0 B5R0.2 C(CCN)CN AK-46742 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.2 CNOCCN AK155896 [0,0,0,0,0,0|3,1,0]=4 2 B5R0.2 ClCCCCBr AK105174 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.2 ICCCCCl AK116716 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.2 ICCCCI AK112667 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.2 NCCCCBr AK-51681 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.2 NOCCCC AK-85835 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.2 OCCCCN AK-58038 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.2 OCCCNC AK112615 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.2 BrCCNC AK153488 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.2 C(Br)CCN AK-73071 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.2 ClCCNC AK123132 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.2 ICCCI AK126057 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.2 NCCCCl AK164441 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.2 NNCCC AK-76893 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.2 OCCCBr AK-77055 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CCC[C@H](N)CO AK-81386 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.1 O=C(NCC)CN AK-65785 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.1 O=C(OC)OCC AK397345 [0,1,0,0,0,0|2,1,0]=4 19 B6R0.1 O=C(OCC)CO AK-98662 [0,1,0,0,0,0|2,1,0]=4 20 B6R0.4 CC(C)NCCCl AK110294 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.4 CC(C)OCCBr AK110255 [0,1,0,0,0,0|2,1,0]=4 22 B6R0.6 BrCCCCCBr AK134932 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.6 BrCCNCCBr AK-72773 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.6 C(CCO)CCBr AK-72934 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.6 CCCNCCO AK-60790 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.6 C\C=C\CCCO AK-46431 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.6 ClCCNCCCl AK-44109 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.6 ClCCOCCO AK114565 [0,1,0,0,0,0|2,1,0]=4 29 B6R0.6 FCCCCCBr AK-48229 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.6 OCCCCNC AK112657 [0,1,0,0,0,0|3,0,0]=4 31 B6R1.1 C1CC=CCN1 AK-91689 [0,0,0,1,0,0|3,0,0]=4 32 B6R1.1 C1CCNNC1 AK-81490 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.1 C1CSCCN1 AK110355 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.1 N1CCOCC1 AK116221 [0,0,0,1,0,0|2,1,0]=4 35 B6R1.1 O1CNCCC1 AK-82623 [0,0,0,1,0,0|2,1,0]=4 36 B6R1.1 O1NCCCC1 AK156568 [0,0,0,1,0,0|1,1,0]=3 37 B6R1.1 [NH2+]1CCCCC1 AK-41004 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.1 [NH2+]1CCCCC1 AK-97257 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,1,0,0|2,1,0]=4 40 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,1,0,0|2,0,0]=3 42 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.2 FC1CNCC1 AK-38962 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.2 IC1COCC1 AK162325 [0,0,0,1,0,0|2,1,0]=4 47 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,1,0,0|2,1,0]=4 48 B6R1.2 N1CCC(O)C1 AK-27184 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.2 NC1CNCC1 AK-24781 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.2 NC1COCC1 AK-25569 [0,0,0,1,0,0|2,1,0]=4 52 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,1,0,0|2,1,0]=4 54 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,0,0,1,0,0|3,0,0]=4 56 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,1,0,0|2,1,0]=4 57 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.2 OC1CNCC1 AK-53403 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.2 OC1CNCC1 AK134933 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,0,0,1,0,0|2,1,0]=4 62 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,0,0,1,0,0|2,1,0]=4 65 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.3 NCCC1CC1 AK-88169 [0,0,0,1,0,0|3,0,0]=4 67 B6R1.3 OCCN1CC1 AK-85970 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.6 CNC1CCC1 AK157567 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.6 NCC1CCC1 AK-40089 [0,0,0,1,0,0|3,0,0]=4 70 B6R1.6 OCC1CCO1 AK-64713 [0,0,0,1,0,0|2,1,0]=4 71 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,0,0,1,0,0|3,0,0]=4 72 B3R0.1 C(N)CBr AK-41589 [2,0,0,0,0,0|2,0,0]=4 73 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,0]=3 74 B3R0.1 CONC AK-41541 [2,0,0,0,0,0|1,1,0]=4 75 B3R0.1 FCCN AK-45730 [2,0,0,0,0,0|2,0,0]=4 76 B3R0.1 NOCC AK-45000 [2,0,0,0,0,0|1,1,0]=4 77 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,1,0]=4 78 B5R0.1 CC(N)CCO AK-81869 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.1 C[C@@H](N)CCC AK608015 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.1 C[C@@H](N)CCO AK-41725 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.1 C[C@@H](N)COC AK-72611 [1,1,0,0,0,0|1,1,0]=4 82 B5R0.1 C[C@@H](O)CCO AK-86774 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.1 C[C@H](N)CCC AK171191 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.1 C[C@H](N)CCO AK-41726 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.3 CCC(CN)=O AK-38468 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.3 CCC(CO)=O AK149491 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.3 CCC(N)CO AK-57405 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.3 CC[C@@H](O)CO AK110229 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.3 CC[C@H](N)CO AK-86460 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.3 CC[C@H](O)CO AK110230 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.3 CCCCC(O)CO AK161793 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,2,0,0,0,0|1,1,0]=4 93 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,2,0,0,0,0|1,1,0]=4 94 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,2,0,0,0,0|1,1,0]=4 95 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,2,0,0,0,0|1,1,0]=4 96 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,2,0,0,0,0|1,1,0]=4 97 B7R0.7 CCOC(=O)CCBr AK-76993 [0,2,0,0,0,0|1,1,0]=4 98 B7R0.7 CCOC(=O)CCO AK-41251 [0,2,0,0,0,0|1,1,0]=4 99 B7R0.7 O=C(NCC)NCC AK116700 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.7 O=C(OCC)CCN AK-49791 [0,2,0,0,0,0|1,1,0]=4 101 B7R0.7 O=C(OCC)CNC AK-44190 [0,2,0,0,0,0|1,1,0]=4 102 B7R0.4 CC(O)CNCCO AK142435 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.1 BrCCNCCCN AK-32244 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.1 C(CCCBr)CCBr AK-48407 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.1 COCCOCCN AK-67670 [0,2,0,0,0,0|1,1,0]=4 106 B7R0.1 ICCCCCCI AK165087 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.1 NCCCCCCN AK129024 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.1 NCCCNCCO AK-50569 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.1 NCCSSCCN AK-47593 [0,2,0,0,0,0|0,0,0]=2 110 B7R0.1 NCC[Se][Se]CCN AK327611 [0,2,0,0,0,0|0,2,0]=4 111 B7R0.1 OCCCCCCBr AK110830 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.1 OCCCCCCCl AK-47999 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.1 OCCCCCCN AK-84482 [0,2,0,0,0,0|2,0,0]=4 114 B5R1.1 S1CNCC1 AK340267 [1,0,0,1,0,0|1,0,0]=3 115 B5R1.3 CNC1CC1 AK-50625 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.1 BrCC1CCCC1 AK-88361 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.1 BrCC1CCOC1 AK-51697 [0,1,0,1,0,0|1,1,0]=4 118 B7R1.1 C(C1CCCC1)O AK-46653 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.1 CNC1COCC1 AK-48592 [0,1,0,1,0,0|1,1,0]=4 121 B7R1.1 COC1CNCC1 AK-33180 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.1 CO[C@H]1CNCC1 AK-35279 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.1 CSC1=NCCS1 AK-33966 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.1 NCC1CCCC1 AK-27938 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.1 NCC1CCOC1 AK-33831 [0,1,0,1,0,0|1,1,0]=4 127 B7R1.1 NCC1COCC1 AK-50648 [0,1,0,1,0,0|1,1,0]=4 128 B7R1.1 NCC1NCCC1 AK-26146 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.1 OCC1CCCN1 AK-40306 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.1 OCC1CNCC1 AK-26048 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.1 OCC1CNCC1 AK-38963 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.1 OCC1CNCC1 AK105115 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.1 OCC1COCC1 AK-51698 [0,1,0,1,0,0|1,1,0]=4 136 B7R1.1 OCC1OCCC1 AK106959 [0,1,0,1,0,0|1,1,0]=4 137 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.1 OC[C@H]1COCC1 AK129134 [0,1,0,1,0,0|1,1,0]=4 142 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|1,1,0]=4 144 B7R1.3 BrC1CCCCC1 AK-77686 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.3 BrC1CCNCC1 AK-47522 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.3 BrC1CCOCC1 AK-29943 [0,1,0,1,0,0|1,1,0]=4 147 B7R1.3 C1C(CCOC1)N AK-25779 [0,1,0,1,0,0|1,1,0]=4 148 B7R1.3 C1CC(CCO1)O AK-25581 [0,1,0,1,0,0|1,1,0]=4 149 B7R1.3 CC1CNCCO1 AK100672 [0,1,0,1,0,0|1,1,0]=4 150 B7R1.3 CC1NCCOC1 AK-35119 [0,1,0,1,0,0|1,1,0]=4 151 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,1,0,1,0,0|1,1,0]=4 153 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,1,0,1,0,0|1,1,0]=4 154 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,1,0,1,0,0|1,1,0]=4 155 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,1,0,1,0,0|1,1,0]=4 157 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,1,0,1,0,0|1,1,0]=4 159 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,1,0,1,0,0|1,1,0]=4 160 B7R1.3 ClC1CCNCC1 AK-26089 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.3 IC1CCOCC1 AK-29944 [0,1,0,1,0,0|1,1,0]=4 162 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.3 NC1CCSCC1 AK-77885 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.3 NC1CNCCC1 AK-33202 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.3 NN1CCCCC1 AK109255 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,1,0,1,0,0|1,1,0]=4 168 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,1,0,1,0,0|1,1,0]=4 172 B7R1.3 O1CCCC(C1)O AK-32117 [0,1,0,1,0,0|1,1,0]=4 173 B7R1.3 O=C1CCCCO1 AK101117 [0,1,0,1,0,0|1,1,0]=4 174 B7R1.3 O=C1CCSCC1 AK-25499 [0,1,0,1,0,0|1,0,1]=4 175 B7R1.3 O=C1CSCCC1 AK112945 [0,1,0,1,0,0|1,0,1]=4 176 B7R1.3 OC1CCNCC1 AK-46522 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.3 OC1CCNCC1 AK-80456 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|1,0,1]=4 181 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.6 CCOC1CNC1 AK-71516 [0,1,0,1,0,0|1,1,0]=4 183 B7R1.6 CCOC1CNC1 AK-92383 [0,1,0,1,0,0|1,1,0]=4 184 B7R1.6 OCCN1CCC1 AK116274 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.14 CC1(C)NCCC1 AK-76555 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.14 CC1(C)SCCN1 AK-33914 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.14 CC1(O)CCNC1 AK-41154 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.14 CC1(O)CCNC1 AK100495 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.18 C1(CCC1)C(C)O AK-39885 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.24 C1CNCCNC1 AK-29321 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.24 O1CCNCCC1 AK-81388 [0,1,0,1,0,0|1,1,0]=4 192 B7R2.13 C12CNCC1C2 AK-38211 [0,0,0,2,0,0|2,0,0]=4