0 B12R0.239 CCCCC[C@H](C)OC(=O)CCC D93438 [0,0,0,0,0,0|3,0,0]=3 1 B11R0.4 C=COC(=O)CCCCCCC D84790 [1,0,0,0,0,0|0,0,2]=3 2 B11R0.4 CC=CC(=O)OCCCCCC D95666 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.4 CCCCCCOC(=O)COC D81462 [1,0,0,0,0,0|3,0,0]=4 4 B11R0.4 CCOC(=O)CCCCCCBr F11933 [1,0,0,0,0,0|1,0,0]=2 5 B11R0.4 CCOC(=O)CCCCCCN 34353 [1,0,0,0,0,0|1,0,0]=2 6 B11R0.5 CCCCC(=O)CC(=O)OCC F16750 [1,0,0,0,0,0|0,0,2]=3 7 B11R0.140 CCCCCC(N)CCCCC T72322 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.140 CCCCCC(O)CCCCC T72127 [1,0,0,0,0,0|1,0,1]=3 9 B13R0.89 CCOC(=O)CC(O)CC(=O)OCC H10819 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 30365 [0,0,0,1,0,0|0,0,2]=3 11 B13R1.33 CCOC(=O)CC(=O)[C@@H]1CCCO1 29451 [0,0,0,1,0,0|1,0,2]=4 12 B13R1.463 CCOC(=O)[C@@H]1CCCCCC1=O FD9024 [0,0,0,1,0,0|0,0,2]=3 13 B13R1.463 CCOC(=O)[C@@H]1CCNCCC1=O W10048 [0,0,0,1,0,0|1,0,2]=4 14 B13R1.1575 CCOC(=O)C=C1CCCCCC1 20663 [0,0,0,1,0,0|1,0,2]=4 15 B13R1.2570 CCOC(=O)CC1(O)CCCCC1 25201 [0,0,0,1,0,0|0,0,0]=1 16 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 AB1425 [0,0,0,1,0,0|0,0,2]=3 17 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 73269 [0,0,0,0,1,0|2,0,0]=3 18 B10R0.1 CCOC(=O)CCCCC=O N10652 [2,0,0,0,0,0|1,0,1]=4 19 B10R0.1 CCOC(=O)CCCCCBr 73728 [2,0,0,0,0,0|1,0,0]=3 20 B10R0.1 CCOC(=O)CCCCCN V10012 [2,0,0,0,0,0|1,0,0]=3 21 B10R0.1 CCOC(=O)CCCCCO A11137 [2,0,0,0,0,0|1,0,0]=3 22 B10R0.1 CCOC(=O)COCCCCl AC8364 [2,0,0,0,0,0|2,0,0]=4 23 B10R0.74 CCCCCC#CC(=O)OC D70492 [2,0,0,0,0,0|0,0,2]=4 24 B10R0.74 CCCCCCCC(=O)NN 23135 [2,0,0,0,0,0|2,0,0]=4 25 B10R0.74 CCCCCCCC(=O)NO 35665 [2,0,0,0,0,0|2,0,0]=4 26 B10R0.74 CCCCCCCC(=O)NO D89270 [2,0,0,0,0,0|2,0,0]=4 27 B10R0.74 COC(=O)CCCCCCBr F11980 [2,0,0,0,0,0|1,0,0]=3 28 B10R0.74 COC(=O)CCCCCCN 67874 [2,0,0,0,0,0|1,0,0]=3 29 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [2,0,0,0,0,0|0,0,0]=2 30 B10R0.2 CCOC(=O)C[C@@H](O)CCN 56047 [2,0,0,0,0,0|1,0,0]=3 31 B10R0.2 CCOC(=O)C[C@H](O)CC#N 28252 [2,0,0,0,0,0|1,0,1]=4 32 B10R0.2 CCOC(=O)C[C@H](O)CC#N 60923 [2,0,0,0,0,0|1,0,1]=4 33 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [2,0,0,0,0,0|0,0,2]=4 34 B12R0.1 CCCCCCCCC(=O)OCC D70268 [1,1,0,0,0,0|0,0,0]=2 35 B12R0.1 CCOC(=O)CCCCCCCBr 36210 [1,1,0,0,0,0|0,0,0]=2 36 B12R0.4 CCCCCCCC(=O)CC(C)C H10895 [1,1,0,0,0,0|1,0,0]=3 37 B12R0.114 CCCCCC[C@H](Br)C(=O)OCC D70580 [1,1,0,0,0,0|0,0,0]=2 38 B12R0.114 CCOC(=O)C(=O)CCCCCCl AC2328 [1,1,0,0,0,0|1,0,1]=4 39 B12R0.206 CCCCCCCC(=O)OCCC D92187 [1,1,0,0,0,0|0,0,0]=2 40 B12R0.277 CCOC(=O)CCCCCC(=O)O H11366 [1,1,0,0,0,0|1,0,1]=4 41 B12R0.285 CCOC(=O)CCCC(=O)OCC AC7843 [1,1,0,0,0,0|1,0,1]=4 42 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC D81853 [1,1,0,0,0,0|1,0,1]=4 43 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC H11051 [1,1,0,0,0,0|1,0,1]=4 44 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 20701 [1,1,0,0,0,0|0,0,2]=4 45 B12R0.658 CCOC(=O)C(C)(C)CCCCBr C16379 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [1,0,0,1,0,0|2,0,0]=4 47 B12R1.32 CCCC(=O)OC1CCCCC1 D88681 [1,0,0,1,0,0|2,0,0]=4 48 B12R1.32 CCOC(=O)CC1CCNCC1 60917 [1,0,0,1,0,0|1,0,0]=3 49 B12R1.32 CCOC(=O)CC1CCNCC1 69550 [1,0,0,1,0,0|1,0,0]=3 50 B12R1.32 CCOC(=O)CC1CCOCC1 50745 [1,0,0,1,0,0|1,0,0]=3 51 B12R1.32 CCOC(=O)CN1CCCCC1 AC2282 [1,0,0,1,0,0|1,0,0]=3 52 B12R1.32 CCOC(=O)CN1CCNCC1 60925 [1,0,0,1,0,0|2,0,0]=4 53 B12R1.32 CCOC(=O)CN1CCOCC1 30940 [1,0,0,1,0,0|2,0,0]=4 54 B12R1.32 CCOC(=O)C[C@H]1CCCCN1 30366 [1,0,0,1,0,0|1,0,0]=3 55 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 37951 [1,0,0,1,0,0|1,0,0]=3 56 B12R1.37 CCCCCCCC1OCCO1 D95406 [1,0,0,1,0,0|0,0,2]=4 57 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O 83355 [1,0,0,1,0,0|1,0,1]=4 58 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C 39381 [1,0,0,1,0,0|1,0,0]=3 59 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O 29472 [1,0,0,1,0,0|1,0,1]=4 60 B12R1.372 CCCCCCN1CCCC1=O 68655 [1,0,0,1,0,0|2,0,0]=4 61 B12R1.519 CCOC(=O)CC(=O)C1CCC1 29445 [1,0,0,1,0,0|0,0,2]=4 62 B12R1.50 COC(=O)CC1CCCC(O)C1 32694 [1,0,0,1,0,0|2,0,0]=4 63 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O 63241 [1,0,0,1,0,0|0,0,2]=4 64 B12R1.3524 COC(=O)CC1(N)CCCCC1 63919 [1,0,0,1,0,0|1,0,0]=3 65 B12R1.17 CCOC(=O)C1CCCC(O)C1 60740 [0,0,0,1,1,0|2,0,0]=4 66 B12R1.17 CCOC(=O)[C@@H]1C[C@@H](C)CCN1 A12820 [0,0,0,1,1,0|2,0,0]=4 67 B12R1.17 CCOC(=O)[C@H]1CCCN(C)C1 39382 [0,0,0,1,1,0|2,0,0]=4 68 B12R1.555 CCOC(=O)[C@@H](N)CC1CCC1 83031 [0,0,0,1,1,0|1,0,0]=3 69 B12R1.1595 CC1(C(=O)OCCl)CCCCC1 D93670 [0,0,0,1,1,0|2,0,0]=4 70 B12R1.1595 CCOC(=O)C1(C)CCNCC1 23717 [0,0,0,1,1,0|2,0,0]=4 71 B12R1.1595 CCOC(=O)C1(N)CCCCC1 20769 [0,0,0,1,1,0|1,0,0]=3 72 B12R1.1595 CCOC(=O)C1(N)CCCCC1 20916 [0,0,0,1,1,0|1,0,0]=3 73 B12R1.1595 CCOC(=O)C1(N)CCSCC1 P15483 [0,0,0,1,1,0|2,0,0]=4 74 B12R1.1595 CCOC(=O)C1(O)CCCCC1 D70683 [0,0,0,1,1,0|0,0,0]=2 75 B12R1.1595 CCOC(=O)[C@@]1(C)CCCNC1 61514 [0,0,0,1,1,0|2,0,0]=4 76 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 AB7174 [0,1,0,1,0,0|0,0,2]=4 77 B10R0.19 CCCCC(=O)C(=O)OCC 35739 [1,0,0,0,1,0|0,0,2]=4 78 B10R0.19 CCCC[C@H](Br)C(=O)OCC D95689 [1,0,0,0,1,0|1,0,0]=3 79 B10R0.19 CCOC(=O)[C@@H](N)CCCN D76151 [1,0,0,0,1,0|2,0,0]=4 80 B10R0.19 CCOC(=O)[C@@H](N)CCSC 39404 [1,0,0,0,1,0|2,0,0]=4 81 B10R0.19 CCOC(=O)[C@@H](N)CCSC F10970 [1,0,0,0,1,0|2,0,0]=4 82 B10R0.83 COC(=O)[C@@H](N)CCCCN F10815 [1,0,0,0,1,0|2,0,0]=4 83 B10R0.83 COC(=O)[C@@H](N)CCCCN F10989 [1,0,0,0,1,0|2,0,0]=4