0 B9R0.45 C#CCOCCOCCO AB02237 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 C(COCCOCCO)N AB31123 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.45 CCCCCCNCCN AB05874 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.4 B(\C=C\CCCCCC)(O)O AB10827 [0,1,0,0,0,0|1,0,2]=4 4 B10R1.4 CCCC1CCNCC1=O AB59855 [0,0,0,1,0,0|1,0,2]=4 5 B10R1.4 CCCC1COCCC1=O AB76451 [0,0,0,1,0,0|1,0,2]=4 6 B10R1.17 C1CCC(CC1)CCCN AB02348 [0,0,0,1,0,0|1,0,0]=2 7 B10R1.17 C1COCCC1CCCN AB64018 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.17 C1COCCN1CCCCl AB01783 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.17 CCCCC1CCNCC1 AB21590 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.17 CCCOC1CCNCC1 AB23647 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.17 CNCCC1CCCCO1 AB28412 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.17 COCCC1CCNCC1 PB28136 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.17 CSCCC1CNCCN1 AB36160 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.17 CSCC[C@@H]1CNCCN1 AB36163 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.17 CSCC[C@H]1CNCCN1 AB36162 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.20 CCC1C(NCCN1)CC AB37000 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.20 CC[C@@H]1[C@H](NCCN1)CC AB37003 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.20 CC[C@H]1[C@@H](NCCN1)CC AB37004 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.29 CCCCN1CCCC1=O AB01298 [0,0,0,1,0,0|1,0,2]=4 20 B10R1.85 C1CCCC(CC1)CCN AB18476 [0,0,0,1,0,0|1,0,0]=2 21 B9R0.2 B(CCCCCCC)(O)O AB23085 [1,1,0,0,0,0|1,0,0]=3 22 B11R0.3 CCCCCCCCNCCN AB15567 [0,2,0,0,0,0|1,0,0]=3 23 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [1,0,0,1,0,0|1,0,0]=3 24 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [1,0,0,1,0,0|1,0,0]=3 25 B9R1.8 C1CC(COC1)CCN MB05843 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.8 C1CCC(CC1)CC#N AB02345 [1,0,0,1,0,0|1,0,1]=4 27 B9R1.8 C1CCC(CC1)CC=O MB02401 [1,0,0,1,0,0|0,0,2]=4 28 B9R1.8 C1CCC(CC1)CCN AB02346 [1,0,0,1,0,0|1,0,0]=3 29 B9R1.8 C1CCC(CC1)CCN AB09885 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.8 C1CCC(CC1)CNN AB23600 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.8 C1CCOC(C1)CC#N MB05835 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.8 C1CCOC(C1)CCN AB28415 [1,0,0,1,0,0|1,0,0]=3 34 B9R1.8 C1COCCC1CCBr AB52526 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.8 C1COCCC1CCI AB69545 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.8 C1COCCC1CCN AB14269 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.8 C1COCCC1CCN PB34023 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.8 C1COCCC1CCO PB27428 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.8 CCCC1CNCCO1 AB70522 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.8 CCCC1COCCN1 AB53847 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.8 CCOC1CCNCC1 AB30382 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.8 CNCC1CCCCO1 AB45928 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.8 CNCC1CCNCC1 AB28325 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.8 CNCC1CCOCC1 PB32464 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.8 CNCC1COCCO1 AB16898 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.8 COCC1CCCCN1 MB02439 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.8 COCC1CCNCC1 PB18718 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.12 CCCCC1CCCN1 AB12052 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB11831 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB12067 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.14 CCN1CCCC1CN PB19842 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.15 C1CC[C@H]([C@@H](C1)C#N)O AB03956 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.15 C1CC[C@H]([C@@H](C1)CN)N AB29959 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [1,0,0,1,0,0|1,0,0]=3 59 B9R1.15 C1CC[C@H]([C@H](C1)CN)N AB29958 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O PB38822 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O PB37859 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.15 C1CNC[C@@H]([C@H]1CO)O PB38900 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.15 C1CNC[C@H]([C@@H]1CN)O PB36505 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.15 CCC1CCCCC1=O AB02693 [1,0,0,1,0,0|0,0,2]=4 67 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.33 CN1CCCC1CCN AB00295 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.33 CN1CCC[C@@H]1CCN PB32997 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.33 CN1CCC[C@H]1CCN PB31004 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.89 COC1CCCNCC1 PB16681 [1,0,0,1,0,0|2,0,0]=4 75 B11R1.16 C1CCC(CC1)C(CCO)N AB23294 [0,1,0,1,0,0|0,0,0]=2 76 B11R1.30 CCOC(=O)CC1CCCO1 AB02367 [0,1,0,1,0,0|1,0,1]=4 77 B11R1.117 C1CCCC(CCC1)CCN AB18478 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.180 CCCCCN1CCCC1=O AB51337 [0,1,0,1,0,0|0,0,2]=4 79 B11R1.53 CCN1CCCCC1C(=O)O AB13803 [0,1,0,1,0,0|1,0,1]=4 80 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O AB44866 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O AB45066 [0,1,0,1,0,0|1,0,1]=4 82 B11R1.17 COCCC1C(CCCN1)O AB43245 [0,1,0,1,0,0|1,0,0]=3 83 B11R1.28 C1CCC(CC1)CCCCN AB01262 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.28 C1CCN(CC1)CCC[Mg]Cl AB60816 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.28 C1CCOC(C1)OCCCO AB76677 [0,1,0,1,0,0|1,0,0]=3 86 B11R1.28 C1CNCCC1CCCCBr AB13958 [0,1,0,1,0,0|1,0,0]=3 87 B11R1.203 C1CCCN(CC1)CCCN AB01303 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.1 CN1CCN(CC1)CCCO AB00992 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB00862 [0,1,0,1,0,0|0,0,0]=2 90 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB03388 [0,1,0,1,0,0|0,0,0]=2 91 B11R1.40 CC(CN1CCCCC1)CO AB43255 [0,1,0,1,0,0|1,0,0]=3 92 B11R1.54 C[C@@]1(CCCC[C@H]1CO)NC AB42778 [0,1,0,1,0,0|1,0,0]=3 93 B11R1.54 C[C@@]1(CCCC[C@H]1CO)NC AB49847 [0,1,0,1,0,0|1,0,0]=3 94 B11R2.20 C1CCC2C(C1)NCCN2 AB03307 [0,0,0,2,0,0|2,0,0]=4 95 B11R2.20 C1CC[C@@H]2[C@@H](C1)NCCN2 AB37011 [0,0,0,2,0,0|2,0,0]=4 96 B11R2.20 C1CC[C@H]2[C@H](C1)NCCN2 AB37010 [0,0,0,2,0,0|2,0,0]=4 97 B11R2.20 C1CN2CCOC[C@@H]2CN1 PB38283 [0,0,0,2,0,0|2,0,0]=4 98 B11R2.20 C1CNCC2C1CCNC2 AB43609 [0,0,0,2,0,0|2,0,0]=4 99 B11R2.20 C1C[C@@H]2[C@@H](CCCN2)NC1 PB32868 [0,0,0,2,0,0|2,0,0]=4 100 B11R2.20 C1C[C@@H]2[C@@H](CCCN2)NC1 PB33729 [0,0,0,2,0,0|2,0,0]=4 101 B11R2.20 C1C[C@H]2CCNC[C@H]2NC1 PB15533 [0,0,0,2,0,0|2,0,0]=4 102 B11R2.20 C1C[C@H]2CCNC[C@H]2NC1 PB39006 [0,0,0,2,0,0|2,0,0]=4 103 B11R2.20 C1C[C@H]2[C@H](CCCN2)NC1 PB36114 [0,0,0,2,0,0|2,0,0]=4 104 B11R2.120 CN1[C@@H]2CCC[C@H]1[C@@H](C2)O PB19258 [0,0,0,2,0,0|1,0,0]=3 105 B11R2.120 CN1[C@@H]2CCC[C@H]1[C@H](C2)O PB35982 [0,0,0,2,0,0|1,0,0]=3 106 B11R2.248 C1C[C@@H]2C[C@H]1CC2CCN AB18507 [0,0,0,2,0,0|1,0,0]=3 107 B11R2.18 C1CC2CNCCCN2C1 PB17655 [0,0,0,2,0,0|2,0,0]=4 108 B11R2.36 C1CC2CNCC2CC1O PB27156 [0,0,0,2,0,0|1,0,0]=3 109 B11R2.36 C1C[C@@H]2CNC[C@@H]2C[C@@H]1O PB27149 [0,0,0,2,0,0|1,0,0]=3 110 B11R2.36 C1C[C@@H]2CNC[C@@H]2C[C@H]1O PB30280 [0,0,0,2,0,0|1,0,0]=3 111 B11R2.232 C1CC2CNCC1C2CO PB37175 [0,0,0,2,0,0|1,0,0]=3 112 B11R2.1098 C1CC2(CCCN2C1)CN PB24116 [0,0,0,2,0,0|2,0,0]=4 113 B11R2.239 C1CC(C1)C2CNCCN2 AB36976 [0,0,0,2,0,0|2,0,0]=4 114 B11R2.239 C1CC(C1)[C@@H]2CNCCN2 AB36980 [0,0,0,2,0,0|2,0,0]=4 115 B11R2.239 C1CC(C1)[C@H]2CNCCN2 AB36979 [0,0,0,2,0,0|2,0,0]=4 116 B11R2.1261 C1CC2(CCCO2)CNC1 PB18039 [0,0,0,2,0,0|1,0,0]=3 117 B11R2.1261 C1CC2(CCNCC2)OC1 PB25319 [0,0,0,2,0,0|1,0,0]=3 118 B11R2.1261 C1CC2(CCOCC2)NC1 PB31153 [0,0,0,2,0,0|2,0,0]=4 119 B11R2.1261 C1CCC2(C1)CNCCN2 AB29472 [0,0,0,2,0,0|2,0,0]=4 120 B11R2.1261 C1CCC2(C1)CNCCN2 AB36175 [0,0,0,2,0,0|2,0,0]=4 121 B11R2.1261 C1CCC2(CC1)CCNC2 PB15836 [0,0,0,2,0,0|2,0,0]=4 122 B11R2.1261 C1CNCCC12OCCO2 AB00548 [0,0,0,2,0,0|2,0,0]=4 123 B11R2.63 CN1C2CCC(C1CC2)N PB39254 [0,0,0,2,0,0|2,0,0]=4