0 B5R0.1 CC(N)CCO AK-81869 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CN(CCBr)C AK-35597 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C[C@@H](N)CCC AK608015 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C[C@@H](N)CCO AK-41725 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 C[C@@H](O)CCO AK-86774 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 C[C@H](N)CCC AK171191 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 C[C@H](N)CCO AK-41726 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 NCCC(N)=O AK-26218 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 NCCC(O)=O AK-41261 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 NOCC(C)=C AK550273 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 NOCC(C)C AK-83418 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 O=CCN(C)C AK136086 [0,0,0,0,0,0|1,0,3]=4 12 B5R0.1 O=CCN(C)C AK172998 [0,0,0,0,0,0|1,0,3]=4 13 B5R0.1 [O+](=C(N)N)CC AK-50388 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(C)ON AK-81639 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(NN)=N AK114707 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CC(NN)C AK-46728 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C[C@@H](N)CO AK-46726 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 C[C@@H](O)CCl AK-73033 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@@H](O)CN AK-76466 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C[C@@H](O)CO AK158454 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 C[C@H](N)CN AK-51561 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C[C@H](O)CN AK-72977 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C[C@H](O)CO AK111153 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 C\C(N)=N\O AK-91616 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 N=C(N)CCl AK113548 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 N=C(N)CO AK-40243 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 N=C(N)OC AK-48234 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 N=C(N)SC AK-44125 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 NC(=O)CI AK110349 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 NC(C)CO AK-46466 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 NC(NC)=N AK-73103 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 NC(OC)=N AK116935 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 NCC(N)=O AK-41459 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 O=C(N)CBr AK-50036 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 O=C(N)NO AK128930 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 O=C(O)CN AK-77854 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 O=C([O-])CN AK114167 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 ON=C(Br)Br AK-21976 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 ONC(C)C AK117015 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.2 BrCCNC AK153488 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 C=CCCN AK165308 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 ClCCNC AK123132 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 NNCCO AK-41264 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 OCCCBr AK-77055 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.1 C#C\C(C)=C/CO AK116959 [0,1,0,0,0,0|0,0,1]=2 49 B6R0.1 O=C(NCC)CN AK-65785 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 O=C(OC)CCBr AK-91613 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 O=C(OC)CCN AK-46776 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 O=C(OC)CCO AK-83355 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.1 O=C(OC)OCC AK397345 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 O=C(OCC)CO AK-98662 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.2 CC(C)CB(O)O AK-26354 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.2 CC(C)NC(C)C AK101661 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.2 CC(NC(C)C)=O AK-86542 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,1,0,0,0,0|0,0,1]=2 64 B6R0.2 NC(C)CC(C)C AK205814 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,1,0,0,0,0|0,0,2]=3 66 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 CC(C)C(N)CO AK-62680 [0,1,0,0,0,0|0,0,2]=3 68 B6R0.3 CC(C)\C(N)=N\O AK117017 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.3 CC(N(CC)C)=O AK149250 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.3 CCC(N(C)C)=O AK105976 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.3 NC(CO)C(O)=O AK-41368 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 O=C(N(C)C)CN AK-33842 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.3 O=C(N(C)C)CN AK-39204 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.3 O=C(O)C(O)CO AK114312 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,1,0,0,0,0|0,0,2]=3 81 B6R0.4 CC(C)NCCCl AK110294 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.4 CC(C)OCCBr AK110255 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.4 CC(CCCCl)=O AK-48368 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 CC(OCCBr)=O AK165045 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 CN(C)CCCBr AK-35747 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.4 CN(C)CCCCl AK-25287 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.4 CN(C)CCCCl AK113440 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.4 CN(CCNC)C AK-64867 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.4 O=C(N)NCCO AK121931 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.4 O=C(O)CCOC AK-88477 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.4 OCNCC(=O)[O-] AK-79027 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.5 CC(C)(N)CCO AK146046 [0,1,0,0,0,0|0,0,2]=3 93 B6R0.5 ClCC[N+](C)(C)C AK115994 [0,1,0,0,0,0|2,0,1]=4 94 B6R1.2 BrC1=NOC=C1 AK-32851 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.2 C1=C(N=CS1)C AK-27071 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.2 C1=C([NH]N=C1)C AK-47298 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 C1=N[NH]C=C1C AK-46480 [0,0,0,1,0,0|2,0,1]=4 98 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,1,0,0|1,0,2]=4 99 B6R1.2 CC1=CN=CS1 AK-40769 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.2 CC1=CNC=C1 AK-59534 [0,0,0,1,0,0|1,0,2]=4 101 B6R1.2 CC1=CNN=N1 AK-38543 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 CC1=NON=C1 AK-49621 [0,0,0,1,0,0|2,0,0]=3 103 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,1,0,0|1,0,2]=4 104 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,1,0,0|2,0,1]=4 105 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,1,0,0|1,0,2]=4 106 B6R1.2 IC1=CON=C1 AK-24636 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 IC1COCC1 AK162325 [0,0,0,1,0,0|1,0,2]=4 108 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,1,0,0|1,0,2]=4 109 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 NC1=CON=C1 AK-24626 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 NC1=CON=C1 AK-24638 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,1,0,0|3,0,0]=4 113 B6R1.2 NC1=NOC=C1 AK-25502 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 NC1COCC1 AK-25569 [0,0,0,1,0,0|1,0,2]=4 115 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,1,0,0|1,0,2]=4 116 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,1,0,0|1,0,2]=4 117 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,1,0,0|1,0,1]=3 119 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|1,1,1]=4 120 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,0,0,1,0,0|1,0,2]=4 122 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,0,0,1,0,0|1,0,2]=4 123 B6R1.3 NCCC1CC1 AK-88169 [0,0,0,1,0,0|1,0,2]=4 124 B6R1.3 OCCN1CC1 AK-85970 [0,0,0,1,0,0|1,0,1]=3 125 B6R1.5 NC1CC(=O)C1 AK-41683 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.5 NC1CC(C)C1 AK131965 [0,0,0,1,0,0|1,0,2]=4 127 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [0,0,0,1,0,0|1,0,2]=4 128 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [0,0,0,1,0,0|1,0,2]=4 129 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,1]=4 130 B3R0.1 CONC AK-41541 [2,0,0,0,0,0|2,0,0]=4 131 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,0,1]=4 132 B3R0.2 CB(O)O AK-47269 [2,0,0,0,0,0|2,0,0]=4 133 B3R0.2 CC(N)=O AK-97258 [2,0,0,0,0,0|1,0,1]=4 134 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|1,0,0]=3 135 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|1,0,0]=3 136 B3R0.2 CC([O-])=O AK-98692 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.3 BrCC(=C)CBr AK101659 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.3 C(C(CO)=C)O AK-73078 [1,1,0,0,0,0|0,0,1]=3 139 B5R0.3 C=CC(NC)=O AK115593 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.3 CC(CCl)CBr AK112650 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.3 CCC(CN)=O AK-38468 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.3 CCC(CO)=O AK149491 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.3 CCC(N)CO AK-57405 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.3 CC[C@@H](O)CO AK110229 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.3 CC[C@H](N)CO AK-86460 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.3 CC[C@H](O)CO AK110230 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.3 CNC(=O)CCl AK-82796 [1,1,0,0,0,0|2,0,0]=4 148 B5R0.3 C[C@@H](OC)CN AK153940 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.3 NCC(OC)=O AK-43994 [1,1,0,0,0,0|2,0,0]=4 150 B5R0.3 NNC(=O)CO AK-89508 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.3 O=C(CO)CO AK-46682 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.3 O=C(OC)CO AK-98661 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.3 OC[C@@H](O)CN AK-35849 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.3 OC[C@H](O)CN AK-36032 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.4 CC(C)(C)CN AK-64580 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.4 CC(O)(C)CN AK-37803 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.4 CC(O)(C)CO AK112021 [1,1,0,0,0,0|0,0,1]=3 158 B5R0.4 ONC(C)(C)C AK-47440 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.4 ONC(C)(C)C AK118975 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.5 C(C(=O)O)(=O)O AK-40231 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.5 C=C(F)C(O)=O AK107642 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.5 CC(B(O)O)C AK-46096 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|0,0,2]=4 164 B5R0.5 CC(O)C([O-])=O AK114515 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,1,0,0,0,0|1,0,1]=4 169 B5R0.5 O=C(O)C(O)=O AK116416 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.2 C=CCCCO AK325629 [1,1,0,0,0,0|0,0,2]=4 171 B5R0.2 NOCCCC AK-85835 [1,1,0,0,0,0|0,0,2]=4 172 B5R0.2 OCCCCN AK-58038 [1,1,0,0,0,0|0,0,2]=4 173 B5R0.2 OCCCNC AK112615 [1,1,0,0,0,0|0,0,2]=4 174 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,2,0,0,0,0|0,0,2]=4 177 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,2,0,0,0,0|0,0,2]=4 178 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,2,0,0,0,0|0,0,1]=3 179 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.7 CCOC(=O)CCO AK-41251 [0,2,0,0,0,0|1,0,1]=4 182 B7R0.10 CCC(N(OC)C)=O AK130253 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.10 CON(C)C(=O)CCl AK-36069 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [0,2,0,0,0,0|0,0,2]=4 185 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.10 O=C(OC)C(Br)CO AK142725 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.10 O=C(OC)C(N)CO AK-44174 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,2,0,0,0,0|1,0,1]=4 192 B7R0.10 OC\C(Br)=C(Br)\CO AK146734 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,2,0,0,0,0|1,0,1]=4 194 B7R0.12 CCN(CC)CCO AK109514 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.14 N[C@@H](C(C)(C)C)CO AK-41272 [0,2,0,0,0,0|0,0,2]=4 198 B7R0.14 N[C@H](C(C)(C)C)CO AK-45084 [0,2,0,0,0,0|0,0,2]=4 199 B7R0.15 CC(C)C(CC)CO AK-40568 [0,2,0,0,0,0|0,0,2]=4 200 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.8 C[Si](C#CCO)(C)C AK-48309 [0,2,0,0,0,0|0,1,1]=4 205 B7R0.8 OC\C=C\[Si](C)(C)C AK307454 [0,2,0,0,0,0|0,1,0]=3 206 B5R1.2 IC1COC1 AK115961 [1,0,0,1,0,0|1,0,1]=4 207 B5R1.2 NC1COC1 AK-49035 [1,0,0,1,0,0|1,0,1]=4 208 B5R1.2 NC1COC1 AK122281 [1,0,0,1,0,0|1,0,1]=4 209 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,1,0,0|1,0,0]=3 210 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,1,0,0|2,0,0]=4 211 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,1,0,0|1,1,0]=4 212 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,1,0,0|2,0,0]=4 213 B5R1.2 OC1COC1 AK-32210 [1,0,0,1,0,0|1,0,1]=4 214 B5R1.3 CNC1CC1 AK-50625 [1,0,0,1,0,0|1,0,1]=4 215 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.1 BrCC1CCOC1 AK-51697 [0,1,0,1,0,0|0,0,2]=4 217 B7R1.1 CNC1COCC1 AK-48592 [0,1,0,1,0,0|0,0,2]=4 218 B7R1.1 COC1=NCCC1 AK-49858 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.1 NCC1CCOC1 AK-33831 [0,1,0,1,0,0|0,0,2]=4 220 B7R1.1 NCC1COCC1 AK-50648 [0,1,0,1,0,0|0,0,2]=4 221 B7R1.1 OCC1=COC=C1 AK-46116 [0,1,0,1,0,0|0,0,2]=4 222 B7R1.1 OCC1=NOC=C1 AK-25087 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.1 OCC1COCC1 AK-51698 [0,1,0,1,0,0|0,0,2]=4 224 B7R1.1 OCC1OCOC1 AK112875 [0,1,0,1,0,0|1,0,1]=4 225 B7R1.1 OC[C@H]1COCC1 AK129134 [0,1,0,1,0,0|0,0,2]=4 226 B7R1.2 CC1=NOC(N)=C1 AK-33327 [0,1,0,1,0,0|1,0,1]=4 227 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,1,0,1,0,0|1,0,1]=4 228 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,1,0,0|0,0,2]=4 229 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,1,0,1,0,0|1,0,1]=4 230 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,1,0,0|1,0,1]=4 232 B7R1.2 OC1CN(C)CC1 AK-29830 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.3 CC1NCCOC1 AK-35119 [0,1,0,1,0,0|0,0,2]=4 236 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,1,0,1,0,0|0,0,2]=4 237 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,1,0,1,0,0|0,0,2]=4 238 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,1,0,1,0,0|0,0,2]=4 239 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,1,0,1,0,0|0,0,2]=4 240 B7R1.3 O=C1CCCOC1 AK-32516 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.3 O=C1CCOCC1 AK-25731 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.3 O=C1COCCN1 AK-37649 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.3 O=C1OCCOC1 AK117129 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.4 CC1=C(Br)C=NO1 AK112982 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.4 CC1=CC=NN1C AK-36127 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.4 CC1=CNN=C1C AK111434 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.4 CC1=CNN=C1C AK117330 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.4 CC1=CSC=C1C AK-45919 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|0,1,1]=4 251 B7R1.4 S=C1N(C)CCC1 AK308101 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.6 N#CC=C1CNC1 AK682491 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.6 N#CC=C1COC1 AK-96392 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.6 OCCN1CCC1 AK116274 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.22 N=C(C1CC1)NO AK-49844 [0,1,0,1,0,0|1,0,1]=4