0 B6R0.1 CCCC(NN)=O AK-95909 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCC[C@H](N)CO AK-81386 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 N#CC[C@H](O)CCl AK-33074 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 OCC(O)CNC AK-68394 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CC(N)CCO AK-81869 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CCCB(O)O AK-47948 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 C[C@@H](N)CCO AK-41725 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C[C@@H](N)COC AK-72611 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C[C@@H](O)CCO AK-86774 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.1 C[C@H](N)CCC AK171191 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 C[C@H](N)CCO AK-41726 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 NCCC(O)=O AK-41261 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 O=P(CCN)O AK477259 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.2 BrCCCC#N AK110352 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 C(CCN)CN AK-46742 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 C=CCCCO AK325629 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.2 ClCCCCBr AK105174 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 ICCCCCl AK116716 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 ICCCCI AK112667 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 N#CCCNC AK116969 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 N#CCCOC AK-46138 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 NCCCCBr AK-51681 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 NOCCCC AK-85835 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.2 OCCCCN AK-58038 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 OCCCNC AK112615 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 C(C(CN)O)N AK-49066 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 C=CC(NC)=O AK115593 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.3 C=C[C@H](N)CO AK-78923 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 CCC(N)CO AK-57405 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 CC[C@@H](O)CO AK110229 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.3 CC[C@H](N)CO AK-86460 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 CC[C@H](O)CO AK110230 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.3 NOC(C=C)C AK550274 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.3 O=C[C@H](O)CO AK122382 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.3 OC(CCl)CN AK123258 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 OC[C@@H](O)CN AK-35849 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 OC[C@H](O)CN AK-36032 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 O[C@H](CCl)CN AK123304 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.3 C=CC(NCCN)=O AK142923 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.3 CCCCC(O)CO AK161793 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.5 COCC(N)C(O)=O AK-87739 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.5 NC(CCO)C(O)=O AK-41514 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.5 O=C(O)C(N)CCN AK-44002 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.5 O=C(O)C(O)CCN AK-75839 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.7 C(OC)C(O)COC AK-46679 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.10 OC[C@@H](O)[C@@H](O)CO AK128364 [0,1,0,0,0,0|2,0,1]=4 65 B7R1.1 BrCC1CCCC1 AK-88361 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.1 BrCC1OCCO1 AK110803 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.1 C(C1CCCC1)O AK-46653 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,0,0,1,0,0|1,0,2]=4 69 B7R1.1 NCC1CCCC1 AK-27938 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 NCC1NCCC1 AK-26146 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.1 NNC1CCCC1 AK-44319 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.1 OCC1CCCN1 AK-40306 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 OCC1OCCC1 AK106959 [0,0,0,1,0,0|1,0,1]=3 76 B7R1.1 OCC1OCCO1 AK159792 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.1 OCC1OCOC1 AK112875 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.2 OC1CC(N)CC1 AK-64395 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.2 OC1CN(C)CC1 AK-29830 [0,0,0,1,0,0|1,0,2]=4 85 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,0,0,1,0,0|1,0,2]=4 86 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,0,0,1,0,0|1,0,2]=4 87 B7R1.3 BrC1CCCCC1 AK-77686 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.3 C1CC(CCO1)O AK-25581 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.3 NC1CNCCC1 AK-33202 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.3 O1CCCC(C1)O AK-32117 [0,0,0,1,0,0|1,0,1]=3 99 B7R1.3 O=C1COCC=C1 AK120133 [0,0,0,1,0,0|1,0,2]=4 100 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.3 OC1CCNCC1 AK-46522 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.3 OC1CCNCC1 AK-80456 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.3 OC1COCOC1 AK-85976 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.4 CC1CSCC1=O AK104742 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.4 NN1CCCC1=O AK-78653 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,0,0,1,0,0|1,0,1]=3 109 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,0,0,1,0,0|1,0,1]=3 110 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,0,0,1,0,0|1,0,1]=3 112 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,0,0,1,0,0|1,0,1]=3 113 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.4 O=C1C(N)CCS1 AK117085 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.4 O=C1OCCC1N AK543042 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.4 OC1C(N)CCC1 AK-50447 [0,0,0,1,0,0|1,0,1]=3 124 B7R1.4 OC1CCNC1=O AK-39164 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,0,0,1,0,0|1,0,1]=3 126 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,0,0,1,0,0|1,0,1]=3 130 B7R1.4 S=C1N(C)CCC1 AK308101 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.25 O=CC1(C)COC1 AK-64338 [0,0,0,1,0,0|3,0,0]=4 132 B4R0.1 CCB(O)O AK-25979 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 C[C@@H](O)CCl AK-73033 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 C[C@@H](O)CN AK-76466 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 C[C@@H](O)CO AK158454 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.1 C[C@H](O)CN AK-72977 [2,0,0,0,0,0|1,0,1]=4 137 B4R0.1 C[C@H](O)CO AK111153 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.2 BrCCNC AK153488 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.2 C(Br)CCN AK-73071 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.2 C=CCCN AK165308 [2,0,0,0,0,0|1,0,0]=3 141 B4R0.2 C=CC[Pd]Cl AK327212 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.2 ClCCNC AK123132 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.2 ICCCI AK126057 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.2 NCCCCl AK164441 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.2 NNCCC AK-76893 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.2 NNCCO AK-41264 [2,0,0,0,0,0|2,0,0]=4 147 B4R0.2 NOCC=C AK208821 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.2 OCCCBr AK-77055 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.2 CC(C)CB(O)O AK-26354 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.2 NC(C)CC(C)C AK205814 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.3 C(C(N)C(O)=O)C AK-46591 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.4 CCCCB(O)O AK-44016 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.4 O=C(O)CCCCl AK113749 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.4 O=C(O)CCCN AK-43987 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.4 O=C(O)CCNC AK155866 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.4 O=C(O)CCOC AK-88477 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.6 BrCCCCCBr AK134932 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.6 C(CCO)CCBr AK-72934 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.6 C=CCCCCBr AK-48086 [1,1,0,0,0,0|0,0,0]=2 171 B6R0.6 CCCNCCO AK-60790 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.6 C\C=C\CCCO AK-46431 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.6 ClCCCCC=O AK110863 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.6 FCCCCCBr AK-48229 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.6 O=CCCCCO AK-40206 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.6 OCCCCNC AK112657 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.9 COC(OC)C=O AK-65152 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.2 C([C@@H]([C@H](C(=O)[O-])O)O)O AK-74155 [0,2,0,0,0,0|2,0,0]=4 179 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,2,0,0,0,0|2,0,0]=4 180 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,2,0,0,0,0|2,0,0]=4 182 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,2,0,0,0,0|1,0,0]=3 185 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,2,0,0,0,0|1,0,0]=3 188 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.3 O=CC[C@@H]([C@@H](CO)O)O AK-25106 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.6 C=CC(CCCCC)=O AK164478 [0,2,0,0,0,0|0,0,2]=4 193 B8R0.6 C=CC(O)CCCCC AK164470 [0,2,0,0,0,0|0,0,0]=2 194 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,2,0,0,0,0|2,0,0]=4 195 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.8 NC(CCSC)C(O)=O AK-81252 [0,2,0,0,0,0|2,0,0]=4 197 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.8 O=C([O-])C(O)CCSC AK109150 [0,2,0,0,0,0|1,0,0]=3 203 B8R0.9 C=CC(OCC(O)C)=O AK110453 [0,2,0,0,0,0|0,0,2]=4 204 B8R0.11 COC(OC)CCCCl AK106086 [0,2,0,0,0,0|1,0,1]=4 205 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,1,0,0|1,0,1]=4 207 B6R1.2 N1CCC(O)C1 AK-27184 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,1,0,0|1,0,1]=4 209 B6R1.2 OC1CNCC1 AK-53403 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.2 OC1CNCC1 AK134933 [1,0,0,1,0,0|1,0,1]=4 211 B6R1.2 O[C@@H]1CCNC1 AK-32737 [1,0,0,1,0,0|1,0,1]=4 212 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,1,0,0|1,0,1]=4 213 B6R1.2 O[C@@H]1CNCC1 AK-32613 [1,0,0,1,0,0|1,0,1]=4 214 B6R1.2 O[C@@H]1CNCC1 AK-33013 [1,0,0,1,0,0|1,0,1]=4 215 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,1,0,0|1,0,1]=4 216 B6R1.2 O[C@H]1CNCC1 AK-25701 [1,0,0,1,0,0|1,0,1]=4 217 B6R1.5 NC1CC(C)C1 AK131965 [1,0,0,1,0,0|1,0,1]=4 218 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [1,0,0,1,0,0|1,0,1]=4 219 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [1,0,0,1,0,0|1,0,1]=4 220 B6R1.10 NC1(C)CCC1 AK117597 [1,0,0,1,0,0|1,0,1]=4 221 B6R1.10 OC1(C)CNC1 AK142848 [1,0,0,1,0,0|1,0,1]=4 222 B6R1.10 OC1(C)COC1 AK112914 [1,0,0,1,0,0|1,0,1]=4 223 B6R1.11 CC(N)C1CC1 AK-59911 [1,0,0,1,0,0|1,0,1]=4 224 B6R1.11 C[C@H](N)C1CC1 AK166914 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.11 OB(C1CC1)O AK-25947 [1,0,0,1,0,0|2,0,0]=4 226 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,1,0,0|1,0,0]=3 227 B6R1.1 C1CCNNC1 AK-81490 [1,0,0,1,0,0|2,0,0]=4 228 B6R1.1 O1NCCCC1 AK156568 [1,0,0,1,0,0|2,0,0]=4 229 B6R1.1 [NH2+]1CCCCC1 AK-41004 [1,0,0,1,0,0|1,0,1]=4 230 B6R1.1 [NH2+]1CCCCC1 AK-97257 [1,0,0,1,0,0|1,0,1]=4 231 B6R1.6 CNC1CCC1 AK157567 [1,0,0,1,0,0|1,0,1]=4 232 B6R1.6 NCC1CCC1 AK-40089 [1,0,0,1,0,0|1,0,1]=4 233 B6R1.6 NNC1CCC1 AK-51694 [1,0,0,1,0,0|2,0,0]=4 234 B6R1.7 OC1(CN)CC1 AK-77569 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.1 OC[C@@H]1NC[C@H](O)C1 AK516296 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.1 O[C@@H]1CO[C@H](CO)C1 AK131139 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.1 O[C@H]1CN[C@H](CO)C1 AK158520 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.4 NC1CCCC(C1)O AK-36106 [0,1,0,1,0,0|0,0,2]=4 239 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,1,0,1,0,0|0,0,2]=4 240 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,1,0,1,0,0|0,0,2]=4 243 B8R1.2 C1C(OCCC1)ON AK-26246 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.2 N#CC1CNCCO1 AK-77728 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.2 NCC1OCCOC1 AK143280 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.2 NC[C@H]1OCCOC1 AK171792 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.2 OCC1CCC=CC1 AK-63968 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.2 OCC1CCCCC1 AK-47687 [0,1,0,1,0,0|0,0,2]=4 251 B8R1.2 OCC1CNCCC1 AK-26981 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.2 OCC1CNCCO1 AK-30231 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.2 OCC1NCCCC1 AK-47618 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.2 ONC1CCCCC1 AK113259 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.2 ONC1CCCCC1 AK118974 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,1,0,1,0,0|0,0,2]=4 263 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,1,0,1,0,0|0,0,2]=4 264 B8R1.3 O=C1COC(O)C=C1 AK-82130 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.3 OC1CCC(O)CC1 AK114734 [0,1,0,1,0,0|0,0,2]=4 266 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,1,0,1,0,0|0,0,2]=4 267 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,1,0,1,0,0|0,0,2]=4 269 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.5 CC1CNCCC1O AK-34735 [0,1,0,1,0,0|0,0,2]=4 272 B8R1.5 CC1CNCCC1O AK-77366 [0,1,0,1,0,0|0,0,2]=4 273 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.5 NC1CCCNC1=O AK-32522 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,1,0,1,0,0|0,0,2]=4 278 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.5 O=C1NCCCC1N AK-58866 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.5 OC1C(N)CCCC1 AK116055 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,1,0,1,0,0|0,0,2]=4 288 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,1,0,1,0,0|0,0,2]=4 289 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,1,0,1,0,0|0,0,2]=4 290 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,1,0,1,0,0|0,0,2]=4 291 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.52 NCC1(CCCC1)O AK-70915 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.7 O=C(C1NCCC1)N AK-65799 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,1,0,1,0,0|1,0,0]=3 302 B8R1.54 O=C(O)[C@@H](N)C1CC1 AK-44348 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.78 NC1(CCC1)C(=O)O AK-40099 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.78 O=C(C1(C)CCC1)O AK-78655 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.8 CCCC1=NC=CS1 AK-60893 [0,1,0,1,0,0|0,1,1]=4 307 B8R1.8 CCCN1C=CN=C1 AK111106 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.8 N#CCC1CCCO1 AK-77313 [0,1,0,1,0,0|0,0,2]=4 309 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.11 O=C1C(C#N)CCC1 AK-44929 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.72 OC1(C)CCCCC1 AK161821 [0,1,0,1,0,0|0,0,2]=4 316 B8R2.34 C12CC(CO1)NC2 AK-64970 [0,0,0,2,0,0|1,0,1]=4 317 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [0,0,0,2,0,0|1,0,1]=4