0 B7R1.2 CN1CCC(Br)C1 AK-43626 [1,0,0,0,0,0|3,0,0]=4 1 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [1,0,0,0,0,0|2,1,0]=4 2 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [1,0,0,0,0,0|2,1,0]=4 3 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,0,0,0|2,0,1]=4 6 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [1,0,0,0,0,0|2,1,0]=4 8 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,0,0,0|1,0,1]=3 9 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.2 OC1CC(N)CC1 AK-64395 [1,0,0,0,0,0|2,1,0]=4 12 B7R1.2 OC1CN(C)CC1 AK-29830 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [1,0,0,0,0,0|2,1,0]=4 14 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [1,0,0,0,0,0|2,1,0]=4 15 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [1,0,0,0,0,0|2,1,0]=4 16 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [1,0,0,0,0,0|2,1,0]=4 17 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [1,0,0,0,0,0|2,1,0]=4 19 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [1,0,0,0,0,0|2,1,0]=4 20 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,0,0,0|1,1,1]=4 25 B7R1.4 OC1C(N)CCC1 AK-50447 [1,0,0,0,0,0|2,1,0]=4 26 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [1,0,0,0,0,0|2,1,0]=4 27 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [1,0,0,0,0,0|2,1,0]=4 28 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,1,0,0,0,0|1,1,1]=4 29 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,0,1,0,0,0|2,0,1]=4 30 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,0,1,0,0,0|2,0,1]=4 31 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,0,1,0,0,0|2,0,1]=4 32 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,0,1,0,0,0|1,1,1]=4 33 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,0,1,0,0,0|1,1,1]=4 34 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,0,1,0,0,0|2,1,0]=4 35 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,0,1,0,0,0|2,1,0]=4 36 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,0,1,0,0,0|1,1,1]=4 37 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,0,1,0,0,0|2,0,1]=4 38 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,0,1,0,0,0|1,1,1]=4 39 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,0,1,0,0,0|2,0,1]=4 40 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,0,1,0,0,0|1,1,1]=4 41 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,0,1,0,0,0|2,0,1]=4 42 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,0,1,0,0,0|2,0,1]=4 44 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,0,1,0,0,0|2,0,1]=4 45 B7R0.7 CCOC(=O)CCBr AK-76993 [0,0,1,0,0,0|2,0,1]=4 46 B7R0.7 CCOC(=O)CCO AK-41251 [0,0,1,0,0,0|1,1,1]=4 47 B7R0.7 O=C(OCC)CCN AK-49791 [0,0,1,0,0,0|2,0,1]=4 48 B9R2.39 N[C@@H]1[C@@H]2C[C@@H](CC2)C1 AK544021 [0,0,0,1,0,0|2,0,0]=3 49 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.34 CC1CC(C)CC(O)C1 AK103636 [0,0,0,0,0,1|1,1,0]=3 51 B6R0.1 CCC[C@H](N)CO AK-81386 [1,0,1,0,0,0|1,0,0]=3 52 B6R0.1 OCC(O)CNC AK-68394 [1,0,1,0,0,0|1,1,0]=4 53 B6R0.2 CC(C)NC(C)C AK101661 [1,0,1,0,0,0|1,0,0]=3 54 B6R0.2 NC(C)CC(C)C AK205814 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.4 CC(C)NCCCl AK110294 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.4 CC(C)OCCBr AK110255 [1,0,1,0,0,0|1,0,0]=3 57 B6R0.4 CCCCB(O)O AK-44016 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [1,0,1,0,0,0|2,0,0]=4 60 B6R1.2 C1C(COC1)O AK-46125 [2,0,0,0,0,0|0,1,0]=3 61 B6R1.2 CC1CNCC1 AK-46149 [2,0,0,0,0,0|2,0,0]=4 62 B6R1.2 C[C@@H]1CCCN1 AK-28779 [2,0,0,0,0,0|1,0,0]=3 63 B6R1.2 C[C@@H]1CNCC1 AK-45142 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 FC1CNCC1 AK-38962 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 F[C@@H]1CCNC1 AK-30244 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 F[C@H]1CCNC1 AK-32303 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 IC1COCC1 AK162325 [2,0,0,0,0,0|1,0,0]=3 68 B6R1.2 I[C@H]1COCC1 AK170642 [2,0,0,0,0,0|1,0,0]=3 69 B6R1.2 N1CCC(O)C1 AK-27184 [2,0,0,0,0,0|1,1,0]=4 70 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [2,0,0,0,0,0|1,0,0]=3 71 B6R1.2 NC1CNCC1 AK-24781 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 NC1COCC1 AK-25569 [2,0,0,0,0,0|1,0,0]=3 73 B6R1.2 N[C@@H]1CNCC1 AK-46300 [2,0,0,0,0,0|2,0,0]=4 74 B6R1.2 N[C@@H]1COCC1 AK-32266 [2,0,0,0,0,0|1,0,0]=3 75 B6R1.2 N[C@H]1CNCC1 AK-47751 [2,0,0,0,0,0|2,0,0]=4 76 B6R1.2 N[C@H]1CNCC1 AK-80471 [2,0,0,0,0,0|2,0,0]=4 77 B6R1.2 O1CC[C@H](C1)N AK-32944 [2,0,0,0,0,0|1,0,0]=3 78 B6R1.2 O=C1CCOC1 AK-27035 [2,0,0,0,0,0|0,1,1]=4 79 B6R1.2 OC1CNCC1 AK-53403 [2,0,0,0,0,0|1,1,0]=4 80 B6R1.2 OC1CNCC1 AK134933 [2,0,0,0,0,0|1,1,0]=4 81 B6R1.2 O[C@@H]1CCNC1 AK-32737 [2,0,0,0,0,0|1,1,0]=4 82 B6R1.2 O[C@@H]1CCOC1 AK-36591 [2,0,0,0,0,0|0,1,0]=3 83 B6R1.2 O[C@@H]1CNCC1 AK-32613 [2,0,0,0,0,0|1,1,0]=4 84 B6R1.2 O[C@@H]1CNCC1 AK-33013 [2,0,0,0,0,0|1,1,0]=4 85 B6R1.2 O[C@H]1CCOC1 AK-36590 [2,0,0,0,0,0|0,1,0]=3 86 B6R1.2 O[C@H]1CNCC1 AK-25701 [2,0,0,0,0,0|1,1,0]=4 87 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,1,1,0,0,0|0,1,1]=4 88 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,1,1,0,0,0|0,1,1]=4 89 B8R0.16 CC(O)CN(CC)CC AK324189 [0,1,1,0,0,0|2,0,0]=4 90 B8R0.22 CCOC(OCC)CN AK601229 [0,1,1,0,0,0|2,0,0]=4 91 B8R0.22 CCOC(OCC)CO AK-54608 [0,1,1,0,0,0|2,0,0]=4 92 B8R1.1 OC[C@@H]1NC[C@H](O)C1 AK516296 [1,1,0,0,0,0|1,1,0]=4 93 B8R1.1 O[C@@H]1CO[C@H](CO)C1 AK131139 [1,1,0,0,0,0|0,1,0]=3 94 B8R1.1 O[C@H]1CN[C@H](CO)C1 AK158520 [1,1,0,0,0,0|1,1,0]=4 95 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.329 OC1CC(C)(C)CC(C)C1 AK117244 [0,1,0,0,0,1|1,1,0]=4 97 B8R1.4 CC1COCC(C)N1 AK138217 [0,0,1,1,0,0|1,1,0]=4 98 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AK147246 [0,0,1,1,0,0|1,1,0]=4 100 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,0,1,1,0,0|1,0,0]=3 101 B8R1.4 NC1CCCC(C1)O AK-36106 [0,0,1,1,0,0|1,0,0]=3 102 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,0,1,1,0,0|2,0,0]=4 103 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,0,1,1,0,0|2,0,0]=4 104 B8R1.5 BrC1CCCCC1Br AK110889 [0,0,1,1,0,0|2,0,0]=4 105 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,0,1,1,0,0|1,0,0]=3 106 B8R1.5 CC1CNCCC1O AK-34735 [0,0,1,1,0,0|2,0,0]=4 107 B8R1.5 CC1CNCCC1O AK-77366 [0,0,1,1,0,0|2,0,0]=4 108 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,0,1,1,0,0|1,0,0]=3 109 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,0,1,1,0,0|2,0,0]=4 112 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,0,1,1,0,0|1,0,0]=3 113 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,0,1,1,0,0|1,0,0]=3 114 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,0,1,1,0,0|2,0,0]=4 115 B8R1.5 OC1C(N)CCCC1 AK116055 [0,0,1,1,0,0|1,0,0]=3 116 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,0,1,1,0,0|1,0,0]=3 117 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,0,1,1,0,0|2,0,0]=4 118 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,0,1,1,0,0|1,0,0]=3 119 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,0,1,1,0,0|1,0,0]=3 120 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,0,1,1,0,0|0,1,0]=3 121 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [0,0,1,1,0,0|2,0,0]=4 122 B8R1.8 C(C1OCCO1)CBr AK-46571 [0,0,1,1,0,0|2,0,0]=4 123 B8R1.8 N#CCC1CCCO1 AK-77313 [0,0,1,1,0,0|1,0,1]=4 124 B8R1.8 NCCC1CCCC1 AK-84118 [0,0,1,1,0,0|2,0,0]=4 125 B8R1.22 CC1NCCNCC1 AK-34218 [0,0,1,1,0,0|2,0,0]=4 126 B8R2.34 C12CC(CO1)NC2 AK-64970 [1,0,0,1,0,0|1,0,0]=3 127 B8R2.34 C12NC(CC1)CC2 AK-34482 [1,0,0,1,0,0|1,0,0]=3 128 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [1,0,0,1,0,0|1,0,0]=3 129 B10R2.71 OC1CC2NC(C1)CC2 AK-39797 [0,0,0,1,0,1|1,1,0]=4 130 B10R2.71 O[C@@H]1C[C@@H]2N[C@@H](CC2)C1 AK142708 [0,0,0,1,0,1|1,1,0]=4 131 B10R2.71 O[C@H]1C[C@@H]2N[C@@H](CC2)C1 AK-76556 [0,0,0,1,0,1|1,1,0]=4 132 B10R2.62 OC1C2CCC(CC2)C1 AK162852 [0,0,0,1,0,1|1,1,0]=4 133 B6R1.5 NC1CC(C)C1 AK131965 [1,0,0,0,1,0|1,0,0]=3 134 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [1,0,0,0,1,0|1,1,0]=4 135 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [1,0,0,0,1,0|1,1,0]=4 136 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [1,0,0,0,0,1|1,0,0]=3 137 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [1,0,0,0,0,1|1,0,0]=3 138 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [1,0,0,0,0,1|1,0,0]=3 139 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [1,0,0,0,0,1|2,0,0]=4 140 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [1,0,0,0,0,1|2,0,0]=4 141 B8R1.3 OC1OCC(O)OC1 AK-39061 [1,0,0,0,0,1|1,1,0]=4