0 B10R1.15 CC[C@@H](C1CCCCC1)N AK544253 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 COC(=O)C1=CCCCC1 AK-89355 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.15 COC(=O)C1=CCOCC1 AK-32760 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.15 COC(=O)C1CCCCN1 AK-75909 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 COC(=O)C1CCCCO1 AK-82436 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.15 COC(=O)C1COCCN1 AK-95491 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 COC(=O)[C@H]1CCCCN1 AK-44845 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.15 COC(C1CCCNC1)=O AK-27698 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 ClCC(N1CCCCC1)=O AK115226 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 N1CCC(CC1)C(=O)OC AK-50719 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 N1CCCC[C@@H]1C(=O)OC AK-29738 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.15 NCC(N1CCCCC1)=O AK389192 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 N[C@@H](C1CCCCC1)CO AK103603 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 O=C(C1CCNCC1)NC AK130215 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 O=C(C1CCNCC1)OC AK116971 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.15 O=C(C1CCOCC1)OC AK-41265 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.15 O=C(C1CNCCC1)OC AK-86479 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.15 O=C(C1CNCCO1)OC AK-50377 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 O=C(C1CNCCO1)OC AK-64898 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 O=C(C1NCCCC1)OC AK-41701 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 O=C(C1NCCNC1)OC AK-44504 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 O=C(N1CCNCC1)OC AK-80030 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 O=C(N1CCOCC1)CCl AK-51538 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.15 O=C(N1CCOCC1)CO AK340603 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.15 O=C([C@@H]1CNCCC1)OC AK-65136 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.15 O=C([C@@H]1CNCCO1)OC AK143336 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 O=C([C@H]1CNCCC1)NC AK203541 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 O=C([C@H]1NCCOC1)OC AK-64358 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 O=C([C@H]1NCCOC1)OC AK-94006 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 O=[C@]([C@H]1NCCCC1)OC AK-33856 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.6 CC(=O)N1CCOCC1 AK-59803 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 CC(C1CCCCC1)=O AK110444 [1,0,0,0,0,0|0,0,0]=1 32 B9R1.6 CC(C1CCNCC1)=O AK-76366 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 CC(C1CCOCC1)=O AK-58675 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.6 CC(O)C1CCOCC1 AK600722 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.6 CN(C)C1CCNCC1 AK146317 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 CN(C1CCNCC1)C AK-35307 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.6 O=C(C1CCCCC1)O AK-73017 [1,0,0,0,0,0|0,0,0]=1 43 B9R1.6 O=C(C1CCNCC1)N AK-25908 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 O=C(C1CCNCC1)N AK-65946 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 O=C(C1CCNCC1)O AK-47605 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 O=C(C1CCOCC1)N AK-90382 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 O=C(C1CNCCC1)N AK-44355 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 O=C(C1CNCCC1)O AK-35333 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 O=C(C1CNCCN1)O AK-44180 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 O=C(C1COCCC1)O AK-65298 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.6 O=C(C1NCCCC1)N AK-50709 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 O=C(C1NCCCC1)O AK-35539 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.6 O=C(C1NCCCC1)O AK126108 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.6 O=C(C1NCCNC1)O AK-34591 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 O=C(C1NCCOC1)O AK-53947 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 O=C(C1SCCCN1)O AK164034 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 O=C(N1CCNCC1)C AK-44435 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 O=C(N1CCNCC1)N AK187919 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [1,0,0,0,0,0|0,0,2]=3 60 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [1,0,0,0,0,0|0,0,2]=3 66 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.6 O=C([C@H]1CNCCN1)N AK174403 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.6 O=C([C@H]1NCCNC1)N AK174402 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.6 OB(O)C1CCCCC1 AK-44451 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [1,0,0,0,0,0|0,0,2]=3 76 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [1,0,0,0,0,0|0,0,2]=3 77 B9R1.8 CCCC1CCNCC1 AK135014 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 CCNC1CCOCC1 AK-49563 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 COCC1CCNCC1 AK-39216 [1,0,0,0,0,0|1,0,1]=3 81 B9R1.8 COCC1CNCCO1 AK119603 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 COCC1NCCCC1 AK153936 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.8 COCC1NCCOC1 AK102282 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 COC[C@@H]1CNCCO1 AK108372 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.8 COC[C@@H]1NCCOC1 AK102252 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 COC[C@H]1CNCCO1 AK108397 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.8 N#CCC1CCCCC1 AK144830 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 NCCC1CCCCC1 AK-25118 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.16 C(OC(C1CCCNC1)=O)C AK-50734 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.16 C(OC(C1CCNCC1)=O)C AK-50644 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.16 CCOC(=O)N1CCCCC1 AK-76918 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.16 O=C(C1CCNCC1)OCC AK114998 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.16 O=C(C1CCOCC1)OCC AK-55948 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.16 O=C(C1CNCCC1)OCC AK-45217 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.16 O=C(C1CNCCO1)OCC AK-32010 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 O=C(C1NCCCC1)OCC AK117282 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.16 O=C(C1NCCNC1)OCC AK-82337 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.16 O=C(CC#N)C1CCCCC1 AK102942 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.16 O=C([C@@H]1CNCCC1)OCC AK-50723 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-41584 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-45083 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-50703 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.16 O=C([C@H]1NCCCC1)OCC AK-97255 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.22 O=C(C1CCC(CC1)=O)OC AK-82287 [0,1,0,0,0,0|0,0,1]=2 105 B11R1.22 O=C(C1CCN(C)CC1)OC AK-63407 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.22 O=C(C1CNC(C)CC1)OC AK103663 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.22 O=C([C@@H]1CNC(CN1)=O)OC AK110580 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.22 O=C([C@H]1CC[C@@H](N)CC1)OC AK156429 [0,1,0,0,0,0|0,0,0]=1 109 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK-41933 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK515712 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.22 O=C([C@H]1CC[C@H](O)CC1)OC AK161903 [0,1,0,0,0,0|0,0,0]=1 112 B11R1.23 COC(=O)C1CCCC(=O)C1 AK-57628 [0,1,0,0,0,0|0,0,1]=2 113 B11R1.23 O=C(C1=CCCN(C)C1)OC AK-42864 [0,1,0,0,0,0|1,0,2]=4 114 B11R1.23 O=C(C1CC(NCC1)=O)OC AK-51686 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.23 O=C(C1CN(C)CCC1)OC AK-28582 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.23 O=C1C=C(C(OC)=O)CCC1 AK164521 [0,1,0,0,0,0|0,0,3]=4 117 B11R1.36 O=C(C1CNCCC1)N(C)C AK-65538 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.222 COC(=O)C1C(=O)CCNC1 AK-47419 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.222 COC(=O)C1COCCC1=O AK-65015 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.222 O=C(C1CNCCC1O)OC AK554356 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.222 O=C(C1CSCCC1=O)OC AK115673 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.222 O=C(C1N(C)CCNC1)OC AK-64634 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.878 COC(=O)C1(N)CCCCC1 AK-77095 [0,1,0,0,0,0|0,0,0]=1 124 B11R1.878 O=C(C1(O)CCNCC1)OC AK102355 [0,1,0,0,0,0|1,0,0]=2 125 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [0,0,1,0,0,0|2,0,0]=3 126 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [0,0,1,0,0,0|2,0,0]=3 127 B9R0.46 O=C(OC)CCCCCBr AK113951 [0,0,1,0,0,0|1,0,0]=2 128 B9R0.46 O=C(OC)CCCCCN AK-47079 [0,0,1,0,0,0|1,0,0]=2 129 B11R2.1 O=C1OC[C@@H]2CNCCN21 AK124406 [0,0,0,1,0,0|2,0,0]=3 130 B11R2.12 O=C1NCC12CCNCC2 AK151328 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.11 COC(=O)[C@H]1CCCN1 AK-81261 [0,0,0,0,1,0|1,0,0]=2 132 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,0,0,0,1,0|0,0,2]=3 133 B9R1.11 O=C(C1CNCC1)OC AK-72873 [0,0,0,0,1,0|1,0,0]=2 134 B9R1.11 O=C(C1COCC1)NN AK114109 [0,0,0,0,1,0|3,0,0]=4 135 B9R1.11 O=C(C1COCC1)OC AK137950 [0,0,0,0,1,0|1,0,0]=2 136 B9R1.11 O=C(C1NCCC1)OC AK-81380 [0,0,0,0,1,0|1,0,0]=2 137 B9R1.11 O=C(OC)[C@H]1NCCC1 AK-46611 [0,0,0,0,1,0|1,0,0]=2 138 B9R1.11 O=C([C@@H]1CNCC1)OC AK-65093 [0,0,0,0,1,0|1,0,0]=2 139 B9R1.11 O=C([C@H]1CNCC1)OC AK-77335 [0,0,0,0,1,0|1,0,0]=2 140 B11R1.40 COC(=O)CC1CCOCC1 AK-76203 [0,0,0,0,0,1|1,0,0]=2 141 B11R1.40 O=C(OC)CC1CCNCC1 AK-44290 [0,0,0,0,0,1|1,0,0]=2 142 B11R1.40 O=C(OC)C[C@@H]1NCCOC1 AK165141 [0,0,0,0,0,1|2,0,0]=3 143 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [1,0,1,0,0,0|2,0,0]=4 144 B8R0.6 C=CC(CCCCC)=O AK164478 [1,0,1,0,0,0|1,0,1]=4 145 B8R0.6 O=C(OC)CCCCBr AK-88540 [1,0,1,0,0,0|1,0,0]=3 146 B8R0.6 O=C(OC)CCCCN AK112995 [1,0,1,0,0,0|1,0,0]=3 147 B8R0.6 O=C(OC)CCCOC AK151485 [1,0,1,0,0,0|1,0,0]=3 148 B8R0.6 O=C(OC)COCCCl AK-44958 [1,0,1,0,0,0|2,0,0]=4 149 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [1,0,1,0,0,0|1,0,0]=3 150 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [1,0,1,0,0,0|2,0,0]=4 151 B8R0.8 NC(CCSC)C(O)=O AK-81252 [1,0,1,0,0,0|2,0,0]=4 152 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [1,0,1,0,0,0|1,0,0]=3 153 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [1,0,1,0,0,0|2,0,0]=4 154 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [1,0,1,0,0,0|2,0,0]=4 155 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [1,0,1,0,0,0|2,0,0]=4 156 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [1,0,1,0,0,0|2,0,0]=4 157 B8R0.20 O=C(OC)C(CN)CN AK126755 [1,0,1,0,0,0|2,0,0]=4 158 B8R0.20 O=C(OC)C(OC)OC AK-47134 [1,0,1,0,0,0|2,0,0]=4 159 B8R0.7 C#CCCCCC(O)=O AK-40047 [1,0,1,0,0,0|0,0,2]=4 160 B8R0.7 CC(O)CCCCCC AK113715 [1,0,1,0,0,0|0,0,2]=4 161 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,0,1,0,0,0|0,0,2]=4 162 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,0,1,0,0,0|1,0,0]=3 163 B8R0.7 O=C(O)CCCCCN AK144762 [1,0,1,0,0,0|1,0,0]=3 164 B8R0.7 O=C(O)CCCCCO AK-41893 [1,0,1,0,0,0|1,0,0]=3 165 B8R0.7 O=C(O)COCCOC AK-33517 [1,0,1,0,0,0|2,0,0]=4 166 B8R0.7 O=C([O-])CCCCCO AK142914 [1,0,1,0,0,0|1,0,1]=4 167 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,0,1,0,0,0|1,0,0]=3 168 B8R1.2 BrCC1CCCCC1 AK-34379 [2,0,0,0,0,0|1,0,1]=4 169 B8R1.2 C(C1CCOCC1)O AK-25438 [2,0,0,0,0,0|1,0,1]=4 170 B8R1.2 C1C(OCCC1)ON AK-26246 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [2,0,0,0,0,0|1,0,1]=4 172 B8R1.2 CNC1CCCNC1 AK-39351 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 CNC1CCNCC1 AK-81357 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 CNC1CCOCC1 AK-29001 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 COC1CCNCC1 AK-86244 [2,0,0,0,0,0|1,0,0]=3 176 B8R1.2 ICC1CCCCC1 AK126313 [2,0,0,0,0,0|1,0,1]=4 177 B8R1.2 N#CC1CCCCC1 AK117259 [2,0,0,0,0,0|1,0,1]=4 178 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [2,0,0,0,0,0|1,0,1]=4 179 B8R1.2 NNC1CCCCC1 AK-51695 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 O=CN1CCOCC1 AK-47431 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 OCC1CCCCC1 AK-47687 [2,0,0,0,0,0|0,0,1]=3 182 B8R1.2 OCC1CNCCC1 AK-26981 [2,0,0,0,0,0|1,0,1]=4 183 B8R1.2 OCC1NCCCC1 AK-47618 [2,0,0,0,0,0|1,0,1]=4 184 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [2,0,0,0,0,0|1,0,1]=4 185 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [2,0,0,0,0,0|1,0,1]=4 186 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [2,0,0,0,0,0|1,0,1]=4 187 B8R1.2 ONC1CCCCC1 AK113259 [2,0,0,0,0,0|1,0,0]=3 188 B8R1.2 ONC1CCCCC1 AK118974 [2,0,0,0,0,0|1,0,0]=3 189 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,1,1,0,0,0|1,0,1]=4 190 B10R0.83 O=C(OC)[C@@H](N)CCCCN AK-81274 [0,1,1,0,0,0|1,0,0]=3 191 B10R0.83 O=C(OC)[C@H](N)CCCCN AK101735 [0,1,1,0,0,0|1,0,0]=3 192 B10R0.30 CC(C)[C@H](NCC)C(OC)=O AK101238 [0,1,1,0,0,0|1,0,0]=3 193 B10R0.51 CC[C@H](C)[C@H](NC)C(OC)=O AK-89021 [0,1,1,0,0,0|1,0,0]=3 194 B10R0.54 CC[C@@H](NC(C)C)C(OC)=O AK545576 [0,1,1,0,0,0|1,0,0]=3 195 B10R0.1 CCOC(=O)CCCCCBr AK111109 [0,1,1,0,0,0|1,0,0]=3 196 B10R0.1 O=C(OCC)CCCCCN AK145590 [0,1,1,0,0,0|1,0,0]=3 197 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [0,1,1,0,0,0|0,0,1]=3 198 B10R0.18 O=C(OC)CC(CCOC)=O AK-78860 [0,1,1,0,0,0|1,0,1]=4 199 B10R0.55 C(C(OC)=O)CCCC(O)=O AK-46610 [0,1,1,0,0,0|1,0,1]=4 200 B10R0.55 COC(=O)CCCCC(C)=O AK102293 [0,1,1,0,0,0|0,0,1]=3 201 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,1,1,0,0,0|2,0,0]=4 202 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,1,1,0,0,0|2,0,0]=4 203 B10R0.74 COC(CCCCCCBr)=O AK-29360 [0,1,1,0,0,0|0,0,0]=2 204 B10R0.74 O=C(OC)CCCCCCN AK-61182 [0,1,1,0,0,0|0,0,0]=2 205 B10R1.13 CC(=O)N1CCC(=O)CC1 AK-34678 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.13 CC(N1CCC(N)CC1)=O AK109930 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [1,1,0,0,0,0|0,0,2]=4 208 B10R1.13 CN1CCC(CC1)C(N)=O AK101095 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.13 CN1CCC(CC1)C(O)=O AK-48466 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.13 CN1CCN(C(C)=O)CC1 AK-26172 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.13 C[C@H]1CC[C@@H](CC1)C(O)=O AK-45247 [1,1,0,0,0,0|0,0,0]=2 212 B10R1.13 NC(=O)C1CCC(=O)CC1 AK-89999 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.13 NC1CCC(N(C)C)CC1 AK125041 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.13 N[C@H]1CC[C@@H](CC1)C(O)=O AK-29230 [1,1,0,0,0,0|0,0,0]=2 215 B10R1.13 N[C@H]1CC[C@H](CC1)C(O)=O AK-41665 [1,1,0,0,0,0|0,0,0]=2 216 B10R1.13 N[C@H]1CC[C@H](N(C)C)CC1 AK151296 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.13 O=C(C1CCC(C)CC1)O AK164489 [1,1,0,0,0,0|0,0,0]=2 218 B10R1.13 O=C(C1CCC(CC1)=O)O AK107691 [1,1,0,0,0,0|0,0,1]=3 219 B10R1.13 O=C(C1CCN(C)CC1)O AK-47579 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.13 O=C([C@H]1CC[C@@H](O)CC1)O AK-64579 [1,1,0,0,0,0|0,0,0]=2 221 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O AK-40159 [1,1,0,0,0,0|0,0,0]=2 222 B10R1.13 O=C([C@H]1CC[C@H](O)CC1)O AK116045 [1,1,0,0,0,0|0,0,0]=2 223 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172058 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172374 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.13 OC1CCC(CC1)C(O)=O AK-64210 [1,1,0,0,0,0|0,0,0]=2 226 B10R1.13 OC1CCC(N(C)C)CC1 AK-88443 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.28 CS(=O)(=O)C1CCNCC1 AK-51140 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.28 O=S(C1CCCCC1)(N)=O AK198665 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.61 N[C@@H]1[C@@H](N(C)C)CCCC1 AK115708 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.61 N[C@H]1[C@H](N(C)C)CCCC1 AK112752 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.61 O=C([C@H]1NCCO[C@@H]1C)O AK157073 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [1,1,0,0,0,0|0,0,0]=2 238 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [1,1,0,0,0,0|0,0,0]=2 241 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [1,1,0,0,0,0|0,0,0]=2 244 B10R1.113 O=C([C@@H]1NCC[C@@H](O)C1)O AK552057 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [1,1,0,0,0,0|0,0,0]=2 246 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [1,1,0,0,0,0|0,0,1]=3 248 B10R1.363 CC1(CCOCC1)C(O)=O AK-64987 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.363 O=C(C1(C)CCNCC1)O AK-83641 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.363 O=C(C1(N)CCOCC1)O AK-43291 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.18 CC(N)CC1CCCCC1 AK-51120 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.11 CCOC(=O)C1CCNC1 AK-89599 [0,1,0,0,1,0|1,0,0]=3 253 B10R1.11 N1CCC(C1)C(=O)OCC AK-65324 [0,1,0,0,1,0|1,0,0]=3 254 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [0,1,0,0,1,0|1,0,0]=3 255 B10R1.11 O=C([C@H]1NCCC1)NCC AK170245 [0,1,0,0,1,0|2,0,0]=4 256 B10R1.11 O=C([C@H]1NCCC1)OCC AK133273 [0,1,0,0,1,0|1,0,0]=3 257 B10R1.11 O=C([C@H]1NCSC1)OCC AK-81296 [0,1,0,0,1,0|2,0,0]=4 258 B10R1.14 COC(C1NC(=O)CC1)=O AK-46671 [0,1,0,0,1,0|1,0,1]=4 259 B10R1.14 O=C(C1CC(CC1)=O)OC AK-39983 [0,1,0,0,1,0|0,0,1]=3 260 B10R1.14 O=C(C1CC(N)CC1)OC AK144646 [0,1,0,0,1,0|0,0,0]=2 261 B10R1.14 O=C(C1CC(NC1)=O)OC AK-27649 [0,1,0,0,1,0|1,0,1]=4 262 B10R1.14 O=C([C@@H]1C[C@@H](N)CC1)OC AK173650 [0,1,0,0,1,0|0,0,0]=2 263 B10R1.14 O=C([C@@H]1C[C@H](N)CC1)OC AK185405 [0,1,0,0,1,0|0,0,0]=2 264 B10R1.14 O=C([C@@H]1NC[C@@H](O)C1)OC AK-78648 [0,1,0,0,1,0|1,0,0]=3 265 B10R1.14 O=C([C@@H]1NC[C@H](O)C1)OC AK-51059 [0,1,0,0,1,0|1,0,0]=3 266 B10R1.14 O=C([C@H]1CCC(N1)=O)OC AK-41780 [0,1,0,0,1,0|1,0,1]=4 267 B10R1.14 O=C([C@H]1NC[C@@H](O)C1)OC AK-42167 [0,1,0,0,1,0|1,0,0]=3 268 B10R1.14 O=C([C@H]1NC[C@H](O)C1)OC AK-46722 [0,1,0,0,1,0|1,0,0]=3 269 B10R1.14 O=C1N[C@H](C(OC)=O)CC1 AK-27009 [0,1,0,0,1,0|1,0,1]=4 270 B10R1.149 COC(=O)C1CCNC1=O AK101744 [0,1,0,0,1,0|1,0,1]=4 271 B10R1.149 COC(=O)C1CCOC1=O AK-72749 [0,1,0,0,1,0|1,0,1]=4 272 B10R1.149 COC(=O)C1COCC1=O AK-67873 [0,1,0,0,1,0|1,0,1]=4 273 B10R1.149 COC(=O)C1SCCC1=O AK-79090 [0,1,0,0,1,0|1,0,1]=4 274 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C AK-38248 [0,1,0,0,1,0|1,0,0]=3 275 B10R1.149 O=C(C1C(CCC1)=O)OC AK-39183 [0,1,0,0,1,0|0,0,1]=3 276 B10R1.149 O=C([C@H]1CNC[C@@H]1C)OC AK544675 [0,1,0,0,1,0|1,0,0]=3 277 B10R1.149 O=C([C@H]1N(C)CCC1)OC AK158809 [0,1,0,0,1,0|1,0,0]=3 278 B10R1.411 O=C(C1(N)CCCC1)OC AK-44021 [0,1,0,0,1,0|0,0,0]=2 279 B10R1.411 O=C([C@@]1(C)NCCC1)OC AK164295 [0,1,0,0,1,0|1,0,0]=3 280 B12R1.32 O=C(OCC)CC1CCNCC1 AK-62757 [0,1,0,0,0,1|1,0,0]=3 281 B12R1.32 O=C(OCC)CC1CCOCC1 AK-45451 [0,1,0,0,0,1|1,0,0]=3 282 B12R1.32 O=C(OCC)CC1CNCCC1 AK-62785 [0,1,0,0,0,1|1,0,0]=3 283 B12R1.32 O=C(OCC)\C=C/1CNCCC1 AK-85647 [0,1,0,0,0,1|1,0,1]=4 284 B12R1.32 O=C(OCC)\C=C\1CNCCC1 AK101020 [0,1,0,0,0,1|1,0,1]=4 285 B12R1.34 O=C(OC)C(C1CCCCC1)=O AK155938 [0,1,0,0,0,1|0,0,0]=2 286 B12R1.34 O=C(OC)C(N)C1CCOCC1 AK163405 [0,1,0,0,0,1|1,0,0]=3 287 B12R1.34 O=C(OC)[C@@H](N)C1CCCCC1 AK-41805 [0,1,0,0,0,1|0,0,0]=2 288 B12R1.49 O=C(OC)CC1CCC(CC1)=O AK-44997 [0,1,0,0,0,1|0,0,1]=3 289 B12R1.49 O=C(OC)CC1CCN(C)CC1 AK159698 [0,1,0,0,0,1|1,0,0]=3 290 B12R1.16 C1(C(OCC)=O)CCC(=O)CC1 AK-47372 [0,2,0,0,0,0|0,0,1]=3 291 B12R1.16 CCOC(=O)C1CCC(=C)CC1 AK-70327 [0,2,0,0,0,0|0,0,1]=3 292 B12R1.16 CCOC(=O)C1CCC(N)CC1 AK-35420 [0,2,0,0,0,0|0,0,0]=2 293 B12R1.16 CCOC(=O)N1CCC(=O)CC1 AK-39199 [0,2,0,0,0,0|1,0,1]=4 294 B12R1.16 O=C(C1CCC(O)CC1)OCC AK-45280 [0,2,0,0,0,0|0,0,0]=2 295 B12R1.16 O=C(C1CCN(C)CC1)OCC AK-44320 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.16 O=C([C@H]1CC[C@@H](N)CC1)OCC AK110039 [0,2,0,0,0,0|0,0,0]=2 297 B12R1.16 O=C([C@H]1CC[C@@H](N)CC1)OCC AK144829 [0,2,0,0,0,0|0,0,0]=2 298 B12R1.16 O=C([C@H]1CC[C@H](N)CC1)OCC AK110272 [0,2,0,0,0,0|0,0,0]=2 299 B12R1.16 O=C([C@H]1CC[C@H](N)CC1)OCC AK151173 [0,2,0,0,0,0|0,0,0]=2 300 B12R1.16 O=C([C@H]1CC[C@H](O)CC1)OCC AK316366 [0,2,0,0,0,0|0,0,0]=2 301 B12R1.17 CCOC(=O)C1CC(=O)CCO1 AK109446 [0,2,0,0,0,0|1,0,1]=4 302 B12R1.17 O=C(C1CC(CCC1)=O)OCC AK-45206 [0,2,0,0,0,0|0,0,1]=3 303 B12R1.17 O=C(C1CN(C)CCC1)OCC AK-50737 [0,2,0,0,0,0|1,0,0]=3 304 B12R1.17 O=C([C@@H]1NCC[C@@H](C)C1)OCC AK-36285 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.308 C(OC(=O)C1C(=O)CCCC1)C AK-41453 [0,2,0,0,0,0|0,0,1]=3 306 B12R1.308 CCOC(=O)C1=C(N)CCCC1 AK-83411 [0,2,0,0,0,0|0,0,2]=4 307 B12R1.308 CCOC(=O)C1CCNCC1=O AK-41235 [0,2,0,0,0,0|1,0,1]=4 308 B12R1.308 CCOC(=O)C1COCCC1=O AK-68860 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.308 O=C(C1CNCCC1=O)OCC AK-47659 [0,2,0,0,0,0|1,0,1]=4 310 B12R1.308 O=C(C1N(C)CCCC1)OCC AK-75846 [0,2,0,0,0,0|1,0,0]=3 311 B12R1.308 O=C([C@H]1[C@@H](O)CCCC1)OCC AK173002 [0,2,0,0,0,0|0,0,0]=2 312 B12R1.308 O=C([C@H]1[C@H](O)CCCC1)OCC AK-81366 [0,2,0,0,0,0|0,0,0]=2 313 B12R1.308 O=C1NCCCC1C(OCC)=O AK-34903 [0,2,0,0,0,0|1,0,1]=4 314 B12R1.1595 CC1(CCNCC1)C(=O)OCC AK-31141 [0,2,0,0,0,0|1,0,0]=3 315 B12R1.1595 CC1(CCNCC1)C(=O)OCC AK-44890 [0,2,0,0,0,0|1,0,0]=3 316 B12R1.1595 CCOC(=O)C1(O)CCCCC1 AK102458 [0,2,0,0,0,0|0,0,0]=2 317 B12R1.1595 O=C(C1(C)CNCCC1)OCC AK109320 [0,2,0,0,0,0|1,0,0]=3 318 B12R1.1595 O=C(C1(F)CCNCC1)OCC AK130336 [0,2,0,0,0,0|1,0,0]=3 319 B12R1.1595 O=C(C1(N)CCCCC1)OCC AK156579 [0,2,0,0,0,0|0,0,0]=2 320 B12R1.1595 O=C([C@@]1(C)CNCCC1)OCC AK150833 [0,2,0,0,0,0|1,0,0]=3 321 B12R1.5 O=C(C1CCC(CBr)CC1)OC AK337856 [0,2,0,0,0,0|0,0,0]=2 322 B12R1.5 O=C(C1CCC(CO)CC1)OC AK127521 [0,2,0,0,0,0|0,0,0]=2 323 B12R1.5 O=C([C@H]1CC[C@H](C=O)CC1)OC AK-50935 [0,2,0,0,0,0|0,0,0]=2 324 B12R1.5 O=C([C@H]1CC[C@H](CO)CC1)OC AK-50934 [0,2,0,0,0,0|0,0,0]=2 325 B12R1.3435 O=C(C1(C)CCC(CC1)=O)OC AK132792 [0,2,0,0,0,0|0,0,1]=3 326 B10R1.422 COC(=O)C1(CN)CCC1 AK-70225 [0,0,1,1,0,0|1,0,0]=3 327 B10R1.27 O=C(OC)C[C@@H]1NCCC1 AK144146 [0,0,1,1,0,0|1,0,0]=3 328 B10R1.27 O=C(OC)C[C@H]1NCCC1 AK-86767 [0,0,1,1,0,0|1,0,0]=3 329 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [1,0,0,1,0,0|0,0,0]=2 330 B10R2.62 O=C1CN2CCC1CC2 AK-32961 [1,0,0,1,0,0|1,0,0]=3 331 B10R2.62 OC1C2CCC(CC2)C1 AK162852 [1,0,0,1,0,0|0,0,2]=4 332 B10R2.351 C12C(C1COC2)C(=O)O AK-31514 [1,0,0,1,0,0|1,0,0]=3 333 B10R2.7 C1NCC2C1CCCC2 AK-46514 [1,0,0,1,0,0|1,0,1]=4 334 B10R2.7 [C@@H]12CNC[C@@H]1CCCC2 AK-50701 [1,0,0,1,0,0|1,0,1]=4 335 B10R2.484 C1OCC12CCNCC2 AK106988 [1,0,0,1,0,0|1,0,1]=4 336 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,0,0,1,1,0|1,0,0]=3 337 B12R2.24 O=C1CCC2CCCCC2O1 AK554624 [0,0,0,1,0,1|1,0,0]=3 338 B12R2.2918 O1C2(CCC1=O)CCNCC2 AK-27969 [0,0,0,1,0,1|2,0,0]=4 339 B12R2.2918 O=C1CC2(CN1)CCCNC2 AK103687 [0,0,0,1,0,1|2,0,0]=4 340 B12R2.2918 O=C1NCC2(CCCCC2)C1 AK-86397 [0,0,0,1,0,1|1,0,0]=3 341 B12R2.2918 O=C1NCC2(CCNCC2)C1 AK-64614 [0,0,0,1,0,1|2,0,0]=4 342 B12R2.8 O=C1NCCC12CCCCC2 AK162377 [0,1,0,1,0,0|1,0,0]=3 343 B12R2.8 O=C1NCCC12CCNCC2 AK-54414 [0,1,0,1,0,0|2,0,0]=4 344 B12R2.8 O=C1NCCC12CNCCC2 AK-38780 [0,1,0,1,0,0|2,0,0]=4 345 B12R2.8 O=C1OCCC12CCNCC2 AK129484 [0,1,0,1,0,0|1,0,0]=3 346 B12R2.13 O=C1CC(C12CCCCC2)=O AK133246 [0,1,0,1,0,0|1,0,1]=4 347 B12R2.1469 O=C(C12CNCC1C2)OCC AK545458 [0,1,0,1,0,0|1,0,0]=3 348 B12R2.1479 CCOC(=O)C1C2COCC12 AK-46868 [0,1,0,1,0,0|1,0,0]=3 349 B12R2.1479 O=C(C1C2CNCC12)OCC AK136141 [0,1,0,1,0,0|1,0,0]=3 350 B12R2.2028 O=C1NC(=O)C2C1CCCC2 AK-46686 [0,1,0,1,0,0|1,0,1]=4 351 B12R2.2028 O=C1NC([C@H]2CCCC[C@@H]12)=O AK542452 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.7 CC(C1SCCN1)=O AK163728 [1,0,0,0,1,0|2,0,0]=4 353 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [1,0,0,0,1,0|1,0,1]=4 354 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [1,0,0,0,1,0|1,0,0]=3 355 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [1,0,0,0,1,0|1,0,0]=3 356 B8R1.7 O=C(C1=CCCC1)O AK-33463 [1,0,0,0,1,0|0,0,2]=4 357 B8R1.7 O=C(C1CC=CC1)O AK-36334 [1,0,0,0,1,0|0,0,2]=4 358 B8R1.7 O=C(C1CCCC1)O AK-39169 [1,0,0,0,1,0|0,0,0]=2 359 B8R1.7 O=C(C1COCC1)O AK-44786 [1,0,0,0,1,0|1,0,0]=3 360 B8R1.7 O=C(C1NCCC1)N AK-65799 [1,0,0,0,1,0|2,0,0]=4 361 B8R1.7 O=C(C1NCOC1)O AK118758 [1,0,0,0,1,0|2,0,0]=4 362 B8R1.7 O=C(C1SCCN1)O AK-50392 [1,0,0,0,1,0|2,0,0]=4 363 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [1,0,0,0,1,0|2,0,0]=4 364 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [1,0,0,0,1,0|1,0,0]=3 365 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [1,0,0,0,1,0|1,0,0]=3 366 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [1,0,0,0,1,0|1,0,0]=3 367 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [1,0,0,0,1,0|2,0,0]=4 368 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [1,0,0,0,1,0|1,0,0]=3 369 B8R1.7 OB(C1CCCC1)O AK-61891 [1,0,0,0,1,0|1,0,1]=4 370 B8R1.7 OC(=O)C1CCCN1 AK-54077 [1,0,0,0,1,0|1,0,0]=3 371 B8R1.7 OC(=O)C1CCCO1 AK-60899 [1,0,0,0,1,0|1,0,0]=3 372 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [1,0,0,0,1,0|1,0,0]=3 373 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [1,0,0,0,1,0|1,0,0]=3 374 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [1,0,0,0,1,0|2,0,0]=4 375 B8R1.8 COC[C@H]1NCCC1 AK-81364 [1,0,0,0,1,0|1,0,1]=4 376 B8R1.38 N1CC(C1)C(=O)OC AK-38972 [0,0,0,0,2,0|1,0,0]=3 377 B8R1.38 O=C(C1NCC1)OC AK-83806 [0,0,0,0,2,0|1,0,0]=3 378 B10R1.348 CC(=O)N1CCCNCC1 AK-24088 [1,0,0,0,0,1|1,0,0]=3 379 B10R1.348 O=C(C1CCCCCC1)N AK173577 [1,0,0,0,0,1|1,0,0]=3 380 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [1,0,0,0,0,1|0,0,0]=2