0 B10R1.10 CCCC1CC(=O)CCO1 Q57712 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 CCCC1CC(O)CCO1 Q57709 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.10 CCNC1CCCN(C)C1 G-7108 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.10 CN1CCCC(CCN)C1 I-9348 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.10 CN1CCCC(CCO)C1 L18437 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.10 CN1CCC[C@@H](CCN)C1 Q56616 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.10 CN1CCC[C@@H](CCO)C1 Q54915 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.10 CN1CCC[C@H](CCN)C1 Q56617 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.10 CN1CCC[C@H](CCO)C1 Q54916 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.10 N#CCC1CCCC(=O)N1 Q59876 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.2 C=CC1CCCC(=O)C1 P47289 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.2 CCC1CC(=O)CCO1 10650 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.2 CCN1CCNC(=O)C1 L21411 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.2 COC1CCCC(=O)C1 P44206 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.2 NCC1CCCC(=O)N1 Q65073 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.2 NCC1CCNC(=O)C1 C-3610 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 NCC1CCNC(=O)C1 Q51820 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 O=C1CC(CO)CCN1 C-3400 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.2 O=C1CCCC(CO)N1 10055 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.2 O=C1CCOC(CO)C1 Q54642 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 BrCCC1CCCCC1 P40749 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 CCCC1CCCNC1 Q59858 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CCCC1CCNCC1 M22635 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.8 CCOC1CCCNC1 P42499 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CNCC1CCCCC1 P39298 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 CNCC1CCCCC1 Q59474 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 CNCC1CCCOC1 L14590 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CNCC1COCCO1 Q70163 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 CNC[C@@H]1COCCO1 P44854 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 CNC[C@H]1COCCO1 P46411 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 COCC1CCCCN1 O28609 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 COCC1CCCCN1 Q60043 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 COCC1CCCNC1 O28836 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 COCC1CNCCO1 B-1096 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 COC[C@@H]1CCCNC1 P35700 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 COC[C@@H]1CNCCO1 B-1097 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 COC[C@H]1CCCNC1 P35650 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 COC[C@H]1CNCCO1 B-1098 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 FCCC1CCCNC1 Q57445 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 NCCC1CCCCC1 P34723 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 NCCC1CCCCO1 P38225 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 NCCC1CCCOC1 S72503 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 NNCC1CCCCO1 L20946 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 NNCC1CCCCO1 Q57605 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 OCCC1CCCCC1 P44676 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.8 OCCC1CCCCO1 P38380 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.8 OCCC1CCCNC1 P36369 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 OCCC1CNCCO1 O28277 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 OCC[C@@H]1CCCCN1 O33566 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.13 CCOC1=C(Cl)C(=O)CCC1 P44987 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.23 COC(=O)C1CCCC(=O)C1 P48838 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 P46175 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 P49238 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.157 O=C(O)CC1CCCC(=O)N1 Q57418 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.2 CCCCCCCB(O)O N24230 [0,0,1,0,0,0|1,0,1]=3 59 B9R0.2 CNCCCCCC(=O)O P42203 [0,0,1,0,0,0|1,0,0]=2 60 B9R0.2 COCCOCCC(=O)O P41094 [0,0,1,0,0,0|2,0,0]=3 61 B9R0.2 O=C(O)CCCCCCBr P38930 [0,0,1,0,0,0|1,0,0]=2 62 B9R0.2 [N-]=[N+]=NCCCCC(=O)O P36012 [0,0,1,0,0,0|3,0,0]=4 63 B9R0.5 CCCCCC(O)CCO O28430 [0,0,1,0,0,0|2,0,1]=4 64 B9R0.5 CCCCNC(=O)CC#N P38337 [0,0,1,0,0,0|2,0,1]=4 65 B9R0.34 COCC(C)NC(=O)CCl L18642 [0,0,1,0,0,0|3,0,0]=4 66 B11R2.36 O=C1CC2CNCC2CN1 Q61320 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.36 O=C1CCC2CNCC2C1 Q55052 [0,0,0,1,0,0|2,0,0]=3 68 B11R2.36 O=C1CC[C@H]2COC[C@H]2C1 Q63051 [0,0,0,1,0,0|2,0,0]=3 69 B11R2.36 O=C1CN2CCCC2CN1 Q63019 [0,0,0,1,0,0|3,0,0]=4 70 B11R2.36 O=C1CN2CCC[C@@H]2CN1 Q63020 [0,0,0,1,0,0|3,0,0]=4 71 B11R2.36 O=C1CN2CCC[C@H]2CN1 Q63021 [0,0,0,1,0,0|3,0,0]=4 72 B11R2.36 [C@@H]12CNC[C@@H]1CC(=O)NC2 Q61321 [0,0,0,1,0,0|3,0,0]=4 73 B11R2.106 O=C1CCNC2CCCC12 Q52630 [0,0,0,1,0,0|2,0,0]=3 74 B11R2.106 O=C1CNCC2CCCN12 P51662 [0,0,0,1,0,0|2,0,0]=3 75 B11R2.106 O=C1OCCC2CCNC12 Q57853 [0,0,0,1,0,0|3,0,0]=4 76 B11R2.106 O=C1OCCC2CCNC12 Q57854 [0,0,0,1,0,0|3,0,0]=4 77 B11R2.106 [C@@H]12CCCN1C(=O)CNC2 O34528 [0,0,0,1,0,0|2,0,0]=3 78 B11R2.434 O=C1CC2CC(O)C(C1)N2 P46887 [0,0,0,1,0,0|3,0,0]=4 79 B11R2.434 O=C1C[C@H]2C[C@H](O)[C@@H](C1)O2 P44915 [0,0,0,1,0,0|3,0,0]=4 80 B11R2.678 N[C@@H]1C[C@H]2CCC[C@H](C2)C1 F-4876 [0,0,0,1,0,0|2,0,1]=4 81 B11R2.678 O=C1CC2CCCN(C1)C2 P45806 [0,0,0,1,0,0|2,0,0]=3 82 B11R2.678 O=C1CC2COCC(C1)N2 G-6367 [0,0,0,1,0,0|3,0,0]=4 83 B11R2.678 O=C1CC2CSCC(C1)N2 G-5789 [0,0,0,1,0,0|3,0,0]=4 84 B11R2.678 O=C1CC2CSCC(C1)N2 Q52447 [0,0,0,1,0,0|3,0,0]=4 85 B11R2.1478 O=C1CCCC2(CCC2)C1 Q61510 [0,0,0,1,0,0|1,0,0]=2 86 B11R2.1478 O=C1CCNC2(CCC2)C1 Q54126 [0,0,0,1,0,0|2,0,0]=3 87 B11R2.1478 O=C1CCNC2(CCC2)C1 Q54127 [0,0,0,1,0,0|2,0,0]=3 88 B11R2.1478 O=C1CCOC2(CCC2)C1 Q55923 [0,0,0,1,0,0|2,0,0]=3 89 B11R2.1478 O=C1CCOC2(CNC2)C1 Q55870 [0,0,0,1,0,0|3,0,0]=4 90 B11R2.1478 O=C1CCOC2(COC2)C1 Q55912 [0,0,0,1,0,0|3,0,0]=4 91 B11R2.1478 O=C1CNCC2(CCC2)N1 L22045 [0,0,0,1,0,0|2,0,0]=3 92 B11R2.1478 O=C1CNCC2(CCC2)N1 O33058 [0,0,0,1,0,0|2,0,0]=3 93 B11R2.1478 O=C1COCC2(CNC2)N1 Q64692 [0,0,0,1,0,0|3,0,0]=4 94 B11R2.1478 O=C1NC2(CCO1)CNC2 Q55863 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.33 CCC[C@@H]1CNC[C@@H]1O Q62155 [0,0,0,0,1,0|1,0,2]=4 96 B9R1.33 CCC[C@@H]1CNC[C@H]1O Q62154 [0,0,0,0,1,0|1,0,2]=4 97 B9R1.33 CN1CCCC1CCBr Q59209 [0,0,0,0,1,0|3,0,0]=4 98 B9R1.33 CN1CCC[C@@H]1CCN L14303 [0,0,0,0,1,0|3,0,0]=4 99 B9R1.33 CN1CCC[C@@H]1CCN P44362 [0,0,0,0,1,0|3,0,0]=4 100 B9R1.33 CN1CCC[C@@H]1CCO Q54913 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.33 CN1CCC[C@H]1CCN L14623 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.33 CN1CCC[C@H]1CCN Q52448 [0,0,0,0,1,0|3,0,0]=4 103 B9R1.33 CN1CCC[C@H]1CCO Q54914 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.33 CNCC1CCCN1C L18260 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.33 CNCC1CCCN1C Q61641 [0,0,0,0,1,0|3,0,0]=4 106 B9R1.33 COCC1CCCC1=O O31995 [0,0,0,0,1,0|1,0,0]=2 107 B9R1.33 COC[C@@H]1CCCN1N 10743 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.33 NC1CCCC1CCO L19791 [0,0,0,0,1,0|2,0,1]=4 109 B9R1.33 NCCN1CCCC1=O P39375 [0,0,0,0,1,0|2,0,0]=3 110 B9R1.33 NCCN1CCOC1=O M22885 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.33 O=C1CCCN1CCBr M23139 [0,0,0,0,1,0|2,0,0]=3 112 B9R1.33 O=C1OCCC1CCBr Q69615 [0,0,0,0,1,0|2,0,0]=3 113 B8R0.4 NCCCCCCCO P40165 [1,0,1,0,0,0|1,0,1]=4 114 B8R0.7 C#CCCCCC(=O)O P38906 [1,0,1,0,0,0|0,0,2]=4 115 B8R0.7 CNCCCCC(=O)O P35932 [1,0,1,0,0,0|1,0,0]=3 116 B8R0.7 NCCOCCC(=O)O P41214 [1,0,1,0,0,0|2,0,0]=4 117 B8R0.1 C=CCOC(=O)CCC Q69608 [1,0,1,0,0,0|0,0,2]=4 118 B8R0.1 CCCNC(=O)CCN P42190 [1,0,1,0,0,0|2,0,0]=4 119 B8R0.1 CCCNC(=O)CNC P35278 [1,0,1,0,0,0|2,0,0]=4 120 B8R0.1 CCCNC(=O)CNC P42832 [1,0,1,0,0,0|2,0,0]=4 121 B8R0.22 CCCC(CBr)CCC O29610 [1,0,1,0,0,0|1,0,1]=4 122 B8R1.2 CCC1CNCCO1 B-1069 [2,0,0,0,0,0|1,0,1]=4 123 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [2,0,0,0,0,0|1,0,1]=4 124 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [2,0,0,0,0,0|2,0,0]=4 125 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [2,0,0,0,0,0|1,0,1]=4 126 B8R1.2 CC[C@H]1CCCNC1 Q61421 [2,0,0,0,0,0|2,0,0]=4 127 B8R1.2 CC[C@H]1CNCCO1 B-1070 [2,0,0,0,0,0|1,0,1]=4 128 B8R1.2 NCC1CCC=CO1 Q65014 [2,0,0,0,0,0|1,0,1]=4 129 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [2,0,0,0,0,0|1,0,1]=4 130 B8R1.2 NC[C@H]1CCC=CO1 Q65015 [2,0,0,0,0,0|1,0,1]=4 131 B8R1.2 NC[C@H]1CCCCO1 Q62568 [2,0,0,0,0,0|1,0,1]=4 132 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [2,0,0,0,0,0|1,0,1]=4 133 B8R1.2 OC[C@H]1CCCCO1 P43928 [2,0,0,0,0,0|1,0,1]=4 134 B8R1.4 CC1CC(=O)CCN1 D-2514 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.4 CC1CC(=O)CCO1 A-836 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.4 CC1CCNC(=O)C1 L13355 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.4 NC1CCCC(=O)C1 P48005 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.4 O=C1CCCC(Br)C1 P45384 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.4 O=C1CCCC(F)C1 P43987 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.4 O=C1CCCC(O)C1 L18346 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [2,0,0,0,0,0|2,0,0]=4 151 B10R0.4 CCCCCCCCB(O)O Q66526 [0,1,1,0,0,0|1,0,1]=4 152 B10R0.4 NCCCCCCCC(=O)O P43125 [0,1,1,0,0,0|0,0,0]=2 153 B10R0.4 NCCOCCOCC(=O)O P41563 [0,1,1,0,0,0|2,0,0]=4 154 B10R0.4 O=C(O)COCCOCCO P37674 [0,1,1,0,0,0|2,0,0]=4 155 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O 10123 [0,1,1,0,0,0|2,0,0]=4 156 B10R0.74 COC(=O)CCCCCCBr P37550 [0,1,1,0,0,0|1,0,0]=3 157 B10R0.74 COC(=O)CCCCCCN P40404 [0,1,1,0,0,0|1,0,0]=3 158 B10R0.75 C=CCCCCC(N)C(=O)O P41837 [0,1,1,0,0,0|0,0,2]=4 159 B10R0.75 C=CCCCC[C@@H](N)C(=O)O P41494 [0,1,1,0,0,0|0,0,2]=4 160 B10R0.75 C=CCCCC[C@H](N)C(=O)O P42572 [0,1,1,0,0,0|0,0,2]=4 161 B10R0.75 CCCCCC[C@@H](N)C(=O)O P42769 [0,1,1,0,0,0|0,0,0]=2 162 B10R0.75 CCCCCC[C@H](N)C(=O)O P42483 [0,1,1,0,0,0|0,0,0]=2 163 B10R0.78 CCCCC(=O)NCC(=O)O M15457 [0,1,1,0,0,0|1,0,1]=4 164 B10R0.1 COCCCOC(=O)CC#N P39734 [0,1,1,0,0,0|1,0,1]=4 165 B10R1.2 CN1C(=O)CCCC1CN H-8666 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.2 CN1C(=O)CCCC1CN L13186 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.2 CN1C(=O)CCCC1CO Q65296 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.15 CCC(N)C1CCCCC1 P45080 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.17 BrCCCC1CCCCC1 P38702 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.17 CCOCC1CCCNC1 Q60046 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.17 CCOCC1CCCNC1 S72607 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.17 CNCCC1CCCCC1 P34718 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.17 CNCCC1CCCCC1 P35769 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.17 ICCCC1CCCCC1 P41134 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.17 N#CCCC1CCCCO1 Q57794 [1,1,0,0,0,0|0,0,2]=4 176 B10R1.17 NCCCC1CCCCC1 P34722 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.17 OCCCC1CCCCC1 P42600 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.18 CC(C)CC1CCCNC1 Q59857 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.16 COCCN1CCC(=O)C1 Q59377 [0,1,0,0,1,0|2,0,0]=4 180 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 Q70109 [0,1,0,0,1,0|2,0,0]=4 181 B12R1.17 CCOC(=O)C1CCCC(=O)C1 P44643 [0,2,0,0,0,0|1,0,1]=4 182 B12R1.17 CCOC(=O)[C@@H]1CCCC(=O)C1 P46419 [0,2,0,0,0,0|1,0,1]=4 183 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 P46418 [0,2,0,0,0,0|1,0,1]=4 184 B10R1.39 CC[C@H]1CNC[C@H]1C(=O)O Q53013 [0,0,1,1,0,0|1,0,0]=3 185 B10R1.39 CO[C@@H]1CCC[C@@H]1C(=O)O Q63428 [0,0,1,1,0,0|1,0,0]=3 186 B10R1.39 CO[C@@H]1CCC[C@H]1C(=O)O Q63430 [0,0,1,1,0,0|1,0,0]=3 187 B10R1.39 CO[C@@H]1CCN[C@@H]1C(=O)O Q64271 [0,0,1,1,0,0|2,0,0]=4 188 B10R1.39 CO[C@@H]1CCN[C@H]1C(=O)O Q64273 [0,0,1,1,0,0|2,0,0]=4 189 B10R1.39 CO[C@H]1CCC[C@@H]1C(=O)O Q63431 [0,0,1,1,0,0|1,0,0]=3 190 B10R1.39 CO[C@H]1CCC[C@H]1C(=O)O Q63429 [0,0,1,1,0,0|1,0,0]=3 191 B10R1.39 CO[C@H]1CCN[C@@H]1C(=O)O Q64274 [0,0,1,1,0,0|2,0,0]=4 192 B10R1.39 CO[C@H]1CCN[C@H]1C(=O)O Q64272 [0,0,1,1,0,0|2,0,0]=4 193 B10R1.39 O=C(O)C1CCCC1CF Q57285 [0,0,1,1,0,0|1,0,0]=3 194 B10R1.61 CC(=O)C1CCCCC1F Q53666 [0,0,1,1,0,0|2,0,0]=4 195 B10R1.61 CN1CCCC[C@@H]1C(=O)O P51590 [0,0,1,1,0,0|1,0,0]=3 196 B10R1.61 CN1CCCC[C@H]1C(=O)O Q65384 [0,0,1,1,0,0|1,0,0]=3 197 B10R1.61 CN1CCNCC1C(=O)O F-4533 [0,0,1,1,0,0|2,0,0]=4 198 B10R1.61 C[C@@H]1CC=CC[C@H]1C(=O)O P44470 [0,0,1,1,0,0|0,0,2]=4 199 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O B-1261 [0,0,1,1,0,0|2,0,0]=4 200 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O B-1260 [0,0,1,1,0,0|2,0,0]=4 201 B10R1.61 NC1CCCCC1C(=O)O P44627 [0,0,1,1,0,0|1,0,0]=3 202 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O O34530 [0,0,1,1,0,0|1,0,0]=3 203 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O P44580 [0,0,1,1,0,0|1,0,0]=3 204 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O P51569 [0,0,1,1,0,0|1,0,0]=3 205 B10R1.61 N[C@@H]1CCOC[C@@H]1C(=O)O Q54502 [0,0,1,1,0,0|2,0,0]=4 206 B10R1.61 N[C@@H]1CCOC[C@@H]1C(=O)O Q54503 [0,0,1,1,0,0|2,0,0]=4 207 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O P45461 [0,0,1,1,0,0|1,0,0]=3 208 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O Q70134 [0,0,1,1,0,0|1,0,0]=3 209 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O O34271 [0,0,1,1,0,0|1,0,0]=3 210 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O O34544 [0,0,1,1,0,0|1,0,0]=3 211 B10R1.61 N[C@H]1CCOC[C@H]1C(=O)O Q54604 [0,0,1,1,0,0|2,0,0]=4 212 B10R1.61 N[C@H]1CCOC[C@H]1C(=O)O Q54605 [0,0,1,1,0,0|2,0,0]=4 213 B10R1.61 O=C(O)C1CCCCC1O P45410 [0,0,1,1,0,0|1,0,0]=3 214 B10R1.61 O=C(O)C1CCNCC1F M23597 [0,0,1,1,0,0|2,0,0]=4 215 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O Q61223 [0,0,1,1,0,0|2,0,0]=4 216 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O Q70051 [0,0,1,1,0,0|2,0,0]=4 217 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O Q61220 [0,0,1,1,0,0|2,0,0]=4 218 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O Q61224 [0,0,1,1,0,0|2,0,0]=4 219 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Q61221 [0,0,1,1,0,0|2,0,0]=4 220 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Q61222 [0,0,1,1,0,0|2,0,0]=4 221 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O Q70050 [0,0,1,1,0,0|2,0,0]=4 222 B10R1.66 CC(=O)CCC1CCCC1 Q59160 [0,0,1,1,0,0|1,0,0]=3 223 B10R1.66 O=C(O)CCC1CCNC1 P35779 [0,0,1,1,0,0|1,0,0]=3 224 B10R1.66 O=C(O)CCC1OCCO1 M15867 [0,0,1,1,0,0|2,0,0]=4 225 B10R1.66 O=C(O)CCN1CCCC1 10113 [0,0,1,1,0,0|1,0,0]=3 226 B10R1.66 O=C(O)CCN1CCCC1 P41136 [0,0,1,1,0,0|1,0,0]=3 227 B10R1.66 O=C(O)CC[C@H]1CCCN1 Q59292 [0,0,1,1,0,0|1,0,0]=3 228 B10R1.66 O=C(O)COC1CCCC1 P34810 [0,0,1,1,0,0|1,0,0]=3 229 B10R1.66 O=C(O)\C=C\C1CCCC1 Q60762 [0,0,1,1,0,0|0,0,2]=4 230 B10R1.86 CCCN1CCC1C(=O)O P48974 [0,0,1,1,0,0|1,0,0]=3 231 B10R1.86 CCCN1CC[C@H]1C(=O)O L14234 [0,0,1,1,0,0|1,0,0]=3 232 B10R1.86 O=C(O)[C@@H]1CCN1CCF L14458 [0,0,1,1,0,0|2,0,0]=4 233 B10R1.127 O=C(O)CCCC1CCC1 P45608 [0,0,1,1,0,0|0,0,0]=2 234 B10R1.348 O=C(O)C1CCCNCC1 C-2768 [0,0,1,1,0,0|1,0,0]=3 235 B10R1.348 O=C(O)[C@@H]1CCCCCN1 Q62626 [0,0,1,1,0,0|1,0,0]=3 236 B10R1.348 O=C(O)[C@H]1CCCCCN1 Q62627 [0,0,1,1,0,0|1,0,0]=3 237 B10R1.11 NCCC(=O)N1CCCC1 P36713 [0,0,1,1,0,0|2,0,0]=4 238 B10R1.11 O=C(CCCl)N1CCCC1 P36937 [0,0,1,1,0,0|2,0,0]=4 239 B10R1.137 CCOC(=O)CC1CCC1 O32497 [0,0,1,1,0,0|2,0,0]=4 240 B10R1.227 CCC1(CC(=O)O)CCC1 P43812 [0,0,1,1,0,0|2,0,0]=4 241 B10R1.227 COC1(CC(C)=O)CCC1 P49971 [0,0,1,1,0,0|2,0,0]=4 242 B10R1.27 CCC(=O)NC1CCNC1 Q59387 [0,0,1,1,0,0|2,0,0]=4 243 B10R1.27 COC(=O)CC1CCCC1 P39146 [0,0,1,1,0,0|2,0,0]=4 244 B10R2.20 CN1C2CCC1C(=O)C2 P44050 [1,0,0,1,0,0|2,0,0]=4 245 B10R2.62 O=C1CC2CCC1CC2 P45854 [1,0,0,1,0,0|1,0,0]=3 246 B10R2.62 O=C1CC2CCC1CN2 O33230 [1,0,0,1,0,0|2,0,0]=4 247 B10R2.62 O=C1CN2CCC1CC2 P44564 [1,0,0,1,0,0|2,0,0]=4 248 B10R2.62 O=C1NC2CCC1CC2 G-7914 [1,0,0,1,0,0|1,0,0]=3 249 B10R2.71 O=C1CC2CCC(C1)C2 G-7015 [1,0,0,1,0,0|1,0,0]=3 250 B10R2.71 O=C1CC2CCC(C1)N2 C-3492 [1,0,0,1,0,0|2,0,0]=4 251 B10R2.71 O=C1CC2CCC(C1)O2 G-6882 [1,0,0,1,0,0|2,0,0]=4 252 B10R2.71 O=C1CC2CNC(C1)C2 P48499 [1,0,0,1,0,0|2,0,0]=4 253 B10R2.319 CN1C2CC(=O)CC1C2 P46883 [1,0,0,1,0,0|2,0,0]=4 254 B10R2.534 O=C1CCCC2(CC2)C1 L22282 [1,0,0,1,0,0|1,0,0]=3 255 B10R2.534 O=C1CCCC2(CC2)N1 Q54160 [1,0,0,1,0,0|1,0,0]=3 256 B10R2.534 O=C1CCNC2(CC2)C1 H-8331 [1,0,0,1,0,0|2,0,0]=4 257 B10R2.534 O=C1CCNC2(CC2)C1 Q52727 [1,0,0,1,0,0|2,0,0]=4 258 B10R2.534 O=C1CNCC2(CC2)N1 Q51994 [1,0,0,1,0,0|2,0,0]=4 259 B10R2.534 O=C1CNCC2(CC2)N1 Q51995 [1,0,0,1,0,0|2,0,0]=4 260 B10R2.534 O=C1COCC2(CC2)N1 Q54115 [1,0,0,1,0,0|2,0,0]=4 261 B10R2.6 C1COC(C2CC2)CN1 P42784 [1,0,0,1,0,0|1,0,1]=4 262 B10R2.7 C1CC2CCNCC2C1 Q56925 [1,0,0,1,0,0|2,0,0]=4 263 B10R2.7 C1CC2NCCOC2C1 Q57305 [1,0,0,1,0,0|1,0,1]=4 264 B10R2.7 C1CNC2CCCC2C1 Q57316 [1,0,0,1,0,0|1,0,1]=4 265 B10R2.7 C1C[C@@H]2NCCO[C@@H]2C1 Q52881 [1,0,0,1,0,0|1,0,1]=4 266 B10R2.7 C1C[C@@H]2NCCO[C@@H]2C1 Q52882 [1,0,0,1,0,0|1,0,1]=4 267 B10R2.7 C1C[C@@H]2NCCO[C@H]2C1 Q52884 [1,0,0,1,0,0|1,0,1]=4 268 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 Q52880 [1,0,0,1,0,0|1,0,1]=4 269 B10R2.7 C1C[C@H]2NCCO[C@@H]2C1 Q52883 [1,0,0,1,0,0|1,0,1]=4 270 B10R2.409 C1CC2COC(C1)CN2 P48769 [1,0,0,1,0,0|1,0,1]=4 271 B10R2.484 C1CC2(C1)CNCCO2 O33443 [1,0,0,1,0,0|1,0,1]=4 272 B10R2.484 C1CCC2(CCC2)NC1 G-5037 [1,0,0,1,0,0|1,0,1]=4 273 B10R2.484 C1CCC2(CCC2)NC1 G-5704 [1,0,0,1,0,0|1,0,1]=4 274 B10R2.484 C1CCC2(CNC2)OC1 L13431 [1,0,0,1,0,0|1,0,1]=4 275 B10R2.484 C1CNCC2(C1)CCC2 G-6681 [1,0,0,1,0,0|2,0,0]=4 276 B10R2.484 C1CNCC2(C1)CCC2 Q58122 [1,0,0,1,0,0|2,0,0]=4 277 B10R2.2 O=C1CC2CCOC2O1 Q59460 [0,0,0,1,1,0|1,0,0]=3 278 B10R2.2 O=C1CC2CNCC2N1 Q55263 [0,0,0,1,1,0|2,0,0]=4 279 B10R2.2 O=C1CC2CSCC2C1 G-7777 [0,0,0,1,1,0|2,0,0]=4 280 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 Q64138 [0,0,0,1,1,0|2,0,0]=4 281 B10R2.2 O=C1C[C@@H]2COC[C@H]2C1 Q64139 [0,0,0,1,1,0|2,0,0]=4 282 B10R2.2 O=C1C[C@H]2CCC[C@H]2N1 Q61894 [0,0,0,1,1,0|1,0,0]=3 283 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 I-9320 [0,0,0,1,1,0|2,0,0]=4 284 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 L14391 [0,0,0,1,1,0|2,0,0]=4 285 B10R2.2 [C@H]12CNC[C@H]1NC(=O)C2 Q52185 [0,0,0,1,1,0|2,0,0]=4 286 B10R2.32 O=C1CCN2CCCC12 Q59293 [0,0,0,1,1,0|2,0,0]=4 287 B10R2.332 O=C1CCC2(CNC2)N1 F-4833 [0,0,0,1,1,0|2,0,0]=4 288 B10R2.332 O=C1CCC2(CNC2)N1 I-9763 [0,0,0,1,1,0|2,0,0]=4 289 B10R2.332 O=C1CCC2(COC2)C1 Q64137 [0,0,0,1,1,0|2,0,0]=4 290 B10R2.332 O=C1COC2(CCC2)C1 Q55884 [0,0,0,1,1,0|2,0,0]=4 291 B10R2.332 O=C1NCC2(CCC2)O1 G-6938 [0,0,0,1,1,0|1,0,0]=3 292 B10R2.41 O=C1C2CCC1CNC2 G-6337 [0,0,0,1,1,0|1,0,0]=3 293 B10R2.41 O=C1C2CCC1CNC2 P45912 [0,0,0,1,1,0|1,0,0]=3 294 B10R2.41 O=C1C2CNCC1OC2 P43899 [0,0,0,1,1,0|2,0,0]=4 295 B10R2.41 O=C1[C@@H]2CNC[C@H]1OC2 P48317 [0,0,0,1,1,0|2,0,0]=4 296 B10R2.41 O=C1[C@H]2CNC[C@@H]1OC2 P48361 [0,0,0,1,1,0|2,0,0]=4 297 B10R2.190 O=C1CNCC12CNC2 Q53875 [0,0,0,1,1,0|2,0,0]=4 298 B10R2.190 O=C1NCCC12CCC2 Q54123 [0,0,0,1,1,0|1,0,0]=3 299 B10R2.190 O=C1NCCC12CNC2 L14483 [0,0,0,1,1,0|2,0,0]=4 300 B10R2.190 O=C1NCCC12CNC2 L14515 [0,0,0,1,1,0|2,0,0]=4 301 B10R2.190 O=C1NCCC12COC2 Q54770 [0,0,0,1,1,0|2,0,0]=4 302 B12R2.229 O=C1CCNCC2CCCN12 F-4412 [0,0,0,1,0,1|1,0,0]=3 303 B12R2.594 O=C1CC2CCCC(CN1)N2 P49370 [0,0,0,1,0,1|2,0,0]=4 304 B12R2.1019 O=C1NC2CCCC1CNC2 P44703 [0,0,0,1,0,1|1,0,0]=3 305 B12R2.455 O=C1CNCC2CCCN1C2 P50013 [0,0,0,1,0,1|2,0,0]=4 306 B12R2.82 CN1C(=O)CCC2CNCC21 Q61158 [0,1,0,1,0,0|2,0,0]=4 307 B12R2.1081 O=C1CCCN2CCCCC12 Q59929 [0,1,0,1,0,0|2,0,0]=4 308 B12R2.1081 O=C1CNCC2CCCCN12 F-4462 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.1081 O=C1COCC2CNCCN12 P44893 [0,1,0,1,0,0|2,0,0]=4 310 B12R2.1081 O=C1COCC2CNCCN12 Q52049 [0,1,0,1,0,0|2,0,0]=4 311 B12R2.1081 O=C1COC[C@@H]2CNCCN12 Q52050 [0,1,0,1,0,0|2,0,0]=4 312 B12R2.1081 O=C1COC[C@@H]2CNCCN12 Q52051 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.1081 O=C1COC[C@H]2CNCCN12 L14557 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.1081 O=C1COC[C@H]2CNCCN12 Q52052 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.1081 O=C1NCCC2CNCCN12 Q58057 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.1081 O=C1OCCC2CNCCN12 Q58056 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.1154 [C@H]12CCC[C@H](CC(=O)C1)N2C L13639 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.5464 CN1C(=O)CNCC12CCC2 Q63822 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.24 O=C1CCC2NCCCC2N1 Q61229 [0,1,0,1,0,0|1,0,0]=3 320 B12R2.24 O=C1CCN2CCOCC2C1 Q52540 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.24 O=C1CNC2CCCCC2N1 Q58043 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.5121 O=C1CC2(CCNC2)CCN1 Q65239 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.5121 O=C1CCCC2(C1)OCCO2 L13561 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.5121 O=C1CCNC2(CCCC2)C1 Q59157 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.5121 O=C1CCOC2(CCCC2)C1 L18200 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.5121 O=C1CCOC2(CCOC2)C1 Q54788 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.5121 O=C1CNCC2(CCCC2)N1 Q54120 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.5121 O=C1NC2(CCNC2)CCO1 Q56493 [0,1,0,1,0,0|2,0,0]=4 329 B12R2.5121 O=C1NC2(CCNC2)CCO1 Q56494 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.2899 C=C1CC2CC(=O)CC(C1)C2 M23502 [0,1,0,1,0,0|1,0,1]=4 331 B12R2.2899 C=C1CC2CC(N)CC(C1)C2 M23719 [0,1,0,1,0,0|2,0,0]=4 332 B12R2.3022 O=C1CC(=O)CC2(CCC2)C1 Q55509 [0,1,0,1,0,0|1,0,1]=4 333 B12R2.3022 O=C1CC(=O)NC2(CCC2)C1 Q56211 [0,1,0,1,0,0|1,0,1]=4 334 B12R2.3934 CN1CCC(=O)CC12CCC2 Q54128 [0,1,0,1,0,0|2,0,0]=4 335 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,0,1,0,1,0|2,0,0]=4 336 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,0,1,0,1,0|2,0,0]=4 337 B8R0.3 CCCC(N)C(=O)OC P43113 [0,0,1,0,1,0|2,0,0]=4 338 B8R1.1 NCC1CNC(=O)O1 F-4726 [1,0,0,0,1,0|2,0,0]=4 339 B8R1.1 NCC1CNC(=O)O1 L13152 [1,0,0,0,1,0|2,0,0]=4 340 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [1,0,0,0,1,0|2,0,0]=4 341 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [1,0,0,0,1,0|2,0,0]=4 342 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [1,0,0,0,1,0|2,0,0]=4 343 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [1,0,0,0,1,0|2,0,0]=4 344 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [1,0,0,0,1,0|2,0,0]=4 345 B8R1.1 O=C1CCC(CO)C1 Q62791 [1,0,0,0,1,0|2,0,0]=4 346 B8R1.1 O=C1CCC(CO)N1 M23573 [1,0,0,0,1,0|2,0,0]=4 347 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [1,0,0,0,1,0|2,0,0]=4 348 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [1,0,0,0,1,0|2,0,0]=4 349 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [1,0,0,0,1,0|2,0,0]=4 350 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [1,0,0,0,1,0|2,0,0]=4 351 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [1,0,0,0,1,0|1,0,0]=3 352 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [1,0,0,0,1,0|2,0,0]=4 353 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [1,0,0,0,1,0|2,0,0]=4 354 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [1,0,0,0,1,0|2,0,0]=4 355 B8R1.1 O=C1NCC(CO)O1 F-4693 [1,0,0,0,1,0|2,0,0]=4 356 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [1,0,0,0,1,0|2,0,0]=4 357 B8R1.11 CNC1CCNC1=O L20781 [1,0,0,0,1,0|2,0,0]=4 358 B8R1.11 O=C1NCCC1CO L13115 [1,0,0,0,1,0|2,0,0]=4 359 B8R1.8 BrCCC1CCCC1 P40215 [1,0,0,0,1,0|1,0,1]=4 360 B8R1.8 CNCC1CCCC1 P38031 [1,0,0,0,1,0|1,0,1]=4 361 B8R1.8 CNC[C@@H]1CCCN1 P49799 [1,0,0,0,1,0|2,0,0]=4 362 B8R1.8 CNC[C@H]1CCCN1 P45316 [1,0,0,0,1,0|2,0,0]=4 363 B8R1.8 COCC1CCCN1 O28849 [1,0,0,0,1,0|2,0,0]=4 364 B8R1.8 COC[C@@H]1CCCN1 L14013 [1,0,0,0,1,0|2,0,0]=4 365 B8R1.8 COC[C@H]1CCCN1 P35868 [1,0,0,0,1,0|2,0,0]=4 366 B8R1.8 ICCC1OCCO1 P35885 [1,0,0,0,1,0|2,0,0]=4 367 B8R1.8 NCCC1CCCC1 P37297 [1,0,0,0,1,0|1,0,1]=4 368 B8R1.8 OCCC1CCCC1 P36182 [1,0,0,0,1,0|1,0,1]=4 369 B8R1.8 OCCC1CCCN1 G-5919 [1,0,0,0,1,0|2,0,0]=4 370 B8R1.6 CCCC1CC(=O)C1 P45457 [0,0,0,0,2,0|1,0,0]=3 371 B8R1.6 CCOC1CC(=O)C1 P45782 [0,0,0,0,2,0|2,0,0]=4 372 B8R1.6 COCC1CC(=O)C1 P42770 [0,0,0,0,2,0|2,0,0]=4