0 B7R0.1 BrCCCCCC#N AK-81731 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 BrCCNCCCN AK-32244 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C(CCCBr)CCBr AK-48407 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C(CCCCC#C)O AK-30082 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 C=CCCCCCBr AK-40908 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 C=CCCCCNC AK142907 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 COCCOCCN AK-67670 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 ICCCCCCI AK165087 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.1 NCCCCCCN AK129024 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 NCCCNCCO AK-50569 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 OCCCCCCBr AK110830 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.1 OCCCCCCCl AK-47999 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.1 OCCCCCCN AK-84482 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.6 BrCCCCCBr AK134932 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.6 BrCCNCCBr AK-72773 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 C(CCO)CCBr AK-72934 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 C=CCCCCBr AK-48086 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 CCCNCCO AK-60790 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.6 C\C=C\CCCO AK-46431 [1,0,0,0,0,0|0,0,3]=4 19 B6R0.6 ClCCCCC=O AK110863 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.6 ClCCNCCCl AK-44109 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.6 ClCCOCCO AK114565 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 FCCCCCBr AK-48229 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.6 O=CCCCCO AK-40206 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.6 OCCCCNC AK112657 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.4 BrCCCCCCCBr AK109234 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.4 C(CCCCO)CCBr AK-41195 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.4 C=CCCCCCCCl AK164503 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [0,1,0,0,0,0|0,0,3]=4 29 B8R0.4 OCCCCCCC#C AK-48557 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.4 OCCCCCCCO AK-44723 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.4 OCCCNCCCO AK-33226 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.6 C=CC(CCCCC)=O AK164478 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.6 C=CC(O)CCCCC AK164470 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.7 C#CCCCCC(O)=O AK-40047 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.7 C(=N)(NCCCCN)N AK-49694 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.7 CC(O)CCCCCC AK113715 [0,1,0,0,0,0|0,0,2]=3 38 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,1,0,0,0,0|0,0,2]=3 39 B8R0.7 NC(NCCCCN)=N AK-81861 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.7 NC(NCCCCN)=N AK608136 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.7 O=C(O)CCCCCN AK144762 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.7 O=C(O)CCCCCO AK-41893 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.7 O=C(O)COCCOC AK-33517 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.7 O=C([O-])CCCCCO AK142914 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.7 O=C([O-])CCNCCN AK545212 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.2 BrCC1CCCCC1 AK-34379 [0,0,0,1,0,0|1,0,1]=3 49 B8R1.2 BrCC1CCOCC1 AK-33044 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.2 C#CC1CCCNC1 AK-40565 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.2 C(C1CCOCC1)O AK-25438 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.2 C1C(CCOC1)C#N AK-35140 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.2 C1C(OCCC1)ON AK-26246 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,0,0,1,0,0|1,0,1]=3 55 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.2 CNC1CCCNC1 AK-39351 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.2 CNC1CCNCC1 AK-81357 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.2 CNC1CCOCC1 AK-29001 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.2 COC1CCNCC1 AK-86244 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.2 ClCC1NCCCC1 AK-78057 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.2 ICC1CCCCC1 AK126313 [0,0,0,1,0,0|1,0,1]=3 62 B8R1.2 ICC1CCOCC1 AK-51037 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.2 N#CC1CCCCC1 AK117259 [0,0,0,1,0,0|1,0,1]=3 64 B8R1.2 N#CC1CCNCC1 AK-76369 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.2 N#CC1CNCCC1 AK-84454 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.2 NCC1CCOCC1 AK-33095 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.2 NNC1CCCCC1 AK-51695 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.2 NNC1CCOCC1 AK-40761 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.2 O=CN1CCOCC1 AK-47431 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.2 OCC1CCC=CC1 AK-63968 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.2 OCC1CCCCC1 AK-47687 [0,0,0,1,0,0|0,0,2]=3 73 B8R1.2 OCC1CNCCC1 AK-26981 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.2 OCC1NCCCC1 AK-47618 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.2 ONC1CCCCC1 AK113259 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.2 ONC1CCCCC1 AK118974 [0,0,0,1,0,0|1,0,1]=3 80 B8R1.5 BrC1CCCCC1Br AK110889 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.5 CC1=NCCCN1C AK-78909 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.5 CC1CNCCC1O AK-34735 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.5 CC1CNCCC1O AK-77366 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.5 CC1N(C)CCNC1 AK-27680 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.5 FC1CCCCC1=O AK-79364 [0,0,0,1,0,0|1,0,0]=2 87 B8R1.5 NC1CCCCC1=O AK110393 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.5 NC1CCCNC1=O AK-32522 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,0,0,1,0,0|1,0,1]=3 92 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,0,0,1,0,0|1,0,2]=4 94 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,0,0,1,0,0|1,0,2]=4 95 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,0,0,1,0,0|1,0,0]=2 97 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,0,0,1,0,0|1,0,0]=2 98 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,0,0,1,0,0|1,0,1]=3 99 B8R1.5 O=C1N(C)CCNC1 AK-38983 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.5 O=C1NCCCC1N AK-58866 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.5 O=C1NCCCC1O AK-25552 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.5 OC1C(N)CCCC1 AK116055 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,0,0,1,0,0|1,0,2]=4 107 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,0,0,1,0,0|1,0,2]=4 108 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,0,0,1,0,0|1,0,2]=4 109 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.8 BrCCN1CCCC1 AK-87121 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.8 C#CCN1CCCC1 AK172817 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.8 COC[C@H]1NCCC1 AK-81364 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.8 ClCCN1CCCC1 AK-36224 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.8 N#CCC1CCCO1 AK-77313 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.8 N#CCN1CCCC1 AK116272 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.8 N#CC[NH+]1CCCC1 AK159463 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.8 NCCC1CCCC1 AK-84118 [0,0,0,1,0,0|1,0,1]=3 118 B8R1.8 OCC[C@H]1CNCC1 AK192539 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,0,0,1,0,0|1,0,2]=4 120 B8R1.11 CN1[C@H](CBr)CCC1 AK159349 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.11 C[C@H]1CNC[C@@H]1CO AK-43373 [0,0,0,1,0,0|1,0,2]=4 122 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.11 O=C1C(C#N)CCC1 AK-44929 [0,0,0,1,0,0|1,0,1]=3 124 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,0,0,1,0,0|0,0,0]=1 125 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,0,0,1,0,0|1,0,0]=2 127 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,0,0,1,0,0|1,0,2]=4 128 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,0,0,1,0,0|1,0,2]=4 129 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.22 CC1NCCNCC1 AK-34218 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,1,0,0|1,0,0]=2 132 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,1,0,0|0,0,2]=3 134 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,1,0,0|1,0,0]=2 138 B8R1.49 C/1=C/CC\C=C/CC1 AK-32988 [0,0,0,1,0,0|1,0,2]=4 139 B8R1.49 C/1=C/CC\C=C/CC1 AK109339 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.49 C/1=C/CC\C=C/CC1 AK112792 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.49 C/1=C/CC\C=C/CC1 AK114035 [0,0,0,1,0,0|1,0,2]=4 142 B5R0.2 C(CCN)CN AK-46742 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.2 C=CCCCO AK325629 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.2 ClCCCCBr AK105174 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.2 ICCCCCl AK116716 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.2 ICCCCI AK112667 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.2 NCCCCBr AK-51681 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.2 NOCCCC AK-85835 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.2 OCCCCN AK-58038 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.2 OCCCNC AK112615 [2,0,0,0,0,0|1,0,1]=4 151 B7R0.3 CCCCC(O)CO AK161793 [1,1,0,0,0,0|0,0,1]=3 152 B7R0.3 N[C@@H](CCSC)CO AK-81277 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.4 C#CCCCC(O)=O AK112298 [1,1,0,0,0,0|0,0,2]=4 154 B7R0.4 C(CCC#N)C(O)=O AK-40359 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.4 CC(O)CNCCO AK142435 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.4 CC(OCCCCl)=O AK167628 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.4 CCCCCB(O)O AK-46118 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.4 COCCCC(O)=O AK-76729 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.4 NC(OCCCC)=O AK116656 [1,1,0,0,0,0|1,0,0]=3 160 B7R0.4 O=C(N)COCCCl AK113880 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.4 O=C(O)CCCCBr AK113954 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.4 O=C(O)CCCCCl AK139351 [1,1,0,0,0,0|1,0,0]=3 163 B7R0.4 O=C(O)CCCCO AK198817 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [0,2,0,0,0,0|1,0,0]=3 165 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,2,0,0,0,0|1,0,1]=4 166 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,2,0,0,0,0|1,0,1]=4 167 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,2,0,0,0,0|0,0,1]=3 168 B9R0.2 CCCCCCCB(O)O AK145619 [0,2,0,0,0,0|0,0,2]=4 169 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,2,0,0,0,0|0,0,0]=2 170 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,2,0,0,0,0|0,0,0]=2 171 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,2,0,0,0,0|0,0,0]=2 172 B9R0.45 BrCCCCCCCCBr AK-48263 [0,2,0,0,0,0|1,0,1]=4 173 B9R0.45 C#CCCCCCCCO AK117239 [0,2,0,0,0,0|0,0,2]=4 174 B9R0.45 C=CCCCCCCCBr AK161876 [0,2,0,0,0,0|1,0,0]=3 175 B9R0.45 C=CCCCCCCCCl AK164575 [0,2,0,0,0,0|1,0,0]=3 176 B9R0.45 CCCCCCCCCBr AK164444 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.45 OCCCCCCCCBr AK113930 [0,2,0,0,0,0|0,0,2]=4 178 B9R0.46 CCC(C)CCCCCO AK-82137 [0,2,0,0,0,0|0,0,2]=4 179 B9R0.46 CCCCCCC(C)CO AK158822 [0,2,0,0,0,0|0,0,2]=4 180 B9R0.46 O=C(OC)CCCCCBr AK113951 [0,2,0,0,0,0|1,0,0]=3 181 B9R0.46 O=C(OC)CCCCCN AK-47079 [0,2,0,0,0,0|1,0,0]=3 182 B9R0.1 COC(=O)CCCC(Cl)=O AK-78695 [0,2,0,0,0,0|1,0,1]=4 183 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [0,2,0,0,0,0|1,0,1]=4 184 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,2,0,0,0,0|1,0,0]=3 185 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,2,0,0,0,0|0,0,0]=2 186 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,2,0,0,0,0|0,0,0]=2 187 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,2,0,0,0,0|0,0,0]=2 188 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,2,0,0,0,0|1,0,0]=3 189 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,2,0,0,0,0|1,0,0]=3 190 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,2,0,0,0,0|1,0,0]=3 192 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,2,0,0,0,0|1,0,0]=3 193 B9R0.38 CCCCCCS(=O)([O-])=O AK-86034 [0,2,0,0,0,0|1,0,0]=3 194 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [0,2,0,0,0,0|0,0,1]=3 195 B7R1.1 BrCC1CCCC1 AK-88361 [1,0,0,1,0,0|1,0,0]=3 196 B7R1.1 BrCC1CCOC1 AK-51697 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.1 C(C1CCCC1)O AK-46653 [1,0,0,1,0,0|0,0,1]=3 198 B7R1.1 CC[C@H]1NCCC1 AK131266 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.1 NCC1CCCC1 AK-27938 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.1 NCC1CCOC1 AK-33831 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.1 NCC1COCC1 AK-50648 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.1 NCC1NCCC1 AK-26146 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.1 NC[C@@H]1NCCC1 AK110323 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.1 NC[C@H]1NCCC1 AK-48661 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.1 NNC1CCCC1 AK-44319 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.1 OCC1CCCN1 AK-40306 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.1 OCC1CNCC1 AK-26048 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.1 OCC1CNCC1 AK-38963 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.1 OCC1CNCC1 AK105115 [1,0,0,1,0,0|1,0,1]=4 210 B7R1.1 OCC1COCC1 AK-51698 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.1 OCC1OCCC1 AK106959 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.1 OC[C@H]1CNCC1 AK-32836 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.1 OC[C@H]1CNCC1 AK108367 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.1 OC[C@H]1COCC1 AK129134 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.1 OC[C@H]1NCCC1 AK-46693 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.3 BrC1CCCCC1 AK-77686 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.3 BrC1CCNCC1 AK-47522 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.3 BrC1CCOCC1 AK-29943 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.3 C1C(CCOC1)N AK-25779 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.3 C1CC(CCO1)O AK-25581 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.3 CC1CNCCO1 AK100672 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.3 CC1NCCOC1 AK-35119 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.3 C[C@@H]1CNCCC1 AK141528 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 C[C@H]1CNCCC1 AK-93998 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.3 C[C@H]1CNCCO1 AK-42092 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.3 C[C@H]1NCCNC1 AK-32235 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.3 C[C@H]1NCCOC1 AK-39747 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.3 C[C@H]1NCCOC1 AK-50489 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.3 ClC1CCNCC1 AK-26089 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.3 IC1CCOCC1 AK-29944 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.3 N1[C@H](CNCC1)C AK-46798 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.3 NC1CCSCC1 AK-77885 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.3 NC1CNCCC1 AK-33202 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.3 NN1CCCCC1 AK109255 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.3 N[C@@H]1COCCC1 AK-77753 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.3 N[C@H]1CCCNC1 AK-34730 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.3 N[C@H]1CNCCC1 AK-33065 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.3 N[C@H]1CNCCC1 AK-34731 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.3 N[C@H]1COCCC1 AK-77571 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.3 O1CCCC(C1)O AK-32117 [1,0,0,1,0,0|1,0,1]=4 248 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,1,0,0|1,0,0]=3 252 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,1,0,0|1,0,0]=3 254 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.3 OC1CCNCC1 AK-46522 [1,0,0,1,0,0|1,0,1]=4 261 B7R1.3 OC1CCNCC1 AK-80456 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.3 O[C@H]1CCCNC1 AK-29273 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.4 CC1CSCC1=O AK104742 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.4 NN1CCCC1=O AK-78653 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.4 O=C1C(N)CCS1 AK117085 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.4 O=C1NCCN1C AK-78526 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,0,0,1,0,0|2,0,0]=4 279 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.4 OC1C(N)CCC1 AK-50447 [1,0,0,1,0,0|1,0,1]=4 282 B7R1.4 OC1CCNC1=O AK-39164 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [1,0,0,1,0,0|1,0,1]=4 284 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [1,0,0,1,0,0|1,0,1]=4 285 B7R1.4 S=C1N(C)CCC1 AK308101 [1,0,0,1,0,0|1,1,0]=4 286 B7R1.6 OCCN1CCC1 AK116274 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.24 C1CNCCNC1 AK-29321 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.24 O1CCNCCC1 AK-81388 [1,0,0,1,0,0|1,0,1]=4 289 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.8 BrCCN1CCCCC1 AK110576 [0,1,0,1,0,0|1,0,1]=4 294 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.8 CCCC1CCNCC1 AK135014 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.8 COCC1CCNCC1 AK-39216 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.8 COCC1NCCCC1 AK153936 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.8 N#CCC1CCCCC1 AK144830 [0,1,0,1,0,0|1,0,1]=4 300 B9R1.8 N#CCC1CCOCC1 AK-50173 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.8 NCCC1CCCCC1 AK-25118 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.8 NCCC1CCOCC1 AK-84660 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.8 NCCN1CCCCC1 AK-45168 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.8 NCCN1CCCCC1 AK-93384 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [0,1,0,1,0,0|0,0,2]=4 306 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [0,1,0,1,0,0|0,0,2]=4 307 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [0,1,0,1,0,0|0,0,2]=4 308 B9R1.12 BrCCCN1CCCC1 AK140161 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.12 ClCCCN1CCCC1 AK-35019 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.12 N#C\C=C\C1CCCC1 AK175284 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.12 NCCCN1CCCC1 AK-73082 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.12 OCCCN1CCCC1 AK-87069 [0,1,0,1,0,0|0,0,2]=4 313 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [0,1,0,1,0,0|0,0,2]=4 314 B9R1.15 N#CC1CNCCC1=O AK-64477 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.15 NCC1N(C)CCCC1 AK150786 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.15 O=C1C(C#N)CNCC1 AK-33897 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.33 CN1C(CCN)CCC1 AK-32183 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.33 O=C1NCCN1CCN AK164166 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.33 OCCC1N(C)CCC1 AK-32182 [0,1,0,1,0,0|0,0,2]=4 320 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,1,0,1,0,0|0,0,1]=3 321 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,1,0,1,0,0|0,0,0]=2 327 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,1,0,1,0,0|0,0,0]=2 328 B9R1.50 OC1CC\C=C/CCC1 AK-79871 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.69 O=C1C(C)CN(C)CC1 AK-31130 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.69 O=C1N(C)C[C@@H](C)NC1 AK188522 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.69 O=C1N(C)C[C@H](C)NC1 AK188521 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.5 CN1CCNCCC1=O AK-63341 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.5 CN1CCNCCC1=O AK-77181 [0,1,0,1,0,0|1,0,0]=3 337 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,1,0,1,0,0|0,0,0]=2 338 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,1,0,0|1,0,0]=3 340 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,1,0,0|1,0,0]=3 342 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,1,0,0|1,0,0]=3 343 B9R1.14 CCN1[C@H](CN)CCC1 AK-34220 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.89 NCC1CCCCCC1 AK110620 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.1 COC1CCC(N)CC1 AK-77237 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.1 N#CC1CCC(N)CC1 AK164809 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,1,0,1,0,0|0,0,1]=3 348 B9R1.1 OC1CCC(CC1)C#N AK-37993 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.1 OC1CCC(NC)CC1 AK141349 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.1 OC1CCC(OC)CC1 AK-93462 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.1 O[C@H]1CC[C@@H](NC)CC1 AK145421 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK-89578 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK543100 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.3 O=C1CCCC(N1C)=O AK163887 [0,1,0,1,0,0|1,0,1]=4 355 B9R1.3 O=C1N(C)CCCN1C AK-36216 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.11 OC[C@@H](N)C1CCCC1 AK677837 [0,1,0,1,0,0|0,0,2]=4 358 B9R1.118 OCC1(F)CCCCC1 AK-32002 [0,1,0,1,0,0|0,0,2]=4 359 B9R1.132 O=C1N(C)CCC1CO AK130651 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.6 CC(=O)N1CCOCC1 AK-59803 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,1,0,1,0,0|0,0,0]=2 362 B9R1.6 CC(C1CCNCC1)=O AK-76366 [0,1,0,1,0,0|1,0,0]=3 363 B9R1.6 CC(C1CCOCC1)=O AK-58675 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,1,0,1,0,0|0,0,0]=2 369 B9R1.6 O=C(C1CCNCC1)N AK-25908 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.6 O=C(C1CCNCC1)N AK-65946 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.6 O=C(C1CCNCC1)O AK-47605 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.6 O=C(C1CCOCC1)N AK-90382 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.6 O=C(C1CNCCC1)N AK-44355 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.6 O=C(C1CNCCC1)O AK-35333 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.6 O=C(C1CNCCN1)O AK-44180 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.6 O=C(C1COCCC1)O AK-65298 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.6 O=C(C1NCCCC1)N AK-50709 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.6 O=C(C1NCCNC1)O AK-34591 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.6 O=C(C1NCCOC1)O AK-53947 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.6 O=C(C1SCCCN1)O AK164034 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.6 O=C(N1CCNCC1)C AK-44435 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.6 O=C(N1CCNCC1)N AK187919 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [0,1,0,1,0,0|0,0,2]=4 386 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [0,1,0,1,0,0|0,0,2]=4 392 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.6 O=C([C@H]1CNCCN1)N AK174403 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,1,0,1,0,0|1,0,0]=3 396 B9R1.6 O=C([C@H]1NCCNC1)N AK174402 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.6 OB(O)C1CCCCC1 AK-44451 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,1,0,1,0,0|0,0,2]=4 402 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [0,1,0,1,0,0|0,0,2]=4 403 B9R1.13 CC(N[C@@H]1CNCC1)=O AK-87500 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.13 CC(N[C@H]1CNCC1)=O AK-57730 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.13 O1CCC(C1)CC(=O)O AK-37736 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [0,1,0,1,0,0|0,0,0]=2 407 B9R1.13 O=C(O)C[C@@H]1NCCC1 AK-80502 [0,1,0,1,0,0|1,0,0]=3 408 B9R1.13 O=C(O)C[C@H]1NCCC1 AK-80500 [0,1,0,1,0,0|1,0,0]=3 409 B9R1.13 OC(=O)CN1CCCC1 AK109942 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.13 [C@@H]1(CC(O)=O)CCCN1 AK-68480 [0,1,0,1,0,0|1,0,0]=3 411 B9R1.40 O=C1C(C)(C)CNCC1 AK154223 [0,1,0,1,0,0|1,0,0]=3 412 B9R1.40 O=C1NCCNC1(C)C AK-45892 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [0,1,0,1,0,0|1,0,0]=3 416 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [0,1,0,1,0,0|2,0,0]=4 420 B9R2.39 N[C@@H]1[C@@H]2C[C@@H](CC2)C1 AK544021 [0,0,0,2,0,0|1,0,1]=4 421 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,2,0,0|2,0,0]=4 422 B9R2.39 OC1C2CC(C=C2)C1 AK-41325 [0,0,0,2,0,0|2,0,0]=4 423 B9R2.2 C1(C2CC2)CNCC1 AK326071 [0,0,0,2,0,0|2,0,0]=4 424 B9R2.3 C12CNCC1CCC2 AK-25125 [0,0,0,2,0,0|1,0,1]=4 425 B9R2.7 O=C1C2CC=CC2C1 AK-28134 [0,0,0,2,0,0|0,0,2]=4