0 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [0,1,0,0,0,0|2,0,1]=4 1 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [0,1,0,0,0,0|2,0,1]=4 2 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [0,1,0,0,0,0|2,0,1]=4 3 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [0,1,0,0,0,0|2,0,1]=4 4 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CO WXVL_AK1866SB2706 [0,1,0,0,0,0|1,0,1]=3 5 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CO WXVL_AK1866SB2706 [0,1,0,0,0,0|1,0,1]=3 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0773 [0,1,0,0,0,0|0,0,2]=3 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0773 [0,1,0,0,0,0|0,0,2]=3 8 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C WXVL_AK2294SB0150 [0,1,0,0,0,0|1,0,2]=4 9 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C WXVL_AK2294SB0150 [0,1,0,0,0,0|1,0,2]=4 10 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2751 [0,1,0,0,0,0|2,0,1]=4 11 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2751 [0,1,0,0,0,0|2,0,1]=4 12 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2576SB0073 [0,1,0,0,0,0|2,0,1]=4 13 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2576SB0073 [0,1,0,0,0,0|2,0,1]=4 14 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB2796 [0,1,0,0,0,0|2,0,1]=4 15 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB2796 [0,1,0,0,0,0|2,0,1]=4 16 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB2796 [0,1,0,0,0,0|1,0,1]=3 17 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB2796 [0,1,0,0,0,0|1,0,1]=3 18 B19R0.9213 CCCCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB2796 [0,1,0,0,0,0|2,0,1]=4 19 B19R0.9213 CCCCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB2796 [0,1,0,0,0,0|2,0,1]=4 20 B19R0.9213 CCCCCCCCCCNC(=O)CCCCCCBr WXVL_AK1845SB1386 [0,1,0,0,0,0|2,0,1]=4 21 B19R0.9213 CCCCCCCCCCNC(=O)CCCCCCBr WXVL_AK1845SB1386 [0,1,0,0,0,0|2,0,1]=4 22 B19R0.9213 CCCCCCCCCCNC(=O)CCCCCCC WXVL_AK1845SB0393 [0,1,0,0,0,0|2,0,1]=4 23 B19R0.9213 CCCCCCCCCCNC(=O)CCCCCCC WXVL_AK1845SB0393 [0,1,0,0,0,0|2,0,1]=4 24 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0547 [0,1,0,0,0,0|2,0,1]=4 25 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0547 [0,1,0,0,0,0|2,0,1]=4 26 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0547 [0,1,0,0,0,0|1,0,1]=3 27 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0547 [0,1,0,0,0,0|1,0,1]=3 28 B19R0.18065 CCCCCNC(=O)CCCCCCCCCCCBr WXVL_AK0076SB0603 [0,1,0,0,0,0|2,0,1]=4 29 B19R0.18065 CCCCCNC(=O)CCCCCCCCCCCBr WXVL_AK0076SB0603 [0,1,0,0,0,0|2,0,1]=4 30 B19R0.18065 O=C(CCCCCBr)NCCCCCCCCCCO WXVL_AK3148SB2192 [0,1,0,0,0,0|2,0,1]=4 31 B19R0.18065 O=C(CCCCCBr)NCCCCCCCCCCO WXVL_AK3148SB2192 [0,1,0,0,0,0|2,0,1]=4 32 B19R0.18065 O=C(CCCCCCCCCCCBr)NCCCCO WXVL_AK0075SB0603 [0,1,0,0,0,0|2,0,1]=4 33 B19R0.18065 O=C(CCCCCCCCCCCBr)NCCCCO WXVL_AK0075SB0603 [0,1,0,0,0,0|2,0,1]=4 34 B19R0.18065 O=C(CCCCCO)NCCCCCCCCCCO WXVL_AK3148SB2973 [0,1,0,0,0,0|2,0,1]=4 35 B19R0.18065 O=C(CCCCCO)NCCCCCCCCCCO WXVL_AK3148SB2973 [0,1,0,0,0,0|2,0,1]=4 36 B19R0.23229 CCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0409 [0,1,0,0,0,0|1,0,1]=3 37 B19R0.23229 CCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0409 [0,1,0,0,0,0|1,0,1]=3 38 B19R0.23229 CCCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0490 [0,1,0,0,0,0|1,0,1]=3 39 B19R0.23229 CCCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0490 [0,1,0,0,0,0|1,0,1]=3 40 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCBr WXVL_AK1826SB0559 [0,1,0,0,0,0|2,0,1]=4 41 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCBr WXVL_AK1826SB0559 [0,1,0,0,0,0|2,0,1]=4 42 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCC WXVL_AK1826SB0409 [0,1,0,0,0,0|2,0,1]=4 43 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCC WXVL_AK1826SB0409 [0,1,0,0,0,0|2,0,1]=4 44 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCO WXVL_AK1826SB1306 [0,1,0,0,0,0|1,0,1]=3 45 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCO WXVL_AK1826SB1306 [0,1,0,0,0,0|1,0,1]=3 46 B19R0.23229 O=C(CCCCCCCBr)NCCCCCCCCO WXVL_AK4142SB0559 [0,1,0,0,0,0|2,0,1]=4 47 B19R0.23229 O=C(CCCCCCCBr)NCCCCCCCCO WXVL_AK4142SB0559 [0,1,0,0,0,0|2,0,1]=4 48 B19R0.23229 O=C(CCCCCCCO)NCCCCCCCCO WXVL_AK4142SB1306 [0,1,0,0,0,0|2,0,1]=4 49 B19R0.23229 O=C(CCCCCCCO)NCCCCCCCCO WXVL_AK4142SB1306 [0,1,0,0,0,0|2,0,1]=4 50 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0562 [0,1,0,0,0,0|2,0,1]=4 51 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0562 [0,1,0,0,0,0|2,0,1]=4 52 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0562 [0,1,0,0,0,0|1,0,1]=3 53 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0562 [0,1,0,0,0,0|1,0,1]=3 54 B19R0.25648 CCCCCCCCCCCCNC(=O)CCCCBr WXVL_AK1886SB3153 [0,1,0,0,0,0|2,0,1]=4 55 B19R0.25648 CCCCCCCCCCCCNC(=O)CCCCBr WXVL_AK1886SB3153 [0,1,0,0,0,0|2,0,1]=4 56 B19R0.25648 CCCCCCCCCCCCNC(=O)CCCCCl WXVL_AK1886SB0379 [0,1,0,0,0,0|2,0,1]=4 57 B19R0.25648 CCCCCCCCCCCCNC(=O)CCCCCl WXVL_AK1886SB0379 [0,1,0,0,0,0|2,0,1]=4 58 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCO WXVL_AK0073YV0205 [0,1,0,0,0,0|2,0,1]=4 59 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCO WXVL_AK0073YV0205 [0,1,0,0,0,0|2,0,1]=4 60 B19R0.26208 CCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0447 [0,1,0,0,0,0|2,0,1]=4 61 B19R0.26208 CCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0447 [0,1,0,0,0,0|2,0,1]=4 62 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0577 [0,1,0,0,0,0|2,0,1]=4 63 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0577 [0,1,0,0,0,0|2,0,1]=4 64 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0577 [0,1,0,0,0,0|2,0,1]=4 65 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0577 [0,1,0,0,0,0|2,0,1]=4 66 B19R0.26303 CCOCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0091 [0,1,0,0,0,0|2,0,1]=4 67 B19R0.26303 CCOCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0091 [0,1,0,0,0,0|2,0,1]=4 68 B19R0.26303 CCSCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0002 [0,1,0,0,0,0|2,0,1]=4 69 B19R0.26303 CCSCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0002 [0,1,0,0,0,0|2,0,1]=4 70 B19R0.26303 COCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0156 [0,1,0,0,0,0|2,0,1]=4 71 B19R0.26303 COCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0156 [0,1,0,0,0,0|2,0,1]=4 72 B19R0.26303 CSCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0361 [0,1,0,0,0,0|2,0,1]=4 73 B19R0.26303 CSCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0361 [0,1,0,0,0,0|2,0,1]=4 74 B18R0.110 CCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0073 [1,1,0,0,0,0|1,0,1]=4 75 B18R0.110 CCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0073 [1,1,0,0,0,0|1,0,1]=4 76 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0577 [1,1,0,0,0,0|1,0,1]=4 77 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0577 [1,1,0,0,0,0|1,0,1]=4 78 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC WXVL_AK4135SB0073 [1,1,0,0,0,0|1,0,1]=4 79 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC WXVL_AK4135SB0073 [1,1,0,0,0,0|1,0,1]=4 80 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [1,1,0,0,0,0|1,0,1]=4 81 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [1,1,0,0,0,0|1,0,1]=4 82 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [1,1,0,0,0,0|1,0,1]=4 83 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [1,1,0,0,0,0|1,0,1]=4 84 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [1,1,0,0,0,0|1,0,1]=4 85 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [1,1,0,0,0,0|1,0,1]=4 86 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [1,1,0,0,0,0|0,0,2]=4 87 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [1,1,0,0,0,0|0,0,2]=4 88 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [1,1,0,0,0,0|1,0,1]=4 89 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [1,1,0,0,0,0|1,0,1]=4 90 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0562 [1,1,0,0,0,0|1,0,1]=4 91 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0562 [1,1,0,0,0,0|1,0,1]=4 92 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB2796 [1,1,0,0,0,0|1,0,1]=4 93 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB2796 [1,1,0,0,0,0|1,0,1]=4 94 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB2796 [1,1,0,0,0,0|1,0,1]=4 95 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB2796 [1,1,0,0,0,0|1,0,1]=4 96 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO WXVL_AK1845SB2973 [1,1,0,0,0,0|1,0,1]=4 97 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO WXVL_AK1845SB2973 [1,1,0,0,0,0|1,0,1]=4 98 B18R0.11621 CCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0447 [1,1,0,0,0,0|1,0,1]=4 99 B18R0.11621 CCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0447 [1,1,0,0,0,0|1,0,1]=4 100 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCC WXVL_AK1818SB0409 [1,1,0,0,0,0|1,0,1]=4 101 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCC WXVL_AK1818SB0409 [1,1,0,0,0,0|1,0,1]=4 102 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCO WXVL_AK1818SB1306 [1,1,0,0,0,0|1,0,1]=4 103 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCO WXVL_AK1818SB1306 [1,1,0,0,0,0|1,0,1]=4 104 B18R0.17438 CCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0393 [1,1,0,0,0,0|1,0,1]=4 105 B18R0.17438 CCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0393 [1,1,0,0,0,0|1,0,1]=4 106 B18R0.17438 CCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0490 [1,1,0,0,0,0|1,0,1]=4 107 B18R0.17438 CCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0490 [1,1,0,0,0,0|1,0,1]=4 108 B18R0.17438 CCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0490 [1,1,0,0,0,0|1,0,1]=4 109 B18R0.17438 CCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0490 [1,1,0,0,0,0|1,0,1]=4 110 B18R0.17438 CCCCCCCCCNC(=O)CCCCCCC WXVL_AK1826SB0393 [1,1,0,0,0,0|1,0,1]=4 111 B18R0.17438 CCCCCCCCCNC(=O)CCCCCCC WXVL_AK1826SB0393 [1,1,0,0,0,0|1,0,1]=4 112 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0547 [1,1,0,0,0,0|1,0,1]=4 113 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0547 [1,1,0,0,0,0|1,0,1]=4 114 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0547 [1,1,0,0,0,0|1,0,1]=4 115 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0547 [1,1,0,0,0,0|1,0,1]=4 116 B20R0.39 CCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2735 [0,2,0,0,0,0|1,0,1]=4 117 B20R0.39 CCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2735 [0,2,0,0,0,0|1,0,1]=4 118 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK1866SB0073 [0,2,0,0,0,0|1,0,1]=4 119 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK1866SB0073 [0,2,0,0,0,0|1,0,1]=4 120 B20R0.39 CCCCCCCCCCCCCCCNC(=O)COC WXVL_AK1866SB0090 [0,2,0,0,0,0|1,0,1]=4 121 B20R0.39 CCCCCCCCCCCCCCCNC(=O)COC WXVL_AK1866SB0090 [0,2,0,0,0,0|1,0,1]=4 122 B20R0.110 CCCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0577 [0,2,0,0,0,0|1,0,1]=4 123 B20R0.110 CCCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0577 [0,2,0,0,0,0|1,0,1]=4 124 B20R0.110 CCCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0577 [0,2,0,0,0,0|0,0,1]=3 125 B20R0.110 CCCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0577 [0,2,0,0,0,0|0,0,1]=3 126 B20R0.110 CCCCCCCCCCCCCNC(=O)CCCCBr WXVL_AK4135SB3153 [0,2,0,0,0,0|1,0,1]=4 127 B20R0.110 CCCCCCCCCCCCCNC(=O)CCCCBr WXVL_AK4135SB3153 [0,2,0,0,0,0|1,0,1]=4 128 B20R0.110 CCCCCCCCCCCCCNC(=O)CCCCCl WXVL_AK4135SB0379 [0,2,0,0,0,0|1,0,1]=4 129 B20R0.110 CCCCCCCCCCCCCNC(=O)CCCCCl WXVL_AK4135SB0379 [0,2,0,0,0,0|1,0,1]=4 130 B20R0.110 O=C(CCCCBr)NCCCCCCCCCCCCO WXVL_AK3055SB3153 [0,2,0,0,0,0|1,0,1]=4 131 B20R0.110 O=C(CCCCBr)NCCCCCCCCCCCCO WXVL_AK3055SB3153 [0,2,0,0,0,0|1,0,1]=4 132 B20R0.110 O=C(CCCCCl)NCCCCCCCCCCCCO WXVL_AK3055SB0379 [0,2,0,0,0,0|1,0,1]=4 133 B20R0.110 O=C(CCCCCl)NCCCCCCCCCCCCO WXVL_AK3055SB0379 [0,2,0,0,0,0|1,0,1]=4 134 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0773 [0,2,0,0,0,0|0,0,2]=4 135 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0773 [0,2,0,0,0,0|0,0,2]=4 136 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CC WXVL_AK2294SB0064 [0,2,0,0,0,0|1,0,1]=4 137 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CC WXVL_AK2294SB0064 [0,2,0,0,0,0|1,0,1]=4 138 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CO WXVL_AK2294SB2706 [0,2,0,0,0,0|0,0,1]=3 139 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CO WXVL_AK2294SB2706 [0,2,0,0,0,0|0,0,1]=3 140 B20R0.10415 CCCCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB2796 [0,2,0,0,0,0|0,0,1]=3 141 B20R0.10415 CCCCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB2796 [0,2,0,0,0,0|0,0,1]=3 142 B20R0.10415 CCCCCCCCCCNC(=O)CCCCCCCBr WXVL_AK1845SB0559 [0,2,0,0,0,0|1,0,1]=4 143 B20R0.10415 CCCCCCCCCCNC(=O)CCCCCCCBr WXVL_AK1845SB0559 [0,2,0,0,0,0|1,0,1]=4 144 B20R0.10415 CCCCCCCCCCNC(=O)CCCCCCCC WXVL_AK1845SB0409 [0,2,0,0,0,0|1,0,1]=4 145 B20R0.10415 CCCCCCCCCCNC(=O)CCCCCCCC WXVL_AK1845SB0409 [0,2,0,0,0,0|1,0,1]=4 146 B20R0.10415 CCCCCCCCCCNC(=O)CCCCCCCO WXVL_AK1845SB1306 [0,2,0,0,0,0|0,0,1]=3 147 B20R0.10415 CCCCCCCCCCNC(=O)CCCCCCCO WXVL_AK1845SB1306 [0,2,0,0,0,0|0,0,1]=3 148 B20R0.22246 CCCCCCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0393 [0,2,0,0,0,0|0,0,1]=3 149 B20R0.22246 CCCCCCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0393 [0,2,0,0,0,0|0,0,1]=3 150 B20R0.22246 CCCCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0547 [0,2,0,0,0,0|1,0,1]=4 151 B20R0.22246 CCCCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0547 [0,2,0,0,0,0|1,0,1]=4 152 B20R0.22246 CCCCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0547 [0,2,0,0,0,0|0,0,1]=3 153 B20R0.22246 CCCCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0547 [0,2,0,0,0,0|0,0,1]=3 154 B20R0.22246 CCCCCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB0547 [0,2,0,0,0,0|1,0,1]=4 155 B20R0.22246 CCCCCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB0547 [0,2,0,0,0,0|1,0,1]=4 156 B20R0.22246 CCCCCCNC(=O)CCCCCCCCCCCBr WXVL_AK0286SB0603 [0,2,0,0,0,0|1,0,1]=4 157 B20R0.22246 CCCCCCNC(=O)CCCCCCCCCCCBr WXVL_AK0286SB0603 [0,2,0,0,0,0|1,0,1]=4 158 B20R0.22246 O=C(CCCCCCBr)NCCCCCCCCCCO WXVL_AK3148SB1386 [0,2,0,0,0,0|1,0,1]=4 159 B20R0.22246 O=C(CCCCCCBr)NCCCCCCCCCCO WXVL_AK3148SB1386 [0,2,0,0,0,0|1,0,1]=4 160 B20R0.22246 O=C(CCCCCCCCCCCBr)NCCCCCO WXVL_AK0077SB0603 [0,2,0,0,0,0|1,0,1]=4 161 B20R0.22246 O=C(CCCCCCCCCCCBr)NCCCCCO WXVL_AK0077SB0603 [0,2,0,0,0,0|1,0,1]=4 162 B20R0.22317 CCCCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0562 [0,2,0,0,0,0|1,0,1]=4 163 B20R0.22317 CCCCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0562 [0,2,0,0,0,0|1,0,1]=4 164 B20R0.22317 CCCCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0562 [0,2,0,0,0,0|0,0,1]=3 165 B20R0.22317 CCCCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0562 [0,2,0,0,0,0|0,0,1]=3 166 B20R0.22317 CCCCCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0562 [0,2,0,0,0,0|1,0,1]=4 167 B20R0.22317 CCCCCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0562 [0,2,0,0,0,0|1,0,1]=4 168 B20R0.22317 CCCCCCCCCCCCNC(=O)CCCCCBr WXVL_AK1886SB2192 [0,2,0,0,0,0|1,0,1]=4 169 B20R0.22317 CCCCCCCCCCCCNC(=O)CCCCCBr WXVL_AK1886SB2192 [0,2,0,0,0,0|1,0,1]=4 170 B20R0.22317 CCCCCCCCCCCCNC(=O)CCCCCO WXVL_AK1886SB2973 [0,2,0,0,0,0|0,0,1]=3 171 B20R0.22317 CCCCCCCCCCCCNC(=O)CCCCCO WXVL_AK1886SB2973 [0,2,0,0,0,0|0,0,1]=3 172 B20R0.22317 CCCCCCCCCCCCNC(=O)NCCCCO WXVL_AK0075YV0205 [0,2,0,0,0,0|1,0,1]=4 173 B20R0.22317 CCCCCCCCCCCCNC(=O)NCCCCO WXVL_AK0075YV0205 [0,2,0,0,0,0|1,0,1]=4 174 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0634 [0,2,0,0,0,0|0,0,1]=3 175 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0634 [0,2,0,0,0,0|0,0,1]=3 176 B20R0.31962 CCCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0447 [0,2,0,0,0,0|0,0,1]=3 177 B20R0.31962 CCCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0447 [0,2,0,0,0,0|0,0,1]=3 178 B20R0.31962 CCCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0490 [0,2,0,0,0,0|1,0,1]=4 179 B20R0.31962 CCCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0490 [0,2,0,0,0,0|1,0,1]=4 180 B20R0.31962 CCCCCCCCCNC(=O)CCCCCCCCC WXVL_AK1826SB0447 [0,2,0,0,0,0|1,0,1]=4 181 B20R0.31962 CCCCCCCCCNC(=O)CCCCCCCCC WXVL_AK1826SB0447 [0,2,0,0,0,0|1,0,1]=4 182 B20R0.31962 CCCCCCCCNC(=O)NCCCCCCCCO WXVL_AK4142YV0182 [0,2,0,0,0,0|1,0,1]=4 183 B20R0.31962 CCCCCCCCNC(=O)NCCCCCCCCO WXVL_AK4142YV0182 [0,2,0,0,0,0|1,0,1]=4 184 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2751 [0,2,0,0,0,0|1,0,1]=4 185 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2751 [0,2,0,0,0,0|1,0,1]=4 186 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2751 [0,2,0,0,0,0|1,0,1]=4 187 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2751 [0,2,0,0,0,0|1,0,1]=4 188 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCOC WXVL_AK2576SB0156 [0,2,0,0,0,0|1,0,1]=4 189 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCOC WXVL_AK2576SB0156 [0,2,0,0,0,0|1,0,1]=4 190 B20R0.3037 CCCCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1866SB1085 [0,2,0,0,0,0|1,0,1]=4 191 B20R0.3037 CCCCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1866SB1085 [0,2,0,0,0,0|1,0,1]=4 192 B20R0.22235 CCCCCCCCCCCCC(=O)NCCC(C)CO WXVL_AK4143SB0547 [0,2,0,0,0,0|1,0,1]=4 193 B20R0.22235 CCCCCCCCCCCCC(=O)NCCC(C)CO WXVL_AK4143SB0547 [0,2,0,0,0,0|1,0,1]=4 194 B20R0.22320 CCCCCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0562 [0,2,0,0,0,0|1,0,1]=4 195 B20R0.22320 CCCCCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0562 [0,2,0,0,0,0|1,0,1]=4 196 B20R0.22320 CCCCCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0562 [0,2,0,0,0,0|1,0,1]=4 197 B20R0.22320 CCCCCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0562 [0,2,0,0,0,0|1,0,1]=4 198 B20R0.32503 CCC(C)CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0353 [0,2,0,0,0,0|1,0,1]=4 199 B20R0.32503 CCC(C)CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0353 [0,2,0,0,0,0|1,0,1]=4 200 B20R0.32503 CCC(O)CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB4092 [0,2,0,0,0,0|1,0,1]=4 201 B20R0.32503 CCC(O)CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB4092 [0,2,0,0,0,0|1,0,1]=4 202 B20R0.32503 CCCCCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0577 [0,2,0,0,0,0|1,0,1]=4 203 B20R0.32503 CCCCCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0577 [0,2,0,0,0,0|1,0,1]=4 204 B20R0.32503 CC[C@@H](C)CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB8650 [0,2,0,0,0,0|1,0,1]=4 205 B20R0.32503 CC[C@@H](C)CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB8650 [0,2,0,0,0,0|1,0,1]=4 206 B20R0.2931 CCCCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK2576SB3643 [0,2,0,0,0,0|1,0,1]=4 207 B20R0.2931 CCCCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK2576SB3643 [0,2,0,0,0,0|1,0,1]=4 208 B20R0.3041 CC(C)CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0354 [0,2,0,0,0,0|1,0,1]=4 209 B20R0.3041 CC(C)CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0354 [0,2,0,0,0,0|1,0,1]=4 210 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0577 [0,2,0,0,0,0|1,0,1]=4 211 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0577 [0,2,0,0,0,0|1,0,1]=4 212 B20R0.3041 CCCCCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0577 [0,2,0,0,0,0|1,0,1]=4 213 B20R0.3041 CCCCCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0577 [0,2,0,0,0,0|1,0,1]=4 214 B20R0.32384 CCCCCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB0562 [0,2,0,0,0,0|1,0,1]=4 215 B20R0.32384 CCCCCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB0562 [0,2,0,0,0,0|1,0,1]=4 216 B20R0.32504 CCCC(C)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0352 [0,2,0,0,0,0|1,0,1]=4 217 B20R0.32504 CCCC(C)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0352 [0,2,0,0,0,0|1,0,1]=4 218 B20R0.32504 CCCCCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0577 [0,2,0,0,0,0|1,0,1]=4 219 B20R0.32504 CCCCCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0577 [0,2,0,0,0,0|1,0,1]=4 220 B20R0.32504 CCC[C@H](O)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB3627 [0,2,0,0,0,0|1,0,1]=4 221 B20R0.32504 CCC[C@H](O)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB3627 [0,2,0,0,0,0|1,0,1]=4 222 B20R0.9747 CCCCCC(C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0394 [0,2,0,0,0,0|1,0,1]=4 223 B20R0.9747 CCCCCC(C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0394 [0,2,0,0,0,0|1,0,1]=4 224 B20R0.22229 CCCCCCCCCCCCS(=O)(=O)NCCCCO WXVL_AK0075HU0325 [0,2,0,0,0,0|2,0,0]=4 225 B20R0.22229 CCCCCCCCCCCCS(=O)(=O)NCCCCO WXVL_AK0075HU0325 [0,2,0,0,0,0|2,0,0]=4 226 B20R0.28543 CCCCCCCCCCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0549 [0,2,0,0,0,0|2,0,0]=4 227 B20R0.28543 CCCCCCCCCCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0549 [0,2,0,0,0,0|2,0,0]=4 228 B20R0.28543 CCCCCCCCS(=O)(=O)NCCCCCCCCO WXVL_AK4142HU0331 [0,2,0,0,0,0|2,0,0]=4 229 B20R0.28543 CCCCCCCCS(=O)(=O)NCCCCCCCCO WXVL_AK4142HU0331 [0,2,0,0,0,0|2,0,0]=4 230 B20R0.22288 CCCCS(=O)(=O)NCCCCCCCCCCCCO WXVL_AK3055HU0031 [0,2,0,0,0,0|2,0,0]=4 231 B20R0.22288 CCCCS(=O)(=O)NCCCCCCCCCCCCO WXVL_AK3055HU0031 [0,2,0,0,0,0|2,0,0]=4 232 B20R1.3361 CCCCCCCCCCNC(=O)CC1CCCCO1 WXVL_AK1845SB1464 [0,1,0,1,0,0|1,0,1]=4 233 B20R1.3361 CCCCCCCCCCNC(=O)CC1CCCCO1 WXVL_AK1845SB1464 [0,1,0,1,0,0|1,0,1]=4 234 B20R1.8375 CCCCCCCCCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2796 [0,1,0,1,0,0|1,0,1]=4 235 B20R1.8375 CCCCCCCCCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2796 [0,1,0,1,0,0|1,0,1]=4 236 B20R1.68701 CCCCCCCCCCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB2796 [0,1,0,1,0,0|1,0,1]=4 237 B20R1.288 O=C(NCCCCCCCCCCO)C1CCCCC1 WXVL_AK3148SB0047 [0,1,0,1,0,0|1,0,1]=4 238 B20R1.288 O=C(NCCCCCCCCCCO)C1CCCCC1 WXVL_AK3148SB0047 [0,1,0,1,0,0|1,0,1]=4 239 B20R1.8381 O=C(CC1CCCC1)NCCCCCCCCCCO WXVL_AK3148SB0044 [0,1,0,1,0,0|1,0,1]=4 240 B20R1.8381 O=C(CC1CCCC1)NCCCCCCCCCCO WXVL_AK3148SB0044 [0,1,0,1,0,0|1,0,1]=4 241 B20R1.18842 CC1CCCC1C(=O)NCCCCCCCCCCO WXVL_AK3148SB0904 [0,1,0,1,0,0|1,0,1]=4 242 B20R1.18842 CC1CCCC1C(=O)NCCCCCCCCCCO WXVL_AK3148SB0904 [0,1,0,1,0,0|1,0,1]=4 243 B20R1.18843 CCCCCCCCCCCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0547 [0,1,0,1,0,0|1,0,1]=4 244 B20R1.18843 CCCCCCCCCCCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0547 [0,1,0,1,0,0|1,0,1]=4 245 B20R1.18843 CCCCCCCCCCCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0547 [0,1,0,1,0,0|1,0,1]=4 246 B20R1.18845 CCCCCCCCCCCCC(=O)NCC1CCO1 WXVL_AK1433SB0547 [0,1,0,1,0,0|1,0,1]=4 247 B20R1.18845 CCCCCCCCCCCCC(=O)NCC1CCO1 WXVL_AK1433SB0547 [0,1,0,1,0,0|1,0,1]=4 248 B20R1.18845 O=C(CCC1CCC1)NCCCCCCCCCCO WXVL_AK3148SB8784 [0,1,0,1,0,0|1,0,1]=4 249 B20R1.18845 O=C(CCC1CCC1)NCCCCCCCCCCO WXVL_AK3148SB8784 [0,1,0,1,0,0|1,0,1]=4 250 B20R1.3356 CCCCCCCCCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0490 [0,1,0,1,0,0|1,0,1]=4 251 B20R1.3356 CCCCCCCCCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0490 [0,1,0,1,0,0|1,0,1]=4 252 B20R1.3356 O=C(CCC1CCCCC1)NCCCCCCCCO WXVL_AK4142SB0049 [0,1,0,1,0,0|1,0,1]=4 253 B20R1.3356 O=C(CCC1CCCCC1)NCCCCCCCCO WXVL_AK4142SB0049 [0,1,0,1,0,0|1,0,1]=4 254 B20R1.7588 O=C(CCCCCCCO)NCCCC1CCCCC1 WXVL_AK4112SB1306 [0,1,0,1,0,0|1,0,1]=4 255 B20R1.7588 O=C(CCCCCCCO)NCCCC1CCCCC1 WXVL_AK4112SB1306 [0,1,0,1,0,0|1,0,1]=4 256 B20R1.61301 CCCCCCCCCCC(=O)N1CCCCC1CO WXVL_AN0018SB0490 [0,1,0,1,0,0|1,0,1]=4 257 B20R1.61301 CCCCCCCCCCC(=O)N1CCCCC1CO WXVL_AN0018SB0490 [0,1,0,1,0,0|1,0,1]=4 258 B20R1.3378 CCCCCCCCCCCCNC(=O)C1CCCO1 WXVL_AK1886SB1033 [0,1,0,1,0,0|1,0,1]=4 259 B20R1.3378 CCCCCCCCCCCCNC(=O)C1CCCO1 WXVL_AK1886SB1033 [0,1,0,1,0,0|1,0,1]=4 260 B20R1.3378 CCCCCCCCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK1886SB00043 [0,1,0,1,0,0|1,0,1]=4 261 B20R1.3378 CCCCCCCCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK1886SB00043 [0,1,0,1,0,0|1,0,1]=4 262 B20R1.36438 CCCCCCCCCC(=O)N1CCCCC1CCO WXVL_AN2918SB0447 [0,1,0,1,0,0|1,0,1]=4 263 B20R1.36438 CCCCCCCCCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0447 [0,1,0,1,0,0|1,0,1]=4 264 B20R1.202095 O=C(NCCCCCCCCCCCCO)C1CCC1 WXVL_AK3055SB0042 [0,1,0,1,0,0|1,0,1]=4 265 B20R1.202095 O=C(NCCCCCCCCCCCCO)C1CCC1 WXVL_AK3055SB0042 [0,1,0,1,0,0|1,0,1]=4 266 B20R1.202097 O=C(CC1CC1)NCCCCCCCCCCCCO WXVL_AK3055SB0155 [0,1,0,1,0,0|1,0,1]=4 267 B20R1.202097 O=C(CC1CC1)NCCCCCCCCCCCCO WXVL_AK3055SB0155 [0,1,0,1,0,0|1,0,1]=4 268 B20R1.2989991 CC1CC1C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0041 [0,1,0,1,0,0|1,0,1]=4 269 B20R1.2989991 CC1CC1C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0041 [0,1,0,1,0,0|1,0,1]=4