0 B9R0.45 C#CCOCCOCCN P34922 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.45 NCCCCCCCCO P40196 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.45 NCCOCCOCCO P36924 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.45 OCCOCCOCCBr P37295 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.45 OCCOCCOCCI P36988 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.4 NCCCCCCCO P40165 [1,0,0,0,0,0|2,0,0]=3 6 B10R0.1 CCCCCCN(C)CCO Q66066 [0,1,0,0,0,0|3,0,0]=4 7 B10R0.71 COCCOCCOCCN P36305 [0,1,0,0,0,0|3,0,0]=4 8 B10R0.71 NCCCCCCCCCO P42705 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.4 CCCN1CCNC[C@@H]1C O34549 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.17 NCCCC1CCCCC1 P34722 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.20 CCC1CCCCC1CN Q59835 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.20 NCC1CCCCC1CF Q59508 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.21 CCCCCC1CCCN1 Q59373 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.21 CCCCCC1CCCN1 Q59374 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.29 CCCC[C@@H]1CNC[C@H]1O Q62157 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.85 NCCC1CCCCCC1 P38052 [0,0,0,1,0,0|3,0,0]=4 17 B7R0.1 C#CCNCCCN P36031 [2,0,0,0,0,0|1,0,1]=4 18 B7R0.1 CCCCNCC#N P38905 [2,0,0,0,0,0|0,0,2]=4 19 B7R0.1 CCCCOCCN P36925 [2,0,0,0,0,0|1,0,0]=3 20 B7R0.1 COCCOCCN P38878 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.1 NCCCOCCO P34738 [2,0,0,0,0,0|2,0,0]=4 22 B9R0.5 CCCCCN(C)CCO Q66064 [1,1,0,0,0,0|2,0,0]=4 23 B9R1.8 CCCC1CCCNC1 Q59858 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.8 CCCC1CCNCC1 M22635 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.8 CCOC1CCCNC1 P42499 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.8 FCCC1CCCNC1 Q57445 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.8 FCCC1CCNCC1 Q57446 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.8 FCCC1CCNCC1 Q57447 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.8 FCCN1CCNCC1 H-8967 [1,0,0,1,0,0|1,0,0]=3 31 B9R1.8 FCCN1CCNCC1 P42708 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.8 N#CCC1CNCCN1 K13387 [1,0,0,1,0,0|0,0,2]=4 33 B9R1.8 N#CC[C@@H]1CNCCN1 Q53592 [1,0,0,1,0,0|0,0,2]=4 34 B9R1.8 N#CC[C@H]1CNCCN1 Q53174 [1,0,0,1,0,0|0,0,2]=4 35 B9R1.8 NCCC1CCCCC1 P34723 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.8 NCCC1CCCCO1 P38225 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.8 NCCC1CCCOC1 S72503 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.8 NCCC1CCOCC1 G-5344 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.8 NCCC1CCSCC1 Q56858 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.8 NCCC1COCCN1 O27851 [1,0,0,1,0,0|1,0,0]=3 41 B9R1.8 OCCC1CCCNC1 P36369 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.8 OCCC1CCNCC1 P45391 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.8 OCCC1CNCCN1 P38723 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.8 OCCC1CNCCO1 O28277 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.8 OCCC1COCCN1 O27853 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.8 OCC[C@@H]1CCCCN1 O33566 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.8 OCC[C@@H]1COCCN1 P35095 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.8 OCC[C@H]1CNCCN1 K12326 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.8 OCC[C@H]1COCCN1 P36209 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.12 CCCOC1CCNC1 P34911 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.12 CCCO[C@@H]1CCNC1 P35814 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.12 CCCO[C@H]1CCNC1 P35519 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.12 NCCCC1CCCC1 O33622 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.12 NCCCC1CCCC1 P37126 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.12 OCCC[C@@H]1CCCN1 Q57415 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.14 CCN1CCCC1CN I-9237 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.15 CCN1CCNCC1=O A-474 [1,0,0,1,0,0|1,0,1]=4 58 B9R1.15 CCN1CCNC[C@H]1C O34272 [1,0,0,1,0,0|1,0,0]=3 59 B9R1.15 CCN1CCNC[C@H]1C P51493 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.15 C[C@@H]1OCCN[C@H]1CO B-1259 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.15 C[C@H]1OCCN[C@@H]1CO B-1258 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.15 FC[C@@H]1CCNC[C@@H]1F Q64656 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.15 NCC1COCCC1N Q57608 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.15 NC[C@@H]1CCCC[C@H]1O P45462 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.15 NC[C@@H]1CCNC[C@@H]1O L18141 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.15 NC[C@@H]1CCNC[C@@H]1O Q56496 [1,0,0,1,0,0|1,0,0]=3 67 B9R1.15 NC[C@@H]1CCNC[C@H]1O L18190 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.15 NC[C@@H]1CCNC[C@H]1O Q56625 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.15 NC[C@H]1CCCC[C@H]1N Q59475 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.15 N[C@@H]1CCCC[C@H]1CO P44649 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.15 N[C@@H]1CCCC[C@H]1CO P45460 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.15 N[C@H]1CCCC[C@H]1CO P46191 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.15 OC[C@@H]1CCNC[C@@H]1F M23404 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.15 OC[C@@H]1CCNC[C@@H]1F Q65308 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.15 OC[C@@H]1CCNC[C@@H]1O I-9940 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.15 OC[C@@H]1CCNC[C@@H]1O O33285 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.15 OC[C@@H]1CCNC[C@H]1F Q65310 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.15 OC[C@H]1CCNC[C@@H]1F Q65236 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.15 OC[C@H]1CCNC[C@@H]1F Q65309 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.15 OC[C@H]1CCNC[C@@H]1O P44729 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.15 OC[C@H]1CCNC[C@H]1F G-7747 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.15 OC[C@H]1NCCC[C@@H]1O Q53227 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.17 NCCOCC1CCC1 P44970 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.33 CCC[C@@H]1CNC[C@@H]1O Q62155 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.33 CCC[C@@H]1CNC[C@H]1O Q62154 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.33 NC1CCCC1CCO L19791 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.33 NCCN1CCCC1=O P39375 [1,0,0,1,0,0|1,0,1]=4 88 B11R1.4 NCCCCCN1CCCC1 P36467 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.4 NCCCCCN1CCCC1 Q61772 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.16 CN(CCN)C1CCCCC1 H-8714 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.189 CCC1CCCN(CCN)C1 Q57514 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.57 CC(C)CN1CCC[C@@H]1CN Q59237 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.57 CC(C)CN1CCC[C@H]1CN Q59325 [0,1,0,1,0,0|2,0,0]=4 94 B11R2.10 F[C@@H]1C[C@@H]2CNCCN2C1 Q63875 [0,0,0,2,0,0|2,0,0]=4 95 B11R2.10 F[C@@H]1C[C@H]2CNCCN2C1 Q63873 [0,0,0,2,0,0|2,0,0]=4 96 B11R2.10 F[C@H]1C[C@@H]2CNCCN2C1 Q63874 [0,0,0,2,0,0|2,0,0]=4 97 B11R2.10 F[C@H]1C[C@H]2CNCCN2C1 Q63876 [0,0,0,2,0,0|2,0,0]=4 98 B11R2.10 NC1CC2CCCCN2C1 Q59235 [0,0,0,2,0,0|2,0,0]=4 99 B11R2.10 OC1CC2CNCCN2C1 Q54754 [0,0,0,2,0,0|2,0,0]=4 100 B11R2.10 OC1CC2CNCCN2C1 Q54755 [0,0,0,2,0,0|2,0,0]=4 101 B11R2.10 [C@@H]12CNCCN1C[C@@H](O)C2 L21759 [0,0,0,2,0,0|2,0,0]=4 102 B11R2.10 [C@@H]12CNCCN1C[C@@H](O)C2 L22056 [0,0,0,2,0,0|2,0,0]=4 103 B11R2.10 [C@@H]12CNCCN1C[C@@H](O)C2 O33539 [0,0,0,2,0,0|2,0,0]=4 104 B11R2.10 [C@@H]12CNCCN1C[C@H](O)C2 Q56949 [0,0,0,2,0,0|2,0,0]=4 105 B11R2.10 [C@H]12CNCCN1C[C@@H](O)C2 Q56947 [0,0,0,2,0,0|2,0,0]=4 106 B11R2.10 [C@H]12CNCCN1C[C@@H](O)C2 Q56948 [0,0,0,2,0,0|2,0,0]=4 107 B11R2.10 [C@H]12CNCCN1C[C@H](O)C2 L21771 [0,0,0,2,0,0|2,0,0]=4 108 B11R2.10 [C@H]12CNCCN1C[C@H](O)C2 Q56935 [0,0,0,2,0,0|2,0,0]=4 109 B11R2.10 [C@H]12CNCCN1C[C@H](O)C2 Q56936 [0,0,0,2,0,0|2,0,0]=4 110 B11R2.20 C1CCN2CCNCC2C1 P38065 [0,0,0,2,0,0|2,0,0]=4 111 B11R2.20 C1CCN2CCNC[C@@H]2C1 L18360 [0,0,0,2,0,0|2,0,0]=4 112 B11R2.20 C1CCN2CCNC[C@H]2C1 L18243 [0,0,0,2,0,0|2,0,0]=4 113 B11R2.20 C1CCN2CCNC[C@H]2C1 L22240 [0,0,0,2,0,0|2,0,0]=4 114 B11R2.20 C1CN2CCOCC2CN1 G-7469 [0,0,0,2,0,0|2,0,0]=4 115 B11R2.20 C1CN2CCOCC2CN1 Q61064 [0,0,0,2,0,0|2,0,0]=4 116 B11R2.20 C1CN2CCOC[C@@H]2CN1 Q52053 [0,0,0,2,0,0|2,0,0]=4 117 B11R2.20 C1CN2CCOC[C@H]2CN1 Q52054 [0,0,0,2,0,0|2,0,0]=4 118 B11R2.20 [C@@H]12CCCCN1CCNC2 M22780 [0,0,0,2,0,0|2,0,0]=4 119 B11R2.20 [C@@H]12CCCCN1CCNC2 P40413 [0,0,0,2,0,0|2,0,0]=4 120 B11R2.20 [C@@H]12CCCN[C@@H]1CCCN2 I-9792 [0,0,0,2,0,0|2,0,0]=4 121 B11R2.20 [C@@H]12CCCN[C@@H]1CNCC2 G-5079 [0,0,0,2,0,0|2,0,0]=4 122 B11R2.20 [C@@H]12CCCN[C@@H]1CNCC2 Q56472 [0,0,0,2,0,0|2,0,0]=4 123 B11R2.20 [C@@H]12CCCN[C@H]1CNCC2 Q55799 [0,0,0,2,0,0|2,0,0]=4 124 B11R2.20 [C@@H]12CNCCN1CCOC2 G-7645 [0,0,0,2,0,0|2,0,0]=4 125 B11R2.20 [C@H]12CCCCN1CCNC2 M23154 [0,0,0,2,0,0|2,0,0]=4 126 B11R2.20 [C@H]12CCCN[C@H]1CCCN2 L22271 [0,0,0,2,0,0|2,0,0]=4 127 B11R2.20 [C@H]12CNCCN1CCOC2 G-7646 [0,0,0,2,0,0|2,0,0]=4 128 B11R2.402 C[C@@]12CCCN1CCNC2 F-4670 [0,0,0,2,0,0|2,0,0]=4 129 B11R2.402 C[C@]12CCCN1CCNC2 O33187 [0,0,0,2,0,0|2,0,0]=4 130 B11R2.402 C[C@]12CCCN1CCNC2 Q52074 [0,0,0,2,0,0|2,0,0]=4 131 B11R2.18 C1CNCC2CCCN2C1 L21822 [0,0,0,2,0,0|2,0,0]=4 132 B11R2.36 NC1CCC2CCCN2C1 Q53649 [0,0,0,2,0,0|2,0,0]=4 133 B11R2.1098 NCC12CCCN1CCC2 L22159 [0,0,0,2,0,0|2,0,0]=4 134 B11R2.239 C1CNCC(N2CCC2)C1 P41806 [0,0,0,2,0,0|2,0,0]=4 135 B11R2.1242 C1CNCCC2(C1)CCN2 Q53992 [0,0,0,2,0,0|2,0,0]=4