0 B10R1.18 B(CC1CCCCC1)(O)O AB53934 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 C1CN(CCN1)CC(=O)O AB13768 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 C1CNCCC1CC(=O)N PB30145 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 C1CNCCC1CC(=O)O PB18605 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 C1COC(CN1)CC(=O)O AB17145 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 C1COCC(N1)CC(=O)O PB27599 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 C1COCCC1=CC(=O)O AB18107 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.18 C1COCCC1CC(=O)O PB33952 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.18 C1COC[C@@H](N1)CC(=O)O MB69354 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 C1COC[C@H](N1)CC(=O)O MB69353 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 C1CO[C@@H](CN1)CC(=O)O MB15018 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 C1CO[C@H](CN1)CC(=O)O MB15022 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 C1CSCCN1CC(=O)O AB16490 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.18 CC(=O)CN1CCOCC1 AB48352 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.18 CC(=O)OC1CCCCS1 AB31207 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.18 CC(=O)SC1CCOCC1 AB76313 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.18 CN(C)CC1CCCCN1 MB00319 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.8 C#CCC1CCOCC1 AB85640 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 C#CCN1CCCCC1 AB06369 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 C1CC(COC1)CC#N MB05839 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 C1CC(COC1)CCN MB05843 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 C1CCC(CC1)CC#N AB02345 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 C1CCC(CC1)CC=O MB02401 [1,0,0,0,0,0|0,0,0]=1 28 B9R1.8 C1CCC(CC1)CCN AB02346 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 C1CCC(CC1)CCN AB09885 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 C1CCC(CC1)CNN AB23600 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 C1CCC(CC1)N=C=O AB00329 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.8 C1CCOC(C1)CC#N MB05835 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 C1CCOC(C1)CCN AB28415 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 C1COCCC1CC#N AB21392 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 C1COCCC1CC=O PB20812 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 C1COCCC1CCBr AB52526 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 C1COCCC1CCI AB69545 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 C1COCCC1CCN AB14269 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 C1COCCC1CCN PB34023 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 C1COCCC1CCO PB27428 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.8 C1COCCC1N=C=O AB70499 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 C1CSCCC1CC=O AB14652 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 CNCC1CCCCO1 AB45928 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 CNCC1CCNCC1 AB28325 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 CNCC1CCOCC1 PB32464 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 COCC1CCCCN1 MB02439 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 COCC1CCNCC1 PB18718 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.20 C1C(NCC(=O)N1)CC(=O)O AB61630 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.20 C1CN(CCC1=O)CC(=O)O AB19488 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.20 C1[C@@H](NCC(=O)N1)CC(=O)O AB61635 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.20 C1[C@H](NCC(=O)N1)CC(=O)O AB61634 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.20 CC(=O)CN1CCN(CC1)C AB53851 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.20 CN1CCC(CC1)CC(=O)O PB20330 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.20 CN1CCN(CC1)CC(=O)O AB15444 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.36 C1CC(COC1)C(C(=O)O)N AB18430 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.36 C1CCC(CC1)[C@H](C(=O)O)N AB08456 [0,1,0,0,0,0|0,0,0]=1 58 B11R1.36 C1CNCCC1[C@@H](C(=O)O)N AB21184 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.36 C1COCCC1C(C(=O)O)N PB10222 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.36 CC(=O)N(C)C1CCCNC1 PB13142 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.36 CC(=O)N(C)C1CCNCC1 PB17746 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.36 CC(=O)N(C)[C@@H]1CCCNC1 PB37941 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 PB35891 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB00862 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.40 C1CCC(CC1)C[C@@H](CO)N MB03388 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.40 CC(CN1CCCCC1)CO AB43255 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.40 CCC(=O)OC1CCNCC1 MB02492 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.40 COC(=O)CC1CCNCC1 AB19927 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.40 COC(=O)CC1CCNCC1 AB50157 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.40 COC(=O)CC1CNCCO1 AB19177 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.40 COC(=O)CC1COCCN1 AB19173 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.40 COC(=O)C[C@@H]1CCCCN1 MB06954 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.40 COC(=O)C[C@H]1CCCCN1 MB06952 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.86 C1CN(C(=O)CN1)CC(=O)O AB53394 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.86 C1CNC(=O)C(N1)CC(=O)O AB20812 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.86 C1CNC(=O)[C@@H](N1)CC(=O)O AB61592 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.86 C1CNC(=O)[C@H](N1)CC(=O)O AB61589 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.86 CC(=O)CC1CCCCC1=O AB07998 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.86 CC(=O)CC1COCCC1=O AB84957 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.86 CC1CNCCN1CC(=O)O AB61887 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.86 C[C@@H]1CNCCN1CC(=O)O AB61891 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.86 C[C@H]1CNCCN1CC(=O)O AB61892 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.157 C1C(NC(=O)CN1)CC(=O)O AB61646 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.157 C1CN(CC(=O)N1)CC(=O)O AB25397 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.157 C1[C@@H](NC(=O)CN1)CC(=O)O AB61653 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.157 C1[C@H](NC(=O)CN1)CC(=O)O AB61649 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.157 CC1CN(CCN1)CC(=O)O AB61876 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.157 C[C@@H]1CN(CCN1)CC(=O)O AB61879 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.157 C[C@H]1CN(CCN1)CC(=O)O AB61878 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.509 C1COCCC1CS(=O)(=O)Cl AB69845 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,0,1,0,0,0|1,0,1]=3 92 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,0,1,0,0,0|1,0,0]=2 93 B11R2.10 C1CC2C(CC(=O)N2)NC1 AB77336 [0,0,0,1,0,0|2,0,0]=3 94 B11R2.10 C1CNCC2C1CC(=O)N2 AB68649 [0,0,0,1,0,0|2,0,0]=3 95 B11R2.433 C1[C@H]2CC(=O)CN(C1)CC2 PB29820 [0,0,0,1,0,0|2,0,0]=3 96 B11R2.678 C1C2COCC(N2)CC1=O PB16886 [0,0,0,1,0,0|3,0,0]=4 97 B11R2.678 C1C2CSCC(N2)CC1=O PB35186 [0,0,0,1,0,0|3,0,0]=4 98 B11R2.678 C1C[C@@H]2CC(=O)C[C@H](C1)N2 PB14791 [0,0,0,1,0,0|2,0,0]=3 99 B11R2.1824 C1C2CNCC1C2C(=O)O PB36687 [0,0,0,1,0,0|1,0,0]=2 100 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,0,0,0,1,0|1,0,1]=3 101 B9R1.6 B(C1CCOCC1)(O)O AB32598 [0,0,0,0,1,0|2,0,1]=4 102 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [0,0,0,0,1,0|2,0,0]=3 103 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,0,0,0,1,0|1,0,0]=2 104 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,0,0,0,1,0|1,0,0]=2 105 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,0,0,0,1,0|2,0,0]=3 106 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,0,0,0,1,0|1,0,0]=2 107 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,0,0,0,1,0|1,0,0]=2 108 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [0,0,0,0,1,0|2,0,0]=3 109 B9R1.6 C1CNCCC1C(=N)N AB22053 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.6 C1CNCCC1C(=O)N PB25917 [0,0,0,0,1,0|2,0,0]=3 111 B9R1.6 C1CNCCC1C(=O)O AB00566 [0,0,0,0,1,0|1,0,0]=2 112 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [0,0,0,0,1,0|2,0,0]=3 113 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [0,0,0,0,1,0|2,0,0]=3 115 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,0,0,0,1,0|2,0,0]=3 116 B9R1.6 C1COCC(N1)C(=O)O PB12912 [0,0,0,0,1,0|2,0,0]=3 117 B9R1.6 C1COCCC1C(=N)N PB32880 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.6 C1COCCC1C(=O)O PB14093 [0,0,0,0,1,0|1,0,0]=2 119 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [0,0,0,0,1,0|2,0,0]=3 120 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [0,0,0,0,1,0|2,0,0]=3 121 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,0,0,0,1,0|2,0,0]=3 122 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,0,0,0,1,0|2,0,0]=3 123 B9R1.6 C1CSCCC1C(=O)O PB25232 [0,0,0,0,1,0|1,0,0]=2 124 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [0,0,0,0,1,0|2,0,0]=3 125 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [0,0,0,0,1,0|2,0,0]=3 126 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,0,0,0,1,0|0,0,2]=3 127 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [0,0,0,0,1,0|2,0,0]=3 128 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [0,0,0,0,1,0|2,0,0]=3 129 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,0,0,0,1,0|1,0,0]=2 130 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,0,0,0,1,0|0,0,2]=3 131 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [0,0,0,0,1,0|2,0,0]=3 132 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [0,0,0,0,1,0|2,0,0]=3 133 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,0,0,0,1,0|1,0,0]=2 134 B9R1.13 C1CNCC1CC(=O)O PB14239 [0,0,0,0,1,0|1,0,0]=2 135 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [0,0,0,0,1,0|1,0,0]=2 136 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [0,0,0,0,1,0|1,0,0]=2 137 B9R1.13 C1COCC1CC(=O)O CB10890 [0,0,0,0,1,0|1,0,0]=2 138 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [0,0,0,0,1,0|1,0,0]=2 139 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [0,0,0,0,1,0|1,0,0]=2 140 B9R1.13 CC(=O)N[C@@H]1CCNC1 PB10078 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.91 C1CN(CCN1)CCC(=O)O AB13782 [0,0,0,0,0,1|2,0,0]=3 142 B11R1.91 C1CNC(CN1)CCC(=O)O AB22220 [0,0,0,0,0,1|2,0,0]=3 143 B11R1.91 C1CNCCC1CCC(=O)N MB05160 [0,0,0,0,0,1|2,0,0]=3 144 B8R0.7 B(CCCCCC)(O)O AB08083 [1,0,1,0,0,0|1,0,1]=4 145 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,0,1,0,0,0|1,0,0]=3 146 B8R1.2 C1CC(CNC1)CN AB17390 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 C1CC(CNC1)CO PB21599 [2,0,0,0,0,0|1,0,0]=3 148 B8R1.2 C1CC(COC1)C=O AB16155 [2,0,0,0,0,0|1,0,0]=3 149 B8R1.2 C1CC(COC1)CBr PB14565 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 C1CC(COC1)CN PB23481 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.2 C1CC(COC1)CO PB12514 [2,0,0,0,0,0|1,0,0]=3 152 B8R1.2 C1CCN(CC1)CCl AB16725 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 C1CCNC(C1)C=O AB52540 [2,0,0,0,0,0|1,0,0]=3 154 B8R1.2 C1CCOC(C1)C=O MB05934 [2,0,0,0,0,0|1,0,0]=3 155 B8R1.2 C1CCOC(C1)CBr MB00206 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 C1CCOC(C1)CN AB28292 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.2 C1CCOC(C1)CO AB00784 [2,0,0,0,0,0|1,0,0]=3 158 B8R1.2 C1CNCCC1C=O AB52543 [2,0,0,0,0,0|1,0,0]=3 159 B8R1.2 C1CNCCC1CBr AB52518 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 C1CNCCC1CBr MB02967 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 C1CNCCC1CF PB14869 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.2 C1CNCCC1CO PB10118 [2,0,0,0,0,0|1,0,0]=3 163 B8R1.2 C1COCC(N1)CO AB17137 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.2 C1COCCC1C=O AB14645 [2,0,0,0,0,0|1,0,0]=3 165 B8R1.2 C1COCCC1CBr PB20063 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.2 C1COCCC1CCl AB71513 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.2 C1COCCC1CI PB24898 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 C1COCCC1CN AB14272 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 C1COCCC1CN PB27569 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 C1COCCC1CO PB18487 [2,0,0,0,0,0|1,0,0]=3 171 B8R1.2 C1COC[C@@H](N1)CO AB29968 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 C1CSCCC1C=O AB14650 [2,0,0,0,0,0|1,0,0]=3 173 B8R1.2 C1CSCCC1CN PB35740 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 C1CSCCC1CO PB28111 [2,0,0,0,0,0|1,0,0]=3 175 B10R0.4 C(COCCOCC(=O)O)N AB66809 [0,1,1,0,0,0|2,0,0]=4 176 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,1,1,0,0,0|1,0,0]=3 177 B10R1.1 C1CN(CCC1O)CCO MB05042 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.1 CN1CCC(CC1)CCO PB26877 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.10 CN1CCCC(C1)CCO PB22676 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.15 C1COCCC1C(CO)N AB20267 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.15 C1CSCCC1C(CO)N AB20270 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.17 C1CCC(CC1)CCCN AB02348 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.17 COCCC1CCNCC1 PB28136 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.13 C1CC(=O)CCC1C(=O)O PB10093 [0,1,0,0,1,0|0,0,1]=3 185 B10R1.13 C1CC(=O)NCC1C(=O)O PB30997 [0,1,0,0,1,0|1,0,1]=4 186 B10R1.13 C1CC(CCC1C(=O)O)F AB68681 [0,1,0,0,1,0|0,0,0]=2 187 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O PB18272 [0,1,0,0,1,0|1,0,0]=3 188 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [0,1,0,0,1,0|0,0,0]=2 189 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [0,1,0,0,1,0|0,0,0]=2 190 B10R1.13 CC(=O)N1CCC(CC1)N PB24800 [0,1,0,0,1,0|2,0,0]=4 191 B10R1.13 CC(=O)N1CCC(CC1)O PB11970 [0,1,0,0,1,0|2,0,0]=4 192 B10R1.13 CN1CCC(CC1)C(=O)N AB25815 [0,1,0,0,1,0|2,0,0]=4 193 B10R1.13 CN1CCC(CC1)C(=O)O AB04504 [0,1,0,0,1,0|1,0,0]=3 194 B10R1.13 CN1CCC(CC1)C(=O)O PB21919 [0,1,0,0,1,0|1,0,0]=3 195 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,1,0,0,1,0|0,0,0]=2 196 B10R1.28 C1CCC(CC1)S(=O)(=O)Cl AB20735 [0,1,0,0,1,0|1,0,1]=4 197 B10R1.61 C1C=CC[C@@H]([C@H]1C(=O)O)N AB03951 [0,1,0,0,1,0|0,0,2]=4 198 B10R1.61 C1C=CC[C@H]([C@H]1C(=O)O)N AB03891 [0,1,0,0,1,0|0,0,2]=4 199 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,1,0,0,1,0|0,0,0]=2 200 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)N AB50604 [0,1,0,0,1,0|1,0,0]=3 201 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,1,0,0,1,0|0,0,0]=2 202 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,1,0,0,1,0|0,0,0]=2 203 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O AB45065 [0,1,0,0,1,0|0,0,2]=4 204 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O AB46009 [0,1,0,0,1,0|0,0,2]=4 205 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,1,0,0,1,0|1,0,0]=3 206 B10R1.61 CN1CCOCC1C(=O)O AB28234 [0,1,0,0,1,0|2,0,0]=4 207 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,1,0,0,1,0|1,0,1]=4 208 B10R1.113 C1CN[C@@H](C[C@@H]1O)C(=O)O AB55088 [0,1,0,0,1,0|1,0,0]=3 209 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O AB49077 [0,1,0,0,1,0|1,0,1]=4 210 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O AB16268 [0,1,0,0,1,0|1,0,1]=4 211 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,1,0,0,1,0|1,0,0]=3 212 B10R1.113 CN1CCNC(C1)C(=O)O AB25814 [0,1,0,0,1,0|2,0,0]=4 213 B10R1.113 CN1CCOC(C1)C(=O)O AB28265 [0,1,0,0,1,0|2,0,0]=4 214 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,1,0,0,1,0|1,0,0]=3 215 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,1,0,0,1,0|1,0,0]=3 216 B10R1.363 C1CNCCC1(C(=O)O)N AB11717 [0,1,0,0,1,0|1,0,0]=3 217 B10R1.363 C1CNCCC1(C(=O)O)N PB12229 [0,1,0,0,1,0|1,0,0]=3 218 B10R1.363 C1COCCC1(C(=O)O)F PB15021 [0,1,0,0,1,0|1,0,0]=3 219 B10R1.363 C1COCCC1(C(=O)O)N PB20179 [0,1,0,0,1,0|1,0,0]=3 220 B10R1.363 C1CSCCC1(C(=O)O)N AB25459 [0,1,0,0,1,0|1,0,0]=3 221 B10R1.363 CC1(CCCNC1)C(=O)O PB15028 [0,1,0,0,1,0|1,0,0]=3 222 B10R1.363 CC1(CCOCC1)C(=O)O PB34675 [0,1,0,0,1,0|1,0,0]=3 223 B10R1.363 CC1(CCSCC1)C(=O)O PB30322 [0,1,0,0,1,0|1,0,0]=3 224 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N AB15910 [0,1,0,0,1,0|0,0,0]=2 225 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N AB15907 [0,1,0,0,1,0|0,0,0]=2 226 B10R1.23 C1COCC1C(C(=O)O)N AB10007 [0,1,0,0,1,0|1,0,0]=3 227 B10R1.27 COC(=O)C[C@@H]1CCCN1 AB58450 [0,1,0,0,1,0|1,0,0]=3 228 B10R1.54 C1CN(CC1=O)CC(=O)O AB29047 [0,1,0,0,1,0|1,0,1]=4 229 B10R1.54 C1CN(CC1N)CC(=O)O AB29043 [0,1,0,0,1,0|1,0,0]=3 230 B10R1.54 C1CN(C[C@@H]1N)CC(=O)O AB29040 [0,1,0,0,1,0|1,0,0]=3 231 B10R1.54 C1CN(C[C@@H]1O)CC(=O)O AB39264 [0,1,0,0,1,0|1,0,0]=3 232 B10R1.54 C1CN(C[C@H]1N)CC(=O)O AB29038 [0,1,0,0,1,0|1,0,0]=3 233 B10R1.281 C1CCC(C1)CS(=O)(=O)Cl AB22672 [0,1,0,0,1,0|1,0,1]=4 234 B12R1.27 C1CCOC(C1)OC\C(=N/O)\O AB44319 [0,1,0,0,0,1|1,0,1]=4 235 B12R1.27 COC(=O)CCC1COCCN1 AB19196 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.43 C1CCC(CC1)C[C@H](C(=O)O)N AB04112 [0,1,0,0,0,1|0,0,0]=2 237 B12R1.43 C1CNCCC1C[C@@H](C(=O)O)N AB21194 [0,1,0,0,0,1|1,0,0]=3 238 B12R1.107 C1CCC(CC1)C(CC(=O)O)N AB10336 [0,1,0,0,0,1|0,0,0]=2 239 B12R1.107 C1CCC(CC1)[C@@H](CC(=O)O)N AB23546 [0,1,0,0,0,1|0,0,0]=2 240 B12R1.107 C1CCC(CC1)[C@H](CC(=O)O)N AB36128 [0,1,0,0,0,1|0,0,0]=2 241 B12R1.107 C1COCCC1C(CC(=O)O)N AB32524 [0,1,0,0,0,1|1,0,0]=3 242 B12R1.107 C1CSCCC1C(CC(=O)O)N AB32520 [0,1,0,0,0,1|1,0,0]=3 243 B12R1.125 CC1CNCCN1CCC(=O)O AB62057 [0,1,0,0,0,1|2,0,0]=4 244 B12R1.125 C[C@@H]1CNCCN1CCC(=O)O AB62058 [0,1,0,0,0,1|2,0,0]=4 245 B12R1.125 C[C@H]1CNCCN1CCC(=O)O AB62061 [0,1,0,0,0,1|2,0,0]=4 246 B12R1.226 CC1CN(CCN1)CCC(=O)O AB62040 [0,1,0,0,0,1|2,0,0]=4 247 B12R1.226 C[C@@H]1CN(CCN1)CCC(=O)O AB62045 [0,1,0,0,0,1|2,0,0]=4 248 B12R1.226 C[C@H]1CN(CCN1)CCC(=O)O AB62044 [0,1,0,0,0,1|2,0,0]=4 249 B12R1.49 CN1CCC(CC1)CC(=O)OC PB25474 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.1819 C1CS(=O)(=O)CCC1CC(=O)O PB11982 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.34 COC(=O)C(C1CCSCC1)N AB20137 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.34 COC(=O)[C@@H](C1CCOCC1)N AB29333 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.253 CC(C)(C1CCNCC1)C(=O)N PB33533 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.478 C1CCC(CC1)C(CN)C(=O)O AB12898 [0,2,0,0,0,0|0,0,0]=2 255 B12R1.478 C1CCC(CC1)[C@@H](CN)C(=O)O AB35761 [0,2,0,0,0,0|0,0,0]=2 256 B12R1.478 C1CCC(CC1)[C@H](CN)C(=O)O AB35763 [0,2,0,0,0,0|0,0,0]=2 257 B12R1.32 CCOC(=O)CC1CCNCC1 PB32303 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.32 CCOC(=O)CC1CCOCC1 PB18627 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.32 CCOC(=O)CC1CNCCO1 AB19179 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.32 CCOC(=O)CC1COCCN1 AB19176 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.32 CCOC(=O)CN1CCSCC1 AB16496 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.32 CCOC(=O)C[C@@H]1CCCNC1 AB64885 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 AB64884 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.3862 C1CCC(CC1)(CC(=O)O)CN AB07485 [0,2,0,0,0,0|0,0,0]=2 265 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [0,0,1,1,0,0|1,0,0]=3 266 B10R1.266 C1CC(C1)C(CC(=O)O)N AB24717 [0,0,1,1,0,0|1,0,0]=3 267 B10R1.266 C1CC(C1)[C@@H](CC(=O)O)N AB36099 [0,0,1,1,0,0|1,0,0]=3 268 B10R1.266 C1CC(C1)[C@H](CC(=O)O)N AB36096 [0,0,1,1,0,0|1,0,0]=3 269 B10R2.7 C1CCC2C(C1)CCN2 MB00212 [1,0,0,1,0,0|1,0,1]=4 270 B10R2.7 C1CCC2CNCC2C1 AB13837 [1,0,0,1,0,0|2,0,0]=4 271 B10R2.61 C1CC2CC(C(C1)N2)O PB38343 [1,0,0,1,0,0|1,0,1]=4 272 B10R2.61 C1C[C@@H]2C[C@@H]([C@H](C1)N2)O PB39013 [1,0,0,1,0,0|1,0,1]=4 273 B10R2.61 C1C[C@@H]2C[C@H]([C@H](C1)N2)O PB39032 [1,0,0,1,0,0|1,0,1]=4 274 B10R2.62 C1CC2C(CC1CN2)O PB37269 [1,0,0,1,0,0|1,0,1]=4 275 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [1,0,0,1,0,0|1,0,0]=3 276 B10R2.160 C1C2CNCC1C2CO PB32049 [1,0,0,1,0,0|1,0,1]=4 277 B10R2.484 C1CC2(CCO2)CNC1 PB28499 [1,0,0,1,0,0|1,0,1]=4 278 B10R2.484 C1CCC2(CC1)CCN2 PB23617 [1,0,0,1,0,0|1,0,1]=4 279 B10R2.484 C1CCC2(CC1)CNC2 PB17821 [1,0,0,1,0,0|2,0,0]=4 280 B10R2.484 C1CNCCC12CCO2 PB26953 [1,0,0,1,0,0|1,0,1]=4 281 B10R2.484 C1CNCCC12CCO2 PB38731 [1,0,0,1,0,0|1,0,1]=4 282 B10R2.344 C1C2C1(CNC2)C(=O)O PB25715 [0,0,0,1,1,0|1,0,0]=3 283 B10R2.351 C1[C@@H]2[C@@H]([C@H]2C(=O)N)CN1 PB15387 [0,0,0,1,1,0|2,0,0]=4 284 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O PB24875 [0,0,0,1,1,0|1,0,0]=3 285 B10R2.357 C1C2C1CC(C2)C(=O)O PB25532 [0,0,0,1,1,0|0,0,0]=2 286 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O PB10586 [0,0,0,1,1,0|1,0,0]=3 287 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,1,1,0|2,0,0]=4 288 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 PB18614 [0,0,0,1,1,0|2,0,0]=4 289 B10R2.316 C1CCC2(C1)CC(=O)N2 PB38878 [0,0,0,1,1,0|1,0,0]=3 290 B12R2.250 C1COCCC12CC2C(=O)O PB24250 [0,0,0,1,0,1|1,0,0]=3 291 B12R2.594 C1C[C@@H]2CC(=O)NC[C@H](C1)N2 AB65838 [0,0,0,1,0,1|2,0,0]=4 292 B12R2.2918 C1CC2(CC(=O)NC2)CNC1 PB11013 [0,0,0,1,0,1|2,0,0]=4 293 B12R2.2918 C1CNCCC12CC(=O)NC2 PB28206 [0,0,0,1,0,1|2,0,0]=4 294 B12R2.2918 C1COCCC12CC(=O)NC2 PB33154 [0,0,0,1,0,1|2,0,0]=4 295 B12R2.3190 CC(=O)N1C[C@@H]2[C@H]1CNCC2 PB38318 [0,0,0,1,0,1|2,0,0]=4 296 B12R2.1365 C1CC2CNCC1C2C(=O)O PB27315 [0,0,0,1,0,1|0,0,0]=2 297 B12R2.3810 COC(=O)C1C2CC1CNC2 PB13987 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.8 C1CC(NC1)CCO CB10162 [1,0,0,0,1,0|1,0,1]=4 299 B8R1.8 C1CC(NC1)CCO PB35354 [1,0,0,0,1,0|1,0,1]=4 300 B8R1.8 C1CC(OC1)CC=O AB76318 [1,0,0,0,1,0|1,0,0]=3 301 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,0,1,0|1,0,1]=4 302 B8R1.8 C1CCC(C1)CON CB11464 [1,0,0,0,1,0|2,0,0]=4 303 B8R1.8 C1CCC(C1)N=C=O AB10807 [1,0,0,0,1,0|1,0,1]=4 304 B8R1.8 C1CNCC1CCO PB20322 [1,0,0,0,1,0|1,0,1]=4 305 B8R1.8 C1COCC1CC=O AB75447 [1,0,0,0,1,0|1,0,0]=3 306 B8R1.7 B(C1CCCC1)(O)O AB08034 [0,0,0,0,2,0|1,0,1]=4 307 B8R1.7 C1C=CCC1C(=O)O PB14124 [0,0,0,0,2,0|0,0,2]=4 308 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,0,0,0,2,0|0,0,0]=2 309 B8R1.7 C1CNCC1C(=O)N PB11736 [0,0,0,0,2,0|2,0,0]=4 310 B8R1.7 C1CNCC1C(=O)N PB32691 [0,0,0,0,2,0|2,0,0]=4 311 B8R1.7 C1CNCC1C(=O)O PB19915 [0,0,0,0,2,0|1,0,0]=3 312 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [0,0,0,0,2,0|2,0,0]=4 313 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,0,0,0,2,0|1,0,0]=3 314 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [0,0,0,0,2,0|2,0,0]=4 315 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [0,0,0,0,2,0|2,0,0]=4 316 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,0,0,0,2,0|1,0,0]=3 317 B8R1.7 C1COCC1C(=O)N PB20686 [0,0,0,0,2,0|2,0,0]=4 318 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,0,0,0,2,0|1,0,0]=3 319 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,0,0,0,2,0|1,0,0]=3 320 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,0,0,0,2,0|2,0,0]=4 321 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,0,0,0,2,0|1,0,0]=3 322 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,0,0,0,2,0|2,0,0]=4 323 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [0,0,0,0,2,0|2,0,0]=4 324 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,0,0,0,2,0|1,0,0]=3 325 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,0,0,0,2,0|1,0,0]=3 326 B10R1.85 C1CCCC(CC1)CCN AB18476 [1,0,0,0,0,1|1,0,1]=4 327 B12R1.252 C1CNCCC1CCCC(=O)O AB12633 [0,0,0,0,0,2|1,0,0]=3