0 B8R0.6 C#CC(O)CCCCC 11033 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.6 C=CC(=O)OCCCC 21089 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.6 CCCSCC(=O)OC 28955 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.6 COC(=O)CCCCN 31883 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.1 C#CCCCCCC 13059 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.1 CCCCCCCBr 3775 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 CCCCCCCI 3944 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 CCCC\C=C\CO 18918 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 CCOCCCCCl 1933 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.3 C=CCOC(=O)OC 26330 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.3 COC(=O)CCC#N 12831 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.3 COC(=O)CCC=O 29717 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.3 COC(=O)\C=C\CBr 26000 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.3 COC(=O)\C=C\CBr 26406 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.3 CO\C=C\C(=O)OC 26434 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 C#CCCCC(=O)O 35033 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.4 C=CCNCC(=O)O 22903 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 CC(=O)CCCCCl 29051 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.4 CC(C)CCCCBr 35107 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 CCCCCB(O)O 27260 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.4 CCCCCC(=O)Cl 21359 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.4 CCCCCC(C)O 3094 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.4 CCCCC[C@@H](C)O 6739 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.4 CCCCC[C@H](C)O 6736 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.4 CCC\C=C\C(C)=O 18920 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.4 CCO\C=C\C(=O)O 20958 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 COCCOC(=O)Cl 12774 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.4 NCCCCC(=O)O 18964 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.4 NCCCCC(=O)O 31880 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.4 O=C(Cl)CCCCBr 36169 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.4 O=C(Cl)CCCCCl 10919 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.4 O=C(O)CCCCBr 3843 [1,0,0,0,0,0|1,0,0]=2 32 B9R0.1 COC(=O)CCCC(=O)Cl 14033 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.5 CCCCCC(=O)OCC 15737 [0,1,0,0,0,0|0,0,0]=1 34 B9R0.5 CCOC(=O)CCCCBr 3955 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.5 CCOC(=O)CCCCN 31885 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.5 CCOC(=O)CCN=C=O 30451 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.5 CCO\C=C\C(=O)OCC 12909 [0,1,0,0,0,0|1,0,2]=4 38 B9R0.5 CCO\C=C\C(=O)OCC 27595 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.8 COC(=O)[C@@H](N)CCCN 18996 [0,1,0,0,0,0|1,0,0]=2 40 B9R0.8 COC(=O)[C@@H](N)CCSC 14925 [0,1,0,0,0,0|1,0,0]=2 41 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 30308 [0,1,0,0,0,0|1,0,2]=4 42 B9R0.34 COCC(=O)CC(=O)OC 10473 [0,1,0,0,0,0|1,0,1]=3 43 B9R0.46 CCC(C)CCCCCBr 18977 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.46 COC(=O)CCCCCBr 16910 [0,1,0,0,0,0|0,0,0]=1 45 B9R0.47 C=C(C)C(=O)NCCCN 23321 [0,1,0,0,0,0|3,0,0]=4 46 B9R0.47 C=C(F)C(=O)OCCCC 32379 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.47 C=CCCCC(=O)N(C)C 36182 [0,1,0,0,0,0|1,0,2]=4 48 B9R0.47 CN(C)C(=O)CCCCBr 36181 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.1 CCN1CCC(=O)CC1 6784 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.1 O=C1CCC(CO)CC1 20341 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.1 O=CC1CCC(=O)CC1 2083 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.3 CC1C(=O)CCCC1=O 15384 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.5 CN1CCCCCC1=O 36383 [0,0,0,1,0,0|1,0,0]=2 54 B9R1.5 NC1CCCCNC1=O 20137 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.5 N[C@H]1CCCCNC1=O 14097 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.11 COC(=O)C1=CCCC1 2487 [0,0,0,1,0,0|0,0,2]=3 58 B9R1.11 COC(=O)C1CCCO1 2380 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.11 COC(=O)C1CCNC1 18897 [0,0,0,1,0,0|1,0,0]=2 60 B9R1.11 COC(=O)[C@@H]1CCCN1 10887 [0,0,0,1,0,0|1,0,0]=2 61 B9R1.11 COC(=O)[C@@H]1CCNC1 20164 [0,0,0,1,0,0|1,0,0]=2 62 B9R1.11 COC(=O)[C@H]1CCCN1 10888 [0,0,0,1,0,0|1,0,0]=2 63 B9R1.11 NCC(=O)N1CCCC1 26419 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.21 COC1CCC(OC)O1 6927 [0,0,0,1,0,0|1,0,2]=4 65 B9R1.49 CN1CCCC(=O)CC1 2442 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.49 CN1CCCC(=O)CC1 2443 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.80 COC(=O)CNC1CC1 30154 [0,0,0,1,0,0|1,0,0]=2 68 B9R1.118 CCC1(O)CCCCC1 20382 [0,0,0,1,0,0|1,0,2]=4 69 B9R1.118 CCC1(O)CCCCC1 35497 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.118 COC1(C)CCNCC1 17539 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.118 COC1(C)CCNCC1 23912 [0,0,0,1,0,0|2,0,1]=4 72 B6R0.6 C#CCCCCC 13058 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.6 CCCCCC=O 3077 [2,0,0,0,0,0|0,0,0]=2 74 B6R0.6 CCCCCCBr 3776 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.6 CCCCCCI 3945 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.6 CCCCNCC 10254 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.6 CCCCOCC 12525 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.6 CCOCCCO 1937 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.6 COCCCCCl 1935 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.6 COCCCCO 1938 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.6 COCCOCCl 10093 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.6 O=CCCCCCl 27418 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.6 OCCCCCBr 22989 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.1 CC#CC(=O)OC 12783 [2,0,0,0,0,0|0,0,2]=4 85 B6R0.1 CNCC(=O)OC 10901 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.1 COC(=O)CCBr 19970 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.1 COC(=O)CCN 10900 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.1 [C-]#[N+]CC(=O)OC 36045 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.4 C#CCCC(=O)O 32190 [2,0,0,0,0,0|0,0,2]=4 90 B6R0.4 C=C(C)CNCC 10272 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.4 C=CCCC(=O)O 20009 [2,0,0,0,0,0|0,0,2]=4 92 B6R0.4 CC(=O)CCCCl 17207 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.4 CC(=O)NCCN 19141 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.4 CC(=O)OCCBr 19081 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.4 CCCCB(O)O 1765 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.4 CCCCC(=O)Cl 21358 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.4 CCCCC(=O)[O-] 27064 [2,0,0,0,0,0|0,0,1]=3 98 B6R0.4 CCCC[C@@H](C)N 6753 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.4 CCCC[C@@H](C)O 6730 [2,0,0,0,0,0|0,0,2]=4 100 B6R0.4 CCCC[C@H](C)N 6750 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.4 CCCC[C@H](C)O 6732 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.4 CCNCC(=O)O 23122 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.4 CC\C=C\C(C)=O 32068 [2,0,0,0,0,0|0,0,2]=4 104 B6R0.4 O=C(Cl)CCCCl 32347 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.4 O=C(O)CCCBr 3754 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.4 O=C(O)CCCS 36247 [2,0,0,0,0,0|1,0,0]=3 107 B8R0.4 CCCCCC#CCO 13066 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.4 CCCCCCCCI 3959 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.4 CCCCC\C=C\CO 18916 [1,1,0,0,0,0|1,0,0]=3 110 B8R0.7 CCCCCCC(C)=O 26418 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.7 CCCCCCC(C)O 21480 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.7 CCCCCC[C@@H](C)N 6754 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.7 CCCCCC[C@@H](C)O 6072 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.7 CCCCCC[C@H](C)N 6748 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.7 CCCCCC[C@H](C)O 17259 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.7 CCCCCC[C@H](C)O 6073 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.3 C=CC[C@@H](N)C(=O)OC 30168 [1,1,0,0,0,0|0,0,2]=4 118 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [1,1,0,0,0,0|0,0,0]=2 119 B8R0.9 COC(=O)CCC(=O)Cl 13239 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.19 CCC(=O)CC(=O)CC 21961 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.19 CCC(=O)CC(=O)OC 18684 [1,1,0,0,0,0|0,0,1]=3 122 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [1,1,0,0,0,0|0,0,0]=2 123 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [1,1,0,0,0,0|0,0,0]=2 124 B8R0.19 COC(=O)CC(=O)CCl 11042 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.19 COC(=O)CC(O)CCl 21114 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.19 COC(=O)C[C@H](O)CBr 15563 [1,1,0,0,0,0|1,0,0]=3 127 B8R0.5 C#CC[C@@H](N)CC(=O)O 30075 [1,1,0,0,0,0|0,0,2]=4 128 B8R0.5 C#CC[C@H](N)CC(=O)O 30067 [1,1,0,0,0,0|0,0,2]=4 129 B8R0.5 C=CC[C@@H](N)CC(=O)O 30072 [1,1,0,0,0,0|0,0,2]=4 130 B8R0.5 C=CC[C@H](N)CC(=O)O 30120 [1,1,0,0,0,0|0,0,2]=4 131 B8R0.5 CCOC(=O)CC(C)=O 14160 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.5 COCC(C)OC(C)=O 4049 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.21 CCCCCS(=O)(=O)[O-] 25498 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.21 O=S(=O)(O)CCCCO 32076 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.28 CC(=O)CCC=C(C)C 35423 [1,1,0,0,0,0|0,0,2]=4 136 B8R0.28 CC(C)CCCC(=O)O 36049 [1,1,0,0,0,0|0,0,0]=2 137 B8R0.28 CN(C)CCCC(=O)O 35953 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.28 O=C(O)CCCC(=O)O 18989 [1,1,0,0,0,0|1,0,1]=4 139 B10R0.3 CCOC(=O)CCCC(=O)Cl 16647 [0,2,0,0,0,0|1,0,1]=4 140 B10R0.3 CCOC(=O)CCCC(C)=O 27277 [0,2,0,0,0,0|0,0,1]=3 141 B10R0.44 COC(=O)CC(C)CC(=O)[O-] 29219 [0,2,0,0,0,0|1,0,1]=4 142 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 13174 [0,2,0,0,0,0|1,0,1]=4 143 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 6337 [0,2,0,0,0,0|1,0,1]=4 144 B10R0.57 COC(=O)[C@H](N)CCC(N)=O 6336 [0,2,0,0,0,0|1,0,1]=4 145 B10R0.59 COC(=O)COCC(=S)OC 10749 [0,2,0,0,0,0|1,0,1]=4 146 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 14918 [0,2,0,0,0,0|1,0,1]=4 147 B10R0.1 CCOC(=O)CCCCCBr 3953 [0,2,0,0,0,0|0,0,0]=2 148 B10R0.2 CCOC(=O)CC(=O)OCC 23745 [0,2,0,0,0,0|1,0,1]=4 149 B10R0.2 CCOC(=O)C[C@@H](O)CC#N 21112 [0,2,0,0,0,0|1,0,1]=4 150 B10R0.2 CCOC(=O)C[C@H](O)CC#N 5748 [0,2,0,0,0,0|1,0,1]=4 151 B10R0.19 CCCCC(=O)C(=O)OCC 18138 [0,2,0,0,0,0|0,0,1]=3 152 B10R0.19 CCOC(=O)[C@@H](N)CCSC 14924 [0,2,0,0,0,0|1,0,0]=3 153 B10R0.83 COC(=O)[C@@H](N)CCCCN 18979 [0,2,0,0,0,0|0,0,0]=2 154 B10R0.46 COC(=O)CC(N)C(=O)OC 25027 [0,2,0,0,0,0|1,0,1]=4 155 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC 25021 [0,2,0,0,0,0|1,0,1]=4 156 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC 6781 [0,2,0,0,0,0|1,0,1]=4 157 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 10903 [0,2,0,0,0,0|1,0,1]=4 158 B10R0.46 COC(=O)C[C@H](O)C(=O)OC 6778 [0,2,0,0,0,0|1,0,1]=4 159 B10R0.74 CCCCCC#CC(=O)OC 45055 [0,2,0,0,0,0|0,0,0]=2 160 B8R1.2 CCN1CCCCC1 7713 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.2 CC[C@@H]1COCCN1 11361 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.2 CC[C@@H]1COCCN1 17027 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.2 CC[C@H]1COCCN1 11362 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.2 CC[C@H]1COCCN1 17024 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.2 COC1CCNCC1 8024 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.2 NCC1CCCOC1 14606 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.2 NCC1CCCOC1 16813 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.2 OCC1CCCOC1 35472 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.2 OCC1CCCOC1 35472 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.5 CC1CCCNC1C 6756 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.8 COCC1CCCN1 23933 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.8 COC[C@@H]1CCCN1 18171 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.8 COC[C@H]1CCCN1 8186 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.1 O=C1C[C@H](CF)CO1 29192 [1,0,0,1,0,0|1,0,0]=3 175 B8R1.1 O=C1N[C@@H](CI)CO1 19948 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.1 O=C1N[C@H](CO)CO1 26420 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.1 O=C1OCC(CO)O1 36276 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.3 CN1CCC(=O)CC1 8508 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.3 O=C1CCC(O)CN1 20072 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.3 O=C1CC[C@@H](O)CN1 20077 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.3 O=C1CC[C@H](O)CN1 20075 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.38 COC(=O)C1CCC1 23839 [1,0,0,1,0,0|0,0,0]=2 183 B8R1.38 COC(=O)C1CCN1 23978 [1,0,0,1,0,0|1,0,0]=3 184 B8R1.38 COC(=O)C1CNC1 18800 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.38 COC(=O)C1CNC1 23516 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.4 CN1CCNC(=O)C1 23318 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.4 C[C@H]1CCC[C@@H](C)N1 35553 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.4 NC1CCNC(=O)C1 22226 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.4 O=C1CCCC(=O)C1 11104 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.4 O=C1CCCC(=O)O1 36227 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.7 CC(=O)C1CCCC1 16480 [1,0,0,1,0,0|0,0,0]=2 192 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.7 O=C(Cl)C1CCCC1 13237 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.7 O=C(Cl)C1CCOC1 30317 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.7 O=C(O)C1CCCC1 14153 [1,0,0,1,0,0|0,0,0]=2 198 B8R1.7 O=C(O)C1CCCN1 20613 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.7 O=C(O)C1CCCO1 7088 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.7 O=C(O)C1CCNC1 10439 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.7 O=C(O)C1CCNC1 16223 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.7 O=C(O)C1CCOC1 22077 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.7 O=C(O)[C@@H]1CCNC1 11127 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.7 O=C(O)[C@@H]1CCNC1 15979 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.7 O=C(O)[C@@H]1COCN1 16415 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.7 O=C(O)[C@@H]1CSCN1 8297 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.7 O=C(O)[C@H]1CCNC1 11126 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.7 O=C(O)[C@H]1CCNC1 15978 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.7 OB(O)C1CCCC1 7792 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.72 CC1(O)CCCCC1 20381 [1,0,0,1,0,0|0,0,2]=4 214 B8R1.72 CC1(O)CCCCC1 26390 [1,0,0,1,0,0|0,0,2]=4 215 B8R1.72 C[Si]1(C)CCCCC1 27252 [1,0,0,1,0,0|1,1,0]=4 216 B10R1.13 CC(C)N1CCC(=O)CC1 8897 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.14 COC(=O)C1CCC(=O)C1 15798 [0,1,0,1,0,0|0,0,1]=3 218 B10R1.14 COC(=O)C1CNC(=O)C1 35685 [0,1,0,1,0,0|1,0,1]=4 219 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 10949 [0,1,0,1,0,0|1,0,1]=4 220 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 14917 [0,1,0,1,0,0|1,0,0]=3 221 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 35210 [0,1,0,1,0,0|1,0,1]=4 222 B10R1.11 CCOC(=O)C1CC=CC1 20010 [0,1,0,1,0,0|0,0,2]=4 223 B10R1.11 CCOC(=O)C1CCCN1 15638 [0,1,0,1,0,0|1,0,0]=3 224 B10R1.11 CCOC(=O)C1CCCO1 7091 [0,1,0,1,0,0|1,0,0]=3 225 B10R1.11 CCOC(=O)C1CCNC1 14291 [0,1,0,1,0,0|1,0,0]=3 226 B10R1.11 CCOC(=O)C1CCNC1 18711 [0,1,0,1,0,0|1,0,0]=3 227 B10R1.11 CCOC(=O)C1CCNC1 20614 [0,1,0,1,0,0|1,0,0]=3 228 B10R1.11 CCOC(=O)[C@H]1CCCN1 45085 [0,1,0,1,0,0|1,0,0]=3 229 B10R1.21 CCCCCC1=CC=CO1 7059 [0,1,0,1,0,0|1,0,1]=4 230 B10R1.29 CCCCN1CCCC1=O 9159 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.130 CCCC1=CC(=O)OC1O 31789 [0,1,0,1,0,0|0,0,2]=4 232 B10R1.7 NC1CCCCCNC1=O 14099 [0,1,0,1,0,0|1,0,0]=3 233 B10R1.15 COC(=O)C1=CCCCC1 11031 [0,1,0,1,0,0|0,0,1]=3 234 B10R1.15 COC(=O)C1CCCCC1 11146 [0,1,0,1,0,0|0,0,0]=2 235 B10R1.15 COC(=O)C1CCCCN1 9441 [0,1,0,1,0,0|0,0,0]=2 236 B10R1.15 COC(=O)C1CCCCO1 19541 [0,1,0,1,0,0|0,0,0]=2 237 B10R1.15 COC(=O)C1CCCNC1 11756 [0,1,0,1,0,0|0,0,0]=2 238 B10R1.15 COC(=O)C1CCNCC1 7745 [0,1,0,1,0,0|0,0,0]=2 239 B10R1.15 COC(=O)C1CCOCC1 9715 [0,1,0,1,0,0|0,0,0]=2 240 B10R1.15 COC(=O)N1CCNCC1 45137 [0,1,0,1,0,0|1,0,0]=3 241 B10R1.15 COC(=O)[C@H]1CCCCN1 24184 [0,1,0,1,0,0|0,0,0]=2 242 B10R1.15 NCC(=O)N1CCCCC1 9268 [0,1,0,1,0,0|2,0,0]=4 243 B10R1.15 O=C(CCl)N1CCCCC1 8026 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.159 C=C[C@@H]1C[C@]1(N)C(=O)OC 28191 [0,1,0,1,0,0|0,0,2]=4 245 B10R1.411 COC(=O)C1(N)CCCC1 13876 [0,1,0,1,0,0|0,0,0]=2 246 B10R1.149 COC(=O)C1CCCC1O 17158 [0,1,0,1,0,0|0,0,0]=2 247 B10R1.149 COC(=O)C1CSCC1=O 15771 [0,1,0,1,0,0|1,0,1]=4 248 B10R1.1 CCCC1CCC(=O)CC1 14023 [0,1,0,1,0,0|1,0,0]=3 249 B10R1.1 CCCN1CCC(=O)CC1 2038 [0,1,0,1,0,0|1,0,0]=3 250 B10R1.23 C[C@H](O)C(=O)N1CCCC1 32044 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.487 COC1(OC)CCCCC1 15193 [0,1,0,1,0,0|0,0,2]=4 252 B10R2.335 O=C1CCC2(CC1)CC2 20286 [0,0,0,2,0,0|1,0,0]=3 253 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 28174 [0,0,0,2,0,0|0,0,2]=4