0 B8R0.7 B(CCCCCC)(O)O AB08083 [1,0,0,0,0,0|2,0,1]=4 1 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,1,0,0,0,0|1,0,0]=2 2 B10R0.108 CCOC(=O)CCC(=O)CBr AB69626 [0,1,0,0,0,0|2,0,1]=4 3 B10R1.1 CN1CCC(CC1)CCN PB26188 [0,0,0,1,0,0|3,0,0]=4 4 B10R1.1 CN1CCC(CC1)CCO PB26877 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.1 CNCC1CCN(CC1)C AB28313 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.1 CSCC1CNC(=O)CN1 AB37228 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.1 CSC[C@@H]1CNC(=O)CN1 AB37233 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.1 CSC[C@H]1CNC(=O)CN1 AB37230 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.15 C1CC(COC1)C(=O)NN PB15327 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.15 C1COCCC1C(=O)NN PB29666 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.15 C1COCCN1C(=O)CBr AB29971 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.15 C1COCCN1C(=O)CO AB44986 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.15 COC(=O)C1CCCOC1 PB29711 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.15 COC(=O)C1CCNCC1 AB04510 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.15 COC(=O)C1CCOCC1 PB10181 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.15 COC(=O)C1CCSCC1 PB17687 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.15 COC(=O)[C@@H]1CCCNC1 PB34398 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.15 COC(=O)[C@@H]1CNCCN1 PB16226 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.15 COC(=O)[C@H]1CCCNC1 PB17641 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.15 COC(=O)[C@H]1CNCCN1 PB16053 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.27 COC(=O)C[C@@H]1CCCN1 AB58450 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB10477 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB11090 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.149 COC(=O)[C@@H]1[C@H](CCN1)O PB37982 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.172 CC[C@@H]1CNC[C@H](N1)CC AB48113 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.172 CC[C@H]1CNC[C@@H](N1)CC AB48109 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.172 CC[C@H]1CNC[C@H](N1)CC AB48116 [0,0,0,1,0,0|2,0,1]=4 28 B7R0.1 CNCCCCC=C CB11323 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.3 COC(=O)CCCO AB65249 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.45 CCCCCCNCCN AB05874 [1,1,0,0,0,0|1,0,0]=3 31 B9R0.4 CCCCC(CC(=O)O)N AB08231 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.8 C1CCC(CC1)CCN AB02346 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.8 C1CCC(CC1)CCN AB09885 [1,0,0,1,0,0|1,0,1]=4 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|2,0,0]=4 39 B9R1.8 CCOC1CCNCC1 AB30382 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.8 CNCC1CCNCC1 AB28325 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.8 CNCC1CCOCC1 PB32464 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.8 COCC1CCNCC1 PB18718 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.12 CCCCC1CCCN1 AB12052 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.14 CCN1CCCC1CN PB19842 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.89 COC1CCCNCC1 PB16681 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.1 C1CC(=O)CCC1C=O AB21200 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.7 CCOC1CCC(=O)N1 AB15019 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.11 COC(=O)C1CCNC1 PB20842 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.11 COC(=O)C1CCOC1 PB14439 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.11 COC(=O)[C@@H]1CCCN1 AB16177 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.11 COC(=O)[C@@H]1CCNC1 PB24127 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.11 COC(=O)[C@@H]1CCOC1 PB21424 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.11 COC(=O)[C@H]1CCNC1 PB24144 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.11 COC(=O)[C@H]1CCOC1 PB21418 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.49 CN1CCCC(=O)CC1 AB42491 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.79 COC(=O)CC1CNC1 PB34937 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.79 COC(=O)CC1COC1 PB11364 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.132 CN1C(CCC1=O)CO MB69102 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.6 C1CC(COC1)C(=O)O PB24847 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.6 C1CNCCC1C(=O)N PB25917 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.6 C1CNCCC1C(=O)O AB00566 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.6 C1COCCC1C(=O)O PB14093 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.6 C1CSCCC1C(=O)O PB25232 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.13 C1CNCC1CC(=O)O PB14239 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.13 C1COCC1CC(=O)O CB10890 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.13 CC(=O)N[C@@H]1CCNC1 PB10078 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.48 CC1CC(=O)NCCN1 PB15399 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.16 C1CCC(CC1)C(CCO)N AB23294 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.16 C1COCCC1C(=O)CC#N PB18218 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.16 CCOC(=O)C1CNCCN1 AB13833 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.16 CCOC(=O)C1CSCCN1 AB03439 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 PB32324 [0,1,0,1,0,0|1,0,0]=3 95 B11R1.16 CCOC(=O)[C@H]1CCCNC1 PB24683 [0,1,0,1,0,0|1,0,0]=3 96 B11R1.16 COCC(=O)N1CCOCC1 AB60707 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.24 CSCCC1CNCC(=O)N1 AB37328 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.24 CSCC[C@@H]1CNCC(=O)N1 AB37334 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.24 CSCC[C@H]1CNCC(=O)N1 AB37332 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.30 CCOC(=O)CC1CCCO1 AB02367 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.30 CCOC(=O)CC1CCNC1 PB11711 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.30 CCOC(=O)CC1CCOC1 AB84902 [0,1,0,1,0,0|1,0,0]=3 103 B11R1.117 C1CCCC(CCC1)CCN AB18478 [0,1,0,1,0,0|1,0,1]=4 104 B11R1.180 CCCCCN1CCCC1=O AB51337 [0,1,0,1,0,0|1,0,0]=3 105 B11R1.199 CCOC(=O)C1C(CCN1)N AB50131 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AB50600 [0,1,0,1,0,0|1,0,0]=3 107 B11R1.289 CCOC(=O)COC1CNC1 MB11429 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.40 CCC(=O)OC1CCNCC1 MB02492 [0,1,0,1,0,0|1,0,0]=3 109 B11R1.40 COC(=O)CC1CCNCC1 AB19927 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.40 COC(=O)CC1CCNCC1 AB50157 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.40 COC(=O)CC1CNCCO1 AB19177 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.40 COC(=O)CC1COCCN1 AB19173 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.40 COC(=O)C[C@@H]1CCCCN1 MB06954 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.40 COC(=O)C[C@H]1CCCCN1 MB06952 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.196 COC(=O)CC(=O)C1CCC1 PB15008 [0,1,0,1,0,0|1,0,1]=4 116 B11R1.222 C[C@H]1[C@H](CCCN1)C(=O)OC AB19340 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.20 CC(C)CC1CNC(=O)CN1 AB37219 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.20 CC(C)C[C@@H]1CNC(=O)CN1 AB37224 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.20 CC(C)C[C@H]1CNC(=O)CN1 AB37220 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O AB23024 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.23 C[C@@H]1C[C@@H](CCN1)C(=O)OC PB36721 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.22 CCC(C)N1CCC(=O)CC1 AB39315 [0,1,0,1,0,0|1,0,0]=3 123 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O PB13872 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N PB17505 [0,1,0,1,0,0|1,0,0]=3 125 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N PB31055 [0,1,0,1,0,0|1,0,0]=3 126 B11R1.22 C[C@@H]1CC[C@@H](CN1)C(=O)OC PB35041 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.82 C1CS(=O)(=O)CCC1CCN PB31765 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.1 CSCCC1CNC(=O)CN1 AB37235 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.1 CSCC[C@@H]1CNC(=O)CN1 AB37241 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.1 CSCC[C@H]1CNC(=O)CN1 AB37238 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.852 COC(=O)C1CCCNCC1 PB28813 [0,1,0,1,0,0|1,0,0]=3 132 B11R1.36 CC(C(=O)N1CCOCC1)Br AB60705 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.878 CC1(CCCNC1)C(=O)OC PB38292 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.878 CC1(CCNCC1)C(=O)OC PB10862 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.878 CC1(CCOCC1)C(=O)OC PB31671 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.878 COC(=O)C1(CCCCC1)N AB50531 [0,1,0,1,0,0|1,0,0]=3 137 B11R1.878 COC(=O)C1(CCOCC1)F PB21117 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.878 COC(=O)C1(CCOCC1)N PB10899 [0,1,0,1,0,0|2,0,0]=4 139 B11R2.34 C1CC1N2CCC(=O)CC2 AB39309 [0,0,0,2,0,0|1,0,0]=3 140 B11R2.36 C1CNC2C1CNC(=O)C2 AB68640 [0,0,0,2,0,0|2,0,0]=4 141 B11R2.106 C1CC2C(=O)NCCN2C1 AB06527 [0,0,0,2,0,0|2,0,0]=4 142 B11R2.106 C1CNC2C1C(=O)NCC2 AB68642 [0,0,0,2,0,0|2,0,0]=4 143 B11R2.106 C1C[C@H]2C(=O)NCCN2C1 AB52679 [0,0,0,2,0,0|2,0,0]=4 144 B11R2.1 C1CC(=O)N2[C@@H]1CNCC2 PB26654 [0,0,0,2,0,0|2,0,0]=4 145 B11R2.1 C1CC(=O)N2[C@H]1CNCC2 PB20584 [0,0,0,2,0,0|2,0,0]=4 146 B11R2.1 C1CNC[C@@H]2[C@H]1CNC2=O PB22670 [0,0,0,2,0,0|2,0,0]=4 147 B11R2.905 COC(=O)[C@H]1[C@H]2[C@@H]1CNC2 PB35921 [0,0,0,2,0,0|2,0,0]=4 148 B11R2.911 COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1 PB35696 [0,0,0,2,0,0|2,0,0]=4 149 B11R2.10 C1CC2C(CC(=O)N2)NC1 AB77336 [0,0,0,2,0,0|2,0,0]=4 150 B11R2.10 C1CNCC2C1CC(=O)N2 AB68649 [0,0,0,2,0,0|2,0,0]=4 151 B11R2.359 C1C[C@@H]2CNC(=O)C[C@H]1N2 AB65742 [0,0,0,2,0,0|2,0,0]=4 152 B11R2.748 C1CNCC12CC(=O)NC2 PB11407 [0,0,0,2,0,0|2,0,0]=4 153 B11R2.63 CN1C2CCC1C(=O)CC2 PB35790 [0,0,0,2,0,0|1,0,0]=3