0 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(=O)NC(N)=N AK-47569 [0,0,0,0,0,0|4,0,0]=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(NC(C)C)=O AK-86542 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 NC(C)CC(C)C AK205814 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.2 S=C(N)CN(C)C AK-74196 [0,0,0,0,0,0|0,1,0]=1 16 B5R0.1 C#CCC(O)=O AK106962 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C(C#N)C(N)=O AK-73131 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 CC#CC(O)=O AK-49957 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CN(CCBr)C AK-35597 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CNCC(N)=O AK-90265 [1,0,0,0,0,0|0,0,0]=1 22 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 C[C@@H](N)COC AK-72611 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 C[C@H](N)CCC AK171191 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 N=C(N)COC AK-86295 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 NCCC(N)=O AK-26218 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 NCCC(O)=O AK-41261 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 NOCC(C)=C AK550273 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 NOCC(C)C AK-83418 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 O=C(N)CSC AK-34209 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 O=CCN(C)C AK136086 [1,0,0,0,0,0|0,0,0]=1 32 B5R0.1 O=CCN(C)C AK172998 [1,0,0,0,0,0|0,0,0]=1 33 B5R0.1 [O+](=C(N)N)CC AK-50388 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.2 CN(C)C=C(C)C=O AK-79155 [0,1,0,0,0,0|1,0,1]=3 38 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,1,0,0,0,0|0,0,0]=1 45 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.9 CS(=O)(=O)CC(O)=O AK-82795 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.9 O=C([O-])C[N+](C)(C)C AK161873 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O AK-81288 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.16 O=C(C(C(N)=O)N)N AK-48787 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,1,0,0,0,0|1,0,0]=2 71 B7R1.2 C1=C[N](N=C1N)C AK-25543 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,0,0,1,0,0|1,0,2]=4 74 B7R1.2 C[N]1C=C(C=N1)N AK-30314 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 NC1=CN(C)C=N1 AK-77405 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.2 NC1=CN(C)N=C1 AK-40078 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.2 NC1=NN(C)C=N1 AK105396 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,0,0,1,0,0|1,0,1]=3 79 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.2 O=C1CC(N)=NN1 AK-26757 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 O=C1NC(CN1)=O AK307300 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.2 OC1CN(C)CC1 AK-29830 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,0,0,1,0,0|1,0,2]=4 96 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.12 O=C(C1C(F)C1)O AK-73995 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [0,0,0,1,0,0|3,0,0]=4 100 B5R0.5 CC(C)C(N)=O AK-80490 [0,0,0,0,1,0|1,0,0]=2 101 B5R0.5 CC(O)C([O-])=O AK114515 [0,0,0,0,1,0|3,0,0]=4 102 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,0,0,0,1,0|2,0,0]=3 103 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,0,0,0,1,0|3,0,0]=4 104 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,0,0,0,1,0|2,0,0]=3 105 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,0,0,0,1,0|3,0,0]=4 106 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,0,0,0,1,0|2,0,0]=3 107 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,0,0,0,1,0|3,0,0]=4 108 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,0,0,0,1,0|3,0,0]=4 109 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,0,0,0,0,1|3,0,0]=4 110 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,0,0,0,0,1|3,0,0]=4 111 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,0,0,0,1|3,0,0]=4 112 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,0,0,0,0,1|2,0,0]=3 113 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,0,0,0,0,1|1,0,0]=2 114 B4R0.1 C(N)C(=O)C AK-42698 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 CC(C)ON AK-81639 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 CC(NN)C AK-46728 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 CCC(N)=N AK-48186 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.1 C[C@@H](O)CN AK-76466 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 C[C@H](N)CN AK-51561 [2,0,0,0,0,0|1,0,1]=4 120 B4R0.1 C[C@H](O)CN AK-72977 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 N=C(N)CCl AK113548 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 N=C(N)CO AK-40243 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 N=C(N)OC AK-48234 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.1 N=C(N)SC AK-44125 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 NC(=O)CI AK110349 [2,0,0,0,0,0|1,0,0]=3 126 B4R0.1 NC(NC)=N AK-73103 [2,0,0,0,0,0|1,0,0]=3 127 B4R0.1 NC(OC)=N AK116935 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 NCC(N)=O AK-41459 [2,0,0,0,0,0|0,0,0]=2 129 B4R0.1 NNC(N)=N AK140136 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 O=C(N)CBr AK-50036 [2,0,0,0,0,0|1,0,0]=3 131 B4R0.1 O=C(N)NO AK128930 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.1 O=C(O)CN AK-77854 [2,0,0,0,0,0|1,0,0]=3 133 B4R0.1 O=C([O-])CN AK114167 [2,0,0,0,0,0|1,0,0]=3 134 B4R0.2 BrCCNC AK153488 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.2 ClCCNC AK123132 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.2 N#CCNC AK-46627 [2,0,0,0,0,0|0,0,2]=4 137 B4R0.2 NNCCC AK-76893 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.1 C(C(NC)=O)C#N AK-35938 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.1 CCCC(NN)=O AK-95909 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.1 O=C(NCC)CN AK-65785 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.1 O=C(NN)COC AK110451 [1,1,0,0,0,0|1,0,0]=3 142 B6R0.1 O=C(OC)CNC AK-58375 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.3 C(C(N)C(O)=O)C AK-46591 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.3 COC(C)C(O)=O AK-49797 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [1,1,0,0,0,0|1,0,0]=3 151 B6R0.3 C[C@H](NC)C(O)=O AK134597 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.3 C[C@H](OC)C(O)=O AK167072 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.3 O=C(N(C)C)CN AK-33842 [1,1,0,0,0,0|0,0,2]=4 155 B6R0.3 O=C(N(C)C)CN AK-39204 [1,1,0,0,0,0|0,0,2]=4 156 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.4 CCCCC([O-])=O AK163205 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.4 CN(C)CCCBr AK-35747 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 CN(C)CCCCl AK-25287 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.4 CN(C)CCCCl AK113440 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.4 CN(CCNC)C AK-64867 [1,1,0,0,0,0|0,0,1]=3 162 B6R0.4 NC(OCCC)=O AK116320 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.4 O=C(N)NCCO AK121931 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.4 O=C(O)CCCCl AK113749 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.4 O=C(O)CCCN AK-43987 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.4 O=C(O)CCNC AK155866 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.4 O=C(O)CCOC AK-88477 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.4 OCNCC(=O)[O-] AK-79027 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.5 CCCS(=O)(N)=O AK113525 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.7 CC(C(O)=O)(C)N AK-47379 [0,1,0,0,1,0|2,0,0]=4 171 B6R0.7 CC(C)(Br)C(N)=O AK-65163 [0,1,0,0,1,0|1,0,0]=3 172 B6R0.7 CC(C)(C)C(N)=N AK113616 [0,1,0,0,1,0|2,0,0]=4 173 B6R0.7 CC(C)(C)C([O-])=O AK160916 [0,1,0,0,1,0|2,0,0]=4 174 B6R0.7 CC(C)(C)C([O-])=O AK311585 [0,1,0,0,1,0|2,0,0]=4 175 B6R0.7 CC(C)(C)[S@@](=O)N AK-27064 [0,1,0,0,1,0|2,0,0]=4 176 B6R0.7 CC(C)(C)[S@](=O)N AK-25810 [0,1,0,0,1,0|2,0,0]=4 177 B6R0.7 CC(C)(C)[S](=O)N AK-25434 [0,1,0,0,1,0|2,0,0]=4 178 B6R0.7 CC(C)(O)C(N)=O AK-57348 [0,1,0,0,1,0|1,0,0]=3 179 B6R0.7 CC(S(=O)(N)=O)C AK108357 [0,1,0,0,1,0|2,0,0]=4 180 B6R0.7 CN([S](=O)(=O)N)C AK-49758 [0,1,0,0,1,0|1,0,0]=3 181 B6R0.7 O=C(N)C(C)(C)C AK208951 [0,1,0,0,1,0|1,0,0]=3 182 B6R0.7 O=C([O-])C(C)(C)C AK208709 [0,1,0,0,1,0|2,0,0]=4 183 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,1,0,0,0,1|2,0,0]=4 184 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [0,1,0,0,0,1|2,0,0]=4 185 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [0,1,0,0,0,1|2,0,0]=4 186 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,1,0,0,0,1|2,0,0]=4 187 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [0,1,0,0,0,1|2,0,0]=4 188 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [0,1,0,0,0,1|2,0,0]=4 189 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,1,0,0,0,1|2,0,0]=4 190 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [0,1,0,0,0,1|2,0,0]=4 191 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [0,1,0,0,0,1|2,0,0]=4 192 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [0,1,0,0,0,1|2,0,0]=4 193 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [0,1,0,0,0,1|2,0,0]=4 194 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,1,0,0,0,1|1,0,0]=3 195 B8R0.23 N=C(NC(N)=N)N(C)C AK163172 [0,1,0,0,0,1|1,0,1]=4 196 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [0,1,0,0,0,1|1,0,0]=3 197 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [0,1,0,0,0,1|1,0,0]=3 198 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [0,1,0,0,0,1|2,0,0]=4 199 B8R0.29 CC(C)(C)OCC(O)=O AK-57788 [0,1,0,0,0,1|2,0,0]=4 200 B8R0.29 O=C(O)CNC(C)(C)C AK-75739 [0,1,0,0,0,1|2,0,0]=4 201 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [0,2,0,0,0,0|1,0,0]=3 206 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,2,0,0,0,0|2,0,0]=4 208 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.16 O=C\C(OC)=C/N(C)C AK-25392 [0,2,0,0,0,0|1,0,1]=4 211 B8R0.24 CC(C)(C)OC(=O)CN AK-84881 [0,2,0,0,0,0|2,0,0]=4 212 B8R0.24 CC(OC(NN)=O)(C)C AK-47385 [0,2,0,0,0,0|2,0,0]=4 213 B8R0.24 CC(OC(NO)=O)(C)C AK-47671 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.24 O=C(OC(C)(C)C)CN AK-46074 [0,2,0,0,0,0|2,0,0]=4 215 B8R0.24 O=C(OC(C)(C)C)NC AK-77399 [0,2,0,0,0,0|2,0,0]=4 216 B8R0.27 CC(C)(C)C(N)C(O)=O AK-46692 [0,2,0,0,0,0|2,0,0]=4 217 B8R0.27 CC(C)(C)[C@H](N)C(N)=O AK164248 [0,2,0,0,0,0|1,0,0]=3 218 B8R0.27 CC(C)(C)[C@H](N)C(O)=O AK-47550 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.27 CC(C)(C)[C@H](O)C(O)=O AK135563 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O AK-34222 [0,2,0,0,0,0|2,0,0]=4 221 B8R0.27 CC(C)(O)[C@H](N)C(O)=O AK-34221 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.27 N[C@H](C(C)(C)C)C(=O)O AK-47336 [0,2,0,0,0,0|2,0,0]=4 223 B8R0.18 CC(C)[C@@H](C(O)=O)NC AK509708 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.18 CC(C)[C@@H](CN)C(O)=O AK119228 [0,2,0,0,0,0|2,0,0]=4 225 B8R0.18 CC(C)[C@@H](NC)C(O)=O AK-89028 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.18 CC(C)[C@H](CN)C(O)=O AK119232 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.37 C(C(=O)N)(N)(C(C)C)C AK-24703 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.37 CC(C)[C@@](C)(N)C(O)=O AK163535 [0,2,0,0,0,0|2,0,0]=4 229 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,1,0,0|1,0,1]=4 230 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,1,0,0|1,0,1]=4 231 B6R1.2 NC1=NCCC1 AK-81762 [1,0,0,1,0,0|2,0,0]=4 232 B6R1.2 NC1CNCC1 AK-24781 [1,0,0,1,0,0|1,0,1]=4 233 B6R1.2 N[C@@H]1CNCC1 AK-46300 [1,0,0,1,0,0|1,0,1]=4 234 B6R1.2 N[C@H]1CNCC1 AK-47751 [1,0,0,1,0,0|1,0,1]=4 235 B6R1.2 N[C@H]1CNCC1 AK-80471 [1,0,0,1,0,0|1,0,1]=4 236 B6R1.2 O=C1CC=NN1 AK-90809 [1,0,0,1,0,0|2,0,0]=4 237 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,1,0,0|1,0,0]=3 238 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,1,0,0|2,0,0]=4 239 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,1,0,0|2,0,0]=4 240 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,1,0,0|2,0,0]=4 241 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,1,0,0|2,0,0]=4 242 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,1,0,0|2,0,0]=4 243 B6R1.2 O=C1SCCN1 AK-89361 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.3 NCCC1CC1 AK-88169 [1,0,0,1,0,0|1,0,1]=4 245 B6R1.3 NOCC1CC1 AK110167 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.3 OCCN1CC1 AK-85970 [1,0,0,1,0,0|0,0,2]=4 247 B6R1.5 NC1CC(=O)C1 AK-41683 [1,0,0,1,0,0|2,0,0]=4 248 B6R1.5 NC1CC(C)C1 AK131965 [1,0,0,1,0,0|1,0,1]=4 249 B6R1.11 N=C(C1CC1)N AK-61863 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,1,0,1|1,0,0]=3 251 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,0,0,1,0,1|1,0,1]=4 252 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,1,0,1|2,0,0]=4 253 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,0,0,1,0,1|2,0,0]=4 254 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,0,1,0,1|2,0,0]=4 255 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,0,0,1,0,1|2,0,0]=4 256 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,0,1,0,1|2,0,0]=4 257 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [0,0,0,1,0,1|1,0,0]=3 258 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,0,0,1,0,1|1,0,0]=3 259 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,0,0,1,0,1|2,0,0]=4 260 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,0,0,1,0,1|2,0,0]=4 261 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [0,0,0,1,0,1|2,0,0]=4 262 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [0,0,0,1,0,1|2,0,0]=4 263 B8R1.1 O=C1NCC(OC)=C1 AK142161 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,1,0,1,0,0|1,0,0]=3 266 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,1,0,1,0,0|0,0,0]=2 276 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.18 NC1=NN(C)C(C)=C1 AK-81604 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.18 NN1CC(=O)NC1=O AK-81573 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.18 O=C1CN(C)C(N1)=N AK113718 [0,1,0,1,0,0|0,0,1]=3 281 B8R1.34 CN(C)CC1CNC1 AK131363 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.56 O=S(CC1CC1)(N)=O AK-59689 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.54 O=C(O)[C@@H](N)C1CC1 AK-44348 [0,1,0,1,0,0|2,0,0]=4 285 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,0,0,0,0,2|1,0,0]=3 286 B8R0.28 O=C(O)\C=C\CN(C)C AK-44120 [0,0,0,0,0,2|1,0,0]=3 287 B8R0.28 O=C(O)\C=C\CN(C)C AK164346 [0,0,0,0,0,2|1,0,0]=3