0 B7R0.12 CCN(CC)CCCl 23589 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.12 CCN(CC)CCN 27422 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 CCC(C)CCO 35939 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.1 COC(C)CCO 35942 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.1 C[C@H](CO)CCO 30370 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.1 OCC[C@@H](O)CO 29018 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.9 CCN(CC)CC 18205 [1,0,0,0,0,0|0,0,0]=1 7 B6R0.9 CC[O+](CC)CC 36159 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.9 CC[O+](CC)CC 8099 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.9 CC[SiH](CC)CC 12847 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.9 COC(CO)OC 35929 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.11 CCN(CC)CCCCl 28210 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.20 CCN(CC)C(=O)CCl 32343 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.22 CCOC(CC)OCC 32331 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.22 CCO[SiH](CC)OCC 10815 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 14165 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 35211 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 BrCC1CCCCC1 3103 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.2 BrCC1CCNCC1 18594 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.2 BrCC1CCOCC1 9559 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.2 CCC1CCCCN1 6758 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 CCN1CCCCC1 7713 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.2 CCN1CCNCC1 8562 [0,0,0,1,0,0|1,0,0]=2 23 B8R1.2 CC[C@@H]1CCCCN1 15599 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.2 CC[C@H]1CCCCN1 15598 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.2 CNC1CCOCC1 17652 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.2 COC1CCNCC1 8024 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.2 ClCC1CCCCC1 9647 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.2 NCC1CCCCC1 20540 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.2 NCC1CCNCC1 6720 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.2 NCC1CCOCC1 9707 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 NCC1CCOCC1 9728 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.2 NNC1CCOCC1 27377 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.2 NNC1CCOCC1 32391 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.2 O=CC1CCOCC1 9736 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.2 O=CN1CCCCC1 7728 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.2 O=CN1CCNCC1 20982 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.2 O=CN1CCOCC1 15134 [0,0,0,1,0,0|1,0,1]=3 38 B8R1.2 OCC1CCCCC1 3098 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.2 OCC1CCNCC1 6777 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.2 OCC1CCNCC1 6819 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.2 OCC1CCOCC1 7872 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.8 C#CCN1CCCC1 34171 [0,0,0,1,0,0|1,0,1]=3 43 B8R1.8 C#CCN1CCCC1 34767 [0,0,0,1,0,0|1,0,1]=3 44 B8R1.8 ClCCN1CCCC1 9357 [0,0,0,1,0,0|1,0,0]=2 45 B8R1.8 NCCN1CCCC1 19139 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.8 NCC[C@H]1CCCN1 20494 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.8 OCCN1CCCC1 16773 [0,0,0,1,0,0|0,0,0]=1 48 B5R0.1 CC(C)CCI 3950 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CC(N)CCO 29198 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CN(C)CC=O 26115 [2,0,0,0,0,0|0,0,2]=4 51 B5R0.1 CN(C)CCS 35662 [2,0,0,0,0,0|0,1,0]=3 52 B5R0.1 C[C@@H](O)CCO 6724 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 C[C@H](O)CCO 6722 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.2 CCCCCI 3960 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.2 CCCNCC 10270 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.2 CCOCCBr 12476 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.2 CCOCCCl 1932 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.2 CNCCCO 30456 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.2 COCCCO 1936 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.2 OCCCCCl 17292 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 OCCCCCl 23235 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.3 CCC(N)CO 14779 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.3 CCP(Cl)CC 6480 [2,0,0,0,0,0|1,1,0]=4 64 B5R0.3 CC[C@@H](O)CO 14093 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.3 CC[C@H](C)CN 16256 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 CC[C@H](O)CO 14096 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.3 CO[C@@H](C)CO 26646 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.2 CCC(C)CC(=O)O 11272 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.2 CC[C@@H](C)CC(=O)O 11275 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.2 CC[C@H](C)CC(=O)O 11273 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.3 CC(CO)CCCO 25460 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.15 CCN(CC)C(=S)[S-] 16843 [1,1,0,0,0,0|0,1,1]=4 73 B7R0.18 CC[Si](Cl)(CC)CC 12836 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.33 CC(C)N(CCCl)C(C)C 9858 [0,2,0,0,0,0|1,0,0]=3 75 B9R0.52 CCN(CC)C[B-](F)(F)F 11559 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.17 CCCP(CCC)CCC 25517 [0,2,0,0,0,0|1,1,0]=4 77 B9R0.17 NCCN(CCN)CCN 27508 [0,2,0,0,0,0|1,0,0]=3 78 B7R1.1 BrCC1CCOC1 24395 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.1 CCN1CCCC1 36488 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.1 CNC1CCOC1 15123 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.1 CNC1CCOC1 24384 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.1 CN[C@@H]1CCOC1 24382 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.1 CN[C@@H]1CCOC1 24386 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 CN[C@H]1CCOC1 24380 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.1 CN[C@H]1CCOC1 24385 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.1 NC[C@@H]1CCOC1 20493 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.1 NC[C@H]1CCOC1 20502 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.1 OCC1CCOC1 20510 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.2 CN1CCC(=O)C1 20342 [1,0,0,1,0,0|0,0,2]=4 90 B7R1.2 CN1CCC(N)C1 15706 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.2 CN1CCC(O)C1 14117 [1,0,0,1,0,0|0,0,0]=2 92 B7R1.2 CN1CC[C@@H](O)C1 13969 [1,0,0,1,0,0|0,0,0]=2 93 B7R1.2 N[C@@H]1CC[C@@H](O)C1 20430 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.2 N[C@@H]1CC[C@@H](O)C1 23914 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.2 N[C@H]1CC[C@@H](O)C1 32220 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.3 BrC1CCOCC1 13108 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 CC1CCNCC1 7707 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.3 CN1CCCCC1 7703 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.3 CN1CCNCC1 15033 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.3 CN1CCNCC1 8561 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.3 CN1CCOCC1 17627 [1,0,0,1,0,0|0,0,0]=2 102 B7R1.3 CN1CCOCC1 18300 [1,0,0,1,0,0|0,0,0]=2 103 B7R1.3 ClC1CCOCC1 36112 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.3 IC1CCOCC1 44921 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 NC1CCOCC1 22240 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 NC1CCOCC1 26069 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 NC1CCOCC1 9558 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.3 NC1CCOCC1 9675 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 NN1CCCCC1 23024 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 NN1CCCCC1 23261 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 NN1CCOCC1 14486 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.3 O=C1CCOCC1 9557 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.3 OC1CCOCC1 10170 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.4 CC1OCCC1=O 7120 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.4 CC1OCCC1S 9972 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.6 OCCN1CCC1 34771 [1,0,0,1,0,0|0,0,0]=2 117 B7R1.29 OCC1(CO)CC1 15258 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.1 CCN1CCC(=O)CC1 6784 [0,1,0,1,0,0|0,0,1]=3 119 B9R1.1 CCN1CCC(N)CC1 8027 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.1 CCN1CCC(O)CC1 7715 [0,1,0,1,0,0|0,0,0]=2 121 B9R1.12 CCCCN1CCCC1 14061 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.12 ClCCCN1CCCC1 23184 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.12 ClCCCN1CCCC1 25574 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.21 OCC1CCC(CO)O1 18778 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.6 CC(=O)C1CCOCC1 23581 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.6 CC(=O)N1CCCCC1 7729 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.6 CC(=O)N1CCNCC1 8565 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.6 CC(=O)N1CCOCC1 35160 [0,1,0,1,0,0|0,0,1]=3 129 B9R1.6 CC(C)N1CCNCC1 15879 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.6 CN(C)C1CCOCC1 26061 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.6 O=C(Cl)N1CCOCC1 36111 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.33 CCCN1CCCC1=O 9160 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.33 O=C1NCCN1CCO 45197 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.2 CCN1CCCC(Cl)C1 6737 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.2 CCN1CCCC(O)C1 7716 [0,1,0,1,0,0|0,0,0]=2 136 B9R1.11 NCC(=O)N1CCCC1 26419 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.11 NCC(=S)N1CCCC1 11506 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.14 CCN1CCCC1CN 18591 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.14 CCN1CCC[C@@H]1CN 11067 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.14 CCN1CCC[C@H]1CN 18590 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.8 BrCCC1CCOCC1 16818 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.8 BrCCN1CCOCC1 25760 [0,1,0,1,0,0|0,0,0]=2 143 B9R1.8 C#CCN1CCNCC1 34188 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.8 C#CCN1CCOCC1 15918 [0,1,0,1,0,0|0,0,1]=3 145 B9R1.8 C=CCN1CCNCC1 9243 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.8 CCCC1CCNCC1 2452 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.8 CCCC1CCNCC1 2489 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.8 CCC[C@@H]1CCCCN1 15600 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.8 CCC[C@H]1CCCCN1 15602 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.8 CCOC1CCNCC1 9355 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.8 ClCCN1CCCCC1 6742 [0,1,0,1,0,0|1,0,0]=3 152 B9R1.8 ClCCN1CCCCC1 7730 [0,1,0,1,0,0|1,0,0]=3 153 B9R1.8 ClCCN1CCNCC1 21370 [0,1,0,1,0,0|1,0,0]=3 154 B9R1.8 ClCCN1CCOCC1 35178 [0,1,0,1,0,0|0,0,0]=2 155 B9R1.8 ClCCN1CCOCC1 35208 [0,1,0,1,0,0|0,0,0]=2 156 B9R1.8 N#CCC1CCOCC1 9733 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.8 NCCC1CCCCO1 17887 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.8 NCCC1CCOCC1 9727 [0,1,0,1,0,0|1,0,0]=3 159 B9R1.8 NCCC1CCOCC1 9732 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.8 NCCN1CCNCC1 8568 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.8 NCCN1CCOCC1 14463 [0,1,0,1,0,0|0,0,0]=2 162 B9R1.8 OCCC1CCCCN1 7711 [0,1,0,1,0,0|1,0,0]=3 163 B9R1.8 OCCC1CCNCC1 6947 [0,1,0,1,0,0|1,0,0]=3 164 B9R1.8 OCCN1CCNCC1 8567 [0,1,0,1,0,0|0,0,0]=2 165 B9R1.8 OCCN1CCSCC1 15774 [0,1,0,1,0,0|0,0,0]=2 166 B9R1.8 OCC[C@@H]1COCCN1 11409 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.8 OCC[C@@H]1COCCN1 16822 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.8 OCC[C@H]1COCCN1 11410 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.8 OCC[C@H]1COCCN1 16823 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.118 CCC1(C)CCNCC1 8039 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.118 CCC1(O)CCCCC1 20382 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.118 CCC1(O)CCCCC1 35497 [0,1,0,1,0,0|2,0,0]=4 173 B9R2.39 OC1CC2CCC1C2 21607 [0,0,0,2,0,0|1,0,0]=3 174 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 21608 [0,0,0,2,0,0|1,0,0]=3 175 B9R2.110 OC12CCC(CC1)C2 21609 [0,0,0,2,0,0|1,0,0]=3 176 B9R2.49 C1CN2CCN1CC2 15925 [0,0,0,2,0,0|1,0,0]=3 177 B9R2.174 C1CC2(CCN1)CC2 35157 [0,0,0,2,0,0|2,0,0]=4