0 B8R0.7 CC(=O)OCCCCCl 13100 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 CCCCCCB(O)O 29486 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.7 CCCCCCC(C)=O 26418 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.7 CCCCCCC(C)O 21480 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.7 CCCCCC[C@@H](C)N 6754 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.7 CCCCCC[C@@H](C)O 6072 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.7 CCCCCC[C@H](C)N 6748 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.7 CCCCCC[C@H](C)O 17259 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.7 CCCCCC[C@H](C)O 6073 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.7 COCCOCC(=O)O 31986 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.7 NCCCCCC(=O)O 35821 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.7 O=C(O)CCCCCBr 3777 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.1 BrCCCCCCBr 3894 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.1 C#CCCCCCC 13059 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.1 C#CCCCCCO 13080 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.1 C=CCCCCCBr 26398 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.1 C=CCCCCCCl 25249 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.1 CCCCC#CCO 13065 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.1 CCCCCCCBr 3775 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.1 CCCCCCCI 3944 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.1 CCCC\C=C\CO 18918 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.1 CCOCCCCCl 1933 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.1 ICCCCCCI 3846 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 N#CCCCCCBr 12505 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.1 NCCCCCCO 13750 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.1 OCCCCCCCl 16921 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.4 CC(=O)CCCCCl 29051 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.4 CC(C)CCCCBr 35107 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.4 CCCCCB(O)O 27260 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.4 CCCCCC(=O)Cl 21359 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.4 CCCCCC(C)O 3094 [1,0,0,0,0,0|0,0,0]=1 31 B7R0.4 CCCCC[C@@H](C)O 6739 [1,0,0,0,0,0|0,0,0]=1 32 B7R0.4 CCCCC[C@H](C)O 6736 [1,0,0,0,0,0|0,0,0]=1 33 B7R0.4 NCCCCC(=O)O 18964 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 NCCCCC(=O)O 31880 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 O=C(O)CCCCBr 3843 [1,0,0,0,0,0|2,0,1]=4 36 B9R0.2 CC(=O)OCCCCCCl 3676 [0,1,0,0,0,0|1,0,2]=4 37 B9R0.2 CC(C)CCCCCCBr 18956 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.2 CCCCCCCC(=O)[O-] 12870 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.4 CSCC[C@H](N)CC(=O)O 30081 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.38 CCCCCCS(=O)(=O)[O-] 25499 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.46 CCC(C)CCCCCBr 18977 [0,1,0,0,0,0|2,0,0]=3 42 B9R0.46 CCCCCCC(C)CBr 18952 [0,1,0,0,0,0|1,0,0]=2 43 B9R0.46 CCCCCCC(O)CO 36051 [0,1,0,0,0,0|0,0,0]=1 44 B9R0.46 COC(=O)CCCCCBr 16910 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.47 NCCCCC(N)C(=O)O 12390 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.47 NCCCCC(N)C(=O)O 12448 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.47 NCCCC[C@@H](N)C(=O)O 13028 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.47 NCCCC[C@@H](N)C(=O)O 17982 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.47 NCCCC[C@@H](N)C(=O)O 6286 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.47 NCCCC[C@H](N)C(=O)O 23203 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.47 NCCCC[C@H](N)C(=O)O 36140 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.47 NCCCC[C@H](N)C(=O)O 36361 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.47 NCCCC[C@H](N)C(=O)O 7967 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.47 N[C@@H](CCCCO)C(=O)O 29947 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.2 CCN1CCCC(Cl)C1 6737 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.2 CCN1CCCC(O)C1 7716 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.2 CN1CCCC(CO)C1 8874 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.6 CC(=O)C1CCNCC1 23348 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.6 CC(=O)C1CCOCC1 23581 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.6 CC(=O)N1CCCCC1 7729 [0,0,0,1,0,0|1,0,2]=4 61 B9R1.6 CC(C)N1CCNCC1 15879 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.6 CC(C)[C@@H]1CNCCO1 17562 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.6 CC(C)[C@@H]1CNCCO1 17564 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.6 CC(C)[C@@H]1COCCN1 11415 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.6 CC(C)[C@@H]1COCCN1 21103 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.6 CC(C)[C@H]1CNCCO1 17561 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.6 CC(C)[C@H]1CNCCO1 17563 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.6 CC(C)[C@H]1COCCN1 11416 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.6 CC(N)C1=CCCCC1 36006 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.6 CN(C)C1CCCNC1 6751 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.6 CN(C)C1CCNCC1 19773 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.6 CN(C)C1CCNCC1 6749 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.6 CN(C)C1CCOCC1 26061 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.6 FC(F)C1CCNCC1 33404 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.6 O=C(Cl)C1CCCCC1 35229 [0,0,0,1,0,0|1,0,2]=4 76 B9R1.6 O=C(O)C1CCCCC1 10570 [0,0,0,1,0,0|1,0,1]=3 77 B9R1.6 O=C(O)C1CCCCN1 7628 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.6 O=C(O)C1CCCCN1 7717 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.6 O=C(O)C1CCCCO1 19589 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.6 O=C(O)C1CCCNC1 6793 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.6 O=C(O)C1CCCOC1 19540 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.6 O=C(O)C1CCNCC1 7718 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.6 O=C(O)C1CCOCC1 9730 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.6 O=C(O)N1CCCCC1 6791 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.6 O=C(O)[C@@H]1CCCCN1 5567 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.6 O=C(O)[C@@H]1CCCNC1 5658 [0,0,0,1,0,0|2,0,1]=4 87 B9R1.6 O=C(O)[C@H]1CCCCN1 5635 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.6 O=C(O)[C@H]1CCCNC1 5657 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.6 OB(O)C1CCCCC1 6024 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.13 O=C(O)CC1CCCO1 15380 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.13 O=C(O)C[C@@H]1CCCN1 15697 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 23256 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 19520 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 23258 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 23259 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 27193 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 23257 [0,0,0,1,0,0|2,0,1]=4 98 B6R0.6 BrCCCCCBr 3909 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.6 C#CCCCCC 13058 [2,0,0,0,0,0|0,0,2]=4 100 B6R0.6 C#CCCCCO 13078 [2,0,0,0,0,0|0,0,2]=4 101 B6R0.6 CC#CCCCO 13089 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.6 CCCC#CCO 13064 [2,0,0,0,0,0|0,0,2]=4 103 B6R0.6 CCCCCC=O 3077 [2,0,0,0,0,0|0,0,2]=4 104 B6R0.6 CCCCCCBr 3776 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.6 CCCCCCI 3945 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.6 CCCCNCC 10254 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.6 CCCCOCC 12525 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.6 CCCOCCCl 14348 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.6 CCC\C=C\CO 18917 [2,0,0,0,0,0|0,0,2]=4 110 B6R0.6 CCOCCCO 1937 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.6 COCCCCCl 1935 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.6 COCCCCO 1938 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.6 ClCCCCCBr 15271 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.6 ICCCCCI 3853 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.6 OCCCCCBr 22989 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.6 OCCSCCO 35355 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 CC(Br)CCCBr 12546 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.4 CCCCB(O)O 1765 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.4 CCCC[C@@H](C)N 6753 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.4 CCCC[C@@H](C)O 6730 [2,0,0,0,0,0|0,0,0]=2 121 B6R0.4 CCCC[C@H](C)N 6750 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.4 CCCC[C@H](C)O 6732 [2,0,0,0,0,0|0,0,0]=2 123 B6R0.4 CNCCC(C)C 16229 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.4 COCCC(O)Br 10478 [2,0,0,0,0,0|2,0,0]=4 125 B8R0.4 BrCCCCCCCBr 3887 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.4 C#CCCCCCCC 13060 [1,1,0,0,0,0|0,0,1]=3 127 B8R0.4 CCCCC#CCCO 13072 [1,1,0,0,0,0|0,0,1]=3 128 B8R0.4 CCCCCC#CCO 13066 [1,1,0,0,0,0|0,0,1]=3 129 B8R0.4 CCCCCCCCI 3959 [1,1,0,0,0,0|0,0,0]=2 130 B8R0.4 CCCCC\C=C\CO 18916 [1,1,0,0,0,0|0,0,1]=3 131 B8R0.4 CCCOCCCCCl 1931 [1,1,0,0,0,0|1,0,0]=3 132 B8R0.4 OCCCCCCCO 11489 [1,1,0,0,0,0|0,0,0]=2 133 B8R0.6 C#CC(O)CCCCC 11033 [1,1,0,0,0,0|0,0,2]=4 134 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.8 CCCCC(N)B(O)O 33619 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.8 CCCC[C@@H](N)C(=O)O 27353 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.8 CCCC[C@H](N)C(=O)O 21410 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.28 CC(C)CCCC(=O)O 36049 [1,1,0,0,0,0|1,0,1]=4 141 B10R0.65 CCC(C)(O)CCCC(C)C 35062 [0,2,0,0,0,0|1,0,0]=3 142 B10R0.98 CC(C)CCC[C@H](N)C(=O)O 29990 [0,2,0,0,0,0|1,0,1]=4 143 B10R0.4 C=CCCCCCCC(=O)O 27146 [0,2,0,0,0,0|1,0,1]=4 144 B10R0.4 CCCCCCCCB(O)O 29487 [0,2,0,0,0,0|2,0,0]=4 145 B10R0.4 CCCCCCCCN(C)C 35306 [0,2,0,0,0,0|2,0,0]=4 146 B10R0.4 NCCCCCCCC(=O)O 13165 [0,2,0,0,0,0|1,0,1]=4 147 B10R0.6 NCCCC[C@H](N)CC(=O)O 30079 [0,2,0,0,0,0|1,0,1]=4 148 B10R0.75 CNCCCCC(N)C(=O)O 27554 [0,2,0,0,0,0|1,0,1]=4 149 B10R0.97 CC(C)CCSCCC(C)C 21970 [0,2,0,0,0,0|1,0,0]=3 150 B10R0.81 CCCCC(N)C(O)C(=O)O 24556 [0,2,0,0,0,0|1,0,1]=4 151 B10R0.81 CCCC[C@@H](N)[C@@H](O)C(=O)O 24511 [0,2,0,0,0,0|1,0,1]=4 152 B10R0.81 CCCC[C@@H](N)[C@H](O)C(=O)O 24509 [0,2,0,0,0,0|1,0,1]=4 153 B10R0.81 CCCC[C@H](N)[C@@H](O)C(=O)O 24565 [0,2,0,0,0,0|1,0,1]=4 154 B10R0.108 COCC(C)OCC(C)OC 36255 [0,2,0,0,0,0|2,0,0]=4 155 B8R1.2 BrCC1CCCCC1 3103 [1,0,0,1,0,0|1,0,0]=3 156 B8R1.2 BrCC1CCNCC1 18594 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.2 BrCC1CCOCC1 9559 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.2 CCC1CCCCN1 6758 [1,0,0,1,0,0|1,0,0]=3 159 B8R1.2 CCN1CCCCC1 7713 [1,0,0,1,0,0|1,0,0]=3 160 B8R1.2 CCN1CCNCC1 8562 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.2 CC[C@@H]1CCCCN1 15599 [1,0,0,1,0,0|1,0,0]=3 162 B8R1.2 CC[C@@H]1COCCN1 11361 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.2 CC[C@@H]1COCCN1 17027 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.2 CC[C@H]1CCCCN1 15598 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.2 CC[C@H]1CNCCO1 11357 [1,0,0,1,0,0|1,0,0]=3 166 B8R1.2 CC[C@H]1CNCCO1 17498 [1,0,0,1,0,0|1,0,0]=3 167 B8R1.2 CC[C@H]1COCCN1 11362 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.2 CC[C@H]1COCCN1 17024 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.2 CNC1CCCNC1 6874 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.2 CNC1CCOCC1 17652 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.2 COC1CCNCC1 8024 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.2 ClCC1CCCCC1 9647 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.2 NCC1CCCCC1 20540 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.2 NCC1CCCCN1 6725 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.2 NCC1CCCNC1 35502 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.2 NCC1CCCNC1 6723 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.2 NCC1CCCOC1 14606 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.2 NCC1CCCOC1 16813 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.2 NCC1CCNCC1 6720 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.2 NCC1CCOCC1 9707 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.2 NCC1CCOCC1 9728 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.2 NC[C@@H]1COCCO1 44854 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.2 NNC1CCCCC1 24152 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.2 NNC1CCCCC1 33541 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.2 NNC1CCCCC1 33542 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.2 NOC1CCCCO1 13867 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.2 O=CC1CCCCC1 3082 [1,0,0,1,0,0|0,0,2]=4 188 B8R1.2 OCC1CCCCC1 3098 [1,0,0,1,0,0|0,0,0]=2 189 B8R1.2 OCC1CCCCN1 6779 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.2 OCC1CCCCO1 9734 [1,0,0,1,0,0|1,0,0]=3 191 B8R1.2 OCC1CCCNC1 6775 [1,0,0,1,0,0|1,0,0]=3 192 B8R1.2 OCC1CCCOC1 35472 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.2 OCC1CCCOC1 35472 [1,0,0,1,0,0|1,0,0]=3 194 B8R1.2 OCC1CCNCC1 6777 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.2 OCC1CCNCC1 6819 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.2 OCC1CCOCC1 7872 [1,0,0,1,0,0|1,0,0]=3 197 B8R1.2 OC[C@@H]1CCCNC1 16103 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.2 OC[C@@H]1CNCCO1 24738 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.2 OC[C@@H]1COCCN1 11411 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.2 OC[C@@H]1COCCN1 21793 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.2 OC[C@H]1CCCNC1 16102 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.2 OC[C@H]1CNCCO1 25361 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.2 OC[C@H]1COCCN1 11412 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.2 OC[C@H]1COCCN1 16824 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.2 [C-]#[N+]C1CCCCC1 20479 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.5 CC1CCCCC1=O 15725 [1,0,0,1,0,0|0,0,2]=4 207 B8R1.5 CC1CCCCC1O 10840 [1,0,0,1,0,0|0,0,0]=2 208 B8R1.5 CC1CCCNC1C 6756 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.5 CC1CNCCN1C 9353 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.5 NC1CCCCC1O 35400 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.5 NC1COCCC1O 26557 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.5 N[C@@H]1CCCC[C@@H]1O 15185 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.5 N[C@@H]1CCCC[C@H]1N 5751 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.5 N[C@@H]1CCCC[C@H]1O 15120 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.5 N[C@@H]1CCCC[C@H]1O 15180 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.5 N[C@@H]1CCCC[C@H]1O 19553 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.5 N[C@@H]1CCOC[C@H]1O 27274 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.5 N[C@H]1CCCC[C@@H]1N 11249 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.5 N[C@H]1CCCC[C@@H]1N 5753 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.5 N[C@H]1CCCC[C@@H]1O 15181 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.5 N[C@H]1CCCC[C@@H]1O 17368 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.5 N[C@H]1CCCC[C@H]1N 30381 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.5 N[C@H]1CCCC[C@H]1O 14514 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.5 N[C@H]1CCCC[C@H]1O 15183 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.5 N[C@H]1CCCC[C@H]1O 19551 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.8 BrCCC1OCCO1 35931 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.8 COCC1CCCN1 23933 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.8 COC[C@@H]1CCCN1 18171 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.8 COC[C@H]1CCCN1 8186 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.8 ClCCN1CCCC1 9357 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.8 NCCC1OCCO1 16803 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.8 NCCN1CCCC1 19139 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.8 NCC[C@H]1CCCN1 20494 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.8 OCCN1CCCC1 16773 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.11 CN1CCCC1CO 9180 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.11 CN1CCC[C@H]1CO 7069 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.22 N[C@@H]1CCCCNC1 22272 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.22 O=C1CCCCCC1 15555 [1,0,0,1,0,0|0,0,2]=4 239 B8R1.22 O=C1CCCCCO1 15924 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 14165 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 35211 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.4 CC1CCNC(C)C1 6757 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.4 CC1CNCC(C)C1 7709 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.4 CC1CNCC(C)N1 8571 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.4 CN1CCCC(O)C1 6759 [1,0,0,1,0,0|1,0,0]=3 246 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 24849 [1,0,0,1,0,0|1,0,0]=3 247 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 35396 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.4 C[C@H]1CCC[C@@H](C)N1 35553 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.4 C[C@H]1CNC[C@@H](C)N1 35970 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.4 C[C@H]1CNC[C@@H](C)O1 16624 [1,0,0,1,0,0|1,0,0]=3 251 B8R1.4 NC1CCCC(O)C1 12673 [1,0,0,1,0,0|1,0,0]=3 252 B8R1.4 N[C@@H]1CCC[C@H](O)C1 19468 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.4 N[C@H]1CCC[C@@H](N)C1 19481 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.4 N[C@H]1CCC[C@H](N)C1 19480 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.4 N[C@H]1CCC[C@H](O)C1 19472 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.4 OC1CCCC(O)C1 44853 [1,0,0,1,0,0|1,0,0]=3 257 B8R1.7 CC(=O)C1CCCC1 16480 [1,0,0,1,0,0|0,0,2]=4 258 B8R1.7 O=C(O)C1CCCC1 14153 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.7 OB(O)C1CCCC1 7792 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.72 CC1(C)CCCNC1 10316 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.72 CC1(C)CCNCC1 36087 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.72 CC1(C)CCNCC1 8038 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.72 CC1(O)CCCCC1 20381 [1,0,0,1,0,0|0,0,0]=2 264 B8R1.72 CC1(O)CCCCC1 26390 [1,0,0,1,0,0|0,0,0]=2 265 B8R1.72 CC1(O)CCNCC1 17607 [1,0,0,1,0,0|1,0,0]=3 266 B8R1.72 CC1(O)CCNCC1 30335 [1,0,0,1,0,0|1,0,0]=3 267 B8R1.72 C[Si]1(C)CCCCC1 27252 [1,0,0,1,0,0|1,1,0]=4 268 B10R1.13 CC(C)N1CCC(O)CC1 23719 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 2493 [0,1,0,1,0,0|1,0,1]=4 270 B10R1.13 NC1CCC(C(=O)O)CC1 23274 [0,1,0,1,0,0|1,0,1]=4 271 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 21310 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 14085 [0,1,0,1,0,0|1,0,1]=4 273 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 4022 [0,1,0,1,0,0|1,0,1]=4 274 B10R1.171 CC1(C)CNC[C@@H](CO)O1 31689 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.171 CC1(C)CNC[C@H](CO)O1 31683 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.171 CC1(C)OCC[C@@H](CO)O1 20500 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.171 CC1(C)OCC[C@H](CO)O1 20501 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.18 CC(C)CN1CCNCC1 8566 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.18 CC(C)C[C@@H]1COCCN1 11413 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.18 CC(C)C[C@H]1COCCN1 11414 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.18 O=C(O)CC1CCNCC1 30432 [0,1,0,1,0,0|1,0,1]=4 282 B10R1.18 O=C(O)CC1CCOCC1 9729 [0,1,0,1,0,0|1,0,1]=4 283 B10R1.61 CC(C)C1CCCCC1=O 20246 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.61 CN1CCCCC1C(=O)O 8006 [0,1,0,1,0,0|1,0,1]=4 285 B10R1.95 CC1(C)OC[C@@H](CCO)O1 20499 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.95 CC1(C)OC[C@H](CCO)O1 20498 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.1 CCCC1CCC(=O)CC1 14023 [0,1,0,1,0,0|0,0,2]=4 288 B10R1.1 CCCN1CCC(N)CC1 8022 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.1 NCCN1CCC(O)CC1 6824 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.15 COC(=O)C1CCCCC1 11146 [0,1,0,1,0,0|0,0,2]=4 291 B10R1.15 N#C[C@@H](O)C1CCCCC1 17484 [0,1,0,1,0,0|0,0,1]=3 292 B10R1.15 N#C[C@H](O)C1CCCCC1 17482 [0,1,0,1,0,0|0,0,1]=3 293 B10R1.23 C[C@H](O)C(=O)N1CCCC1 32044 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21565 [0,1,0,1,0,0|1,0,1]=4 295 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21587 [0,1,0,1,0,0|1,0,1]=4 296 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 21566 [0,1,0,1,0,0|1,0,1]=4 297 B10R1.363 CC(C)C1(O)CCCCC1 20241 [0,1,0,1,0,0|1,0,0]=3 298 B10R1.363 NC1(C(=O)O)CCCCC1 13882 [0,1,0,1,0,0|1,0,1]=4 299 B10R1.138 CCCC(=O)OC[C@@H]1CO1 5837 [0,1,0,1,0,0|1,0,1]=4 300 B10R1.138 CCCC(=O)OC[C@H]1CO1 5834 [0,1,0,1,0,0|1,0,1]=4 301 B10R1.140 CCOC(=O)C1CC(O)C1 27136 [0,1,0,1,0,0|1,0,1]=4 302 B10R2.62 NC1CN2CCC1CC2 14497 [0,0,0,2,0,0|2,0,0]=4 303 B10R2.62 N[C@@H]1CN2CCC1CC2 9967 [0,0,0,2,0,0|2,0,0]=4 304 B10R2.62 N[C@H]1CN2CCC1CC2 11447 [0,0,0,2,0,0|2,0,0]=4 305 B10R2.62 OC1CN2CCC1CC2 16514 [0,0,0,2,0,0|1,0,0]=3 306 B10R2.62 OC1CN2CCC1CC2 16516 [0,0,0,2,0,0|1,0,0]=3 307 B10R2.62 O[C@H]1CN2CCC1CC2 20235 [0,0,0,2,0,0|1,0,0]=3 308 B10R2.99 OCC1CC2CCC1C2 21645 [0,0,0,2,0,0|2,0,0]=4 309 B10R2.109 C=CC1CCC2OC2C1 21968 [0,0,0,2,0,0|0,0,2]=4 310 B10R2.408 B1C2CCCC1CCC2 18188 [0,0,0,2,0,0|1,0,0]=3 311 B10R2.2 NN1CC2CCCC2C1 20719 [0,0,0,2,0,0|2,0,0]=4 312 B10R2.2 NN1CC2CCCC2C1 36121 [0,0,0,2,0,0|2,0,0]=4