0 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,0,0,0|3,0,0]=4 1 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.819 CCNC(=O)C1(CCCC1)C WXVL_AK00476SB0209 [0,0,0,0,1,0|3,0,0]=4 3 B11R1.819 CCNC(=O)C1(CCCC1)C WXVL_AK00476SB0209 [0,0,0,0,1,0|3,0,0]=4 4 B11R1.819 CCNC(=O)[C@]1(CCCN1)C WXVL_AK00476SB00033 [0,0,0,0,1,0|3,0,0]=4 5 B11R1.819 CCNC(=O)[C@]1(CCCN1)C WXVL_AK00476SB00033 [0,0,0,0,1,0|3,0,0]=4 6 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,0,1,0|3,0,0]=4 7 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,0,1,0|3,0,0]=4 8 B13R1.1483 C#CCC(=O)NCC1(OCCO1)C WXVL_AK1675SB3070 [0,0,0,0,0,1|1,0,2]=4 9 B13R1.1483 C#CCC(=O)NCC1(OCCO1)C WXVL_AK1675SB3070 [0,0,0,0,0,1|1,0,2]=4 10 B13R1.1483 C/C=C/C(=O)NCC1(OCCO1)C WXVL_AK1675SB0340 [0,0,0,0,0,1|1,0,1]=3 11 B13R1.1483 C/C=C/C(=O)NCC1(OCCO1)C WXVL_AK1675SB0340 [0,0,0,0,0,1|1,0,1]=3 12 B13R1.1483 C=CCC(=O)NCC1(OCCO1)C WXVL_AK1675SB2732 [0,0,0,0,0,1|1,0,2]=4 13 B13R1.1483 C=CCC(=O)NCC1(OCCO1)C WXVL_AK1675SB2732 [0,0,0,0,0,1|1,0,2]=4 14 B13R1.1483 CC#CC(=O)NCC1(OCCO1)C WXVL_AK1675SB1240 [0,0,0,0,0,1|1,0,1]=3 15 B13R1.1483 CC#CC(=O)NCC1(OCCO1)C WXVL_AK1675SB1240 [0,0,0,0,0,1|1,0,1]=3 16 B13R1.1483 CC1(OCCO1)CNC(=O)CC#N WXVL_AK1675SB0057 [0,0,0,0,0,1|2,0,1]=4 17 B13R1.1483 CC1(OCCO1)CNC(=O)CC#N WXVL_AK1675SB0057 [0,0,0,0,0,1|2,0,1]=4 18 B13R1.1483 CCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0073 [0,0,0,0,0,1|3,0,0]=4 19 B13R1.1483 CCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0073 [0,0,0,0,0,1|3,0,0]=4 20 B13R1.1483 CCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0073 [0,0,0,0,0,1|1,0,0]=2 21 B13R1.1483 CCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0073 [0,0,0,0,0,1|1,0,0]=2 22 B13R1.1483 COCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0090 [0,0,0,0,0,1|2,0,0]=3 23 B13R1.1483 COCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0090 [0,0,0,0,0,1|2,0,0]=3 24 B13R1.1483 CSCC(=O)NCC1(OCCO1)C WXVL_AK1675SB1267 [0,0,0,0,0,1|2,0,0]=3 25 B13R1.1483 CSCC(=O)NCC1(OCCO1)C WXVL_AK1675SB1267 [0,0,0,0,0,1|2,0,0]=3 26 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,1,0,0,0|2,0,0]=4 27 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,1,0,0,0|2,0,0]=4 28 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [1,0,1,0,0,0|2,0,0]=4 29 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.1677 CCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0064 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.1677 CCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0064 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.2053 CCNC(=O)CC1(CCC1)OC WXVL_AK00476SB0032 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.2053 CCNC(=O)CC1(CCC1)OC WXVL_AK00476SB0032 [0,1,0,0,1,0|2,0,0]=4 34 B14R1.2492 C#CCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB2189 [0,1,0,0,0,1|1,0,1]=4 35 B14R1.2492 C#CCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB2189 [0,1,0,0,0,1|1,0,1]=4 36 B14R1.2492 C=CCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB1035 [0,1,0,0,0,1|1,0,1]=4 37 B14R1.2492 C=CCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB1035 [0,1,0,0,0,1|1,0,1]=4 38 B14R1.2492 CC1(OCCO1)CNC(=O)/C=C/CBr WXVL_AK1675SB0424 [0,1,0,0,0,1|1,0,1]=4 39 B14R1.2492 CC1(OCCO1)CNC(=O)/C=C/CBr WXVL_AK1675SB0424 [0,1,0,0,0,1|1,0,1]=4 40 B14R1.2492 CC1(OCCO1)CNC(=O)NCCCl WXVL_AK1675YV0092 [0,1,0,0,0,1|1,0,0]=3 41 B14R1.2492 CC1(OCCO1)CNC(=O)NCCCl WXVL_AK1675YV0092 [0,1,0,0,0,1|1,0,0]=3 42 B14R1.2492 CCOCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0091 [0,1,0,0,0,1|2,0,0]=4 43 B14R1.2492 CCOCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0091 [0,1,0,0,0,1|2,0,0]=4 44 B14R1.2492 CCOCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0091 [0,1,0,0,0,1|0,0,0]=2 45 B14R1.2492 CCOCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0091 [0,1,0,0,0,1|0,0,0]=2 46 B14R1.2492 CCSCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0002 [0,1,0,0,0,1|0,1,0]=3 47 B14R1.2492 CCSCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0002 [0,1,0,0,0,1|0,1,0]=3 48 B14R1.2492 COCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0156 [0,1,0,0,0,1|1,0,0]=3 49 B14R1.2492 COCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0156 [0,1,0,0,0,1|1,0,0]=3 50 B14R1.2492 CSCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0361 [0,1,0,0,0,1|1,0,0]=3 51 B14R1.2492 CSCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0361 [0,1,0,0,0,1|1,0,0]=3 52 B14R1.2787 C/C=C(\C)/C(=O)NCC1(OCCO1)C WXVL_AK1675SB0343 [0,1,0,0,0,1|1,0,1]=4 53 B14R1.2787 C/C=C(\C)/C(=O)NCC1(OCCO1)C WXVL_AK1675SB0343 [0,1,0,0,0,1|1,0,1]=4 54 B14R1.2787 CCC(=O)C(=O)NCC1(OCCO1)C WXVL_AK1675SB0344 [0,1,0,0,0,1|1,0,0]=3 55 B14R1.2787 CCC(=O)C(=O)NCC1(OCCO1)C WXVL_AK1675SB0344 [0,1,0,0,0,1|1,0,0]=3 56 B14R1.2787 CCC(C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB0054 [0,1,0,0,0,1|1,0,0]=3 57 B14R1.2787 CCC(C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB0054 [0,1,0,0,0,1|1,0,0]=3 58 B14R1.2787 CC[C@@H](C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB00054 [0,1,0,0,0,1|1,0,0]=3 59 B14R1.2787 CC[C@@H](C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB00054 [0,1,0,0,0,1|1,0,0]=3 60 B14R1.2787 CC[C@H](O)C(=O)NCC1(OCCO1)C WXVL_AK1675SB3573 [0,1,0,0,0,1|1,0,0]=3 61 B14R1.2787 CC[C@H](O)C(=O)NCC1(OCCO1)C WXVL_AK1675SB3573 [0,1,0,0,0,1|1,0,0]=3 62 B14R1.2787 CO[C@H](C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB2926 [0,1,0,0,0,1|2,0,0]=4 63 B14R1.2787 CO[C@H](C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB2926 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.9885 CCCS(=O)(=O)NCC1(OCCO1)C WXVL_AK1675HU0030 [0,1,0,0,0,1|2,0,0]=4 65 B14R1.9885 CCCS(=O)(=O)NCC1(OCCO1)C WXVL_AK1675HU0030 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)C WXVL_AK1675SB0342 [0,1,0,0,0,1|1,0,1]=4 67 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)C WXVL_AK1675SB0342 [0,1,0,0,0,1|1,0,1]=4 68 B14R1.13051 CC(C)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB0063 [0,1,0,0,0,1|1,0,0]=3 69 B14R1.13051 CC(C)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB0063 [0,1,0,0,0,1|1,0,0]=3 70 B14R1.13051 CC(O)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB3643 [0,1,0,0,0,1|1,0,0]=3 71 B14R1.13051 CC(O)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB3643 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.13051 CN(C)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB0085 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.13051 CN(C)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB0085 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,0,1,1,0,0|2,0,0]=4 75 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,0,1,1,0,0|2,0,0]=4 76 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,0,1,1,0,0|1,0,0]=3 77 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,0,1,1,0,0|1,0,0]=3 78 B14R2.63057 CC1(OCCO1)CNC(=O)C2CC2 WXVL_AK1675SB0038 [0,0,0,1,0,1|1,0,0]=3 79 B14R2.63057 CC1(OCCO1)CNC(=O)C2CC2 WXVL_AK1675SB0038 [0,0,0,1,0,1|1,0,0]=3 80 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,0,1,0|2,0,0]=4 81 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,0,1,0|2,0,0]=4 82 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,0,1,0|2,0,0]=4 84 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,0,1,0|2,0,0]=4 85 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,0,2,0|2,0,0]=4 87 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,0,2,0|2,0,0]=4 88 B10R1.181 CCCC(=O)NC1(CC1)C WXVL_AK0263SB0073 [0,0,0,0,2,0|2,0,0]=4 89 B10R1.181 CCCC(=O)NC1(CC1)C WXVL_AK0263SB0073 [0,0,0,0,2,0|2,0,0]=4 90 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [1,0,0,0,0,1|2,0,0]=4 91 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [1,0,0,0,0,1|2,0,0]=4 92 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,0,0,0,1,1|2,0,0]=4 93 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,0,0,0,1,1|2,0,0]=4 94 B14R1.2617 C/C=C/C(=O)NCCC1(OCCO1)C WXVL_AK1439SB0340 [0,0,0,0,0,2|1,0,1]=4 95 B14R1.2617 C/C=C/C(=O)NCCC1(OCCO1)C WXVL_AK1439SB0340 [0,0,0,0,0,2|1,0,1]=4 96 B14R1.2617 CC#CC(=O)NCCC1(OCCO1)C WXVL_AK1439SB1240 [0,0,0,0,0,2|1,0,1]=4 97 B14R1.2617 CC#CC(=O)NCCC1(OCCO1)C WXVL_AK1439SB1240 [0,0,0,0,0,2|1,0,1]=4 98 B14R1.2617 CCCC(=O)NCCC1(OCCO1)C WXVL_AK1439SB0073 [0,0,0,0,0,2|1,0,0]=3 99 B14R1.2617 CCCC(=O)NCCC1(OCCO1)C WXVL_AK1439SB0073 [0,0,0,0,0,2|1,0,0]=3 100 B14R1.2617 COCC(=O)NCCC1(OCCO1)C WXVL_AK1439SB0090 [0,0,0,0,0,2|2,0,0]=4 101 B14R1.2617 COCC(=O)NCCC1(OCCO1)C WXVL_AK1439SB0090 [0,0,0,0,0,2|2,0,0]=4 102 B14R1.2617 CSCC(=O)NCCC1(OCCO1)C WXVL_AK1439SB1267 [0,0,0,0,0,2|2,0,0]=4 103 B14R1.2617 CSCC(=O)NCCC1(OCCO1)C WXVL_AK1439SB1267 [0,0,0,0,0,2|2,0,0]=4