0 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 CC(C)C(N)CO AK-62680 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)\C(N)=N\O AK117017 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 CC(N)C(OC)=O AK-48822 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CCC(N(C)C)=O AK105976 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 O=C(N(C)C)CN AK-33842 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 O=C(N(C)C)CN AK-39204 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 O=C([O-])C(OC)=O AK670985 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C[C@@H](N)COC AK-72611 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 C[C@H](N)CCC AK171191 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 NOCC(C)C AK-83418 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.3 C=CC(NC)=O AK115593 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.3 CCC(CN)=O AK-38468 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 CCC(CO)=O AK149491 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.3 CNC(=O)CCl AK-82796 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.3 C[C@@H](OC)CN AK153940 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 NCC(OC)=O AK-43994 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.3 NNC(=O)CO AK-89508 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.3 NNC(OC)=O AK109362 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.3 O=C(CO)CO AK-46682 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.3 O=C(OC)CO AK-98661 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.5 C(C(=O)O)(=O)O AK-40231 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.5 C=C(F)C(O)=O AK107642 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.5 CC(B(O)O)C AK-46096 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.5 CC(C)C(N)=O AK-80490 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.5 CC(O)C([O-])=O AK114515 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.5 C[C@H](N)C(N)=O AK-46287 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.5 O=C(O)C(O)=O AK116416 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,1,0,0,0,0|0,0,0]=1 43 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.10 CCC(N(OC)C)=O AK130253 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.10 CCC(N)C(OC)=O AK115477 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.10 COC(O)C(=O)OC AK-33946 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.10 CON(C)C(=O)CCl AK-36069 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.10 O=C(OC)C(Br)CO AK142725 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.10 O=C(OC)C(N)CO AK-44174 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [0,1,0,0,0,0|0,0,0]=1 60 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,1,0,0,0,0|0,0,0]=1 61 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,1,0,0,0,0|0,0,0]=1 63 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.14 CC(C)(O)C(NN)=O AK-98279 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.14 NC(C(=O)OC)(C)C AK-46629 [0,1,0,0,0,0|0,0,0]=1 69 B7R0.15 CC(C)C(CC)CO AK-40568 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.16 CC(C)C(N)C(C)C AK167760 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.16 C[N+](C)=C(Cl)N(C)C AK159209 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.16 C[N+](C)=C(N(C)C)F AK158837 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.4 CC1CSCC1=O AK104742 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.4 NC1CONC1=O AK-87856 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.4 NN1CCCC1=O AK-78653 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.4 O=C1C(N)CCS1 AK117085 [0,0,0,1,0,0|1,1,0]=3 83 B7R1.4 O=C1NCCN1C AK-78526 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.4 O=C1OCCC1N AK543042 [0,0,0,1,0,0|1,0,0]=2 89 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.4 OC1CCNC1=O AK-39164 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.4 S=C1N(C)CCC1 AK308101 [0,0,0,1,0,0|2,1,0]=4 92 B7R1.22 N=C(C1CC1)NO AK-49844 [0,0,0,1,0,0|3,0,0]=4 93 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,0,0,0,0,1|1,0,0]=2 94 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,0,0,0,0,1|1,0,0]=2 95 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,0,0,0,0,1|1,0,0]=2 96 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,0,0,0,0,1|3,0,0]=4 97 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,0,0,0,0,1|2,0,1]=4 98 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,0,0,0,0,1|2,0,1]=4 99 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,0,0,0,0,1|2,0,0]=3 100 B4R0.1 C(N)C(=O)C AK-42698 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 CC(C)ON AK-81639 [2,0,0,0,0,0|1,0,0]=3 102 B4R0.1 CC(NN)C AK-46728 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 CCB(O)O AK-25979 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.1 CCC(N)=N AK-48186 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 C[C@@H](N)CO AK-46726 [2,0,0,0,0,0|1,0,1]=4 106 B4R0.1 C[C@@H](O)CO AK158454 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.1 C[C@H](O)CO AK111153 [2,0,0,0,0,0|1,0,1]=4 108 B4R0.1 N=C(N)OC AK-48234 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 NC(=O)CI AK110349 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 NC(C)CO AK-46466 [2,0,0,0,0,0|1,0,1]=4 111 B4R0.1 NC(OC)=N AK116935 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 NCC(N)=O AK-41459 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.1 O=C(N)CBr AK-50036 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.1 O=C(O)CN AK-77854 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 O=C([O-])CN AK114167 [2,0,0,0,0,0|1,0,1]=4 116 B4R0.1 ONC(C)C AK117015 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.2 CC(C)NC(C)C AK101661 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.2 CC(NC(C)C)=O AK-86542 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.2 NC(C)CC(C)C AK205814 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.4 CC(C)NCCCl AK110294 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.4 CC(C)OCCBr AK110255 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.8 CCS(=O)(OC)=O AK544583 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.9 COC(OC)C=O AK-65152 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.7 CC(C(O)=O)(C)N AK-47379 [1,1,0,0,0,0|0,0,0]=2 125 B6R0.7 CC(C)(Br)C(N)=O AK-65163 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.7 CC(C)(C)C(N)=N AK113616 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.7 CC(C)(C)C([O-])=O AK160916 [1,1,0,0,0,0|0,0,1]=3 128 B6R0.7 CC(C)(C)C([O-])=O AK311585 [1,1,0,0,0,0|0,0,1]=3 129 B6R0.7 CC(C)(C)[S@@](=O)N AK-27064 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.7 CC(C)(C)[S@](=O)N AK-25810 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.7 CC(C)(C)[S](=O)N AK-25434 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.7 CC(C)(O)C(N)=O AK-57348 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.7 CC(F)(F)C(O)=O AK109307 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.7 CC(S(=O)(N)=O)C AK108357 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.7 O=C(N)C(C)(C)C AK208951 [1,1,0,0,0,0|1,0,0]=3 136 B6R0.7 O=C([O-])C(C)(C)C AK208709 [1,1,0,0,0,0|0,0,1]=3 137 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [0,1,0,0,0,1|0,0,0]=2 138 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [0,1,0,0,0,1|1,0,1]=4 139 B8R0.2 CC(C)C(N(OC)C)=O AK108098 [0,1,0,0,0,1|2,0,0]=4 140 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [0,1,0,0,0,1|0,0,0]=2 141 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [0,1,0,0,0,1|0,0,0]=2 142 B8R0.2 CC(O)C(N)C(OC)=O AK-77084 [0,1,0,0,0,1|1,0,0]=3 143 B8R0.2 C[C@@H](O)[C@@H](N)C(OC)=O AK162652 [0,1,0,0,0,1|1,0,0]=3 144 B8R0.2 C[C@H](O)[C@H](N)C(OC)=O AK-90375 [0,1,0,0,0,1|1,0,0]=3 145 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [0,1,0,0,0,1|0,0,0]=2 146 B8R0.2 N[C@@H]([C@H](O)C)C(OC)=O AK-49761 [0,1,0,0,0,1|1,0,0]=3 147 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,1,0,0,0,1|1,0,0]=3 148 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,1,0,0,0,1|1,0,0]=3 149 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,1,0,0,0,1|1,0,0]=3 150 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,1,0,0,0,1|1,0,0]=3 151 B8R0.16 O=C\C(OC)=C/N(C)C AK-25392 [0,1,0,0,0,1|1,0,0]=3 152 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,1,0,0,0,1|1,0,1]=4 153 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,1,0,0,0,1|1,0,0]=3 154 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [0,1,0,0,0,1|0,0,1]=3 155 B8R0.23 CC(C)OC([C@H](C)N)=O AK-40023 [0,1,0,0,0,1|1,0,0]=3 156 B8R0.23 C[C@H](N)C(OC(C)C)=O AK136097 [0,1,0,0,0,1|1,0,0]=3 157 B8R0.24 CC(C)(C)OC(=O)CN AK-84881 [0,1,0,0,0,1|2,0,0]=4 158 B8R0.24 CC(C)(C)OC(=O)CO AK-77037 [0,1,0,0,0,1|2,0,0]=4 159 B8R0.24 CC(OC(NN)=O)(C)C AK-47385 [0,1,0,0,0,1|2,0,0]=4 160 B8R0.24 CC(OC(NO)=O)(C)C AK-47671 [0,1,0,0,0,1|2,0,0]=4 161 B8R0.24 O=C(OC(C)(C)C)CI AK130198 [0,1,0,0,0,1|2,0,0]=4 162 B8R0.24 O=C(OC(C)(C)C)CN AK-46074 [0,1,0,0,0,1|2,0,0]=4 163 B8R0.24 O=C(OC(C)(C)C)NC AK-77399 [0,1,0,0,0,1|1,0,0]=3 164 B8R0.24 O=C(OC)CS(=O)(C)=O AK307503 [0,1,0,0,0,1|2,0,0]=4 165 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [0,2,0,0,0,0|0,0,2]=4 166 B8R0.3 C=CCC(N)C(OC)=O AK164017 [0,2,0,0,0,0|1,0,0]=3 167 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [0,2,0,0,0,0|0,0,1]=3 168 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,2,0,0,0,0|1,0,1]=4 169 B8R0.3 CCOC(=O)C(N)CO AK-81620 [0,2,0,0,0,0|1,0,0]=3 170 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,2,0,0,0,0|1,0,0]=3 173 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [0,2,0,0,0,0|1,0,0]=3 174 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [0,2,0,0,0,0|1,0,0]=3 176 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.14 CCOC(=O)C(C)(C)N AK-54013 [0,2,0,0,0,0|0,0,0]=2 178 B8R0.13 CC(C)(C#N)C(OC)=O AK-79194 [0,2,0,0,0,0|0,0,0]=2 179 B8R0.13 COC(=O)C(C)(C)CN AK-70233 [0,2,0,0,0,0|0,0,0]=2 180 B8R0.13 O=C(OC)C(C)(C)C=O AK127559 [0,2,0,0,0,0|0,0,0]=2 181 B8R0.13 O=C(OC)C(C)(C)CO AK-54556 [0,2,0,0,0,0|0,0,0]=2 182 B8R0.20 O=C(OC)C(CN)CN AK126755 [0,2,0,0,0,0|0,0,0]=2 183 B8R0.20 O=C(OC)C(OC)OC AK-47134 [0,2,0,0,0,0|0,0,0]=2 184 B8R0.18 CC(C)[C@@H](C(O)=O)NC AK509708 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.18 CC(C)[C@@H](NC)C(O)=O AK-89028 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.18 O=CN(C(C)C)C(C)C AK163259 [0,2,0,0,0,0|2,0,0]=4 187 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,1,0,0|1,0,1]=4 188 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,1,0,0|1,0,1]=4 189 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,1,0,0|2,0,0]=4 190 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.2 IC1COCC1 AK162325 [1,0,0,1,0,0|1,0,1]=4 192 B6R1.2 I[C@H]1COCC1 AK170642 [1,0,0,1,0,0|1,0,1]=4 193 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,1,0,0|2,0,0]=4 194 B6R1.2 NC1COCC1 AK-25569 [1,0,0,1,0,0|1,0,1]=4 195 B6R1.2 N[C@@H]1COCC1 AK-32266 [1,0,0,1,0,0|1,0,1]=4 196 B6R1.2 O1CC[C@H](C1)N AK-32944 [1,0,0,1,0,0|1,0,1]=4 197 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,1,0,0|1,0,1]=4 199 B6R1.3 NOCC1CC1 AK110167 [1,0,0,1,0,0|1,0,1]=4 200 B6R1.10 CC1(C)CNC1 AK139188 [1,0,0,1,0,0|1,0,1]=4 201 B6R1.10 NC1(C)COC1 AK-57022 [1,0,0,1,0,0|1,0,1]=4 202 B6R1.10 OC1(C)COC1 AK112914 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,1,0,1|1,0,0]=3 204 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,0,0,1,0,1|2,0,0]=4 205 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,0,1,0,1|2,0,0]=4 206 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,0,0,1,0,1|2,0,0]=4 207 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,0,0,1,0,1|2,0,0]=4 208 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,0,0,1,0,1|2,0,0]=4 209 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,0,1,0,1|2,0,0]=4 210 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,0,1,0,1|2,0,0]=4 211 B8R1.40 O=C(NC1CC1)CCl AK115237 [0,0,0,1,0,1|2,0,0]=4 212 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,0,0,1,0,1|1,0,0]=3 213 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,0,0,1,0,1|1,0,0]=3 214 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,0,0,1,0,1|1,0,0]=3 215 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.5 NC1CCCNC1=O AK-32522 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.5 O=C1N(C)CCNC1 AK-38983 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.5 O=C1NCCCC1N AK-58866 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.11 O=C1C(C#N)CCC1 AK-44929 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,1,0,0|1,0,0]=3 230 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.38 N1CC(C1)C(=O)OC AK-38972 [0,1,0,1,0,0|0,0,0]=2 232 B8R1.38 O=C(C1NCC1)OC AK-83806 [0,1,0,1,0,0|0,0,0]=2 233 B8R1.39 COC(=O)C1(O)CC1 AK-40246 [0,1,0,1,0,0|0,0,0]=2 234 B8R1.39 O=C(C1(Br)CC1)OC AK-67722 [0,1,0,1,0,0|0,0,0]=2 235 B8R1.39 O=C(C1(N)CC1)OC AK-30458 [0,1,0,1,0,0|0,0,0]=2 236 B8R1.39 O=C(C1(N)CC1)OC AK-32434 [0,1,0,1,0,0|0,0,0]=2 237 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,1,0,1,0,0|1,0,0]=3