0 B7R0.4 CCCCC[13C](=O)O 41454 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.4 C[S@](=O)CCCCN AT23964 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 NCCCCC(N)=O D77059 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.4 O=C(O)COCCBr C70239 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.4 O=C(O)COCCF AT25496 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 CC(=O)CCCN C77428 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.6 COCOCCN AC9200 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.6 CSCCN=C=O AT25543 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 NNCCCCO AB9420 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 O=CNCCCF AT22548 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.5 CC(C)C[C@@H](N)CCO AT14312 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.6 CCCCOC(=O)C=O 39366 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.6 COC(=O)C#CCCO AT15754 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.7 CC(=O)CCCN=[N+]=[N-] AC8739 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.7 CC(=O)NCCCON D77273 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.8 C#CCC[C@H](N)C(=O)O C70033 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.8 CCCCC(=O)C(=O)[O-] D88060 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.8 CSCC[C@H](N)C(N)=O F10892 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.8 NCCC[C@H](O)C(=O)O D76509 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.9 C=C[C@@H](N)CCC(=O)O F51879 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.9 NC[C@@H](N)CCC(=O)O AT25327 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.21 CCCCNS(N)(=O)=O D76849 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.21 O=P(O)(O)CCCCBr C70021 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.28 O=C(O)COCC(F)F AT25472 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.1 CO[C@@H]1C=CC(=O)C1 AT12708 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.1 C[C@@H]1CC[C@H](CO)N1 W10038 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.1 N#C[C@@H]1CCC(=O)N1 D72817 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.1 NCC1CCC(O)C1 D76686 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,0,0,1,0,0|1,0,0]=2 36 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.1 OCC1CCC(O)C1 D76829 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.1 OC[C@@H]1CC[C@H](F)C1 AT22253 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.1 OC[C@H]1CC[C@H](F)C1 AT22254 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,0,0,1,0,0|1,0,0]=2 42 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [0,0,0,1,0,0|1,0,1]=3 43 B8R1.4 C[C@H]1CNC[C@H](C)N1 C15745 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.4 C[C@H]1CNC[C@H](C)N1 P10621 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.4 C[C@H]1COC[C@H](C)N1 D72922 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.4 C[C@H]1COC[C@H](C)N1 F17621 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.4 N[C@@H]1CCC[C@H](F)C1 P18319 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.4 N[C@@H]1CCC[C@H](O)C1 W10001 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.4 N[C@H]1CCC[C@H](O)C1 W10002 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.6 CCOC1CC(=O)C1 D75215 [0,0,0,1,0,0|1,0,0]=2 52 B8R1.6 CCO[C@H]1C[C@@H](O)C1 AT13089 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.6 CCO[C@H]1C[C@H](N)C1 P13634 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.6 CCO[C@H]1C[C@H](O)C1 AT13088 [0,0,0,1,0,0|1,0,2]=4 55 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.7 CC(O)C1CCOC1 AT21453 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.7 C[C@H](N)[C@@H]1CCCO1 W15865 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.7 C[C@H](O)C1CCOC1 AT21454 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.7 C[C@H](O)C1CCOC1 AT21455 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.7 C[C@H](O)[C@@H]1CCCO1 E72115 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.7 O=C(O)[C@@H]1CCNN1 AT21725 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.7 O=C(O)[C@@H]1CCON1 D75847 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.19 CC1(C)CCC[C@@H]1N P21031 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.19 CC1(O)CCCC1N AT16546 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.19 C[C@H]1CCNS1(=O)=O AT12412 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.19 C[C@]1(O)CCC[C@@H]1N D77066 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.20 CC1CC1CC(=O)O E72880 [0,0,0,1,0,0|1,0,0]=2 69 B8R1.22 C[C@H]1CCNCCN1 91998 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.22 C[C@H]1CCNCCN1 91999 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.22 C[C@H]1CCOCCN1 33399 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.22 C[C@H]1CNCCCN1 D76103 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.22 C[C@H]1COCCCN1 AT11439 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.22 C[C@H]1COCCCN1 AT11440 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.22 F[C@H]1CCCCNC1 72488 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.22 F[C@H]1CCCCNC1 AT25232 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.22 F[C@H]1CCCCNC1 AT25234 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.22 O[C@H]1CCCCNC1 AT25228 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.22 O[C@H]1CCCCNC1 AT25231 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.22 O[C@H]1CCCNCC1 AT25235 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.22 O[C@H]1CCCNCC1 AT25242 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.22 SC1CCCCCC1 D76599 [0,0,0,1,0,0|0,1,1]=3 83 B8R1.31 CN(C)[C@H]1CC[C@@H]1N AT26494 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94393 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94399 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94401 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94392 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94395 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94397 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.31 O=C(O)C1CCC1O D74978 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.31 O=C(O)[C@@H]1CCC1=O 54673 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.34 CN(C)CC1CNC1 P12133 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.34 CN(C)C[C@H]1CCN1 D74974 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.34 O=C(O)CN1CCC1 D96863 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.35 O=C(O)COC1CC1 AT13750 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.43 C#CC1CC1C(=O)O D73586 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O AT22711 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,0,0,1,0,0|1,0,0]=2 105 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.43 COC1CC1C(=O)O C77471 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.43 NCC1CC1C(=O)O P17932 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O AT20753 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O AT20752 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.43 O=C(O)C1CC1CO D75978 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23907 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23914 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23915 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23906 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23912 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23913 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.72 CC1(C)CCCCN1 AT24207 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.72 C[C@]1(F)CCCNC1 73130 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.72 C[C@]1(O)CCCNC1 P19254 [0,0,0,1,0,0|1,0,2]=4 120 B8R1.72 N=S1(=O)CCNCC1 C77413 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.72 N=S1(=O)CCNCC1 C90199 [0,0,0,1,0,0|3,0,0]=4 122 B5R0.1 C[S@](=O)CCN AT24515 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.2 CCNCCS AT25561 [2,0,0,0,0,0|1,1,0]=4 124 B5R0.2 CCOCC=O AT18655 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.2 CNCCCF AT22549 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.2 NCCCCF D75976 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.2 NCCCCS AT25915 [2,0,0,0,0,0|1,1,0]=4 128 B5R0.2 O=CCCCBr AT24507 [2,0,0,0,0,0|1,0,0]=3 129 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.3 CCONC(=O)CO AT24923 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.3 C\C=C(/C)CCCC T72329 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.3 O=C(CO)NCCO D86391 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.6 C[C@H](N)CCC(=O)O D75535 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.6 O=C(O)CCC(F)F P19183 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.8 CP(C)(=O)CCCN AT13346 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.8 CP(C)(=O)CCCN AT13377 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.1 C#CCCCCCN D76475 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.1 CCCNNCCC D79943 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.1 NCCC\C=C\CO AT22200 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.7 CCC[C@H](O)COC D77523 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.7 COCC(Cl)COC D74903 [1,1,0,0,0,0|2,0,0]=4 148 B9R0.4 CCCC[C@H](C)CC(=O)O AC9392 [0,2,0,0,0,0|1,0,0]=3 149 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O 25818 [0,2,0,0,0,0|1,0,0]=3 150 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O 25820 [0,2,0,0,0,0|1,0,0]=3 151 B9R0.34 CCOC(=O)CC(=O)CO D75487 [0,2,0,0,0,0|1,0,1]=4 152 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15753 [0,2,0,0,0,0|0,0,2]=4 153 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15756 [0,2,0,0,0,0|0,0,2]=4 154 B9R0.46 C#CCCCCC(=O)OC AT21754 [0,2,0,0,0,0|0,0,1]=3 155 B9R0.46 COC(=O)CCOCCO C70644 [0,2,0,0,0,0|1,0,0]=3 156 B9R0.46 COC(=O)CSCCCO AT19328 [0,2,0,0,0,0|1,0,0]=3 157 B9R0.2 CNCCOCCC(=O)O C70436 [0,2,0,0,0,0|1,0,0]=3 158 B9R0.2 NCCSSCCC(=O)O C70411 [0,2,0,0,0,0|2,0,0]=4 159 B9R0.38 CCOCCCS(N)(=O)=O AT20614 [0,2,0,0,0,0|2,0,0]=4 160 B9R0.38 CS(=O)(=O)OCCCCCl D96361 [0,2,0,0,0,0|2,0,0]=4 161 B9R0.51 CCCC[C@](C)(N)C(=O)O AT19792 [0,2,0,0,0,0|1,0,0]=3 162 B9R0.51 CCCC[C@](C)(N)C(=O)O AT19793 [0,2,0,0,0,0|1,0,0]=3 163 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [1,0,0,1,0,0|1,0,0]=3 164 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [1,0,0,1,0,0|1,0,0]=3 165 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [1,0,0,1,0,0|1,0,0]=3 167 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [1,0,0,1,0,0|1,0,0]=3 168 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [1,0,0,1,0,0|1,0,1]=4 169 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 C=C1CCNCC1 D77655 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.5 CCC[C@@H]1ON1C C11697 [1,0,0,1,0,0|1,0,1]=4 172 B7R1.10 CO[C@H]1CC(=O)N1 D72811 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.10 CSC1CC(=O)C1 AT20150 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.10 O=C1C[C@H](CBr)O1 AC5920 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.18 CC(=O)C1CNC1 C14559 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.18 NC(=O)N1CCC1 D77052 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.18 NC(=O)[C@@H]1CCN1 AT22807 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.18 O=C(Cl)C1COC1 AT24224 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.18 O=[S@](O)C1CCC1 AT20162 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.20 NC(=O)CC1CC1 D72924 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.20 O=C(Cl)OC1CC1 C77415 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.1 C=CN1CCCC1 C11100 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.1 CC[C@H]1CCCN1 RB4030 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.1 FC[C@H]1CCNC1 AT23179 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.1 NC[C@@H]1C=CCC1 E73245 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.1 O=C[C@@H]1CCCO1 98506 [1,0,0,1,0,0|1,0,0]=3 191 B7R1.1 O=C[C@@H]1CCCO1 98507 [1,0,0,1,0,0|1,0,0]=3 192 B7R1.1 O=C[C@H]1CCOC1 58457 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.1 O=C[C@H]1CCOC1 58458 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.4 C[C@@H]1NCCC1=O AT25613 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.4 C[C@H]1CCNC1=O D72756 [1,0,0,1,0,0|1,0,0]=3 196 B7R1.4 C[C@H]1CONC1=O D73580 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.6 NCCC1CNC1 AC9109 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.8 COC1CCC1N AT20027 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.8 CO[C@H]1CC[C@@H]1N AT20051 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.8 CO[C@H]1CC[C@@H]1N AT20055 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.8 CO[C@H]1CC[C@H]1N AT20049 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.8 CO[C@H]1CC[C@H]1N AT20056 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.8 CO[C@H]1CC[C@H]1N AT20057 [1,0,0,1,0,0|2,0,0]=4 204 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [0,1,0,1,0,0|0,0,0]=2 205 B9R1.7 NCC[C@@H]1CNC(=O)C1 AT19064 [0,1,0,1,0,0|1,0,0]=3 206 B9R1.7 NCC[C@H]1CCC(=O)N1 AT10893 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19049 [0,1,0,1,0,0|1,0,0]=3 208 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19053 [0,1,0,1,0,0|1,0,0]=3 209 B9R1.7 O=C1CC[C@H](CCO)N1 AT18821 [0,1,0,1,0,0|1,0,0]=3 210 B9R1.7 O=C1CC[C@H](CCO)N1 AT18837 [0,1,0,1,0,0|1,0,0]=3 211 B9R1.7 O=C1C[C@H](CCO)CN1 AT19057 [0,1,0,1,0,0|1,0,0]=3 212 B9R1.13 C[C@H](O)CN1CCCC1 AT24867 [0,1,0,1,0,0|0,0,2]=4 213 B9R1.22 CC[C@@H]1NC(=O)CC1=O D72818 [0,1,0,1,0,0|1,0,1]=4 214 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81440 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,1,0,1,0,0|0,0,2]=4 216 B9R1.34 CC1CC(N)CC(C)N1 D86047 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.34 CC1CC(N)CC(C)S1 89935 [0,1,0,1,0,0|0,1,1]=4 218 B9R1.34 CC1CC(N)CC(C)S1 C93279 [0,1,0,1,0,0|0,1,1]=4 219 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [0,1,0,1,0,0|1,0,0]=3 220 B9R1.34 O=C1CC(=O)CC(O)C1 57817 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.41 CC(O)C1CCCN1C AT23389 [0,1,0,1,0,0|0,0,2]=4 222 B9R1.41 CC1CCNC1C(=O)O E72830 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.41 CC1CNCC1C(=O)O AT17201 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O AT26861 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O F50029 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23383 [0,1,0,1,0,0|0,0,2]=4 227 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23388 [0,1,0,1,0,0|0,0,2]=4 228 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O AT17206 [0,1,0,1,0,0|1,0,0]=3 229 B9R1.41 C[C@H](O)[C@@H]1CCCN1C AT23387 [0,1,0,1,0,0|0,0,2]=4 230 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O F13022 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20921 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13968 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.41 O=C(O)C1CCCC1O AT25921 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.41 O=C(O)C1NCCC1F AT19446 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19444 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19445 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19447 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P10890 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.44 CC1(CC(=O)O)CC1F E72941 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.48 C[C@H]1CNCC[C@@H](C)O1 E72987 [0,1,0,1,0,0|0,0,2]=4 243 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.52 CC1CN(C)[C@@H]1C(=O)O P15972 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.52 C[C@@H]1CN(C)[C@@H]1C(=O)O D96588 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.53 CC(=O)C[C@H]1CC(=O)N1 E73222 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.53 CN1CC(CC(=O)O)C1 AT11728 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 P13499 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.53 O=C(O)CC1CC(F)C1 P21074 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 AT10150 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 AT10149 [0,1,0,1,0,0|1,0,0]=3 252 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20135 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.66 C[C@H]1CCCC(C)(C)N1 E73399 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10762 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.136 NCCC1CS(=O)(=O)C1 AT13055 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53443 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53536 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53574 [0,1,0,1,0,0|1,0,0]=3 259 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53768 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.171 CC1(CC(=O)O)CCC1 P19464 [0,1,0,1,0,0|1,0,0]=3 261 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [0,1,0,1,0,0|0,0,1]=3 262 B9R1.1 CC[C@H]1CC[C@@H](N)CC1 AT14261 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21307 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21313 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.2 CCC1COCC(C)N1 F18880 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,1,0,1,0,0|0,0,0]=2 267 B9R1.2 CC[C@H]1COC[C@H](C)N1 F19142 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.2 CN[C@H]1CCCN(C)C1 D72293 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.2 CN[C@H]1CCCN(C)C1 D76621 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P18694 [0,1,0,1,0,0|0,0,2]=4 271 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.3 CN1CCC[C@H](N)C1=O 20396 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.3 CN1CCC[C@H](N)C1=O 20397 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.5 N[C@H]1COCCNC1=O 57966 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.5 O[C@H]1CCCCC[C@@H]1O D88147 [0,1,0,1,0,0|0,0,2]=4 281 B9R1.11 N[C@@H](CO)C1CCCC1 F16947 [0,1,0,1,0,0|1,0,1]=4 282 B9R1.11 O=C(CBr)[C@H]1CCOC1 AT13306 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.79 CNC(=O)NC1CNC1 AT23003 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.81 COC(=O)[C@@H]1CCC1=O 54675 [0,1,0,1,0,0|1,0,1]=4 285 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72443 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72717 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P17882 [0,1,0,1,0,0|1,0,0]=3 288 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N D72718 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N P18452 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.81 COC(=O)[C@H]1CN[C@@H]1C P18147 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC E72924 [0,1,0,1,0,0|0,0,2]=4 292 B9R1.88 COC(=O)C1CC1C=O 58312 [0,1,0,1,0,0|1,0,1]=4 293 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO AT23910 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20219 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23908 [0,1,0,1,0,0|1,0,0]=3 296 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23909 [0,1,0,1,0,0|1,0,0]=3 297 B9R1.88 COC(=O)[C@H]1C[C@H]1CO D73972 [0,1,0,1,0,0|1,0,0]=3 298 B9R1.132 CN1C(=O)CC[C@@H]1CN F13760 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.132 CN1C(=O)OC[C@@H]1CO C77407 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.132 CN1CC[C@H](CBr)C1=O C77450 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.132 CN1CC[C@H](CN)C1=O AT19081 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.132 CN[C@H]1CCN(C)C1=O AT19098 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.6 CC(=O)N1CCCNC1 AC8336 [0,1,0,1,0,0|1,0,0]=3 304 B9R1.6 CN(C)[C@H]1CCCNC1 D75793 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.6 CN(C)[C@H]1CCCNC1 D75794 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.6 C[C@H](N)C1CCCCO1 79890 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.6 C[C@H](N)C1CCCCO1 79892 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.6 C[C@H](N)C1CCCCO1 79893 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.6 C[C@H](N)C1CCOCC1 AT13560 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.6 C[C@H](O)C1CCCCC1 AT26083 [0,1,0,1,0,0|0,0,2]=4 311 B9R1.6 C[C@H](O)C1CCNCC1 C77461 [0,1,0,1,0,0|0,0,2]=4 312 B9R1.6 N[S@@](=O)C1CCCCC1 D96431 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.6 O=C(O)[C@@H]1CSCCN1 AT23662 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.40 C[C@@H]1CCNC[C@]1(C)O 73177 [0,1,0,1,0,0|0,0,2]=4 315 B9R1.40 C[C@H]1CCNC[C@]1(C)O 73178 [0,1,0,1,0,0|0,0,2]=4 316 B9R1.40 C[C@H]1CNCCS1(=O)=O AT10755 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.84 O=C(O)CCC1CNC1 AT26044 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.84 O=C(O)CCC1COC1 52191 [0,1,0,1,0,0|1,0,0]=3 319 B9R1.84 O=C(O)COC1CNC1 AT23441 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.96 CCN1CC[C@H]1C(=O)O E73037 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.96 CN(C)[C@H]1CC[C@@H]1CO P18110 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.96 CN(C)[C@H]1CC[C@H]1CO P18111 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.96 O=C(O)C1CCC1CO D75979 [0,1,0,1,0,0|1,0,0]=3 324 B9R1.148 CC1(C)CCCCNC1 AT20042 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.148 C[C@]1(F)CCCCNC1 73124 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.148 C[C@]1(N)CCCCNC1 AT24711 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.148 C[C@]1(N)CCCNCC1 AT24712 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26185 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26186 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.35 CC(=O)N1CC[C@H](N)C1 C77695 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [0,1,0,1,0,0|0,0,1]=3 332 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [0,1,0,1,0,0|0,0,1]=3 333 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 D72845 [0,1,0,1,0,0|1,0,0]=3 334 B9R1.35 CC1CC(C(=O)O)CN1 AT24890 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.35 CC1CCC(C(=O)O)C1 72652 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.35 C[C@@H](F)[C@@H]1COC(=O)N1 AT25014 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17994 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24897 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24899 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11434 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT24203 [0,1,0,1,0,0|1,0,0]=3 342 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21805 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21807 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24892 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24894 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.35 NC(=O)C1CC(O)CN1 D77113 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.35 O=C(O)C1CCC(F)C1 73187 [0,1,0,1,0,0|1,0,0]=3 348 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22252 [0,1,0,1,0,0|1,0,0]=3 349 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22255 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22257 [0,1,0,1,0,0|1,0,0]=3 351 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22251 [0,1,0,1,0,0|1,0,0]=3 352 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22256 [0,1,0,1,0,0|1,0,0]=3 353 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22258 [0,1,0,1,0,0|1,0,0]=3 354 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 83546 [0,1,0,1,0,0|1,0,0]=3 355 B9R1.35 O=C1CC[C@@H](C(F)F)N1 AT19171 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81441 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.95 NCC1CC(C(=O)O)C1 P13732 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 P18552 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 P18553 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.110 CC(C(=O)O)C1CCO1 P20432 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.110 O=C(O)[C@@H](O)C1CCC1 D79655 [0,1,0,1,0,0|1,0,0]=3 362 B9R1.112 C[C@H](SC1CC1)C(=O)O AC8726 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT24786 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.163 C[C@@]1(C(=O)O)CCCO1 P20956 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.163 O=C(O)[C@]1(F)CCNC1 94893 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.163 O=C(O)[C@]1(F)CCNC1 94894 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.163 O=C(O)[C@]1(F)CCOC1 AT22082 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.10 C[C@]1(O)CC[C@H](O)CC1 P19304 [0,1,0,1,0,0|0,0,2]=4 369 B9R1.10 N=S1(=O)CCC(O)CC1 AT11344 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.10 O=S1(=O)CCC(Br)CC1 AT25832 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.10 O=S1(=O)CCC(I)CC1 95490 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.125 C[C@@]1(CO)CNC(=O)C1 AT19124 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.147 CC(=O)CCC1(O)CC1 AT24658 [0,1,0,1,0,0|0,0,0]=2 374 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O AT11293 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O AT11295 [0,1,0,1,0,0|1,0,0]=3 376 B9R1.166 CC1(C)CO[C@@H]1C(=O)O E72851 [0,1,0,1,0,0|2,0,0]=4 377 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 AT20240 [0,0,0,2,0,0|1,0,0]=3 378 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,0,0,2,0,0|1,0,0]=3 379 B9R2.33 NC1CC2CCC2C1 51188 [0,0,0,2,0,0|1,0,1]=4 380 B9R2.33 O=C1CC2CCC2C1 E72896 [0,0,0,2,0,0|0,0,0]=2 381 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24376 [0,0,0,2,0,0|1,0,1]=4 382 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24385 [0,0,0,2,0,0|1,0,1]=4 383 B9R2.39 O=C1CC2CC1CO2 P13996 [0,0,0,2,0,0|1,0,0]=3 384 B9R2.39 O=C1CC2CCC1N2 F13933 [0,0,0,2,0,0|1,0,0]=3 385 B9R2.39 O=C1CN2CCC1C2 D76671 [0,0,0,2,0,0|1,0,0]=3 386 B9R2.39 O=S1C[C@@H]2C[C@H]1CN2 E72948 [0,0,0,2,0,0|2,0,0]=4 387 B9R2.139 N[C@H]1CCC2(CC2)C1 89909 [0,0,0,2,0,0|1,0,1]=4 388 B9R2.21 O=C1CC2CC2CN1 P19558 [0,0,0,2,0,0|1,0,0]=3 389 B9R2.7 O=C1CC2CNCC12 D72828 [0,0,0,2,0,0|1,0,0]=3 390 B9R2.7 O=C1C[C@@H]2COC[C@H]12 AT20274 [0,0,0,2,0,0|1,0,0]=3 391 B9R2.41 NC1CC(C2CC2)C1 E73294 [0,0,0,2,0,0|1,0,1]=4 392 B9R2.138 NC1CC2(CCC2)C1 51172 [0,0,0,2,0,0|1,0,1]=4 393 B9R2.138 O=S1CC2(CNC2)C1 W13936 [0,0,0,2,0,0|2,0,0]=4 394 B9R2.1 N[C@H]1CC12CCCC2 F53640 [0,0,0,2,0,0|1,0,1]=4 395 B9R2.123 NC1C2CCCCC12 AT23098 [0,0,0,2,0,0|1,0,1]=4