0 B5R0.1 C#CCC(O)=O AK106962 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C(C#N)C(N)=O AK-73131 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 C(C(=O)O)NC AK-47434 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CC#CC(O)=O AK-49957 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC(N)CCO AK-81869 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CCCB(O)O AK-47948 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CN(CCBr)C AK-35597 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CNCC(N)=O AK-90265 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.1 C[C@@H](N)CC#N AK203337 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 C[C@@H](N)CCC AK608015 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.1 C[C@@H](N)CCO AK-41725 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 C[C@@H](N)COC AK-72611 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 C[C@@H](O)CCO AK-86774 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 C[C@H](N)CC#N AK173140 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 C[C@H](N)CCC AK171191 [0,0,0,0,0,0|1,0,1]=2 15 B5R0.1 C[C@H](N)CCO AK-41726 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 N=C(N)COC AK-86295 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 NCCC(N)=O AK-26218 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.1 NCCC(O)=O AK-41261 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 NOCC(C)=C AK550273 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 O=C(N)CSC AK-34209 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 O=P(CCN)O AK477259 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 [O+](=C(N)N)CC AK-50388 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 CCB(O)O AK-25979 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 C[C@@H](N)CO AK-46726 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C[C@H](N)CN AK-51561 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C\C(N)=N\O AK-91616 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 N=C(N)CCl AK113548 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 N=C(N)CO AK-40243 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 N=C(N)OC AK-48234 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 N=C(N)SC AK-44125 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 NC(=O)CI AK110349 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 NC(C)CO AK-46466 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 NC(NC)=N AK-73103 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 NC(OC)=N AK116935 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 NCC(N)=O AK-41459 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 NNC(N)=N AK140136 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 O=C(N)CBr AK-50036 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 O=C(N)NO AK128930 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 O=C(O)CN AK-77854 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 O=C([O-])CN AK114167 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 BrCCNC AK153488 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 C#CCCN AK-81795 [1,0,0,0,0,0|0,0,3]=4 46 B4R0.2 C(Br)CCN AK-73071 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.2 C=CCCN AK165308 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 C=CC[Pd]Cl AK327212 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.2 ClCCNC AK123132 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 ICCCI AK126057 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 N#CCNC AK-46627 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 NCCCCl AK164441 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.2 NNCCC AK-76893 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.2 NNCCO AK-41264 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 NOCC=C AK208821 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.2 NOCCN AK-72573 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 OCCCBr AK-77055 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.1 C#CCC(OC)=O AK-93397 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.1 C(C(NC)=O)C#N AK-35938 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.1 CCCC(NN)=O AK-95909 [0,1,0,0,0,0|0,0,0]=1 61 B6R0.1 CCC[C@H](N)CO AK-81386 [0,1,0,0,0,0|0,0,2]=3 62 B6R0.1 O=C(NCC)CN AK-65785 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.1 O=C(NN)COC AK110451 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.1 O=C(OC)CCBr AK-91613 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.1 O=C(OC)CCN AK-46776 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.1 O=C(OC)CCO AK-83355 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 O=C(OC)CNC AK-58375 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.1 O=C(OC)OCC AK397345 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.1 O=C(OCC)CO AK-98662 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.2 CC(=O)NC(N)=N AK-47569 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.2 CC(C)CB(O)O AK-26354 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.2 CC(NC(C)C)=O AK-86542 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,1,0,0,0,0|1,0,0]=2 76 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,1,0,0,0,0|1,0,0]=2 77 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.2 NC(C)CC(C)C AK205814 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.2 S=C(N)CN(C)C AK-74196 [0,1,0,0,0,0|1,1,0]=3 86 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.3 CC(C#N)C(O)=O AK544214 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 CC(N(CC)C)=O AK149250 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,1,0,0,0,0|0,0,0]=1 96 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.3 COC(C)C(O)=O AK-49797 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.3 NC(CO)C(O)=O AK-41368 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.3 O=C(O)C(C)CBr AK116257 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.3 O=C(O)C(N)CN AK-44800 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.3 O=C(O)C(O)CO AK114312 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.3 O=C([O-])C(OC)=O AK670985 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.4 CC(CCCCl)=O AK-48368 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.4 CC(OCCBr)=O AK165045 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.4 CCCCB(O)O AK-44016 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.4 CCCCC([O-])=O AK163205 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.4 CN(C)CCCBr AK-35747 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.4 CN(C)CCCCl AK-25287 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.4 CN(C)CCCCl AK113440 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.4 CN(CCNC)C AK-64867 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.4 NC(OCCC)=O AK116320 [0,1,0,0,0,0|0,0,0]=1 128 B6R0.4 O=C(N)NCCO AK121931 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.4 O=C(O)CCC#N AK-47909 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.4 O=C(O)CCCCl AK113749 [0,1,0,0,0,0|1,0,0]=2 131 B6R0.4 O=C(O)CCCN AK-43987 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.4 O=C(O)CCNC AK155866 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.4 O=C(O)CCOC AK-88477 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.4 OC(=O)CCC#C AK-32594 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.4 OCNCC(=O)[O-] AK-79027 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.5 BrCCP(O)(O)=O AK113299 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.5 CC(C)(N)CCO AK146046 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.5 CCCS(=O)(N)=O AK113525 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.5 CS(=O)(OCC)=O AK544582 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.5 NCCP(O)(O)=O AK113300 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.5 NCCS(=O)(N)=O AK145430 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.5 NCC[S](=O)(=O)C AK-39784 [0,1,0,0,0,0|3,0,0]=4 143 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,1,0,0|1,0,1]=3 144 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,1,0,0|1,0,1]=3 145 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.2 NC1CNCC1 AK-24781 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 NC1COCC1 AK-25569 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,1,0,0|2,0,1]=4 150 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,1,0,0|1,0,1]=3 154 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.2 O=C1NC=CN1 AK-45238 [0,0,0,1,0,0|1,0,2]=4 158 B6R1.2 O=C1NNC=C1 AK-58738 [0,0,0,1,0,0|1,0,2]=4 159 B6R1.2 O=C1NNCC1 AK-46169 [0,0,0,1,0,0|1,0,0]=2 160 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,1,0,0|1,0,0]=2 161 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,1,0,0|1,0,2]=4 162 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,1,0,0|1,0,2]=4 163 B6R1.2 O=C1OCCN1 AK-94050 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.2 O=C1OCCO1 AK101077 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.2 O=C1SCCN1 AK-89361 [0,0,0,1,0,0|1,0,0]=2 166 B6R1.5 NC1CC(=O)C1 AK-41683 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.5 NC1CC(C)C1 AK131965 [0,0,0,1,0,0|1,0,1]=3 168 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [0,0,0,1,0,0|2,0,1]=4 169 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [0,0,0,1,0,0|2,0,1]=4 170 B6R1.10 NC1(C)CCC1 AK117597 [0,0,0,1,0,0|1,0,1]=3 171 B6R1.10 NC1(C)COC1 AK-57022 [0,0,0,1,0,0|2,0,1]=4 172 B6R1.11 CC(N)C1CC1 AK-59911 [0,0,0,1,0,0|1,0,1]=3 173 B6R1.11 C[C@H](N)C1CC1 AK166914 [0,0,0,1,0,0|1,0,1]=3 174 B6R1.11 N=C(C1CC1)N AK-61863 [0,0,0,1,0,0|1,0,0]=2 175 B6R1.11 OB(C1CC1)O AK-25947 [0,0,0,1,0,0|2,0,1]=4 176 B3R0.1 C(N)CBr AK-41589 [2,0,0,0,0,0|1,0,0]=3 177 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,1]=4 178 B3R0.1 FCCN AK-45730 [2,0,0,0,0,0|1,0,0]=3 179 B3R0.1 NOCC AK-45000 [2,0,0,0,0,0|1,0,0]=3 180 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,0,1]=4 181 B3R0.2 CC(N)=O AK-97258 [2,0,0,0,0,0|0,0,0]=2 182 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|1,0,0]=3 183 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|1,0,0]=3 184 B3R0.2 CC([O-])=O AK-98692 [2,0,0,0,0,0|1,0,0]=3 185 B3R0.2 N=C(Cl)N AK397383 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.2 NC([S-])=S AK554464 [2,0,0,0,0,0|1,1,0]=4 187 B3R0.2 [O-]C([O-])=O AK106969 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.3 C=CC(NC)=O AK115593 [1,1,0,0,0,0|0,0,2]=4 189 B5R0.3 CCC(CN)=O AK-38468 [1,1,0,0,0,0|0,0,0]=2 190 B5R0.3 CCC(CO)=O AK149491 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.3 CCC(N)CO AK-57405 [1,1,0,0,0,0|0,0,2]=4 192 B5R0.3 CC[C@H](N)CO AK-86460 [1,1,0,0,0,0|0,0,2]=4 193 B5R0.3 CNC(=O)CCl AK-82796 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.3 NCC(OC)=O AK-43994 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.3 NNC(=O)CO AK-89508 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.3 NNC(OC)=O AK109362 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.3 O=C(CO)CO AK-46682 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.3 O=C(OC)CO AK-98661 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.4 C([S](=O)(=O)N)C AK-46734 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|0,0,0]=2 201 B5R0.5 CC(O)C([O-])=O AK114515 [1,1,0,0,0,0|1,0,0]=3 202 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [1,1,0,0,0,0|0,0,0]=2 203 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.5 C[C@H](N)C(N)=O AK-46287 [1,1,0,0,0,0|0,0,0]=2 205 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [1,1,0,0,0,0|0,0,0]=2 207 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,1,0,0,0,0|1,0,0]=3 209 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.2 BrCCCC#N AK110352 [1,1,0,0,0,0|0,0,2]=4 211 B5R0.2 C(CCN)CN AK-46742 [1,1,0,0,0,0|0,0,1]=3 212 B5R0.2 C=CCCCO AK325629 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.2 CNOCCN AK155896 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.2 ClCCCCBr AK105174 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.2 ICCCCCl AK116716 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.2 ICCCCI AK112667 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.2 N#CCCNC AK116969 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.2 N#CCCNN AK129289 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 N#CCCOC AK-46138 [1,1,0,0,0,0|0,0,2]=4 220 B5R0.2 NCCCCBr AK-51681 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.2 NOCCCC AK-85835 [1,1,0,0,0,0|0,0,1]=3 222 B5R0.2 OCCCCN AK-58038 [1,1,0,0,0,0|0,0,1]=3 223 B5R0.2 OCCCNC AK112615 [1,1,0,0,0,0|0,0,2]=4 224 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,2,0,0,0,0|1,0,0]=3 225 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,2,0,0,0,0|1,0,0]=3 226 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,2,0,0,0,0|1,0,0]=3 229 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,2,0,0,0,0|1,0,0]=3 230 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,2,0,0,0,0|0,0,2]=4 231 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [0,2,0,0,0,0|1,0,0]=3 232 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,2,0,0,0,0|1,0,0]=3 234 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,2,0,0,0,0|0,0,1]=3 237 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.3 C=CC(NCCN)=O AK142923 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.3 CCCCC(NN)=O AK114657 [0,2,0,0,0,0|0,0,0]=2 240 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,2,0,0,0,0|0,0,2]=4 241 B7R0.3 O=C(OC)CCCBr AK-94853 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.3 O=C(OC)CCNC AK-85857 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.5 C#CCC(N)C(O)=O AK323755 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.5 C#CC[C@@H](N)C(O)=O AK107685 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.5 C#CC[C@@H](N)C(O)=O AK158803 [0,2,0,0,0,0|1,0,1]=4 246 B7R0.5 C#CC[C@H](N)C(O)=O AK-93444 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.5 C#CC[C@H](N)C(O)=O AK110719 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,2,0,0,0,0|0,0,1]=3 252 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,2,0,0,0,0|0,0,1]=3 255 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.5 COCC(N)C(O)=O AK-87739 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,2,0,0,0,0|1,0,0]=3 258 B7R0.5 NC(CCO)C(O)=O AK-41514 [0,2,0,0,0,0|1,0,0]=3 259 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.5 O=C(O)C(N)CCN AK-44002 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.5 O=C(O)C(O)CCN AK-75839 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,2,0,0,0,0|0,0,1]=3 272 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.7 CC#CC(OCC)=O AK-44989 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.7 CCOC(=O)CCBr AK-76993 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.7 CCOC(=O)CCO AK-41251 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.7 O=C(COC)COC AK116819 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.7 O=C(NCC)NCC AK116700 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.7 O=C(OCC)C#CBr AK127753 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.7 O=C(OCC)CCN AK-49791 [0,2,0,0,0,0|1,0,0]=3 281 B7R0.7 O=C(OCC)CNC AK-44190 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.7 O=C(OCC)CNN AK-50556 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.7 O=C(OCC)OCCl AK128867 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.10 CCC(N)C(OC)=O AK115477 [0,2,0,0,0,0|1,0,0]=3 286 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,2,0,0,0,0|1,0,0]=3 287 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.10 COC(O)C(=O)OC AK-33946 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [0,2,0,0,0,0|0,0,2]=4 291 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.10 O=C(OC)C(Br)CO AK142725 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.10 O=C(OC)C(N)CO AK-44174 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.9 CS(=O)(=O)CC(O)=O AK-82795 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.9 O=C([O-])C[N+](C)(C)C AK161873 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,2,0,0,0,0|1,0,0]=3 311 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,2,0,0,0,0|1,0,0]=3 317 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O AK-81288 [0,2,0,0,0,0|0,0,0]=2 318 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,2,0,0,0,0|1,0,0]=3 319 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,2,0,0,0,0|0,0,0]=2 320 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.16 O=C(C(C(N)=O)N)N AK-48787 [0,2,0,0,0,0|1,0,1]=4 322 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,2,0,0,0,0|0,0,0]=2 323 B7R0.13 BrC[C@](C(=O)O)(C)O AK-34422 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.13 CC(C)(CF)C(O)=O AK-77531 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.13 CCC(C)(C)C(O)=O AK-54450 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.13 NCC(C(=O)N)(C)C AK-34692 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.13 N[C@@](C(O)=O)(CC)C AK-81295 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.13 N[C@](C(O)=O)(CC)C AK-81168 [0,2,0,0,0,0|1,0,0]=3 329 B7R0.13 N[C@](CO)(C)C(O)=O AK-33622 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.13 O=C(O)C(C)(C)CO AK113909 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.15 CC(N(CC)CC)=O AK105973 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.15 CCC(CC)C([O-])=O AK161891 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.4 C#CCCCC(O)=O AK112298 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,2,0,0,0,0|1,0,0]=3 335 B7R0.4 CC(OCCCCl)=O AK167628 [0,2,0,0,0,0|1,0,0]=3 336 B7R0.4 COCCCC(O)=O AK-76729 [0,2,0,0,0,0|1,0,0]=3 337 B7R0.4 NC(OCCCC)=O AK116656 [0,2,0,0,0,0|0,0,0]=2 338 B7R0.4 O=C(N)COCCCl AK113880 [0,2,0,0,0,0|0,0,0]=2 339 B7R0.4 O=C(O)CCCCBr AK113954 [0,2,0,0,0,0|1,0,0]=3 340 B7R0.4 O=C(O)CCCCCl AK139351 [0,2,0,0,0,0|1,0,0]=3 341 B7R0.4 O=C(O)CCCCO AK198817 [0,2,0,0,0,0|1,0,0]=3 342 B7R0.4 O=C(O)\C=C\OCC AK-46090 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,2,0,0,0,0|1,0,1]=4 345 B7R0.6 CC(NNC(C)C)=O AK118752 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.6 O=C([O-])CCC([O-])=O AK397848 [0,2,0,0,0,0|1,0,1]=4 349 B7R0.8 C([P](O)(O)=O)CCN AK-33107 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.8 CCCCS(=O)([O-])=O AK-86030 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.8 CNCCS([O-])(=O)=O AK102435 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.8 CS(=O)(=O)CCCO AK-69410 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.8 NCCCS([O-])(=O)=O AK111415 [0,2,0,0,0,0|2,0,0]=4 354 B7R0.8 O=S(CCCN)(O)=O AK208811 [0,2,0,0,0,0|2,0,0]=4 355 B7R0.8 O=S(N)(NCCC)=O AK162356 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.8 [NH-]S(=O)(NCCC)=O AK161020 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.8 [NH-]S(=O)(NCCC)=O AK548801 [0,2,0,0,0,0|1,0,1]=4 358 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,1,0,0|2,0,0]=4 359 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,1,0,0|2,0,0]=4 360 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,1,0,0|2,0,0]=4 361 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,1,0,0|0,0,0]=2 362 B5R1.5 NC1(C)CC1 AK-51148 [1,0,0,1,0,0|1,0,1]=4 363 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,1,0,0|2,0,0]=4 364 B5R1.1 S1CNCC1 AK340267 [1,0,0,1,0,0|1,0,1]=4 365 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,1,0,1,0,0|1,0,1]=4 366 B7R1.1 COC1=NCCC1 AK-49858 [0,1,0,1,0,0|0,0,2]=4 367 B7R1.1 ClCC1=NCCN1 AK-48901 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.1 NCC1CCCC1 AK-27938 [0,1,0,1,0,0|1,0,1]=4 369 B7R1.1 NCC1NCCC1 AK-26146 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,1,0,1,0,0|1,0,1]=4 371 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.1 NNC1CCCC1 AK-44319 [0,1,0,1,0,0|1,0,1]=4 373 B7R1.1 OCC1CCCN1 AK-40306 [0,1,0,1,0,0|0,0,2]=4 374 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,1,0,1,0,0|0,0,2]=4 375 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,1,0,1,0,0|0,0,2]=4 376 B7R1.2 FC1COC(=O)O1 AK111108 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,1,0,1,0,0|1,0,0]=3 380 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,1,0,1,0,0|1,0,0]=3 381 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,1,0,1,0,0|0,0,1]=3 384 B7R1.2 O=C1CC(N)=NN1 AK-26757 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.2 O=C1CCC(O1)=O AK139125 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.2 O=C1NC(CC1)=O AK550047 [0,1,0,1,0,0|0,0,1]=3 388 B7R1.2 O=C1NC(CN1)=O AK307300 [0,1,0,1,0,0|1,0,1]=4 389 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,1,0,1,0,0|0,0,0]=2 391 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,1,0,1,0,0|0,0,0]=2 392 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,1,0,1,0,0|0,0,0]=2 393 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,1,0,1,0,0|0,0,2]=4 394 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,1,0,1,0,0|0,0,2]=4 395 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,1,0,1,0,0|0,0,2]=4 396 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,1,0,1,0,0|0,0,0]=2 399 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,1,0,1,0,0|1,0,0]=3 401 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.2 OC1CC(N)CC1 AK-64395 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,1,0,1,0,0|0,0,0]=2 404 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.3 C1C(CCOC1)N AK-25779 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.3 CC1NCCOC1 AK-35119 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.3 NC1=NCCCN1 AK128358 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.3 NC1CCSCC1 AK-77885 [0,1,0,1,0,0|1,0,1]=4 418 B7R1.3 NC1CNCCC1 AK-33202 [0,1,0,1,0,0|1,0,1]=4 419 B7R1.3 NN1CCCCC1 AK109255 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,1,0,1,0,0|0,0,2]=4 422 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,1,0,1,0,0|0,0,2]=4 426 B7R1.3 O=C1CCCCO1 AK101117 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.3 O=C1CCCOC1 AK-32516 [0,1,0,1,0,0|1,0,0]=3 428 B7R1.3 O=C1CCOCC1 AK-25731 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.3 O=C1CCSCC1 AK-25499 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.3 O=C1CNCCC1 AK-38925 [0,1,0,1,0,0|0,0,0]=2 431 B7R1.3 O=C1CNCCC1 AK-64363 [0,1,0,1,0,0|0,0,0]=2 432 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.3 O=C1COCCN1 AK-37649 [0,1,0,1,0,0|0,0,0]=2 434 B7R1.3 O=C1CSCCC1 AK112945 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.3 O=C1NCCC=C1 AK110027 [0,1,0,1,0,0|0,0,1]=3 436 B7R1.3 O=C1NCCCN1 AK-40132 [0,1,0,1,0,0|0,0,0]=2 437 B7R1.3 O=C1NCCNC1 AK-26132 [0,1,0,1,0,0|0,0,0]=2 438 B7R1.3 O=C1NCCSC1 AK-94004 [0,1,0,1,0,0|0,0,0]=2 439 B7R1.3 O=C1OCCOC1 AK117129 [0,1,0,1,0,0|1,0,0]=3 440 B7R1.3 O=S1OCCCO1 AK307879 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,1,0,1,0,0|0,0,2]=4 442 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,1,0,1,0,0|0,0,2]=4 443 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.4 NC1CONC1=O AK-87856 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.4 NN1CCCC1=O AK-78653 [0,1,0,1,0,0|0,0,0]=2 446 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,1,0,1,0,0|0,0,2]=4 447 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,1,0,1,0,0|0,0,2]=4 448 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,1,0,1,0,0|0,0,2]=4 450 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,1,0,1,0,0|0,0,2]=4 451 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,1,0,1,0,0|1,0,1]=4 453 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,1,0,0|1,0,1]=4 456 B7R1.4 O=C1CC=NN1C AK128438 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.4 O=C1NCCN1C AK-78526 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,1,0,1,0,0|0,0,0]=2 459 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,1,0,1,0,0|0,0,0]=2 460 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,1,0,1,0,0|0,0,0]=2 461 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.4 OC1C(N)CCC1 AK-50447 [0,1,0,1,0,0|0,0,2]=4 465 B7R1.4 OC1CCNC1=O AK-39164 [0,1,0,1,0,0|0,0,0]=2 466 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,1,0,1,0,0|0,0,2]=4 467 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,1,0,1,0,0|0,0,2]=4 468 B7R1.4 S=C1N(C)CCC1 AK308101 [0,1,0,1,0,0|0,1,0]=3 469 B7R1.10 N#CC1CC(C1)=O AK-33992 [0,1,0,1,0,0|1,0,1]=4 470 B7R1.10 N[C@H]1C[C@H](OC)C1 AK171868 [0,1,0,1,0,0|1,0,1]=4 471 B7R1.10 O=C1CC(CBr)C1 AK135042 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.22 N=C(C1CC1)NO AK-49844 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.12 O=C(C1C(F)C1)O AK-73995 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.16 O[C@@]1(C)C[C@@H](N)C1 AK188530 [0,1,0,1,0,0|1,0,1]=4 477 B7R1.18 C(=O)(C1OCC1)O AK-38212 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.18 O=C(C1CCC1)N AK117552 [0,1,0,1,0,0|0,0,0]=2 480 B7R1.18 O=C(C1CNC1)O AK-21934 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.18 OC(=O)C1CCN1 AK-27256 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.19 O=C(C1(C)CC1)N AK-86702 [0,1,0,1,0,0|0,0,0]=2 484 B7R1.19 O=C(C1(CC1)N)O AK-26748 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.19 OC(=O)C1(Br)CC1 AK-81458 [0,1,0,1,0,0|1,0,0]=3 486 B7R1.14 CC1(C)NCCC1 AK-76555 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.14 O=S1(NCCN1)=O AK-79461 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.14 O=S1(OCCC1)=O AK-54023 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.26 C1(CC1)[S](=O)(=O)N AK-23883 [0,1,0,1,0,0|1,0,0]=3 490 B7R2.5 NC12CC(C1)C2 AK165153 [0,0,0,2,0,0|1,0,1]=4