0 B10R0.91 CCCCNC(=O)OCCO D93331 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.5 CCCCC[C@H](O)CCO A10789 [1,0,0,0,0,0|1,0,2]=4 2 B9R0.5 CCOC(=O)CCCC#N 84960 [1,0,0,0,0,0|1,0,1]=3 3 B9R0.5 CCOC(=O)CCCC=O N10598 [1,0,0,0,0,0|1,0,1]=3 4 B9R0.5 CCOC(=O)CCCCN 23836 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.5 CCOC(=O)\C=C\CCO W16297 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.18 CCCOC(C)OCCC D93053 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.45 CCCCOCCCCO S11917 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.45 CCCOCCOCCO D97202 [1,0,0,0,0,0|2,0,1]=4 10 B11R0.140 CCCCOC(=O)OCCCC C75547 [0,1,0,0,0,0|1,0,0]=2 11 B11R0.155 CCCCCC(=O)C(=O)OCC Y11380 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.28 CCCCO[C@@H]1CCCCO1 D80647 [0,0,0,1,0,0|2,0,1]=4 13 B8R0.1 CCCC(=O)OCCO D81566 [2,0,0,0,0,0|1,0,0]=3 14 B8R0.1 CCOC(=O)CCC#N 82565 [2,0,0,0,0,0|1,0,1]=4 15 B8R0.1 CCOC(=O)CCC=O AB9300 [2,0,0,0,0,0|1,0,1]=4 16 B8R0.1 CCOC(=O)CCCO C91677 [2,0,0,0,0,0|1,0,0]=3 17 B8R0.6 CCCCCC(=O)CBr C73149 [2,0,0,0,0,0|1,0,0]=3 18 B8R0.6 COC(=O)COCCO D84694 [2,0,0,0,0,0|2,0,0]=4 19 B10R0.1 CCCC(=O)OCCCSC 73858 [1,1,0,0,0,0|1,0,0]=3 20 B10R0.1 CCCCNCC(=O)OCC AB3730 [1,1,0,0,0,0|0,0,0]=2 21 B10R0.1 CCOC(=O)CNCCC#N AB7171 [1,1,0,0,0,0|1,0,1]=4 22 B10R0.1 CCOC(=O)CNCCC#N Y10514 [1,1,0,0,0,0|1,0,1]=4 23 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [1,1,0,0,0,0|0,0,2]=4 24 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [1,1,0,0,0,0|0,0,1]=3 25 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] Y14690 [1,1,0,0,0,0|2,0,0]=4 26 B10R0.19 C=CCC[C@H](N)C(=O)OCC W17088 [1,1,0,0,0,0|0,0,2]=4 27 B10R0.24 CCCCC[C@@H](CO)CCC 77487 [1,1,0,0,0,0|0,0,2]=4 28 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [1,1,0,0,0,0|0,0,0]=2 29 B10R0.108 CCCC(=O)OC[C@@H](O)CO A10828 [1,1,0,0,0,0|2,0,0]=4 30 B10R0.108 CCOC(=O)CCC(=O)CBr 79134 [1,1,0,0,0,0|1,0,1]=4 31 B12R0.648 NCCCC[C@H](N)C(=O)OCCN D93080 [0,2,0,0,0,0|1,0,0]=3 32 B12R0.111 CCCCC\C=C(/C=O)CCCC C72202 [0,2,0,0,0,0|1,0,0]=3 33 B12R0.233 CCCCCC(=O)CCCC(=O)O Y13481 [0,2,0,0,0,0|1,0,1]=4 34 B10R1.11 CCOC(=O)C1=CCCC1 71128 [1,0,0,1,0,0|0,0,2]=4 35 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [1,0,0,1,0,0|1,0,0]=3 36 B10R1.11 N#CCC(=O)C1CCCC1 84149 [1,0,0,1,0,0|1,0,1]=4 37 B10R1.78 O=C1CCCCCCCC1 AC8766 [1,0,0,1,0,0|0,0,0]=2 38 B10R1.78 O=C1CCCCCCCN1 D74918 [1,0,0,1,0,0|1,0,0]=3 39 B10R1.135 CCOC(=O)C1CC1C#N A12647 [1,0,0,1,0,0|1,0,1]=4 40 B10R1.135 CCOC(=O)C1CC1CO F13437 [1,0,0,1,0,0|1,0,0]=3 41 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N P16190 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C#N P16387 [1,0,0,1,0,0|1,0,1]=4 43 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [1,0,0,1,0,0|1,0,0]=3 44 B10R1.137 CCOC(=O)CC1CNC1 D80644 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.137 CCOC(=O)CC1COC1 82536 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [1,0,0,1,0,0|0,0,2]=4 47 B10R1.16 CCCCC1OCC(C)O1 D93006 [1,0,0,1,0,0|0,0,2]=4 48 B12R1.141 O=C1CCCCCCCC(=O)O1 F16497 [0,1,0,1,0,0|0,0,1]=3 49 B12R1.18 N#CCCN1CCCCCC1=O F14125 [0,1,0,1,0,0|1,0,1]=4 50 B12R1.1007 O=C1CCCCC(=O)OCCO1 S11858 [0,1,0,1,0,0|1,0,1]=4 51 B12R2.7 O=C1CCCCC12CCCC2 D86916 [0,0,0,2,0,0|1,0,0]=3 52 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 68528 [0,0,0,2,0,0|2,0,0]=4 53 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 87615 [0,0,0,2,0,0|2,0,0]=4 54 B12R2.4370 C1CCC2(CC1)OCCCO2 D93393 [0,0,0,2,0,0|0,0,2]=4 55 B12R2.2074 O=C(NC1CC1)[C@@H]2CCCN2 F21133 [0,0,0,2,0,0|2,0,0]=4 56 B12R2.3937 O=C1CC[C@]2(CO)CCCN12 D96561 [0,0,0,2,0,0|2,0,0]=4