=4 275 B8R2.25 C1CNCC2C1C2 PB26945 [0,0,0,2,0,0|2,0,0]=4