0 B8R0.1 C#CCCC(CCO)=O AK544192 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCOC(=O)CCCI AK102411 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.1 CCOC(=O)CCCN AK-47111 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 COCCOCCN AK-67670 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 CCCCC(NN)=O AK114657 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.3 O=C(OC)CCCBr AK-94853 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 O=C(OC)CCNC AK-85857 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.7 C(C)OC(CCI)=O AK-46570 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.7 CC#CC(OCC)=O AK-44989 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.7 CCOC(=O)CCBr AK-76993 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.7 CCOC(=O)CCO AK-41251 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.7 O=C(COC)COC AK116819 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.7 O=C(NCC)NCC AK116700 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.7 O=C(OCC)C#CBr AK127753 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.7 O=C(OCC)CCN AK-49791 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.7 O=C(OCC)CNC AK-44190 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.7 O=C(OCC)CNN AK-50556 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.7 O=C(OCC)OCCl AK128867 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.7 O=C(OCC)\C=C\I AK117013 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.27 O=C1NCC(C)=C1CC AK-26320 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.33 O=C1NCCN1CCN AK164166 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,1,0,0|1,0,0]=2 47 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.73 O=C(C1CNC1)OCC AK-51603 [0,0,0,1,0,0|3,0,0]=4 50 B6R0.6 CCCNCCO AK-60790 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.6 ClCCOCCO AK114565 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.1 C#CCC(OC)=O AK-93397 [2,0,0,0,0,0|0,0,2]=4 53 B6R0.1 CCCC(NN)=O AK-95909 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.1 O=C(NCC)CN AK-65785 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.1 O=C(OC)CCBr AK-91613 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.1 O=C(OC)CCN AK-46776 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.1 O=C(OC)CCO AK-83355 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.1 O=C(OC)CNC AK-58375 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.1 O=C(OC)OCC AK397345 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.1 O=C(OCC)CO AK-98662 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 CC(OCCBr)=O AK165045 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|1,0,0]=3 65 B8R0.7 CC(O)CCCCCC AK113715 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [1,1,0,0,0,0|1,0,0]=3 69 B8R0.9 C=CC(OCC(O)C)=O AK110453 [1,1,0,0,0,0|0,0,2]=4 70 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [1,1,0,0,0,0|0,0,0]=2 74 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.5 O=C(OCC)CC(N)=S AK109338 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [1,1,0,0,0,0|0,0,0]=2 79 B8R0.22 O=CN(CCC)CCC AK325108 [1,1,0,0,0,0|1,0,0]=3 80 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [0,2,0,0,0,0|1,0,1]=4 81 B10R0.32 CC(C)CC(N)C(OCC)=O AK153054 [0,2,0,0,0,0|2,0,0]=4 82 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC AK-49643 [0,2,0,0,0,0|2,0,0]=4 83 B10R0.1 CCOC(=O)CCCCCBr AK111109 [0,2,0,0,0,0|2,0,0]=4 84 B10R0.1 O=C(OCC)CCCCCN AK145590 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.3 CCOC(=O)CCCC(C)=C AK103346 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.35 CCC(Br)C(C(OCC)=O)=O AK156443 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.78 O=C(C)CCC(OCCC)=O AK326213 [0,2,0,0,0,0|0,0,0]=2 89 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.1 O=C1NC(CO)CC1 AK114000 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.3 CN1CCC(=O)CC1 AK-39177 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.3 O=C1CCC(N)CC1 AK-46313 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.3 O=C1NCC(N)CC1 AK132996 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.3 O=C1NCC(O)CC1 AK-54796 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.3 OC1CCC(=O)CC1 AK-46440 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.40 O=C(NC1CC1)CCl AK115237 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.4 CN1CCOC(=O)C1 AK-33826 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.4 NC1CCNC(C1)=O AK-26117 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.4 O=C1CC(CCC1)=O AK-44688 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.4 O=C1NCCC(O)C1 AK-27778 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.4 O=C1NCCN(C)C1 AK-77137 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [1,0,0,1,0,0|1,0,1]=4 116 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.11 CCOC(=O)C1CCNC1 AK-89599 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.11 N1CCC(C1)C(=O)OCC AK-65324 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [0,1,0,1,0,0|1,0,0]=3 120 B10R1.11 O=C([C@H]1NCCC1)NCC AK170245 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.11 O=C([C@H]1NCCC1)OCC AK133273 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.138 [C@H]1(OC1)COC(=O)CCC AK-73004 [0,1,0,1,0,0|0,0,0]=2 123 B10R1.34 O=C1OC(CC)C(C)=C1O AK115095 [0,1,0,1,0,0|0,0,2]=4 124 B10R1.34 O[C@H]1[C@H]([C@@H](CO)OC1=O)O AK307810 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.140 O=C(C1CC(O)C1)OCC AK-51687 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.140 O=C([C@H]1C[C@@H](N)C1)OCC AK132734 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.401 O=C(C1(C)CCC1)OCC AK554630 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.401 O=C(C1(N)CCC1)OCC AK144798 [0,1,0,1,0,0|2,0,0]=4 129 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [0,0,0,2,0,0|1,0,0]=3 130 B10R2.62 O=C1CN2CCC1CC2 AK-32961 [0,0,0,2,0,0|2,0,0]=4 131 B10R2.71 O=C1CC2CC(CC2)C1 AK165360 [0,0,0,2,0,0|1,0,0]=3 132 B10R2.71 O=C1CC2NC(CC2)C1 AK-44611 [0,0,0,2,0,0|2,0,0]=4 133 B10R2.534 O=C1CCCC2(N1)CC2 AK205259 [0,0,0,2,0,0|1,0,0]=3 134 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,0,0,2,0,0|1,0,0]=3 135 B10R2.190 O=C1NCCC12CCC2 AK203987 [0,0,0,2,0,0|2,0,0]=4