0 B7R0.4 CN(C)CCCC#N AK-59094 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 CC(C)NCCCl AK110294 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.4 CC(C)OCCBr AK110255 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 CN(C)CCCBr AK-35747 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.4 CN(C)CCCCl AK-25287 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 CN(C)CCCCl AK113440 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CN(CCNC)C AK-64867 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 C=CCCCCBr AK-48086 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 C\C=C\CCCO AK-46431 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 ClCCCCC=O AK110863 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.6 O=CCCCCO AK-40206 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.21 CC(C)(S)CCOC=O AK297149 [0,1,0,0,0,0|0,0,0]=1 12 B8R0.28 CC(OCOC(C)=O)=O AK112071 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.28 O=C(O)\C=C\CN(C)C AK-44120 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.28 O=C(O)\C=C\CN(C)C AK164346 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.72 CC1(C)CCNCC1 AK116331 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.72 CC1(CCOCC1)O AK-31507 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.72 NC1(C)CCOCC1 AK-31509 [0,0,0,1,0,0|2,0,1]=4 29 B5R0.1 CC(N)CCO AK-81869 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 CN(CCBr)C AK-35597 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.1 C[C@@H](N)CCC AK608015 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 C[C@@H](N)CCO AK-41725 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.1 C[C@@H](N)COC AK-72611 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.1 C[C@@H](O)CCO AK-86774 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.1 C[C@H](N)CCC AK171191 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 C[C@H](N)CCO AK-41726 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 NOCC(C)C AK-83418 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.1 O=CCN(C)C AK136086 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 O=CCN(C)C AK172998 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.2 C=CCCCO AK325629 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.2 NOCCCC AK-85835 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [1,1,0,0,0,0|0,0,2]=4 43 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [1,1,0,0,0,0|0,0,2]=4 44 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.6 CC(NNC(C)C)=O AK118752 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.6 C[S+](CCC(O)=O)C AK114711 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.6 O=C(O)CCN(C)C AK-33348 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.1 C=CCCCCCBr AK-40908 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.1 C=CCCCCNC AK142907 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.53 CC(C)CC(N)CC(O)=O AK-34862 [0,2,0,0,0,0|1,0,0]=3 51 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-44602 [0,2,0,0,0,0|1,0,0]=3 52 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-89143 [0,2,0,0,0,0|1,0,0]=3 53 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.56 CC(=O)SCC[N+](C)(C)C AK-47972 [0,2,0,0,0,0|1,1,0]=4 55 B9R0.56 C[N+](C)(C)CCOC(C)=O AK307467 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.2 FC1COC(=O)O1 AK111108 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.2 O=C1NCC(O)C1 AK-64271 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 BrC1CCOCC1 AK-29943 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.3 C1C(CCOC1)N AK-25779 [1,0,0,1,0,0|1,0,1]=4 69 B7R1.3 C1CC(CCO1)O AK-25581 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.3 C[C@@H]1CNCCC1 AK141528 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.3 C[C@H]1CNCCC1 AK-93998 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.3 IC1CCOCC1 AK-29944 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.10 N[C@H]1C[C@H](OC)C1 AK171868 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.14 CC1(C)NCCC1 AK-76555 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.4 CC1CSCC1=O AK104742 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.4 O=C1C(N)CCS1 AK117085 [1,0,0,1,0,0|1,1,0]=4 80 B7R1.4 O=C1NCCN1C AK-78526 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.4 OC1CCNC1=O AK-39164 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.38 CC1(C(OC(C1)=O)=O)C AK-46649 [0,1,0,1,0,0|0,0,1]=3 88 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.53 CC(OC1CC(C1)=O)=O AK118872 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.6 CC(C1NCCOC1)C AK102280 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.40 O=C1C(C)(C)CNCC1 AK154223 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.40 O=C1NCCNC1(C)C AK-45892 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.35 CC(N1CC(N)CC1)=O AK148501 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.35 CC(N1CC(O)CC1)=O AK-83647 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.35 CC(N1C[C@H](N)CC1)=O AK144251 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.35 O=C(C1CC(N)CC1)O AK-95492 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.35 O=C([C@H]1C[C@@H](N)CC1)O AK159207 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.35 O=C([C@H]1C[C@H](N)CC1)O AK163486 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.35 O=C1OC[C@@H](C(C)C)N1 AK-36974 [0,1,0,1,0,0|0,0,0]=2 108 B9R1.35 O=C1OC[C@H](C(C)C)N1 AK-33649 [0,1,0,1,0,0|0,0,0]=2 109 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.106 O=C1C(C)(C)C(CC1)=O AK-67640 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.10 O=C1C=CC(C)(C)CC1 AK-49233 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.133 O=C[C@H]1OC(C)(C)OC1 AK142723 [0,1,0,1,0,0|2,0,0]=4