0 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,1,0,0,0,0|1,0,2]=4 1 B9R0.2 B(\C=C\CCCCC)(O)O AB08058 [0,1,0,0,0,0|1,0,2]=4 2 B9R0.18 C(CC(=O)CCCCl)CCl AB01251 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.45 C(COCCOCCO)N AB31123 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.45 CCCCCCNCCN AB05874 [0,1,0,0,0,0|1,0,2]=4 5 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,0,0,1,0,0|1,0,2]=4 6 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,0,0,1,0,0|1,0,2]=4 7 B9R1.8 C1CCC(=CC1)CC#N AB00143 [0,0,0,1,0,0|1,0,1]=3 8 B9R1.8 C1CCC(CC1)CCN AB02346 [0,0,0,1,0,0|1,0,2]=4 9 B9R1.8 C1CCC(CC1)CCN AB09885 [0,0,0,1,0,0|1,0,2]=4 10 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [0,0,0,1,0,0|1,0,1]=3 11 B9R1.8 C1CCOC(C1)CCN AB28415 [0,0,0,1,0,0|1,0,2]=4 12 B9R1.8 C1COCCC1CCO PB27428 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.8 CCCC1CNCCO1 AB70522 [0,0,0,1,0,0|1,0,1]=3 14 B9R1.8 CCCC1COCCN1 AB53847 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.8 CNCC1CCCCO1 AB45928 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.8 CNCC1COCCO1 AB16898 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.12 CCCCC1CCCN1 AB12052 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB11831 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB12067 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.15 C1C=CC[C@@H]([C@@H]1CN)N AB30948 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.15 C1C=CC[C@H]([C@@H]1CN)N AB30951 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.15 C1C=CC[C@H]([C@@H]1CO)N AB30952 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.15 C1C=CC[C@H]([C@@H]1CO)N AB49838 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.15 C1C=CC[C@H]([C@H]1CO)N AB03899 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O PB38822 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O PB37859 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.15 C1CNC[C@@H]([C@H]1CO)O PB38900 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.15 C1CNC[C@H]([C@@H]1CN)O PB36505 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [0,0,0,1,0,0|1,0,2]=4 38 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.7 B(CCCCCC)(O)O AB08083 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.7 B(\C=C\CCCC)(O)O AB08038 [1,1,0,0,0,0|1,0,0]=3 41 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.2 C1CC(CNC1)CO PB21599 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.2 C1CC(COC1)CO PB12514 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.2 C1CCC(=CC1)CBr PB28658 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.2 C1CCOC(C1)CBr MB00206 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.2 C1CCOC(C1)CN AB28292 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.2 C1CCOC(C1)CO AB00784 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.2 C1CNCCC1CO PB10118 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.2 C1COC(CN1)CN PB15765 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.2 C1COC(CO1)CCl AB10617 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.2 C1COC(CO1)CN AB10620 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 C1COCC(N1)CO AB17137 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.2 C1COCCC1CO PB18487 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.2 C1COC[C@@H](N1)CO AB29968 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.2 C1CSCCC1CO PB28111 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.2 CCC1CNCCN1 AB13949 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.2 CCC1CNCCO1 AB49621 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.2 CCC1COCCN1 AB49617 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.2 COC1=CCOCC1 PB24535 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.5 CC1CCNCC1O PB36981 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.8 C1CC(NC1)CCO CB10162 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.8 C1CC(NC1)CCO PB35354 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.8 C1CC(OC1)CCI AB76593 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.8 C1CC(OC1)CCN AB30605 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.8 C1CNCC1CCO PB20322 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.11 CN1CCC[C@@H]1CO PB17412 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.11 CO[C@H]1CNC[C@@H]1O PB22508 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.22 C1CC(CCNC1)O PB18652 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.22 C1CCNCC(C1)N AB11528 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.22 CC1CCNCCN1 PB17623 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB30956 [0,1,0,1,0,0|0,0,2]=4 89 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB49845 [0,1,0,1,0,0|0,0,2]=4 90 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.186 CCCCOC(=O)C1CC1 AB14228 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.17 CNCCC1CCCCO1 AB28412 [0,1,0,1,0,0|0,0,2]=4 93 B10R1.1 C1CN(CCC1O)CCO MB05042 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.27 CC(CN1CCCC1)CO AB43256 [0,1,0,1,0,0|1,0,1]=4 95 B10R2.61 C1CC2CC(C(C1)N2)O PB38343 [0,0,0,2,0,0|1,0,1]=4 96 B10R2.61 C1C[C@@H]2C[C@@H]([C@H](C1)N2)O PB39013 [0,0,0,2,0,0|1,0,1]=4 97 B10R2.61 C1C[C@@H]2C[C@H]([C@H](C1)N2)O PB39032 [0,0,0,2,0,0|1,0,1]=4 98 B10R2.6 C1CC1C2CNCCO2 AB71704 [0,0,0,2,0,0|1,0,1]=4 99 B10R2.7 C1CCC2=NCC=C2C1 CB10084 [0,0,0,2,0,0|1,0,1]=4 100 B10R2.7 C1CNC[C@@H]2[C@H]1COC2 AB84907 [0,0,0,2,0,0|1,0,1]=4 101 B10R2.484 C1CC2(C1)CNCCO2 PB16793 [0,0,0,2,0,0|1,0,1]=4 102 B10R2.32 C1C[C@H]([C@@H]2[C@H]1CNC2)O PB35961 [0,0,0,2,0,0|1,0,1]=4 103 B10R2.15 C1CC12CCNCC2O PB21076 [0,0,0,2,0,0|1,0,1]=4 104 B10R2.15 C1CC12CCNCC2O PB36531 [0,0,0,2,0,0|1,0,1]=4 105 B10R2.15 C1CC12CCNC[C@@H]2O PB35894 [0,0,0,2,0,0|1,0,1]=4 106 B10R2.15 C1CC12CCNC[C@@H]2O PB36498 [0,0,0,2,0,0|1,0,1]=4 107 B10R2.15 C1CC12CCNC[C@H]2O PB35880 [0,0,0,2,0,0|1,0,1]=4 108 B10R2.15 C1CC12CCNC[C@H]2O PB38367 [0,0,0,2,0,0|1,0,1]=4 109 B10R2.41 C1CC2CNCC1C2O PB37180 [0,0,0,2,0,0|1,0,1]=4