0 B10R1.66 CC(=O)CCC1CCCC1 Q59160 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.66 CN(C)CCC1CCCN1 Q59412 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 FC(F)OCC1CCCN1 Q62172 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.66 FC(F)OC[C@@H]1CCCN1 Q62173 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.66 FC(F)OC[C@H]1CCCN1 Q62174 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.66 O=C(O)CCC1CCNC1 P35779 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 O=C(O)CCC1OCCO1 M15867 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.66 O=C(O)CCN1CCCC1 10113 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 O=C(O)CCN1CCCC1 P41136 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.66 O=C(O)CC[C@H]1CCCN1 Q59292 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.66 O=C(O)COC1CCCC1 P34810 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.66 O=C(O)\C=C\C1CCCC1 Q60762 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.12 CNCCC1CCCC1 P35273 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.12 CNCCC1CCCC1 P35770 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.12 COCCC1CCCN1 G-7743 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.25 COC(=O)CCC1CCCC1 P38109 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.25 COC(=O)CCC1CCNC1 G-7741 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.35 NC(CC1CCCC1)C(=O)O O28887 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O M22683 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.35 N[C@H](CC1CCCC1)C(=O)O O28409 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.35 O=C(O)C(O)CC1CCCC1 P38584 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.35 O=C(O)[C@@H](O)CC1CCCC1 P38964 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.35 O=C(O)[C@H](O)CC1CCCC1 P40524 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.77 NC(CC(=O)O)C1CCCC1 P36610 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.77 O=C(O)CC(O)C1CCCC1 Q60783 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.90 CN1CCCC1CCC(=O)O Q60694 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.2 O=C(O)CCCCCCBr P38930 [0,0,1,0,0,0|3,0,0]=4 27 B11R2.36 O=C1CC2CNCC2CN1 Q61320 [0,0,0,1,0,0|3,0,0]=4 28 B11R2.36 O=C1CCC2CNCC2C1 Q55052 [0,0,0,1,0,0|3,0,0]=4 29 B11R2.36 O=C1CC[C@H]2COC[C@H]2C1 Q63051 [0,0,0,1,0,0|3,0,0]=4 30 B11R2.36 O=C1CN2CCCC2CN1 Q63019 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.36 O=C1CN2CCC[C@@H]2CN1 Q63020 [0,0,0,1,0,0|2,0,0]=3 32 B11R2.36 O=C1CN2CCC[C@H]2CN1 Q63021 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.36 [C@@H]12CNC[C@@H]1CC(=O)NC2 Q61321 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.141 O=C(O)C1CC12CCCC2 Q54182 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.359 O=C1CC2CCC(CN1)N2 P49357 [0,0,0,1,0,0|2,0,0]=3 36 B11R2.359 O=C1CC2CCC(CN1)O2 P45168 [0,0,0,1,0,0|1,0,0]=2 37 B11R2.359 O=C1C[C@@H]2CC[C@H](CN1)O2 P50875 [0,0,0,1,0,0|1,0,0]=2 38 B11R2.359 O=C1C[C@H]2CC[C@@H](CN1)O2 P50761 [0,0,0,1,0,0|1,0,0]=2 39 B11R2.748 O=C1CC2(CCNC2)CN1 G-7484 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.748 O=C1CC2(CCNC2)CN1 Q57339 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.748 O=C1CC2(CCOC2)CN1 Q63456 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.748 O=C1CCC2(C1)OCCO2 Q56981 [0,0,0,1,0,0|2,0,0]=3 43 B11R2.748 O=C1COC2(CCCC2)C1 Q61778 [0,0,0,1,0,0|3,0,0]=4 44 B11R2.845 CC(=O)C1CC2CCC1O2 P48723 [0,0,0,1,0,0|1,0,0]=2 45 B11R2.845 CC(=O)N1C[C@@H]2C[C@H]1CN2 P49773 [0,0,0,1,0,0|2,0,0]=3 46 B11R2.845 CC(=O)N1C[C@@H]2C[C@H]1CN2 Q56050 [0,0,0,1,0,0|2,0,0]=3 47 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CN2 P49093 [0,0,0,1,0,0|2,0,0]=3 48 B11R2.845 O=C(Cl)C1CC2CCC1C2 P45712 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.845 O=C(O)C1CC2CCC1O2 P46492 [0,0,0,1,0,0|2,0,0]=3 50 B11R2.845 O=C(O)C1C[C@@H]2CC[C@H]1C2 P44646 [0,0,0,1,0,0|3,0,0]=4 51 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 P45672 [0,0,0,1,0,0|2,0,0]=3 52 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 P45883 [0,0,0,1,0,0|3,0,0]=4 53 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 P49910 [0,0,0,1,0,0|2,0,0]=3 54 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1C2 P45173 [0,0,0,1,0,0|3,0,0]=4 55 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 P45671 [0,0,0,1,0,0|2,0,0]=3 56 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 P44808 [0,0,0,1,0,0|3,0,0]=4 57 B11R2.860 O=C(O)CC1C2CCOC21 Q64156 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.13 CC(=O)NC1CCNC1 P36025 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.13 CC(=O)N[C@@H]1CCNC1 L21969 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.13 CC(=O)N[C@H]1CCNC1 P42553 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.13 CC(=O)N[C@H]1CCNC1 Q56351 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,0,0,0,1,0|1,0,2]=4 63 B9R1.13 CN(C)CC1CCCN1 O28921 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.13 CN(C)C[C@@H]1CCCN1 L22126 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.13 CN(C)C[C@H]1CCCN1 I-9768 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.13 NC(=O)CC1CCCN1 Q61611 [0,0,0,0,1,0|2,0,0]=3 67 B9R1.13 NC(=O)CC1CCCN1 Q61612 [0,0,0,0,1,0|2,0,0]=3 68 B9R1.13 NC(=O)CC1CCNC1 Q57405 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.13 NC(=O)CC1CCNC1 Q57406 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.13 O=C(Cl)CC1CCCO1 L21210 [0,0,0,0,1,0|1,0,0]=2 71 B9R1.13 O=C(Cl)OC1CCOC1 L19890 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.13 O=C(O)CC1CCCN1 P36438 [0,0,0,0,1,0|2,0,0]=3 73 B9R1.13 O=C(O)CC1CCCN1 P51099 [0,0,0,0,1,0|2,0,0]=3 74 B9R1.13 O=C(O)CC1CCNC1 G-6773 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.13 O=C(O)CC1CCNC1 M22656 [0,0,0,0,1,0|3,0,0]=4 76 B9R1.13 O=C(O)CC1CCOC1 A-556 [0,0,0,0,1,0|3,0,0]=4 77 B9R1.13 O=C(O)CN1CCCC1 10114 [0,0,0,0,1,0|3,0,0]=4 78 B9R1.13 O=C(O)C[C@@H]1CCCN1 P37561 [0,0,0,0,1,0|2,0,0]=3 79 B9R1.13 O=C(O)C[C@@H]1CCCN1 Q68982 [0,0,0,0,1,0|2,0,0]=3 80 B9R1.13 O=C(O)C[C@@H]1CCNC1 L21906 [0,0,0,0,1,0|3,0,0]=4 81 B9R1.13 O=C(O)C[C@H]1CCCN1 P38072 [0,0,0,0,1,0|2,0,0]=3 82 B9R1.13 O=C(O)C[C@H]1CCCN1 P51185 [0,0,0,0,1,0|2,0,0]=3 83 B9R1.13 O=C(O)C[C@H]1CCOC1 Q55020 [0,0,0,0,1,0|3,0,0]=4 84 B9R1.84 CC(=O)NCC1CNC1 P42074 [0,0,0,0,1,0|2,0,0]=3 85 B9R1.84 CC(C)NCC1CCC1 P47037 [0,0,0,0,1,0|2,0,1]=4 86 B9R1.84 CC(C)NCC1CCC1 P49825 [0,0,0,0,1,0|2,0,1]=4 87 B9R1.84 NC(=S)NCC1CCC1 P49815 [0,0,0,0,1,0|2,1,0]=4 88 B9R1.84 O=C(O)C#CC1CCC1 P48727 [0,0,0,0,1,0|2,0,1]=4 89 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,0,0,0,1,0|2,0,0]=3 90 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,0,0,0,1,0|2,0,0]=3 91 B9R1.84 O=C(O)CNC1CCC1 I-9681 [0,0,0,0,1,0|3,0,0]=4 92 B9R1.84 O=C(O)COC1CCC1 P44175 [0,0,0,0,1,0|3,0,0]=4 93 B9R1.84 O=C(O)\C=C\C1CCC1 P44576 [0,0,0,0,1,0|2,0,1]=4 94 B9R1.84 O=C([O-])CCC1CCO1 Q57244 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.91 CC(=O)NCC1CCNCC1 Q53352 [0,0,0,0,0,1|2,0,0]=3 96 B11R1.91 CC(=O)NCC1COCCN1 L20323 [0,0,0,0,0,1|2,0,0]=3 97 B11R1.91 CC(=O)NCC1COCCN1 L20324 [0,0,0,0,0,1|2,0,0]=3 98 B11R1.91 CC(C)NCC1CCCCO1 Q57677 [0,0,0,0,0,1|2,0,1]=4 99 B11R1.91 NC(=O)NCC1CCCCN1 Q60027 [0,0,0,0,0,1|3,0,0]=4 100 B11R1.91 NC(=O)NCC1CCNCC1 Q60028 [0,0,0,0,0,1|3,0,0]=4 101 B11R1.91 NC(=O)NCC1CCNCC1 Q60029 [0,0,0,0,0,1|3,0,0]=4 102 B11R1.91 O=C(Cl)OCC1CCOCC1 L19743 [0,0,0,0,0,1|2,0,0]=3 103 B11R1.91 O=C(O)CCC1CCCCN1 S72480 [0,0,0,0,0,1|3,0,0]=4 104 B11R1.91 O=C(O)CCC1CCCOC1 Q57648 [0,0,0,0,0,1|2,0,0]=3 105 B11R1.91 O=C(O)CCC1CCNCC1 P37756 [0,0,0,0,0,1|3,0,0]=4 106 B11R1.91 O=C(O)CCC1CCOCC1 Q52716 [0,0,0,0,0,1|3,0,0]=4 107 B11R1.91 O=C(O)CCC1CNCCO1 P41498 [0,0,0,0,0,1|2,0,0]=3 108 B8R0.7 CNCCCNC(C)=O P37409 [1,0,1,0,0,0|2,0,0]=4 109 B8R0.7 NCCOCCC(=O)O P41214 [1,0,1,0,0,0|2,0,0]=4 110 B8R1.8 CNCC1CCCC1 P38031 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.8 CNC[C@@H]1CCCN1 P49799 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.8 CNC[C@H]1CCCN1 P45316 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.8 COCC1CCCN1 O28849 [2,0,0,0,0,0|1,0,0]=3 114 B8R1.8 COCC1CCNC1 L18134 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.8 COCC1CCNC1 L18135 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.8 COC[C@@H]1CCCN1 L14013 [2,0,0,0,0,0|1,0,0]=3 117 B8R1.8 COC[C@@H]1CCNC1 L22515 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.8 COC[C@@H]1CCNC1 S72614 [2,0,0,0,0,0|2,0,0]=4 119 B8R1.8 COC[C@H]1CCCN1 P35868 [2,0,0,0,0,0|1,0,0]=3 120 B8R1.8 COC[C@H]1CCNC1 L22047 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.8 O=CCC1CCCC1 P37401 [2,0,0,0,0,0|1,0,0]=3 122 B8R1.8 O=CCN1CCCC1 P35023 [2,0,0,0,0,0|2,0,0]=4 123 B10R0.4 NCCOCCOCC(=O)O P41563 [0,1,1,0,0,0|2,0,0]=4 124 B10R0.4 O=C(O)COCCOCCO P37674 [0,1,1,0,0,0|2,0,0]=4 125 B10R0.74 COC(=O)CCCCCCBr P37550 [0,1,1,0,0,0|2,0,0]=4 126 B10R0.74 COC(=O)CCCCCCN P40404 [0,1,1,0,0,0|2,0,0]=4 127 B10R1.23 NC(C(=O)O)C1CCCC1 O27933 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 O28834 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.23 O=C(O)C(Br)C1CCCC1 F-4556 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.23 O=C(O)C(O)C1CCCC1 Q59151 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.54 CC(=O)OC1C=CC(O)C1 Q56907 [0,1,0,0,1,0|1,0,1]=4 132 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](O)C1 Q55836 [0,1,0,0,1,0|1,0,1]=4 133 B10R1.54 CC(=O)O[C@@H]1CC[C@H](O)C1 Q62079 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 L13608 [0,1,0,0,1,0|1,0,1]=4 135 B10R1.54 CC(=O)O[C@H]1C=C[C@H](O)C1 Q52819 [0,1,0,0,1,0|1,0,1]=4 136 B10R1.54 CC(=O)O[C@H]1CC[C@@H](O)C1 Q56986 [0,1,0,0,1,0|1,0,0]=3 137 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Q57018 [0,1,0,0,1,0|2,0,0]=4 138 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Q57015 [0,1,0,0,1,0|2,0,0]=4 139 B10R1.64 CC(=O)O[C@@H]1CCC[C@H]1O Q62825 [0,1,0,0,1,0|1,0,0]=3 140 B10R1.64 CC1CCCC1CC(=O)O O29673 [0,1,0,0,1,0|2,0,0]=4 141 B10R1.64 CN1CCCC1CC(=O)O Q66259 [0,1,0,0,1,0|2,0,0]=4 142 B10R1.281 CS(=O)(=O)CC1CCCN1 Q57401 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.370 NC1(CC(=O)O)CCCC1 H-8358 [0,1,0,0,1,0|2,0,0]=4 144 B10R1.82 CC1CC(CCC(=O)O)C1 P48844 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.151 COC(=O)CCC1CCC1 P47751 [0,1,0,0,1,0|1,0,0]=3 146 B10R1.151 COC(=O)COC1CCC1 P49175 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.151 O=C(CCl)NCC1CCC1 P49813 [0,1,0,0,1,0|1,0,0]=3 148 B10R1.204 NC(CC1CCC1)C(=O)O O28943 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.204 NC(CC1CCC1)C(=O)O P45326 [0,1,0,0,1,0|2,0,0]=4 150 B10R1.204 N[C@@H](CC1CCC1)C(=O)O P34724 [0,1,0,0,1,0|2,0,0]=4 151 B10R1.204 N[C@H](CC1CCC1)C(=O)O O28407 [0,1,0,0,1,0|2,0,0]=4 152 B10R1.204 O=C(O)[C@@H](O)CC1CCC1 P43161 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.204 O=C(O)[C@H](O)CC1CCC1 P44062 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.266 NC(CC(=O)O)C1CCC1 P35391 [0,1,0,0,1,0|2,0,0]=4 155 B10R1.353 O=C(O)CCC1(F)CCC1 P47832 [0,1,0,0,1,0|2,0,0]=4 156 B10R1.353 O=C(O)CCC1(O)CCC1 P47953 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.27 COC(=O)CCC1CCCCO1 Q57793 [0,1,0,0,0,1|1,0,0]=3 158 B12R1.43 CC(=O)N(C)CC1CCNCC1 Q65253 [0,1,0,0,0,1|2,0,0]=4 159 B12R1.43 NC(CC1CCCCO1)C(=O)O Q57713 [0,1,0,0,0,1|2,0,0]=4 160 B12R1.43 NC(CC1CCCCO1)C(=O)O Q57714 [0,1,0,0,0,1|2,0,0]=4 161 B12R1.43 NC(CC1CCCOC1)C(=O)O Q52373 [0,1,0,0,0,1|2,0,0]=4 162 B12R1.107 CC(=O)NC(C)C1CCNCC1 Q57509 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.891 CS(=O)(=O)OCC1CCCCO1 S72478 [0,1,0,0,0,1|1,0,0]=3 164 B12R1.891 CS(=O)(=O)OCC1CCOCC1 P41687 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.3110 CC(=O)NCC1(F)CCNCC1 Q53024 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.3110 CC(=O)NCC1(N)CCCCC1 L19704 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.54 CC(=O)CCC(=O)C1CCCC1 Q59164 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.130 CN1CCCC1COCC(=O)O Q60895 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.130 CN1CCC[C@H]1COCC(=O)O Q60802 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 P42379 [0,2,0,0,0,0|2,0,0]=4 171 B10R1.18 CC(=O)OC1CCNCC1 S72675 [0,0,1,1,0,0|2,0,0]=4 172 B10R1.18 NC(=O)CC1CCCCO1 Q57816 [0,0,1,1,0,0|2,0,0]=4 173 B10R1.39 CC(=O)N1CCCC1CN Q59396 [0,0,1,1,0,0|2,0,0]=4 174 B10R1.39 CC(=O)N1CCCC1CN Q59397 [0,0,1,1,0,0|2,0,0]=4 175 B10R1.61 CC(=O)C1CCCCC1F Q53666 [0,0,1,1,0,0|2,0,0]=4 176 B10R1.61 O=C(O)C1CCCCC1O P45410 [0,0,1,1,0,0|2,0,0]=4 177 B10R1.31 COC1CCC(C(=O)O)C1 Q56979 [0,0,1,1,0,0|2,0,0]=4 178 B10R1.31 CO[C@@H]1CC[C@@H](C(=O)O)C1 Q56980 [0,0,1,1,0,0|2,0,0]=4 179 B10R1.31 CO[C@@H]1CC[C@@H](C(=O)O)C1 Q63416 [0,0,1,1,0,0|2,0,0]=4 180 B10R1.31 CO[C@@H]1CC[C@H](C(=O)O)C1 Q56978 [0,0,1,1,0,0|2,0,0]=4 181 B10R1.31 CO[C@@H]1CC[C@H](C(=O)O)C1 Q63417 [0,0,1,1,0,0|2,0,0]=4 182 B10R1.31 CO[C@H]1CC[C@@H](C(=O)O)C1 Q63418 [0,0,1,1,0,0|2,0,0]=4 183 B10R1.31 CO[C@H]1CC[C@H](C(=O)O)C1 Q63415 [0,0,1,1,0,0|2,0,0]=4 184 B10R1.93 CCOC1CC(C(=O)O)C1 P47354 [0,0,1,1,0,0|2,0,0]=4 185 B10R1.113 CC(=O)N1CCCC(I)C1 Q61025 [0,0,1,1,0,0|2,0,0]=4 186 B10R1.113 CC1CC(C(=O)O)CCO1 Q61449 [0,0,1,1,0,0|2,0,0]=4 187 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 P46948 [0,0,1,1,0,0|2,0,0]=4 188 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 O33392 [0,0,1,1,0,0|2,0,0]=4 189 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 O33391 [0,0,1,1,0,0|2,0,0]=4 190 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P49269 [0,0,1,1,0,0|2,0,0]=4 191 B10R1.140 CCOC(=O)[C@@H]1CC(=O)O1 Q54790 [0,0,1,1,0,0|1,0,1]=4 192 B10R1.140 CCOC(=O)[C@H]1CC(=O)O1 Q54791 [0,0,1,1,0,0|1,0,1]=4 193 B10R2.7 C1C[C@H]2OCC[C@H]2CN1 Q59472 [1,0,0,1,0,0|2,0,0]=4 194 B10R2.99 O=CC1CC2CCC1C2 P46547 [1,0,0,1,0,0|2,0,0]=4 195 B10R2.138 C1CC2CCC(CN1)O2 L19897 [1,0,0,1,0,0|1,0,1]=4 196 B10R2.138 C1CC2CCC(CN1)O2 P45302 [1,0,0,1,0,0|1,0,1]=4 197 B10R2.138 C1C[C@@H]2CC[C@H](CN1)O2 P50040 [1,0,0,1,0,0|1,0,1]=4 198 B10R2.138 C1C[C@H]2CC[C@@H](CN1)O2 P46522 [1,0,0,1,0,0|1,0,1]=4 199 B10R2.178 O=C1CCC2CCC1N2 L18137 [1,0,0,1,0,0|2,0,0]=4 200 B10R2.178 O=C1CCC2CCC1N2 P43913 [1,0,0,1,0,0|2,0,0]=4 201 B10R2.178 O=C1NCC2CCC1N2 L13321 [1,0,0,1,0,0|2,0,0]=4 202 B10R2.178 O=C1NCC2CCC1N2 P45933 [1,0,0,1,0,0|2,0,0]=4 203 B10R2.483 C1CNC2(C1)CCOC2 O29696 [1,0,0,1,0,0|1,0,1]=4 204 B10R2.483 C1CNC2(C1)CCOC2 Q56375 [1,0,0,1,0,0|1,0,1]=4 205 B10R2.483 C1COC2(C1)CCNC2 G-7903 [1,0,0,1,0,0|1,0,1]=4 206 B10R2.483 C1COC2(C1)CCNC2 Q56376 [1,0,0,1,0,0|1,0,1]=4 207 B10R2.2 O=C1CC2CCOC2O1 Q59460 [0,0,0,1,1,0|0,0,0]=2 208 B10R2.2 O=C1CC2CSCC2C1 G-7777 [0,0,0,1,1,0|2,0,0]=4 209 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 Q64138 [0,0,0,1,1,0|2,0,0]=4 210 B10R2.2 O=C1C[C@@H]2COC[C@H]2C1 Q64139 [0,0,0,1,1,0|2,0,0]=4 211 B10R2.2 O=C1C[C@H]2CCC[C@H]2N1 Q61894 [0,0,0,1,1,0|2,0,0]=4 212 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 I-9320 [0,0,0,1,1,0|2,0,0]=4 213 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 L14391 [0,0,0,1,1,0|2,0,0]=4 214 B10R2.71 C=C1CC2CCC(C1)N2 L18789 [0,0,0,1,1,0|2,0,0]=4 215 B10R2.71 NC1CC2CCC(C1)O2 I-9764 [0,0,0,1,1,0|1,0,1]=4 216 B10R2.71 NC1CC2CCC(C1)O2 P44881 [0,0,0,1,1,0|1,0,1]=4 217 B10R2.71 O=C1CC2C=CC(C1)O2 I-9170 [0,0,0,1,1,0|0,0,2]=4 218 B10R2.71 O=C1CC2CCC(C1)C2 G-7015 [0,0,0,1,1,0|1,0,0]=3 219 B10R2.71 O=C1CC2CCC(C1)N2 C-3492 [0,0,0,1,1,0|1,0,0]=3 220 B10R2.71 O=C1CC2CCC(C1)O2 G-6882 [0,0,0,1,1,0|0,0,0]=2 221 B10R2.71 O=C1CC2CNC(C1)C2 P48499 [0,0,0,1,1,0|1,0,0]=3 222 B10R2.71 OC1CC2CCC(C1)O2 P49665 [0,0,0,1,1,0|0,0,2]=4 223 B10R2.71 [C@H]12CC[C@H](C[C@@H](N)C1)O2 P50504 [0,0,0,1,1,0|1,0,1]=4 224 B10R2.71 [C@H]12CC[C@H](C[C@@H](O)C1)O2 L21419 [0,0,0,1,1,0|0,0,2]=4 225 B10R2.71 [C@H]12CC[C@H](C[C@H](N)C1)O2 P45311 [0,0,0,1,1,0|1,0,1]=4 226 B10R2.71 [C@H]12CC[C@H](C[C@H](O)C1)O2 L21421 [0,0,0,1,1,0|0,0,2]=4 227 B10R2.316 C=C1CC2(C1)OCCO2 L22523 [0,0,0,1,1,0|2,0,0]=4 228 B10R2.316 O=C1CC2(C1)OCCO2 P46871 [0,0,0,1,1,0|1,0,0]=3 229 B10R2.316 O=C1CC2(CCCC2)C1 P44056 [0,0,0,1,1,0|1,0,0]=3 230 B10R2.316 O=C1CC2(CCOC2)C1 Q52189 [0,0,0,1,1,0|2,0,0]=4 231 B10R2.351 NC(=O)C1C2CCOC21 Q64157 [0,0,0,1,1,0|1,0,0]=3 232 B10R2.351 O=C(O)C1C2CCCC21 Q59530 [0,0,0,1,1,0|2,0,0]=4 233 B10R2.351 O=C(O)C1C2CCCN21 Q59336 [0,0,0,1,1,0|2,0,0]=4 234 B10R2.351 O=C(O)C1C2CCOC21 L22522 [0,0,0,1,1,0|1,0,0]=3 235 B10R2.351 [C@@H]12CCO[C@@H]1[C@@H]2C(=O)O Q64154 [0,0,0,1,1,0|1,0,0]=3 236 B10R2.351 [C@@H]12CCO[C@@H]1[C@H]2C(=O)O Q64155 [0,0,0,1,1,0|1,0,0]=3 237 B10R2.332 O=C1CC2(CN1)COC2 F-4760 [0,0,0,1,1,0|2,0,0]=4 238 B10R2.332 O=C1CC2(CNC2)CN1 O33406 [0,0,0,1,1,0|2,0,0]=4 239 B10R2.332 O=C1CC2(CNC2)CN1 P47831 [0,0,0,1,1,0|2,0,0]=4 240 B10R2.332 O=C1CC2(CNC2)CN1 Q53873 [0,0,0,1,1,0|2,0,0]=4 241 B10R2.332 O=C1CCC2(COC2)C1 Q64137 [0,0,0,1,1,0|2,0,0]=4 242 B10R2.332 O=C1COC2(CCC2)C1 Q55884 [0,0,0,1,1,0|2,0,0]=4 243 B10R2.332 O=C1NCC2(CCC2)O1 G-6938 [0,0,0,1,1,0|2,0,0]=4 244 B10R2.638 O=C(O)C1CC12CCC2 I-9657 [0,0,0,1,1,0|2,0,0]=4 245 B12R2.24 O=C1CN2CCCCC2CN1 Q59920 [0,0,0,1,0,1|2,0,0]=4 246 B12R2.594 O=C1CC2CCCC(CN1)N2 P49370 [0,0,0,1,0,1|2,0,0]=4 247 B12R2.2918 O=C1CC2(CCCNC2)CN1 P44330 [0,0,0,1,0,1|2,0,0]=4 248 B12R2.2918 O=C1CC2(CCNCC2)CN1 C-3479 [0,0,0,1,0,1|2,0,0]=4 249 B12R2.2918 O=C1CC2(CCNCC2)CN1 L22504 [0,0,0,1,0,1|2,0,0]=4 250 B12R2.2918 O=C1CC2(CCOCC2)CN1 G-5754 [0,0,0,1,0,1|2,0,0]=4 251 B12R2.2918 O=C1NC2(CCNCC2)CO1 S72704 [0,0,0,1,0,1|2,0,0]=4 252 B12R2.2918 O=C1NC2(CCNCC2)CO1 S72705 [0,0,0,1,0,1|2,0,0]=4 253 B12R2.3190 [C@@H]12CNCC[C@@H]1CN2C(C)=O Q56390 [0,0,0,1,0,1|2,0,0]=4 254 B12R2.1362 O=C(O)C1OCC2CCCC21 Q57419 [0,0,0,1,0,1|2,0,0]=4 255 B12R2.5121 O=C1CC2(CCN1)OCCO2 O32634 [0,0,0,1,0,1|2,0,0]=4 256 B12R2.5121 O=C1CCCC2(C1)OCCO2 L13561 [0,0,0,1,0,1|2,0,0]=4 257 B12R2.5121 O=C1CCNC2(CCCC2)C1 Q59157 [0,0,0,1,0,1|2,0,0]=4 258 B12R2.5121 O=C1CCOC2(CCCC2)C1 L18200 [0,0,0,1,0,1|2,0,0]=4 259 B12R2.1175 O=C1CCC2(CCCC2)CC1 Q57065 [0,1,0,1,0,0|2,0,0]=4 260 B12R2.1175 O=C1CCC2(CCCN2)CC1 Q61486 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.1175 O=C1CCC2(CN1)OCCO2 Q61123 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.1175 O=C1CNC2(CCCC2)CN1 Q61919 [0,1,0,1,0,0|2,0,0]=4 263 B12R2.1596 COC(=O)C1CC2CC1CN2 P48501 [0,1,0,1,0,0|2,0,0]=4 264 B12R2.1596 COC(=O)C1CC2CC1CN2 Q65317 [0,1,0,1,0,0|2,0,0]=4 265 B12R2.1596 COC(=O)C1CC2CCC1N2 P44141 [0,1,0,1,0,0|2,0,0]=4 266 B12R2.1596 COC(=O)[C@@H]1C[C@@H]2CC[C@H]1N2 P50698 [0,1,0,1,0,0|2,0,0]=4 267 B12R2.1596 COC(=O)[C@H]1C[C@H]2CC[C@@H]1N2 P47188 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.1596 [C@@H]12CC[C@@H](N1)[C@H](C(=O)OC)C2 L13475 [0,1,0,1,0,0|2,0,0]=4 269 B12R2.252 O=C(O)C1CC2OCCC2N1 Q59344 [0,1,0,1,0,0|2,0,0]=4 270 B12R2.253 O=C(O)C1CC2CCC(C1)O2 G-7487 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.606 O=C1CN2CC(F)CC2CN1 Q63043 [0,1,0,1,0,0|2,0,0]=4 272 B12R2.606 O=C1CN2C[C@@H](F)C[C@@H]2CN1 Q63044 [0,1,0,1,0,0|2,0,0]=4 273 B12R2.606 O=C1CN2C[C@@H](F)C[C@@H]2CN1 Q63045 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.606 O=C1CN2C[C@@H](F)C[C@H]2CN1 Q63049 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.606 O=C1CN2C[C@H](F)C[C@@H]2CN1 Q63047 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.606 O=C1CN2C[C@H](F)C[C@@H]2CN1 Q63048 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.606 O=C1CN2C[C@H](F)C[C@H]2CN1 Q63046 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.1168 NC1CCC2(CNC(=O)C2)C1 O33036 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.1168 NC1CCC2(CNC(=O)C2)C1 Q53059 [0,1,0,1,0,0|2,0,0]=4 280 B12R2.1172 CC12CCCN1CC(=O)NC2 Q63025 [0,1,0,1,0,0|2,0,0]=4 281 B12R2.1172 C[C@@]12CCCN1CC(=O)NC2 Q63027 [0,1,0,1,0,0|2,0,0]=4 282 B12R2.1172 C[C@]12CCCN1CC(=O)NC2 Q63026 [0,1,0,1,0,0|2,0,0]=4 283 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,0,1,0,1,0|0,0,2]=4 284 B8R0.5 COCC(O)CC(=O)O F-4460 [0,0,1,0,1,0|2,0,0]=4 285 B8R1.10 CC=CCN1CCC1 P45310 [1,0,0,0,1,0|2,0,0]=4 286 B8R1.10 CCNCC1CCC1 P45276 [1,0,0,0,1,0|1,0,1]=4 287 B8R1.10 CCNCC1CCC1 P45868 [1,0,0,0,1,0|1,0,1]=4 288 B8R1.10 CCOCC1CNC1 P44922 [1,0,0,0,1,0|1,0,1]=4 289 B8R1.10 CNCCC1CCC1 P34701 [1,0,0,0,1,0|2,0,0]=4 290 B8R1.10 O=C=NCC1CCC1 P47945 [1,0,0,0,1,0|1,0,1]=4 291 B8R1.10 O=CCCC1CCC1 P46841 [1,0,0,0,1,0|1,0,0]=3 292 B8R1.10 O=CCCC1CCO1 Q57245 [1,0,0,0,1,0|1,0,0]=3 293 B8R1.7 CC(=O)C1CCCN1 P37169 [0,0,0,0,2,0|1,0,0]=3 294 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,0,0,0,2,0|1,0,0]=3 295 B8R1.7 CC(=O)C1CCNC1 O31491 [0,0,0,0,2,0|2,0,0]=4 296 B8R1.7 CC(=O)C1NCCS1 M15825 [0,0,0,0,2,0|1,1,0]=4 297 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,0,0,0,2,0|1,0,0]=3 298 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,0,0,0,2,0|1,0,0]=3 299 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,0,0,0,2,0|1,0,0]=3 300 B8R1.7 NC(=O)C1CCCC1 P38833 [0,0,0,0,2,0|2,0,0]=4 301 B8R1.7 NC(=O)C1CCCN1 P39079 [0,0,0,0,2,0|2,0,0]=4 302 B8R1.7 NC(=O)C1CCCN1 P42514 [0,0,0,0,2,0|2,0,0]=4 303 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,0,0,0,2,0|2,0,0]=4 304 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,0,0,0,2,0|2,0,0]=4 305 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,0,0,0,2,0|2,0,0]=4 306 B8R1.34 CC(=O)CC1CCC1 P48892 [0,0,0,0,2,0|0,0,0]=2 307 B8R1.34 CC(=O)NC1CNC1 G-5840 [0,0,0,0,2,0|2,0,0]=4 308 B8R1.34 CC(=O)NC1CNC1 P44173 [0,0,0,0,2,0|2,0,0]=4 309 B8R1.34 CC(=O)OC1CNC1 P42388 [0,0,0,0,2,0|1,0,0]=3 310 B8R1.34 CC(=O)SC1CNC1 C-3406 [0,0,0,0,2,0|1,1,0]=4 311 B8R1.34 CC(=O)SC1CNC1 P50614 [0,0,0,0,2,0|1,1,0]=4 312 B8R1.34 N=C(N)CC1CCC1 P48135 [0,0,0,0,2,0|2,0,0]=4 313 B8R1.34 NC(=O)CC1CNC1 P47102 [0,0,0,0,2,0|2,0,0]=4 314 B8R1.34 NC(=O)CC1CNC1 P48716 [0,0,0,0,2,0|2,0,0]=4 315 B8R1.34 NC(=O)NC1CCC1 P45216 [0,0,0,0,2,0|2,0,0]=4 316 B8R1.34 O=C(O)CC1CCC1 P44572 [0,0,0,0,2,0|1,0,0]=3 317 B8R1.34 O=C(O)CC1CCN1 P44826 [0,0,0,0,2,0|2,0,0]=4 318 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,0,0,0,2,0|1,0,0]=3 319 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,0,0,0,2,0|2,0,0]=4 320 B8R1.34 O=C(O)CC1CNC1 M22650 [0,0,0,0,2,0|2,0,0]=4 321 B8R1.34 O=C(O)CC1CNC1 P46867 [0,0,0,0,2,0|2,0,0]=4 322 B8R1.34 O=C(O)CC1COC1 F-4181 [0,0,0,0,2,0|2,0,0]=4 323 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,0,0,0,2,0|2,0,0]=4 324 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,0,0,0,2,0|1,0,0]=3 325 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,0,0,0,2,0|1,0,0]=3 326 B8R1.35 O=C(O)CCC1CC1 P37405 [0,0,0,0,2,0|2,0,0]=4 327 B10R1.17 CCOCC1CCCNC1 Q60046 [1,0,0,0,0,1|1,0,1]=4 328 B10R1.17 CCOCC1CCCNC1 S72607 [1,0,0,0,0,1|1,0,1]=4 329 B10R1.17 O=CCCC1CCNCC1 Q53388 [1,0,0,0,0,1|2,0,0]=4 330 B10R1.17 O=CCCC1CCOCC1 Q57776 [1,0,0,0,0,1|2,0,0]=4 331 B12R1.252 CC(=O)NCCC1CCCNC1 Q57546 [0,0,0,0,0,2|2,0,0]=4