0 B7R0.3 C=CC(NCCN)=O AK142923 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 CCCCC(NN)=O AK114657 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 CCCCC(O)CO AK161793 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 COC(=O)CNC=O AK111067 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 O=C(OC)CCCBr AK-94853 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 O=C(OC)CCNC AK-85857 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 C#CCC(OC)=O AK-93397 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.1 C(C(NC)=O)C#N AK-35938 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCCC(NN)=O AK-95909 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CCC[C@H](N)CO AK-81386 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 O=C(NCC)CN AK-65785 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 O=C(NN)COC AK110451 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 O=C(OC)CCBr AK-91613 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 O=C(OC)CCN AK-46776 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 O=C(OC)CCO AK-83355 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 O=C(OC)CNC AK-58375 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 O=C(OC)OCC AK397345 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 O=C(OCC)CO AK-98662 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CC(CCCCl)=O AK-48368 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 CC(OCCBr)=O AK165045 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CCCCB(O)O AK-44016 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCCCC([O-])=O AK163205 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 CN(C)CCCBr AK-35747 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 CN(C)CCCCl AK-25287 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CN(C)CCCCl AK113440 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 CN(CCNC)C AK-64867 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 NC(OCCC)=O AK116320 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 O=C(N)NCCO AK121931 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 O=C(O)CCC#N AK-47909 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 O=C(O)CCCCl AK113749 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 O=C(O)CCCN AK-43987 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 O=C(O)CCNC AK155866 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 O=C(O)CCOC AK-88477 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 OC(=O)CCC#C AK-32594 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.4 OCNCC(=O)[O-] AK-79027 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 BrCCCCCBr AK134932 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 C(CCO)CCBr AK-72934 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CCCNCCO AK-60790 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 C\C=C\CCCO AK-46431 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.6 FCCCCCBr AK-48229 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 OCCCCNC AK112657 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.1 C#CCCC(CCO)=O AK544192 [0,1,0,0,0,0|0,0,2]=3 43 B8R0.1 CCOC(=O)CCCI AK102411 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.1 CCOC(=O)CCCN AK-47111 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.3 C=CCC(N)C(OC)=O AK164017 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [0,1,0,0,0,0|1,0,0]=2 51 B8R0.6 C=CC(CCCCC)=O AK164478 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.6 O=C(OC)CCCCBr AK-88540 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.6 O=C(OC)CCCCN AK112995 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.6 O=C(OC)CCCOC AK151485 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.6 O=C(OC)COCCCl AK-44958 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,1,0,0,0,0|0,0,0]=1 58 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.9 C=CC(OCC(O)C)=O AK110453 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.9 O=C(O)CCC(CN)=O AK-30504 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.9 O=S(CCC(OC)=O)[O-] AK115883 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.11 CCN(CC)CCCCl AK160539 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.11 OCCCN(CC)CC AK163232 [0,1,0,0,0,0|3,0,0]=4 64 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,1,0,0,0,0|0,0,1]=2 66 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.2 BrCC1CCCCC1 AK-34379 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,0,0,1,0,0|1,0,1]=3 76 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.2 ClCC1NCCCC1 AK-78057 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.2 ICC1CCCCC1 AK126313 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.2 OCC1CCCCC1 AK-47687 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.2 OCC1NCCCC1 AK-47618 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,1,0,0|1,0,0]=2 85 B8R1.3 CN1CCC(CC1)Cl AK-49095 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.3 NC1CCC(Br)CC1 AK-48715 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,0,0,1,0,0|1,0,1]=3 89 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,0,0,1,0,0|1,0,1]=3 91 B8R1.3 N[C@H]1CC[C@H](N)CC1 AK-44479 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,0,1,0,0|1,0,1]=3 93 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,0,0,1,0,0|1,0,0]=2 100 B8R1.3 OC1CCC(O)CC1 AK114734 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.3 OC1CCN(N)CC1 AK116503 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,0,0,1,0,0|1,0,2]=4 105 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.5 BrC1CCCCC1Br AK110889 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,0,0,1,0,0|1,0,2]=4 108 B8R1.5 CC1=NCCCN1C AK-78909 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.5 CC1CNCCC1O AK-34735 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.5 CC1CNCCC1O AK-77366 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.5 CC1N(C)CCNC1 AK-27680 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.5 FC1CCCCC1=O AK-79364 [0,0,0,1,0,0|1,0,0]=2 113 B8R1.5 NC1CCCCC1=O AK110393 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.5 NC1CCCNC1=O AK-32522 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,0,0,1,0,0|1,0,1]=3 118 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,0,0,1,0,0|1,0,2]=4 120 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,0,0,1,0,0|1,0,0]=2 123 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,0,0,1,0,0|1,0,1]=3 125 B8R1.5 O=C1N(C)CCNC1 AK-38983 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.5 O=C1NCCCC1N AK-58866 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.5 O=C1NCCCC1O AK-25552 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.5 OC1C(N)CCCC1 AK116055 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,0,0,1,0,0|1,0,2]=4 134 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,0,0,1,0,0|1,0,2]=4 135 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,0,0,1,0,0|1,0,2]=4 136 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,1,0,0|1,0,0]=2 138 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,1,0,0|0,0,2]=3 140 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.38 N1CC(C1)C(=O)OC AK-38972 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.38 O=C(C1NCC1)OC AK-83806 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.40 O=C(NC1CC1)CCl AK115237 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,0,0,1,0,0|1,0,1]=3 148 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,0,0,1,0,0|1,0,2]=4 149 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.52 C[N+]1(CC)CCCC1 AK-40712 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.52 NCC1(CCCC1)O AK-70915 [0,0,0,1,0,0|1,0,2]=4 152 B5R0.1 C(C(=O)O)NC AK-47434 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.1 CNCC(N)=O AK-90265 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.1 C[C@@H](N)CCC AK608015 [2,0,0,0,0,0|1,0,1]=4 155 B5R0.1 C[C@H](N)CCC AK171191 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.1 NCCC(N)=O AK-26218 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.1 NCCC(O)=O AK-41261 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.1 O=C(N)CSC AK-34209 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.2 C(CCN)CN AK-46742 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.2 C=CCCCO AK325629 [2,0,0,0,0,0|1,0,1]=4 161 B5R0.2 ClCCCCBr AK105174 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.2 ICCCCCl AK116716 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.2 ICCCCI AK112667 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.2 NCCCCBr AK-51681 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.2 NOCCCC AK-85835 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.2 OCCCCN AK-58038 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.2 OCCCNC AK112615 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.3 CCC(CN)=O AK-38468 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.3 CCC(CO)=O AK149491 [2,0,0,0,0,0|1,0,0]=3 170 B5R0.3 CNC(=O)CCl AK-82796 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.3 NCC(OC)=O AK-43994 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.3 O=C(CO)CO AK-46682 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.3 O=C(OC)CO AK-98661 [2,0,0,0,0,0|2,0,0]=4 174 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.2 OCC(OC(C)C)=O AK-48397 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.5 CC(C)C(=O)CC#N AK-34559 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.5 CC(C)C(OCCl)=O AK163215 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.5 CCOC(=O)C(C)N AK-46063 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.7 C(C)OC(CCI)=O AK-46570 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.7 CC#CC(OCC)=O AK-44989 [1,1,0,0,0,0|0,0,2]=4 186 B7R0.7 CCOC(=O)CCBr AK-76993 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.7 CCOC(=O)CCO AK-41251 [1,1,0,0,0,0|1,0,0]=3 188 B7R0.7 O=C(COC)COC AK116819 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.7 O=C(NCC)NCC AK116700 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.7 O=C(OCC)CCN AK-49791 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.7 O=C(OCC)CNC AK-44190 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.7 O=C(OCC)CNN AK-50556 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.7 O=C(OCC)OCCl AK128867 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.10 CCC(N(OC)C)=O AK130253 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.10 CCC(N)C(OC)=O AK115477 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [1,1,0,0,0,0|1,0,0]=3 198 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.10 COC(O)C(=O)OC AK-33946 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.10 O=C(OC)C(Br)CO AK142725 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.10 O=C(OC)C(N)CO AK-44174 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [1,1,0,0,0,0|2,0,0]=4 209 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.4 C#CCCCC(O)=O AK112298 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.4 C(CCC#N)C(O)=O AK-40359 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.4 CC(OCCCCl)=O AK167628 [1,1,0,0,0,0|1,0,0]=3 214 B7R0.4 COCCCC(O)=O AK-76729 [1,1,0,0,0,0|1,0,0]=3 215 B7R0.4 NC(OCCCC)=O AK116656 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.4 O=C(N)COCCCl AK113880 [1,1,0,0,0,0|2,0,0]=4 217 B7R0.4 O=C(O)CCCCBr AK113954 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.4 O=C(O)CCCCCl AK139351 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.4 O=C(O)CCCCO AK198817 [1,1,0,0,0,0|1,0,0]=3 220 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.6 CC(NNC(C)C)=O AK118752 [1,1,0,0,0,0|2,0,0]=4 222 B7R0.6 C[S+](CCC(O)=O)C AK114711 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.6 O=C(O)CCN(C)C AK-33348 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.8 CCCCS(=O)([O-])=O AK-86030 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.8 CCCC[N+](C)(C)C AK-59431 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.8 CS(=O)(=O)CCCO AK-69410 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.1 BrCCNCCCN AK-32244 [1,1,0,0,0,0|2,0,0]=4 228 B7R0.1 C(CCCBr)CCBr AK-48407 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.1 COCCOCCN AK-67670 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.1 ICCCCCCI AK165087 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.1 NCCCCCCN AK129024 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.1 NCCCNCCO AK-50569 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.1 OCCCCCCBr AK110830 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.1 OCCCCCCCl AK-47999 [1,1,0,0,0,0|1,0,1]=4 235 B7R0.1 OCCCCCCN AK-84482 [1,1,0,0,0,0|1,0,1]=4 236 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,2,0,0,0,0|0,0,0]=2 237 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [0,2,0,0,0,0|0,0,2]=4 238 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,2,0,0,0,0|0,0,0]=2 239 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,2,0,0,0,0|1,0,0]=3 240 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [0,2,0,0,0,0|0,0,2]=4 241 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,2,0,0,0,0|0,0,1]=3 242 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [0,2,0,0,0,0|1,0,0]=3 243 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [0,2,0,0,0,0|1,0,0]=3 244 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [0,2,0,0,0,0|1,0,0]=3 245 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,2,0,0,0,0|0,0,1]=3 246 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,2,0,0,0,0|1,0,0]=3 247 B9R0.34 O=C(OC)CC(COC)=O AK-76878 [0,2,0,0,0,0|1,0,1]=4 248 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [0,2,0,0,0,0|1,0,0]=3 249 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,2,0,0,0,0|0,0,1]=3 250 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [0,2,0,0,0,0|1,0,1]=4 251 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,2,0,0,0,0|0,0,0]=2 252 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,2,0,0,0,0|0,0,1]=3 253 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [0,2,0,0,0,0|1,0,1]=4 255 B9R0.23 CC(C)C[C@@H](N)C(OC)=O AK-49948 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.23 CN(CC(C(CC)=O)C)C AK-35427 [0,2,0,0,0,0|1,0,0]=3 257 B9R0.23 ClCC([C@@H](N)CC(C)C)=O AK-89151 [0,2,0,0,0,0|1,0,0]=3 258 B9R0.23 N[C@@H](CC(C)C)C(OC)=O AK-47588 [0,2,0,0,0,0|1,0,0]=3 259 B9R0.27 N[C@@H]([C@@H](C)CC)C(OC)=O AK-41506 [0,2,0,0,0,0|1,0,0]=3 260 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.1 COC(=O)CCCC(Cl)=O AK-78695 [0,2,0,0,0,0|1,0,1]=4 262 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [0,2,0,0,0,0|1,0,1]=4 263 B9R0.24 COC(=O)CCC(=O)CN AK-79197 [0,2,0,0,0,0|1,0,1]=4 264 B9R0.46 CCC(C)CCCCCO AK-82137 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.46 O=C(OC)CCCCCBr AK113951 [0,2,0,0,0,0|1,0,0]=3 266 B9R0.46 O=C(OC)CCCCCN AK-47079 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.47 C(C(=C)C)(=O)NCCCN AK-39332 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [0,2,0,0,0,0|0,0,0]=2 269 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [0,2,0,0,0,0|0,0,1]=3 270 B9R0.42 CC(C(CC(=O)OC)=O)C AK-46521 [0,2,0,0,0,0|1,0,1]=4 271 B9R0.42 CCC(OC(Cl)C(C)C)=O AK-80455 [0,2,0,0,0,0|1,0,0]=3 272 B9R0.21 O=C(OC)CCC(Cl)(Cl)Cl AK468036 [0,2,0,0,0,0|2,0,0]=4 273 B9R0.26 O=C(OC)CC(OC)OC AK116970 [0,2,0,0,0,0|2,0,0]=4 274 B7R1.1 CC[C@H]1NCCC1 AK131266 [1,0,0,1,0,0|1,0,1]=4 275 B7R1.1 COC1=NCCC1 AK-49858 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.2 O=C1NCC(O)C1 AK-64271 [1,0,0,1,0,0|2,0,0]=4 279 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.3 BrC1CCCCC1 AK-77686 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.3 NN1CCCCC1 AK109255 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.4 CC1CSCC1=O AK104742 [1,0,0,1,0,0|1,0,0]=3 302 B7R1.4 NN1CCCC1=O AK-78653 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.4 O=C1C(N)CCS1 AK117085 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.4 O=C1NCCN1C AK-78526 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.4 OC1CCNC1=O AK-39164 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.4 S=C1N(C)CCC1 AK308101 [1,0,0,1,0,0|1,1,0]=4 315 B7R1.12 O=C(C1C(F)C1)O AK-73995 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.18 C(=O)(C1OCC1)O AK-38212 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.18 C1(CCC1)C(C)O AK-39885 [1,0,0,1,0,0|0,0,2]=4 320 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.18 O=C(C1CCC1)N AK117552 [1,0,0,1,0,0|1,0,0]=3 322 B7R1.18 O=C(C1CNC1)O AK-21934 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.18 OC(=O)C1CCN1 AK-27256 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.24 C1CNCCNC1 AK-29321 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.24 O1CCNCCC1 AK-81388 [1,0,0,1,0,0|2,0,0]=4 327 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.8 BrCCN1CCCCC1 AK110576 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.8 COCC1NCCCC1 AK153936 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.8 NCCC1CCCCC1 AK-25118 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.8 NCCN1CCCCC1 AK-45168 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.8 NCCN1CCCCC1 AK-93384 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.15 N#CC1CNCCC1=O AK-64477 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.15 NCC1N(C)CCCC1 AK150786 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.15 O=C1C(C#N)CNCC1 AK-33897 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.27 O=C1NCC(C)=C1CC AK-26320 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.33 O=C1NCCN1CCN AK164166 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,1,0,1,0,0|0,0,1]=3 349 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,1,0,0|1,0,0]=3 351 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,1,0,1,0,0|0,0,2]=4 352 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,1,0,0|1,0,0]=3 353 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,1,0,1,0,0|1,0,0]=3 354 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,1,0,1,0,0|0,0,0]=2 355 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,1,0,1,0,0|0,0,0]=2 356 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,1,0,1,0,0|1,0,0]=3 358 B9R1.69 O=C1C(C)CN(C)CC1 AK-31130 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.69 O=C1N(C)C[C@@H](C)NC1 AK188522 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.69 O=C1N(C)C[C@H](C)NC1 AK188521 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.73 O=C(C1CNC1)OCC AK-51603 [0,1,0,1,0,0|1,0,0]=3 363 B9R1.3 O=C1CCCC(N1C)=O AK163887 [0,1,0,1,0,0|1,0,1]=4 364 B9R1.3 O=C1N(C)CCCN1C AK-36216 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [0,1,0,1,0,0|1,0,0]=3 366 B9R1.5 CN1CCNCCC1=O AK-63341 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.5 CN1CCNCCC1=O AK-77181 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,1,0,1,0,0|1,0,0]=3 369 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.11 COC(=O)[C@H]1CCCN1 AK-81261 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,1,0,1,0,0|1,0,1]=4 376 B9R1.11 O=C(C1CNCC1)OC AK-72873 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.11 O=C(C1COCC1)NN AK114109 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.11 O=C(C1COCC1)OC AK137950 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.11 O=C(C1NCCC1)OC AK-81380 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.11 O=C(OC)[C@H]1NCCC1 AK-46611 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.11 O=C([C@@H]1CNCC1)OC AK-65093 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.11 O=C([C@H]1CNCC1)OC AK-77335 [0,1,0,1,0,0|1,0,0]=3 383 B9R1.82 COC(=O)C1CC(=C)C1 AK-64988 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.82 COC(=O)C1CC(Cl)C1 AK-87277 [0,1,0,1,0,0|1,0,0]=3 385 B9R1.82 O=C(C1CC(C1)=O)OC AK-77056 [0,1,0,1,0,0|1,0,1]=4 386 B9R1.82 O=C(C1CC(O)C1)OC AK-64949 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC AK129632 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC AK155438 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC AK137942 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.101 O=C(OC)C(N)C1CC1 AK142881 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.101 O=C(OC)[C@@H](N)C1CC1 AK173986 [0,1,0,1,0,0|1,0,0]=3 392 B9R1.186 COC(=O)C1(N)CCC1 AK-34107 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.186 O=C(C1(C)COC1)OC AK119025 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.186 O=C(C1(N)CCC1)OC AK-77069 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.1 C(N1CCC(O)CC1)C AK-25832 [0,1,0,1,0,0|0,0,2]=4 396 B9R1.1 C(O)C1CCN(C)CC1 AK-10165 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,1,0,1,0,0|0,0,0]=2 398 B9R1.1 CNC1CCN(C)CC1 AK-22168 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.1 COC1CCC(N)CC1 AK-77237 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.1 N#CC1CCC(CC1)=O AK-46872 [0,1,0,1,0,0|0,0,1]=3 401 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,1,0,1,0,0|0,0,0]=2 402 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,1,0,1,0,0|0,0,0]=2 403 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,1,0,1,0,0|0,0,0]=2 404 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,1,0,1,0,0|0,0,1]=3 406 B9R1.1 OC1CCC(NC)CC1 AK141349 [0,1,0,1,0,0|0,0,2]=4 407 B9R1.1 OC1CCC(OC)CC1 AK-93462 [0,1,0,1,0,0|0,0,2]=4 408 B9R1.1 O[C@H]1CC[C@@H](NC)CC1 AK145421 [0,1,0,1,0,0|0,0,2]=4 409 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK-89578 [0,1,0,1,0,0|0,0,2]=4 410 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK543100 [0,1,0,1,0,0|0,0,2]=4 411 B9R1.89 NCC1CCCCCC1 AK110620 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,1,0,1,0,0|1,0,1]=4 413 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.35 O=C1CN(C(C)=O)CC1 AK159618 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.35 O=C1OC[C@@H](C(C)C)N1 AK-36974 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.35 O=C1OC[C@H](C(C)C)N1 AK-33649 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.40 O=C1C(C)(C)CNCC1 AK154223 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.40 O=C1NCCNC1(C)C AK-45892 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.106 O=C1C(C)(C)C(CC1)=O AK-67640 [0,1,0,1,0,0|1,0,1]=4 421 B9R1.10 C1(CCC(CC1)=O)(C)C AK-32039 [0,1,0,1,0,0|0,0,0]=2 422 B9R1.10 CC1(CCC(O)CC1)C AK-32038 [0,1,0,1,0,0|0,0,2]=4 423 B9R1.10 FC1(CCC(CC1)=O)F AK-39536 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.10 NC1CCS(CC1)(=O)=O AK-79011 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.10 NC1CC[S](CC1)(=O)=O AK-49076 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.10 O=C1C=CC(C)(C)CC1 AK-49233 [0,1,0,1,0,0|0,0,2]=4 427 B9R1.10 O=C1COC(C)(C)OC1 AK-36260 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.10 O=C1NCC(C)(O)CC1 AK151491 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.10 O=[S]1(CCC(CC1)=O)=O AK-33694 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.10 OC1CCS(=O)(=O)CC1 AK-77776 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.138 O=C1OCC(C)(C)C1O AK114317 [0,1,0,1,0,0|2,0,0]=4 432 B9R2.39 N[C@@H]1[C@@H]2C[C@@H](CC2)C1 AK544021 [0,0,0,2,0,0|1,0,1]=4 433 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,2,0,0|2,0,0]=4 434 B9R2.7 O=C1C2CC=CC2C1 AK-28134 [0,0,0,2,0,0|0,0,2]=4