0 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 CC(=O)NC(N)=N AK-47569 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(C)CB(O)O AK-26354 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CC(C)NC(C)C AK101661 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.2 NC(C)CC(C)C AK205814 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.2 S=C(N)CN(C)C AK-74196 [0,0,0,0,0,0|3,1,0]=4 16 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CC#CC(O)=O AK-49957 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(N)=O AK-90265 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 C[C@@H](N)COC AK-72611 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 C[C@H](N)CCC AK171191 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 NCCC(N)=O AK-26218 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 NCCC(O)=O AK-41261 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 NOCC(C)C AK-83418 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 O=C(N)CSC AK-34209 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 O=CCN(C)C AK136086 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 O=CCN(C)C AK172998 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 [O+](=C(N)N)CC AK-50388 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.2 CN(C)C=C(C)C=O AK-79155 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,1,0,0,0,0|0,0,0]=1 42 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.9 CS(=O)(OC(C)C)=O AK117725 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.9 O=C([O-])C[N+](C)(C)C AK161873 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.16 CC(C)C(N)C(C)C AK167760 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O AK-81288 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.2 CC1=NN=C(C)O1 AK-54981 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.2 FC1COC(=O)O1 AK111108 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.2 O=C1CCC(O1)=O AK139125 [0,0,0,1,0,0|1,0,1]=3 69 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,1,0,0|0,0,2]=3 75 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,1,0,0|0,0,0]=1 76 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,1,0,0|1,0,0]=2 78 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,1,0,0|1,0,0]=2 79 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.12 O=C(C1C(F)C1)O AK-73995 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [0,0,0,1,0,0|3,0,0]=4 83 B5R0.5 CC(B(O)O)C AK-46096 [0,0,0,0,1,0|2,0,1]=4 84 B5R0.5 CC(C)C(N)=O AK-80490 [0,0,0,0,1,0|1,0,0]=2 85 B5R0.5 CC(O)C([O-])=O AK114515 [0,0,0,0,1,0|2,0,0]=3 86 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,0,0,0,1,0|2,0,0]=3 87 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,0,0,0,1,0|2,0,0]=3 88 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,0,0,0,1,0|2,0,0]=3 89 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,0,0,0,1,0|2,0,0]=3 90 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,0,0,0,1,0|2,0,0]=3 91 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,0,0,0,1,0|2,0,0]=3 92 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,0,0,0,1,0|2,0,0]=3 93 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [0,0,0,0,1,0|3,0,0]=4 94 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,0,0,0,1|1,0,0]=2 95 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,0,0,0,0,1|3,0,0]=4 96 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,0,0,0,0,1|3,0,0]=4 97 B4R0.1 C(N)C(=O)C AK-42698 [2,0,0,0,0,0|1,0,0]=3 98 B4R0.1 CC(C)ON AK-81639 [2,0,0,0,0,0|1,0,0]=3 99 B4R0.1 CC(NN)C AK-46728 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 CCC(N)=N AK-48186 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.1 N=C(N)OC AK-48234 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.1 NC(=O)CI AK110349 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 NC(OC)=N AK116935 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 NCC(N)=O AK-41459 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 O=C(N)CBr AK-50036 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 O=C(O)CN AK-77854 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 O=C([O-])CN AK114167 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 ONC(C)C AK117015 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.1 CCCC(NN)=O AK-95909 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.1 O=C(NCC)CN AK-65785 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.1 O=C(OC)CCBr AK-91613 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.1 O=C(OC)CCN AK-46776 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.1 O=C(OC)CCO AK-83355 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.1 O=C(OC)CNC AK-58375 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.1 O=C(OC)OCC AK397345 [1,1,0,0,0,0|0,0,0]=2 116 B6R0.1 O=C(OCC)CO AK-98662 [1,1,0,0,0,0|0,0,0]=2 117 B6R0.3 C(C(N)C(O)=O)C AK-46591 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.3 CC(N(CC)C)=O AK149250 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.3 CCC(=O)C(O)=O AK-48379 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.4 CC(C)NCCCl AK110294 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.4 CC(C)OCCBr AK110255 [1,1,0,0,0,0|0,0,1]=3 127 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.4 CC(OCCBr)=O AK165045 [1,1,0,0,0,0|0,0,0]=2 129 B6R0.4 CCCCC([O-])=O AK163205 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.4 NC(OCCC)=O AK116320 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.4 O=C(N)NCCO AK121931 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.4 O=C(O)CCCCl AK113749 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.4 O=C(O)CCCN AK-43987 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.4 O=C(O)CCNC AK155866 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.4 O=C(O)CCOC AK-88477 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.5 CS(=O)(OCC)=O AK544582 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.7 CC(C(O)=O)(C)N AK-47379 [0,1,0,0,1,0|1,0,0]=3 138 B6R0.7 CC(C)(Br)C(N)=O AK-65163 [0,1,0,0,1,0|1,0,0]=3 139 B6R0.7 CC(C)(C)C(N)=N AK113616 [0,1,0,0,1,0|2,0,0]=4 140 B6R0.7 CC(C)(C)C([O-])=O AK160916 [0,1,0,0,1,0|1,0,0]=3 141 B6R0.7 CC(C)(C)C([O-])=O AK311585 [0,1,0,0,1,0|1,0,0]=3 142 B6R0.7 CC(C)(C)[S@@](=O)N AK-27064 [0,1,0,0,1,0|2,0,0]=4 143 B6R0.7 CC(C)(C)[S@](=O)N AK-25810 [0,1,0,0,1,0|2,0,0]=4 144 B6R0.7 CC(C)(C)[S](=O)N AK-25434 [0,1,0,0,1,0|2,0,0]=4 145 B6R0.7 CC(C)(O)C(N)=O AK-57348 [0,1,0,0,1,0|1,0,0]=3 146 B6R0.7 CC(F)(F)C(O)=O AK109307 [0,1,0,0,1,0|2,0,0]=4 147 B6R0.7 CC(S(=O)(N)=O)C AK108357 [0,1,0,0,1,0|2,0,0]=4 148 B6R0.7 O=C(N)C(C)(C)C AK208951 [0,1,0,0,1,0|1,0,0]=3 149 B6R0.7 O=C([O-])C(C)(C)C AK208709 [0,1,0,0,1,0|1,0,0]=3 150 B8R0.9 C=CC(OCC(O)C)=O AK110453 [0,1,0,0,0,1|1,0,1]=4 151 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [0,1,0,0,0,1|2,0,0]=4 152 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [0,1,0,0,0,1|2,0,0]=4 153 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,1,0,0,0,1|2,0,0]=4 154 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [0,1,0,0,0,1|2,0,0]=4 155 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [0,1,0,0,0,1|2,0,0]=4 156 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,1,0,0,0,1|2,0,0]=4 157 B8R0.23 CC(C)OC([C@H](C)N)=O AK-40023 [0,1,0,0,0,1|1,0,1]=4 158 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [0,1,0,0,0,1|2,0,0]=4 159 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [0,1,0,0,0,1|2,0,0]=4 160 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [0,1,0,0,0,1|2,0,0]=4 161 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [0,1,0,0,0,1|2,0,0]=4 162 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,1,0,0,0,1|2,0,0]=4 163 B8R0.23 C[C@H](N)C(OC(C)C)=O AK136097 [0,1,0,0,0,1|1,0,1]=4 164 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [0,1,0,0,0,1|2,0,0]=4 165 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [0,1,0,0,0,1|2,0,0]=4 166 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [0,1,0,0,0,1|2,0,0]=4 167 B8R0.29 CC(C)(C)OCC(O)=O AK-57788 [0,1,0,0,0,1|1,0,0]=3 168 B8R0.29 O=C(O)CNC(C)(C)C AK-75739 [0,1,0,0,0,1|2,0,0]=4 169 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [0,2,0,0,0,0|1,0,0]=3 170 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.2 CC(O)C(N)C(OC)=O AK-77084 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,2,0,0,0,0|2,0,0]=4 174 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.2 C[C@@H](O)[C@@H](N)C(OC)=O AK162652 [0,2,0,0,0,0|2,0,0]=4 176 B8R0.2 C[C@H](O)[C@H](N)C(OC)=O AK-90375 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [0,2,0,0,0,0|1,0,0]=3 178 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,2,0,0,0,0|2,0,0]=4 179 B8R0.2 N[C@@H]([C@H](O)C)C(OC)=O AK-49761 [0,2,0,0,0,0|2,0,0]=4 180 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,2,0,0,0,0|1,0,0]=3 182 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,2,0,0,0,0|1,0,0]=3 184 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.16 O=C\C(OC)=C/N(C)C AK-25392 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [0,2,0,0,0,0|1,0,1]=4 188 B8R0.24 CC(C)(C)OC(=O)CN AK-84881 [0,2,0,0,0,0|0,0,0]=2 189 B8R0.24 CC(C)(C)OC(=O)CO AK-77037 [0,2,0,0,0,0|0,0,0]=2 190 B8R0.24 CC(OC(NN)=O)(C)C AK-47385 [0,2,0,0,0,0|1,0,0]=3 191 B8R0.24 CC(OC(NO)=O)(C)C AK-47671 [0,2,0,0,0,0|1,0,0]=3 192 B8R0.24 O=C(OC(C)(C)C)CI AK130198 [0,2,0,0,0,0|0,0,0]=2 193 B8R0.24 O=C(OC(C)(C)C)CN AK-46074 [0,2,0,0,0,0|0,0,0]=2 194 B8R0.24 O=C(OC(C)(C)C)NC AK-77399 [0,2,0,0,0,0|0,0,0]=2 195 B8R0.27 CC(C)(C)C(N)C(O)=O AK-46692 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.27 CC(C)(C)[C@H](N)C(N)=O AK164248 [0,2,0,0,0,0|2,0,0]=4 197 B8R0.27 CC(C)(C)[C@H](N)C(O)=O AK-47550 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.27 CC(C)(C)[C@H](O)C(O)=O AK135563 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O AK-34222 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.27 CC(C)(O)[C@H](N)C(O)=O AK-34221 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.27 N[C@H](C(C)(C)C)C(=O)O AK-47336 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.18 CC(C)[C@@H](C(O)=O)NC AK509708 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.18 CC(C)[C@@H](CN)C(O)=O AK119228 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.18 CC(C)[C@@H](NC)C(O)=O AK-89028 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.18 CC(C)[C@H](CN)C(O)=O AK119232 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.37 C(C(=O)N)(N)(C(C)C)C AK-24703 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.37 CC(C)[C@@](C)(N)C(O)=O AK163535 [0,2,0,0,0,0|2,0,0]=4 208 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,1,0,0|1,0,1]=4 212 B6R1.2 NC1=NCCC1 AK-81762 [1,0,0,1,0,0|2,0,0]=4 213 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,1,0,0|2,0,0]=4 214 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,1,0,0|2,0,0]=4 215 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,1,0,0|2,0,0]=4 217 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,1,0,0|2,0,0]=4 218 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,1,0,0|0,0,2]=4 219 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,1,0,0|1,0,0]=3 220 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,1,0,0|1,0,0]=3 221 B6R1.2 O=C1SCCN1 AK-89361 [1,0,0,1,0,0|1,1,0]=4 222 B6R1.5 NC1CC(=O)C1 AK-41683 [1,0,0,1,0,0|2,0,0]=4 223 B6R1.10 CC1(C)CNC1 AK139188 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,1,0,1|2,0,0]=4 225 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,0,0,1,0,1|1,0,1]=4 226 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,0,0,1,0,1|1,0,1]=4 227 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,0,0,1,0,1|1,0,1]=4 228 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,1,0,1|1,0,1]=4 229 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,0,0,1,0,1|2,0,0]=4 230 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,0,0,1,0,1|2,0,0]=4 231 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,0,1,0,1|2,0,0]=4 232 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,0,0,1,0,1|2,0,0]=4 233 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,0,1,0,1|2,0,0]=4 234 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,0,0,1,0,1|2,0,0]=4 235 B8R1.23 CC(N1CC(O)C1)=O AK-40495 [0,0,0,1,0,1|2,0,0]=4 236 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,0,0,1,0,1|2,0,0]=4 237 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,0,0,1,0,1|1,0,0]=3 238 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,0,0,1,0,1|2,0,0]=4 239 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [0,0,0,1,0,1|2,0,0]=4 240 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [0,0,0,1,0,1|2,0,0]=4 241 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,1,0,1,0,0|1,0,0]=3 242 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.34 CC(OC1CNC1)=O AK-71497 [0,1,0,1,0,0|0,0,0]=2 262 B8R1.34 CC(OC1CNC1)=O AK208566 [0,1,0,1,0,0|0,0,0]=2 263 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.40 O=C(NC1CC1)CCl AK115237 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.54 O=C(O)[C@@H](N)C1CC1 AK-44348 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [0,1,0,1,0,0|2,0,0]=4 268 B8R0.28 CC(OCOC(C)=O)=O AK112071 [0,0,0,0,0,2|1,0,1]=4