0 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,0,0,0,0,0|1,0,2]=3 1 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,0,0,0,0,0|1,0,2]=3 2 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,0,0,0,0,0|2,0,2]=4 3 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,0,0,0,0,0|2,0,2]=4 4 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,0,0,0,0,0|2,0,2]=4 6 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [1,0,0,0,0,0|1,0,1]=3 7 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [1,0,0,0,0,0|1,0,1]=3 8 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [1,0,0,0,0,0|2,0,1]=4 9 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [1,0,0,0,0,0|2,0,1]=4 10 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [1,0,0,0,0,0|2,0,1]=4 11 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [1,0,0,0,0,0|2,0,1]=4 12 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,0,0,0,0,0|1,0,2]=4 13 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,0,0,0,0,0|1,0,2]=4 14 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,0,0,0,0,0|1,0,2]=4 15 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,0,0,0,0,0|1,0,2]=4 16 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [0,1,0,0,0,0|1,0,2]=4 17 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [0,1,0,0,0,0|1,0,2]=4 18 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,1,0,0,0,0|1,0,2]=4 19 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,1,0,0,0,0|1,0,2]=4 20 B14R0.199 CCCCCNC(=O)/C=C/C(=O)OCC WXVL_AK0076SB0061 [0,1,0,0,0,0|1,0,2]=4 21 B14R0.199 CCCCCNC(=O)/C=C/C(=O)OCC WXVL_AK0076SB0061 [0,1,0,0,0,0|1,0,2]=4 22 B14R0.199 CCCCCNC(=O)NCC(=O)OCC WXVL_AK0076YV0151 [0,1,0,0,0,0|2,0,0]=3 23 B14R0.199 CCCCCNC(=O)NCC(=O)OCC WXVL_AK0076YV0151 [0,1,0,0,0,0|2,0,0]=3 24 B14R0.199 CCOC(=O)CNC(=O)NCCCCO WXVL_AK0075YV0151 [0,1,0,0,0,0|3,0,0]=4 25 B14R0.199 CCOC(=O)CNC(=O)NCCCCO WXVL_AK0075YV0151 [0,1,0,0,0,0|3,0,0]=4 26 B14R0.199 CCOC(=O)CNC(=O)NCCCOC WXVL_AK00637YV0151 [0,1,0,0,0,0|3,0,0]=4 27 B14R0.199 CCOC(=O)CNC(=O)NCCCOC WXVL_AK00637YV0151 [0,1,0,0,0,0|3,0,0]=4 28 B14R0.199 CCOC(=O)CNC(=O)NCCCSC WXVL_AK0965YV0151 [0,1,0,0,0,0|3,0,0]=4 29 B14R0.199 CCOC(=O)CNC(=O)NCCCSC WXVL_AK0965YV0151 [0,1,0,0,0,0|3,0,0]=4 30 B14R0.199 CCOC(=O)CNC(=O)NCCSCC WXVL_AK00494YV0151 [0,1,0,0,0,0|3,0,0]=4 31 B14R0.199 CCOC(=O)CNC(=O)NCCSCC WXVL_AK00494YV0151 [0,1,0,0,0,0|3,0,0]=4 32 B14R0.391 CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0447 [0,1,0,0,0,0|1,0,2]=4 33 B14R0.391 CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0447 [0,1,0,0,0,0|1,0,2]=4 34 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,1,0,0,0,0|1,0,2]=4 35 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,1,0,0,0,0|1,0,2]=4 36 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,1,0,0,0,0|1,0,2]=4 37 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,1,0,0,0,0|1,0,2]=4 38 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [0,1,0,0,0,0|1,0,2]=4 39 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [0,1,0,0,0,0|1,0,2]=4 40 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [0,1,0,0,0,0|1,0,2]=4 41 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [0,1,0,0,0,0|1,0,2]=4 42 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [0,1,0,0,0,0|1,0,2]=4 43 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [0,1,0,0,0,0|1,0,2]=4 44 B14R0.2432 C#CCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB2709 [0,1,0,0,0,0|1,0,2]=4 45 B14R0.2432 C#CCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB2709 [0,1,0,0,0,0|1,0,2]=4 46 B14R0.2432 C=CCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB2920 [0,1,0,0,0,0|1,0,2]=4 47 B14R0.2432 C=CCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB2920 [0,1,0,0,0,0|1,0,2]=4 48 B14R0.2432 CC/C=C/CC(=O)NCCC(=O)OCC WXVL_AK0465SB0349 [0,1,0,0,0,0|1,0,2]=4 49 B14R0.2432 CC/C=C/CC(=O)NCCC(=O)OCC WXVL_AK0465SB0349 [0,1,0,0,0,0|1,0,2]=4 50 B14R0.2432 CCOC(=O)CCNC(=O)CCCCBr WXVL_AK0465SB3153 [0,1,0,0,0,0|2,0,0]=3 51 B14R0.2432 CCOC(=O)CCNC(=O)CCCCBr WXVL_AK0465SB3153 [0,1,0,0,0,0|2,0,0]=3 52 B14R0.2432 CCOC(=O)CCNC(=O)CCCCCl WXVL_AK0465SB0379 [0,1,0,0,0,0|2,0,0]=3 53 B14R0.2432 CCOC(=O)CCNC(=O)CCCCCl WXVL_AK0465SB0379 [0,1,0,0,0,0|2,0,0]=3 54 B14R0.2432 CCOC(=O)CCNC(=O)NCCCCl WXVL_AK0465YV0130 [0,1,0,0,0,0|3,0,0]=4 55 B14R0.2432 CCOC(=O)CCNC(=O)NCCCCl WXVL_AK0465YV0130 [0,1,0,0,0,0|3,0,0]=4 56 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [2,0,0,0,0,0|1,0,0]=3 57 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [2,0,0,0,0,0|1,0,0]=3 58 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [2,0,0,0,0,0|1,0,0]=3 59 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [2,0,0,0,0,0|1,0,0]=3 60 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [2,0,0,0,0,0|2,0,0]=4 61 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [2,0,0,0,0,0|2,0,0]=4 62 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [2,0,0,0,0,0|2,0,0]=4 63 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [2,0,0,0,0,0|2,0,0]=4 64 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [2,0,0,0,0,0|1,0,1]=4 65 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [2,0,0,0,0,0|1,0,1]=4 66 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [1,1,0,0,0,0|1,0,1]=4 67 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [1,1,0,0,0,0|1,0,1]=4 68 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [1,1,0,0,0,0|1,0,1]=4 69 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [1,1,0,0,0,0|1,0,1]=4 70 B13R0.175 CCOC(=O)CCNC(=O)CCOC WXVL_AK0465SB0156 [1,1,0,0,0,0|2,0,0]=4 71 B13R0.175 CCOC(=O)CCNC(=O)CCOC WXVL_AK0465SB0156 [1,1,0,0,0,0|2,0,0]=4 72 B13R0.175 CCOC(=O)CCNC(=O)CCSC WXVL_AK0465SB0361 [1,1,0,0,0,0|2,0,0]=4 73 B13R0.175 CCOC(=O)CCNC(=O)CCSC WXVL_AK0465SB0361 [1,1,0,0,0,0|2,0,0]=4 74 B13R0.175 CCOC(=O)CCNC(=O)CSCC WXVL_AK0465SB0002 [1,1,0,0,0,0|2,0,0]=4 75 B13R0.175 CCOC(=O)CCNC(=O)CSCC WXVL_AK0465SB0002 [1,1,0,0,0,0|2,0,0]=4 76 B13R0.175 CCOCC(=O)NCCC(=O)OCC WXVL_AK0465SB0091 [1,1,0,0,0,0|2,0,0]=4 77 B13R0.175 CCOCC(=O)NCCC(=O)OCC WXVL_AK0465SB0091 [1,1,0,0,0,0|2,0,0]=4 78 B13R0.193 CCCCNC(=O)/C=C/C(=O)OCC WXVL_AK00588SB0061 [1,1,0,0,0,0|1,0,1]=4 79 B13R0.193 CCCCNC(=O)/C=C/C(=O)OCC WXVL_AK00588SB0061 [1,1,0,0,0,0|1,0,1]=4 80 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [1,1,0,0,0,0|2,0,0]=4 81 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [1,1,0,0,0,0|2,0,0]=4 82 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [1,1,0,0,0,0|1,0,0]=3 83 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [1,1,0,0,0,0|1,0,0]=3 84 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [1,1,0,0,0,0|2,0,0]=4 85 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [1,1,0,0,0,0|2,0,0]=4 86 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [1,1,0,0,0,0|2,0,0]=4 87 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [1,1,0,0,0,0|2,0,0]=4 88 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [1,1,0,0,0,0|2,0,0]=4 89 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [1,1,0,0,0,0|2,0,0]=4 90 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [1,1,0,0,0,0|2,0,0]=4 91 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [1,1,0,0,0,0|2,0,0]=4 92 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [1,1,0,0,0,0|1,0,1]=4 93 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [1,1,0,0,0,0|1,0,1]=4 94 B13R0.1170 CCCCCNC(=O)CCC(=O)OC WXVL_AK0076SB0069 [1,1,0,0,0,0|1,0,0]=3 95 B13R0.1170 CCCCCNC(=O)CCC(=O)OC WXVL_AK0076SB0069 [1,1,0,0,0,0|1,0,0]=3 96 B13R0.1170 CCSCCNC(=O)CCC(=O)OC WXVL_AK00494SB0069 [1,1,0,0,0,0|2,0,0]=4 97 B13R0.1170 CCSCCNC(=O)CCC(=O)OC WXVL_AK00494SB0069 [1,1,0,0,0,0|2,0,0]=4 98 B13R0.1170 COC(=O)CCC(=O)NCCCCO WXVL_AK0075SB0069 [1,1,0,0,0,0|2,0,0]=4 99 B13R0.1170 COC(=O)CCC(=O)NCCCCO WXVL_AK0075SB0069 [1,1,0,0,0,0|2,0,0]=4 100 B13R0.1170 COC(=O)CCC(=O)NCCCSC WXVL_AK0965SB0069 [1,1,0,0,0,0|2,0,0]=4 101 B13R0.1170 COC(=O)CCC(=O)NCCCSC WXVL_AK0965SB0069 [1,1,0,0,0,0|2,0,0]=4 102 B13R0.1170 COCCCNC(=O)CCC(=O)OC WXVL_AK00637SB0069 [1,1,0,0,0,0|2,0,0]=4 103 B13R0.1170 COCCCNC(=O)CCC(=O)OC WXVL_AK00637SB0069 [1,1,0,0,0,0|2,0,0]=4 104 B15R0.60 CCCCC(O)C(=O)NCCC(=O)OCC WXVL_AK0465SB3429 [0,2,0,0,0,0|1,0,0]=3 105 B15R0.60 CCCCC(O)C(=O)NCCC(=O)OCC WXVL_AK0465SB3429 [0,2,0,0,0,0|1,0,0]=3 106 B15R0.136 CCCCCCNC(=O)NCC(=O)OCC WXVL_AK0286YV0151 [0,2,0,0,0,0|1,0,1]=4 107 B15R0.136 CCCCCCNC(=O)NCC(=O)OCC WXVL_AK0286YV0151 [0,2,0,0,0,0|1,0,1]=4 108 B15R0.136 CCOC(=O)CNC(=O)NCCCCCO WXVL_AK0077YV0151 [0,2,0,0,0,0|2,0,0]=4 109 B15R0.136 CCOC(=O)CNC(=O)NCCCCCO WXVL_AK0077YV0151 [0,2,0,0,0,0|2,0,0]=4 110 B15R0.136 CCOCCCNC(=O)NCC(=O)OCC WXVL_AK0072YV0151 [0,2,0,0,0,0|2,0,0]=4 111 B15R0.136 CCOCCCNC(=O)NCC(=O)OCC WXVL_AK0072YV0151 [0,2,0,0,0,0|2,0,0]=4 112 B15R0.18 CCOC(=O)CCNC(=O)CCCCCBr WXVL_AK0465SB2192 [0,2,0,0,0,0|1,0,0]=3 113 B15R0.18 CCOC(=O)CCNC(=O)CCCCCBr WXVL_AK0465SB2192 [0,2,0,0,0,0|1,0,0]=3 114 B15R0.18 CCOC(=O)CCNC(=O)CCCCCO WXVL_AK0465SB2973 [0,2,0,0,0,0|1,0,0]=3 115 B15R0.18 CCOC(=O)CCNC(=O)CCCCCO WXVL_AK0465SB2973 [0,2,0,0,0,0|1,0,0]=3 116 B15R0.18 CCOC(=O)CCNC(=O)COCCOC WXVL_AK0465SB0159 [0,2,0,0,0,0|2,0,0]=4 117 B15R0.18 CCOC(=O)CCNC(=O)COCCOC WXVL_AK0465SB0159 [0,2,0,0,0,0|2,0,0]=4 118 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [0,2,0,0,0,0|0,0,2]=4 119 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [0,2,0,0,0,0|0,0,2]=4 120 B15R0.110 CCOC(=O)CCNC(=O)CCCC(C)C WXVL_AK0465SB1301 [0,2,0,0,0,0|1,0,0]=3 121 B15R0.110 CCOC(=O)CCNC(=O)CCCC(C)C WXVL_AK0465SB1301 [0,2,0,0,0,0|1,0,0]=3 122 B15R0.110 CCOC(=O)CCNC(=O)CCCN(C)C WXVL_AK0465SB00055 [0,2,0,0,0,0|2,0,0]=4 123 B15R0.110 CCOC(=O)CCNC(=O)CCCN(C)C WXVL_AK0465SB00055 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [1,0,0,1,0,0|1,0,1]=4 125 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [1,0,0,1,0,0|1,0,1]=4 126 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [1,0,0,1,0,0|2,0,0]=4 127 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [1,0,0,1,0,0|2,0,0]=4 128 B15R1.31 CCCCCNC(=O)C1CCNC(=O)C1 WXVL_AK0076SB2983 [0,1,0,1,0,0|2,0,0]=4 129 B15R1.31 CCCCCNC(=O)C1CCNC(=O)C1 WXVL_AK0076SB2983 [0,1,0,1,0,0|2,0,0]=4 130 B15R1.3974 CCCCCNC(=O)CN1CCOC1=O WXVL_AK0076SB8467 [0,1,0,1,0,0|2,0,0]=4 131 B15R1.3974 CCCCCNC(=O)CN1CCOC1=O WXVL_AK0076SB8467 [0,1,0,1,0,0|2,0,0]=4 132 B15R1.4574 CCOC(=O)CNC(=O)N1CCC[C@H]1C WXVL_AN00593YV0151 [0,1,0,1,0,0|2,0,0]=4 133 B15R1.10468 CCOC(=O)CNC(=O)NCC1CCC1 WXVL_AK00492YV0151 [0,1,0,1,0,0|2,0,0]=4 134 B15R1.10468 CCOC(=O)CNC(=O)NCC1CCC1 WXVL_AK00492YV0151 [0,1,0,1,0,0|2,0,0]=4 135 B15R1.10469 CCOC(=O)CNC(=O)NCCC1CC1 WXVL_AK00594YV0151 [0,1,0,1,0,0|2,0,0]=4 136 B15R1.10469 CCOC(=O)CNC(=O)NCCC1CC1 WXVL_AK00594YV0151 [0,1,0,1,0,0|2,0,0]=4 137 B15R1.794 CCOC(=O)CCNC(=O)C1CCCC1 WXVL_AK0465SB0043 [0,1,0,1,0,0|1,0,0]=3 138 B15R1.794 CCOC(=O)CCNC(=O)C1CCCC1 WXVL_AK0465SB0043 [0,1,0,1,0,0|1,0,0]=3 139 B15R1.794 CCOC(=O)CCNC(=O)C1CCCO1 WXVL_AK0465SB1033 [0,1,0,1,0,0|2,0,0]=4 140 B15R1.794 CCOC(=O)CCNC(=O)C1CCCO1 WXVL_AK0465SB1033 [0,1,0,1,0,0|2,0,0]=4 141 B15R1.794 CCOC(=O)CCNC(=O)C1CCCS1 WXVL_AK0465SB0022 [0,1,0,1,0,0|2,0,0]=4 142 B15R1.794 CCOC(=O)CCNC(=O)C1CCCS1 WXVL_AK0465SB0022 [0,1,0,1,0,0|2,0,0]=4 143 B15R1.794 CCOC(=O)CCNC(=O)[C@H]1CCCO1 WXVL_AK0465SB00043 [0,1,0,1,0,0|2,0,0]=4 144 B15R1.794 CCOC(=O)CCNC(=O)[C@H]1CCCO1 WXVL_AK0465SB00043 [0,1,0,1,0,0|2,0,0]=4 145 B15R1.10435 CCOC(=O)CCNC(=O)CC1CCC1 WXVL_AK0465SB2207 [0,1,0,1,0,0|1,0,0]=3 146 B15R1.10435 CCOC(=O)CCNC(=O)CC1CCC1 WXVL_AK0465SB2207 [0,1,0,1,0,0|1,0,0]=3 147 B15R1.10436 CCOC(=O)CCNC(=O)CCC1CC1 WXVL_AK0465SB5360 [0,1,0,1,0,0|1,0,0]=3 148 B15R1.10436 CCOC(=O)CCNC(=O)CCC1CC1 WXVL_AK0465SB5360 [0,1,0,1,0,0|1,0,0]=3