0 B19R0.182 C#CCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B19R0.182 C#CCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB3070 [0,0,0,0,0,0|2,0,2]=4 2 B19R0.182 C/C=C/C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0340 [0,0,0,0,0,0|2,0,1]=3 3 B19R0.182 C/C=C/C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0340 [0,0,0,0,0,0|2,0,1]=3 4 B19R0.182 C=CCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2732 [0,0,0,0,0,0|2,0,2]=4 5 B19R0.182 C=CCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2732 [0,0,0,0,0,0|2,0,2]=4 6 B19R0.182 CC#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB1240 [0,0,0,0,0,0|2,0,1]=3 7 B19R0.182 CC#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB1240 [0,0,0,0,0,0|2,0,1]=3 8 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2751 [0,0,0,0,0,0|1,0,0]=1 9 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2751 [0,0,0,0,0,0|1,0,0]=1 10 B19R0.182 CCCCCCCCCCCCCCNC(=O)CC#N WXVL_AK2576SB0057 [0,0,0,0,0,0|3,0,1]=4 11 B19R0.182 CCCCCCCCCCCCCCNC(=O)CC#N WXVL_AK2576SB0057 [0,0,0,0,0,0|3,0,1]=4 12 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2576SB0073 [0,0,0,0,0,0|2,0,0]=2 13 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2576SB0073 [0,0,0,0,0,0|2,0,0]=2 14 B19R0.182 CCCCCCCCCCCCCCNC(=O)COC WXVL_AK2576SB0090 [0,0,0,0,0,0|3,0,0]=3 15 B19R0.182 CCCCCCCCCCCCCCNC(=O)COC WXVL_AK2576SB0090 [0,0,0,0,0,0|3,0,0]=3 16 B19R0.182 CCCCCCCCCCCCCCNC(=O)CSC WXVL_AK2576SB1267 [0,0,0,0,0,0|3,0,0]=3 17 B19R0.182 CCCCCCCCCCCCCCNC(=O)CSC WXVL_AK2576SB1267 [0,0,0,0,0,0|3,0,0]=3 18 B18R0.110 C/C=C/C(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0340 [1,0,0,0,0,0|2,0,1]=4 19 B18R0.110 C/C=C/C(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0340 [1,0,0,0,0,0|2,0,1]=4 20 B18R0.110 CC#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB1240 [1,0,0,0,0,0|2,0,1]=4 21 B18R0.110 CC#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB1240 [1,0,0,0,0,0|2,0,1]=4 22 B18R0.110 CCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0073 [1,0,0,0,0,0|3,0,0]=4 23 B18R0.110 CCCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0073 [1,0,0,0,0,0|3,0,0]=4 24 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0577 [1,0,0,0,0,0|1,0,0]=2 25 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0577 [1,0,0,0,0,0|1,0,0]=2 26 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC WXVL_AK4135SB0073 [1,0,0,0,0,0|2,0,0]=3 27 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC WXVL_AK4135SB0073 [1,0,0,0,0,0|2,0,0]=3 28 B18R0.110 CCCCCCCCCCCCCNC(=O)COC WXVL_AK4135SB0090 [1,0,0,0,0,0|3,0,0]=4 29 B18R0.110 CCCCCCCCCCCCCNC(=O)COC WXVL_AK4135SB0090 [1,0,0,0,0,0|3,0,0]=4 30 B18R0.110 CCCCCCCCCCCCCNC(=O)CSC WXVL_AK4135SB1267 [1,0,0,0,0,0|3,0,0]=4 31 B18R0.110 CCCCCCCCCCCCCNC(=O)CSC WXVL_AK4135SB1267 [1,0,0,0,0,0|3,0,0]=4 32 B18R0.171 C#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0338 [1,0,0,0,0,0|1,0,2]=4 33 B18R0.171 C#CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0338 [1,0,0,0,0,0|1,0,2]=4 34 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [1,0,0,0,0,0|1,0,0]=2 35 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2751 [1,0,0,0,0,0|1,0,0]=2 36 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [1,0,0,0,0,0|1,0,0]=2 37 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC WXVL_AK2576SB0064 [1,0,0,0,0,0|1,0,0]=2 38 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [1,0,0,0,0,0|2,0,0]=3 39 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO WXVL_AK2576SB2706 [1,0,0,0,0,0|2,0,0]=3 40 B20R0.39 C#CCC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB3070 [0,1,0,0,0,0|1,0,2]=4 41 B20R0.39 C#CCC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB3070 [0,1,0,0,0,0|1,0,2]=4 42 B20R0.39 C/C=C/C(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0340 [0,1,0,0,0,0|1,0,1]=3 43 B20R0.39 C/C=C/C(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0340 [0,1,0,0,0,0|1,0,1]=3 44 B20R0.39 C=CCC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB2732 [0,1,0,0,0,0|1,0,2]=4 45 B20R0.39 C=CCC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB2732 [0,1,0,0,0,0|1,0,2]=4 46 B20R0.39 CC#CC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB1240 [0,1,0,0,0,0|1,0,1]=3 47 B20R0.39 CC#CC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB1240 [0,1,0,0,0,0|1,0,1]=3 48 B20R0.39 CCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2735 [0,1,0,0,0,0|1,0,0]=2 49 B20R0.39 CCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2735 [0,1,0,0,0,0|1,0,0]=2 50 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CC#N WXVL_AK1866SB0057 [0,1,0,0,0,0|2,0,1]=4 51 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CC#N WXVL_AK1866SB0057 [0,1,0,0,0,0|2,0,1]=4 52 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK1866SB0073 [0,1,0,0,0,0|1,0,0]=2 53 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK1866SB0073 [0,1,0,0,0,0|1,0,0]=2 54 B20R0.39 CCCCCCCCCCCCCCCNC(=O)COC WXVL_AK1866SB0090 [0,1,0,0,0,0|2,0,0]=3 55 B20R0.39 CCCCCCCCCCCCCCCNC(=O)COC WXVL_AK1866SB0090 [0,1,0,0,0,0|2,0,0]=3 56 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CSC WXVL_AK1866SB1267 [0,1,0,0,0,0|2,0,0]=3 57 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CSC WXVL_AK1866SB1267 [0,1,0,0,0,0|2,0,0]=3 58 B20R0.112 C/C=C(\C)/C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0343 [0,1,0,0,0,0|2,0,1]=4 59 B20R0.112 C/C=C(\C)/C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0343 [0,1,0,0,0,0|2,0,1]=4 60 B20R0.112 CCCCCCCCCCCCCCNC(=O)C(=O)CC WXVL_AK2576SB0344 [0,1,0,0,0,0|2,0,0]=3 61 B20R0.112 CCCCCCCCCCCCCCNC(=O)C(=O)CC WXVL_AK2576SB0344 [0,1,0,0,0,0|2,0,0]=3 62 B20R0.112 CCCCCCCCCCCCCCNC(=O)C(C)CC WXVL_AK2576SB0054 [0,1,0,0,0,0|2,0,0]=3 63 B20R0.112 CCCCCCCCCCCCCCNC(=O)C(C)CC WXVL_AK2576SB0054 [0,1,0,0,0,0|2,0,0]=3 64 B20R0.112 CCCCCCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK2576SB2926 [0,1,0,0,0,0|3,0,0]=4 65 B20R0.112 CCCCCCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK2576SB2926 [0,1,0,0,0,0|3,0,0]=4 66 B20R0.112 CCCCCCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK2576SB3573 [0,1,0,0,0,0|2,0,0]=3 67 B20R0.112 CCCCCCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK2576SB3573 [0,1,0,0,0,0|2,0,0]=3 68 B20R0.112 CCCCCCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK2576SB00054 [0,1,0,0,0,0|2,0,0]=3 69 B20R0.112 CCCCCCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK2576SB00054 [0,1,0,0,0,0|2,0,0]=3 70 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2751 [0,1,0,0,0,0|1,0,0]=2 71 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2751 [0,1,0,0,0,0|1,0,0]=2 72 B20R0.2931 CCCCCCCCCCCCCCNC(=O)C=C(C)C WXVL_AK2576SB0342 [0,1,0,0,0,0|2,0,1]=4 73 B20R0.2931 CCCCCCCCCCCCCCNC(=O)C=C(C)C WXVL_AK2576SB0342 [0,1,0,0,0,0|2,0,1]=4 74 B20R0.2931 CCCCCCCCCCCCCCNC(=O)CC(C)C WXVL_AK2576SB0063 [0,1,0,0,0,0|2,0,0]=3 75 B20R0.2931 CCCCCCCCCCCCCCNC(=O)CC(C)C WXVL_AK2576SB0063 [0,1,0,0,0,0|2,0,0]=3 76 B20R0.2931 CCCCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK2576SB3643 [0,1,0,0,0,0|2,0,0]=3 77 B20R0.2931 CCCCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK2576SB3643 [0,1,0,0,0,0|2,0,0]=3 78 B20R0.2931 CCCCCCCCCCCCCCNC(=O)CN(C)C WXVL_AK2576SB0085 [0,1,0,0,0,0|3,0,0]=4 79 B20R0.2931 CCCCCCCCCCCCCCNC(=O)CN(C)C WXVL_AK2576SB0085 [0,1,0,0,0,0|3,0,0]=4 80 B20R0.10432 CCCCCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB2796 [0,1,0,0,0,0|1,0,1]=3 81 B20R0.10432 CCCCCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB2796 [0,1,0,0,0,0|1,0,1]=3 82 B20R0.22323 CCCCCCCCCCCCCCNS(=O)(=O)CCC WXVL_AK2576HU0030 [0,1,0,0,0,0|3,0,0]=4 83 B20R0.22323 CCCCCCCCCCCCCCNS(=O)(=O)CCC WXVL_AK2576HU0030 [0,1,0,0,0,0|3,0,0]=4 84 B20R0.32083 C#CCCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2189 [0,1,0,0,0,0|2,0,1]=4 85 B20R0.32083 C#CCCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2189 [0,1,0,0,0,0|2,0,1]=4 86 B20R0.32083 C=CCCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB1035 [0,1,0,0,0,0|2,0,1]=4 87 B20R0.32083 C=CCCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB1035 [0,1,0,0,0,0|2,0,1]=4 88 B20R0.32083 C=CCNC(=O)CCCCCCCCCCCCCCC WXVL_AK00561SB2751 [0,1,0,0,0,0|1,0,1]=3 89 B20R0.32083 C=CCNC(=O)CCCCCCCCCCCCCCC WXVL_AK00561SB2751 [0,1,0,0,0,0|1,0,1]=3 90 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2751 [0,1,0,0,0,0|1,0,1]=3 91 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2751 [0,1,0,0,0,0|1,0,1]=3 92 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2751 [0,1,0,0,0,0|1,0,0]=2 93 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2751 [0,1,0,0,0,0|1,0,0]=2 94 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2751 [0,1,0,0,0,0|1,0,0]=2 95 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2751 [0,1,0,0,0,0|1,0,0]=2 96 B20R0.32083 CCCCCCCCCCCCCCNC(=O)/C=C/CBr WXVL_AK2576SB0424 [0,1,0,0,0,0|2,0,1]=4 97 B20R0.32083 CCCCCCCCCCCCCCNC(=O)/C=C/CBr WXVL_AK2576SB0424 [0,1,0,0,0,0|2,0,1]=4 98 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCOC WXVL_AK2576SB0156 [0,1,0,0,0,0|2,0,0]=3 99 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCOC WXVL_AK2576SB0156 [0,1,0,0,0,0|2,0,0]=3 100 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCSC WXVL_AK2576SB0361 [0,1,0,0,0,0|2,0,0]=3 101 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCSC WXVL_AK2576SB0361 [0,1,0,0,0,0|2,0,0]=3 102 B20R0.32083 CCCCCCCCCCCCCCNC(=O)COCC WXVL_AK2576SB0091 [0,1,0,0,0,0|1,0,0]=2 103 B20R0.32083 CCCCCCCCCCCCCCNC(=O)COCC WXVL_AK2576SB0091 [0,1,0,0,0,0|1,0,0]=2 104 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CSCC WXVL_AK2576SB0002 [0,1,0,0,0,0|1,1,0]=3 105 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CSCC WXVL_AK2576SB0002 [0,1,0,0,0,0|1,1,0]=3 106 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK2576YV0092 [0,1,0,0,0,0|2,0,0]=3 107 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK2576YV0092 [0,1,0,0,0,0|2,0,0]=3 108 B20R0.32384 CCCCCCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1886SB3094 [0,1,0,0,0,0|1,0,1]=3 109 B20R0.32384 CCCCCCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1886SB3094 [0,1,0,0,0,0|1,0,1]=3 110 B20R0.32504 CCCCCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK4135SB4144 [0,1,0,0,0,0|1,0,1]=3 111 B20R0.32504 CCCCCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK4135SB4144 [0,1,0,0,0,0|1,0,1]=3 112 B20R0.32504 CCOC(=O)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB4144 [0,1,0,0,0,0|2,0,1]=4 113 B20R0.32504 CCOC(=O)C(=O)NCCCCCCCCCCCCO WXVL_AK3055SB4144 [0,1,0,0,0,0|2,0,1]=4 114 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CC1 WXVL_AK2576SB0038 [0,0,0,1,0,0|2,0,0]=3 115 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CC1 WXVL_AK2576SB0038 [0,0,0,1,0,0|2,0,0]=3 116 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [2,0,0,0,0,0|2,0,0]=4 117 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [2,0,0,0,0,0|2,0,0]=4 118 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [2,0,0,0,0,0|1,0,0]=3 119 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [2,0,0,0,0,0|1,0,0]=3 120 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [2,0,0,0,0,0|1,0,0]=3 121 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [2,0,0,0,0,0|1,0,0]=3 122 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [2,0,0,0,0,0|2,0,0]=4 123 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [2,0,0,0,0,0|2,0,0]=4 124 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [2,0,0,0,0,0|1,0,0]=3 125 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [2,0,0,0,0,0|1,0,0]=3 126 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [2,0,0,0,0,0|2,0,0]=4 127 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [2,0,0,0,0,0|2,0,0]=4 128 B17R0.250 CCCCCCCCCCCCNC(=O)NCC WXVL_AK00476YV0205 [2,0,0,0,0,0|2,0,0]=4 129 B17R0.250 CCCCCCCCCCCCNC(=O)NCC WXVL_AK00476YV0205 [2,0,0,0,0,0|2,0,0]=4 130 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [2,0,0,0,0,0|1,0,0]=3 131 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [2,0,0,0,0,0|1,0,0]=3 132 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [2,0,0,0,0,0|1,0,0]=3 133 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [2,0,0,0,0,0|1,0,0]=3 134 B19R0.35 CCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0577 [1,1,0,0,0,0|1,0,0]=3 135 B19R0.35 CCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0577 [1,1,0,0,0,0|1,0,0]=3 136 B19R0.35 CCCCCCCCCCCCCNC(=O)CC(C)C WXVL_AK4135SB0063 [1,1,0,0,0,0|2,0,0]=4 137 B19R0.35 CCCCCCCCCCCCCNC(=O)CC(C)C WXVL_AK4135SB0063 [1,1,0,0,0,0|2,0,0]=4 138 B19R0.35 CCCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK4135SB3643 [1,1,0,0,0,0|2,0,0]=4 139 B19R0.35 CCCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK4135SB3643 [1,1,0,0,0,0|2,0,0]=4 140 B19R0.3097 CCCCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1886SB4144 [1,1,0,0,0,0|1,0,1]=4 141 B19R0.3097 CCCCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1886SB4144 [1,1,0,0,0,0|1,0,1]=4 142 B19R0.23246 CCCCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0490 [1,1,0,0,0,0|1,0,1]=4 143 B19R0.23246 CCCCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0490 [1,1,0,0,0,0|1,0,1]=4 144 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(=O)CC WXVL_AK4135SB0344 [1,1,0,0,0,0|2,0,0]=4 145 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(=O)CC WXVL_AK4135SB0344 [1,1,0,0,0,0|2,0,0]=4 146 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)CC WXVL_AK4135SB0054 [1,1,0,0,0,0|2,0,0]=4 147 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)CC WXVL_AK4135SB0054 [1,1,0,0,0,0|2,0,0]=4 148 B19R0.25650 CCCCCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK4135SB3573 [1,1,0,0,0,0|2,0,0]=4 149 B19R0.25650 CCCCCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK4135SB3573 [1,1,0,0,0,0|2,0,0]=4 150 B19R0.25650 CCCCCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK4135SB00054 [1,1,0,0,0,0|2,0,0]=4 151 B19R0.25650 CCCCCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK4135SB00054 [1,1,0,0,0,0|2,0,0]=4 152 B19R0.26303 C=CCNC(=O)CCCCCCCCCCCCCC WXVL_AK00561SB0577 [1,1,0,0,0,0|1,0,1]=4 153 B19R0.26303 C=CCNC(=O)CCCCCCCCCCCCCC WXVL_AK00561SB0577 [1,1,0,0,0,0|1,0,1]=4 154 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0577 [1,1,0,0,0,0|1,0,1]=4 155 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0577 [1,1,0,0,0,0|1,0,1]=4 156 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0577 [1,1,0,0,0,0|1,0,0]=3 157 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0577 [1,1,0,0,0,0|1,0,0]=3 158 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0577 [1,1,0,0,0,0|1,0,0]=3 159 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0577 [1,1,0,0,0,0|1,0,0]=3 160 B19R0.26303 CCCCCCCCCCCCCNC(=O)CCOC WXVL_AK4135SB0156 [1,1,0,0,0,0|2,0,0]=4 161 B19R0.26303 CCCCCCCCCCCCCNC(=O)CCOC WXVL_AK4135SB0156 [1,1,0,0,0,0|2,0,0]=4 162 B19R0.26303 CCCCCCCCCCCCCNC(=O)CCSC WXVL_AK4135SB0361 [1,1,0,0,0,0|2,0,0]=4 163 B19R0.26303 CCCCCCCCCCCCCNC(=O)CCSC WXVL_AK4135SB0361 [1,1,0,0,0,0|2,0,0]=4 164 B19R0.26303 CCCCCCCCCCCCCNC(=O)COCC WXVL_AK4135SB0091 [1,1,0,0,0,0|1,0,0]=3 165 B19R0.26303 CCCCCCCCCCCCCNC(=O)COCC WXVL_AK4135SB0091 [1,1,0,0,0,0|1,0,0]=3 166 B19R0.26303 CCCCCCCCCCCCCNC(=O)CSCC WXVL_AK4135SB0002 [1,1,0,0,0,0|1,1,0]=4 167 B19R0.26303 CCCCCCCCCCCCCNC(=O)CSCC WXVL_AK4135SB0002 [1,1,0,0,0,0|1,1,0]=4 168 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK4135YV0092 [1,1,0,0,0,0|2,0,0]=4 169 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK4135YV0092 [1,1,0,0,0,0|2,0,0]=4 170 B19R0.26303 CCOCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0091 [1,1,0,0,0,0|2,0,0]=4 171 B19R0.26303 CCOCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0091 [1,1,0,0,0,0|2,0,0]=4 172 B19R0.65 CCCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0409 [1,1,0,0,0,0|1,0,1]=4 173 B19R0.65 CCCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0409 [1,1,0,0,0,0|1,0,1]=4 174 B19R0.148 C#CC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0338 [1,1,0,0,0,0|0,0,2]=4 175 B19R0.148 C#CC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0338 [1,1,0,0,0,0|0,0,2]=4 176 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [1,1,0,0,0,0|1,0,0]=3 177 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [1,1,0,0,0,0|1,0,0]=3 178 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [1,1,0,0,0,0|0,0,0]=2 179 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [1,1,0,0,0,0|0,0,0]=2 180 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CO WXVL_AK1866SB2706 [1,1,0,0,0,0|1,0,0]=3 181 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CO WXVL_AK1866SB2706 [1,1,0,0,0,0|1,0,0]=3 182 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB2751 [1,1,0,0,0,0|1,0,0]=3 183 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB2751 [1,1,0,0,0,0|1,0,0]=3 184 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK2576SB0051 [1,1,0,0,0,0|1,0,1]=4 185 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK2576SB0051 [1,1,0,0,0,0|1,0,1]=4 186 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C WXVL_AK2576SB0052 [1,1,0,0,0,0|1,0,0]=3 187 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C WXVL_AK2576SB0052 [1,1,0,0,0,0|1,0,0]=3 188 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)S WXVL_AK2576SB2708 [1,1,0,0,0,0|1,0,0]=3 189 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)S WXVL_AK2576SB2708 [1,1,0,0,0,0|1,0,0]=3 190 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(F)F WXVL_AK2576SB0079 [1,1,0,0,0,0|2,0,0]=4 191 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(F)F WXVL_AK2576SB0079 [1,1,0,0,0,0|2,0,0]=4 192 B19R0.153 CCCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK2576SB1085 [1,1,0,0,0,0|1,0,0]=3 193 B19R0.153 CCCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK2576SB1085 [1,1,0,0,0,0|1,0,0]=3 194 B19R0.3054 CCCCCCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0393 [1,1,0,0,0,0|1,0,1]=4 195 B19R0.3054 CCCCCCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0393 [1,1,0,0,0,0|1,0,1]=4 196 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1886SB2790 [1,1,0,0,0,0|1,0,1]=4 197 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1886SB2790 [1,1,0,0,0,0|1,0,1]=4 198 B19R0.7844 CCCCCCCCCCCCCCNS(=O)(=O)CC WXVL_AK2576HU0028 [1,1,0,0,0,0|2,0,0]=4 199 B19R0.7844 CCCCCCCCCCCCCCNS(=O)(=O)CC WXVL_AK2576HU0028 [1,1,0,0,0,0|2,0,0]=4 200 B19R0.23235 CCCCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0490 [1,1,0,0,0,0|1,0,1]=4 201 B19R0.23235 CCCCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0490 [1,1,0,0,0,0|1,0,1]=4 202 B19R0.23235 CCCCCCCCCNC(=O)CCCCC(=O)OC WXVL_AK1826SB1209 [1,1,0,0,0,0|1,0,1]=4 203 B19R0.23235 CCCCCCCCCNC(=O)CCCCC(=O)OC WXVL_AK1826SB1209 [1,1,0,0,0,0|1,0,1]=4 204 B21R0.85 CCCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2735 [0,2,0,0,0,0|1,0,0]=3 205 B21R0.85 CCCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2735 [0,2,0,0,0,0|1,0,0]=3 206 B21R0.85 CCCCCCCCCCCCCCCNC(=O)C=C(C)C WXVL_AK1866SB0342 [0,2,0,0,0,0|1,0,1]=4 207 B21R0.85 CCCCCCCCCCCCCCCNC(=O)C=C(C)C WXVL_AK1866SB0342 [0,2,0,0,0,0|1,0,1]=4 208 B21R0.85 CCCCCCCCCCCCCCCNC(=O)CC(C)C WXVL_AK1866SB0063 [0,2,0,0,0,0|1,0,0]=3 209 B21R0.85 CCCCCCCCCCCCCCCNC(=O)CC(C)C WXVL_AK1866SB0063 [0,2,0,0,0,0|1,0,0]=3 210 B21R0.85 CCCCCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK1866SB3643 [0,2,0,0,0,0|1,0,0]=3 211 B21R0.85 CCCCCCCCCCCCCCCNC(=O)CC(C)O WXVL_AK1866SB3643 [0,2,0,0,0,0|1,0,0]=3 212 B21R0.85 CCCCCCCCCCCCCCCNC(=O)CN(C)C WXVL_AK1866SB0085 [0,2,0,0,0,0|2,0,0]=4 213 B21R0.85 CCCCCCCCCCCCCCCNC(=O)CN(C)C WXVL_AK1866SB0085 [0,2,0,0,0,0|2,0,0]=4 214 B21R0.2907 C/C=C/C(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB0340 [0,2,0,0,0,0|1,0,1]=4 215 B21R0.2907 C/C=C/C(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB0340 [0,2,0,0,0,0|1,0,1]=4 216 B21R0.2907 CC#CC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB1240 [0,2,0,0,0,0|1,0,1]=4 217 B21R0.2907 CC#CC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB1240 [0,2,0,0,0,0|1,0,1]=4 218 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0773 [0,2,0,0,0,0|1,0,0]=3 219 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0773 [0,2,0,0,0,0|1,0,0]=3 220 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2294SB0073 [0,2,0,0,0,0|1,0,0]=3 221 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2294SB0073 [0,2,0,0,0,0|1,0,0]=3 222 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)COC WXVL_AK2294SB0090 [0,2,0,0,0,0|2,0,0]=4 223 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)COC WXVL_AK2294SB0090 [0,2,0,0,0,0|2,0,0]=4 224 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CSC WXVL_AK2294SB1267 [0,2,0,0,0,0|2,0,0]=4 225 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CSC WXVL_AK2294SB1267 [0,2,0,0,0,0|2,0,0]=4 226 B21R0.2973 C/C=C(\C)/C(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0343 [0,2,0,0,0,0|1,0,1]=4 227 B21R0.2973 C/C=C(\C)/C(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0343 [0,2,0,0,0,0|1,0,1]=4 228 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)C(=O)CC WXVL_AK1866SB0344 [0,2,0,0,0,0|1,0,0]=3 229 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)C(=O)CC WXVL_AK1866SB0344 [0,2,0,0,0,0|1,0,0]=3 230 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)C(C)CC WXVL_AK1866SB0054 [0,2,0,0,0,0|1,0,0]=3 231 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)C(C)CC WXVL_AK1866SB0054 [0,2,0,0,0,0|1,0,0]=3 232 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1866SB2926 [0,2,0,0,0,0|2,0,0]=4 233 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1866SB2926 [0,2,0,0,0,0|2,0,0]=4 234 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1866SB3573 [0,2,0,0,0,0|1,0,0]=3 235 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1866SB3573 [0,2,0,0,0,0|1,0,0]=3 236 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1866SB00054 [0,2,0,0,0,0|1,0,0]=3 237 B21R0.2973 CCCCCCCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1866SB00054 [0,2,0,0,0,0|1,0,0]=3 238 B21R0.9301 C#CCCC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB2189 [0,2,0,0,0,0|1,0,1]=4 239 B21R0.9301 C#CCCC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB2189 [0,2,0,0,0,0|1,0,1]=4 240 B21R0.9301 C=CCCC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB1035 [0,2,0,0,0,0|1,0,1]=4 241 B21R0.9301 C=CCCC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB1035 [0,2,0,0,0,0|1,0,1]=4 242 B21R0.9301 C=CCNC(=O)CCCCCCCCCCCCCCCC WXVL_AK00561SB2735 [0,2,0,0,0,0|1,0,1]=4 243 B21R0.9301 C=CCNC(=O)CCCCCCCCCCCCCCCC WXVL_AK00561SB2735 [0,2,0,0,0,0|1,0,1]=4 244 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2735 [0,2,0,0,0,0|1,0,1]=4 245 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2735 [0,2,0,0,0,0|1,0,1]=4 246 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2735 [0,2,0,0,0,0|1,0,0]=3 247 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2735 [0,2,0,0,0,0|1,0,0]=3 248 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2735 [0,2,0,0,0,0|1,0,0]=3 249 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2735 [0,2,0,0,0,0|1,0,0]=3 250 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1866SB0424 [0,2,0,0,0,0|1,0,1]=4 251 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1866SB0424 [0,2,0,0,0,0|1,0,1]=4 252 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCOC WXVL_AK1866SB0156 [0,2,0,0,0,0|1,0,0]=3 253 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCOC WXVL_AK1866SB0156 [0,2,0,0,0,0|1,0,0]=3 254 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCSC WXVL_AK1866SB0361 [0,2,0,0,0,0|1,0,0]=3 255 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCSC WXVL_AK1866SB0361 [0,2,0,0,0,0|1,0,0]=3 256 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)COCC WXVL_AK1866SB0091 [0,2,0,0,0,0|0,0,0]=2 257 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)COCC WXVL_AK1866SB0091 [0,2,0,0,0,0|0,0,0]=2 258 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CSCC WXVL_AK1866SB0002 [0,2,0,0,0,0|0,1,0]=3 259 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CSCC WXVL_AK1866SB0002 [0,2,0,0,0,0|0,1,0]=3 260 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK1866YV0092 [0,2,0,0,0,0|1,0,0]=3 261 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK1866YV0092 [0,2,0,0,0,0|1,0,0]=3 262 B21R0.18401 CCCCCCCCCCCCNC(=O)NCC(=O)OCC WXVL_AK1886YV0151 [0,2,0,0,0,0|1,0,1]=4 263 B21R0.18401 CCCCCCCCCCCCNC(=O)NCC(=O)OCC WXVL_AK1886YV0151 [0,2,0,0,0,0|1,0,1]=4 264 B21R0.19193 CCCCCCCCNC(=O)NCCCCCC(=O)OCC WXVL_AK1818YV0146 [0,2,0,0,0,0|1,0,1]=4 265 B21R0.19193 CCCCCCCCNC(=O)NCCCCCC(=O)OCC WXVL_AK1818YV0146 [0,2,0,0,0,0|1,0,1]=4 266 B21R0.25387 CCCCCCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0547 [0,2,0,0,0,0|0,0,1]=3 267 B21R0.25387 CCCCCCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0547 [0,2,0,0,0,0|0,0,1]=3 268 B21R0.25387 CCOC(=O)CCNC(=O)CCCCCCCCCCCBr WXVL_AK0465SB0603 [0,2,0,0,0,0|1,0,1]=4 269 B21R0.25387 CCOC(=O)CCNC(=O)CCCCCCCCCCCBr WXVL_AK0465SB0603 [0,2,0,0,0,0|1,0,1]=4 270 B21R0.36262 CCCCCCCCCCCCCNC(=O)CC(=O)OCC WXVL_AK4135SB3094 [0,2,0,0,0,0|0,0,1]=3 271 B21R0.36262 CCCCCCCCCCCCCNC(=O)CC(=O)OCC WXVL_AK4135SB3094 [0,2,0,0,0,0|0,0,1]=3 272 B21R0.36262 CCOC(=O)CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB3094 [0,2,0,0,0,0|1,0,1]=4 273 B21R0.36262 CCOC(=O)CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB3094 [0,2,0,0,0,0|1,0,1]=4 274 B21R0.36394 CC/C=C(\C)/C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0037 [0,2,0,0,0,0|2,0,0]=4 275 B21R0.36394 CC/C=C(\C)/C(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0037 [0,2,0,0,0,0|2,0,0]=4 276 B21R0.36394 CCCCCCCCCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB2751 [0,2,0,0,0,0|1,0,1]=4 277 B21R0.36394 CCCCCCCCCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB2751 [0,2,0,0,0,0|1,0,1]=4 278 B21R0.36394 CCCCCCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB2751 [0,2,0,0,0,0|1,0,0]=3 279 B21R0.36394 CCCCCCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB2751 [0,2,0,0,0,0|1,0,0]=3 280 B21R0.36394 CCCCCCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK2576SB4144 [0,2,0,0,0,0|0,0,1]=3 281 B21R0.36394 CCCCCCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK2576SB4144 [0,2,0,0,0,0|0,0,1]=3 282 B21R0.36394 CCCCCCCCCCCCCCNC(=O)C(C)CCC WXVL_AK2576SB0352 [0,2,0,0,0,0|2,0,0]=4 283 B21R0.36394 CCCCCCCCCCCCCCNC(=O)C(C)CCC WXVL_AK2576SB0352 [0,2,0,0,0,0|2,0,0]=4 284 B21R0.36394 CCCCCCCCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK2576SB3627 [0,2,0,0,0,0|2,0,0]=4 285 B21R0.36394 CCCCCCCCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK2576SB3627 [0,2,0,0,0,0|2,0,0]=4 286 B21R0.51876 CCCCCCCCCCCCCCCNS(=O)(=O)CCC WXVL_AK1866HU0030 [0,2,0,0,0,0|2,0,0]=4 287 B21R0.51876 CCCCCCCCCCCCCCCNS(=O)(=O)CCC WXVL_AK1866HU0030 [0,2,0,0,0,0|2,0,0]=4 288 B21R0.2970 CCCCCCCCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB2751 [0,2,0,0,0,0|1,0,0]=3 289 B21R0.2970 CCCCCCCCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB2751 [0,2,0,0,0,0|1,0,0]=3 290 B21R0.2970 CCCCCCCCCCCCCCNC(=O)C(=O)C(C)C WXVL_AK2576SB2578 [0,2,0,0,0,0|2,0,0]=4 291 B21R0.2970 CCCCCCCCCCCCCCNC(=O)C(=O)C(C)C WXVL_AK2576SB2578 [0,2,0,0,0,0|2,0,0]=4 292 B21R0.2970 CCCCCCCCCCCCCCNC(=O)C(O)C(C)C WXVL_AK2576SB1147 [0,2,0,0,0,0|2,0,0]=4 293 B21R0.2970 CCCCCCCCCCCCCCNC(=O)C(O)C(C)C WXVL_AK2576SB1147 [0,2,0,0,0,0|2,0,0]=4 294 B21R0.10550 CCCCCCCCCCCCCCNC(=O)C(C)(C)CC WXVL_AK2576SB0355 [0,2,0,0,0,0|2,0,0]=4 295 B21R0.10550 CCCCCCCCCCCCCCNC(=O)C(C)(C)CC WXVL_AK2576SB0355 [0,2,0,0,0,0|2,0,0]=4 296 B21R0.10550 CCCCCCCCCCCCCCNC(=O)C(C)(O)CC WXVL_AK2576SB3009 [0,2,0,0,0,0|2,0,0]=4 297 B21R0.10550 CCCCCCCCCCCCCCNC(=O)C(C)(O)CC WXVL_AK2576SB3009 [0,2,0,0,0,0|2,0,0]=4 298 B21R0.36396 CCCCCCCCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB2751 [0,2,0,0,0,0|1,0,0]=3 299 B21R0.36396 CCCCCCCCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB2751 [0,2,0,0,0,0|1,0,0]=3 300 B21R0.36396 CCCCCCCCCCCCCCNC(=O)C(CC)CC WXVL_AK2576SB0055 [0,2,0,0,0,0|2,0,0]=4 301 B21R0.36396 CCCCCCCCCCCCCCNC(=O)C(CC)CC WXVL_AK2576SB0055 [0,2,0,0,0,0|2,0,0]=4 302 B21R0.36393 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCC WXVL_AK00735SB2751 [0,2,0,0,0,0|1,0,0]=3 303 B21R0.36393 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCC WXVL_AK00735SB2751 [0,2,0,0,0,0|1,0,0]=3 304 B21R0.36393 C=CC(C)NC(=O)CCCCCCCCCCCCCCC WXVL_AK00769SB2751 [0,2,0,0,0,0|1,0,0]=3 305 B21R0.36393 C=CC(C)NC(=O)CCCCCCCCCCCCCCC WXVL_AK00769SB2751 [0,2,0,0,0,0|1,0,0]=3 306 B21R0.36393 CCCCCCCCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB2751 [0,2,0,0,0,0|1,0,0]=3 307 B21R0.36393 CCCCCCCCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB2751 [0,2,0,0,0,0|1,0,0]=3 308 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2751 [0,2,0,0,0,0|1,0,0]=3 309 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2751 [0,2,0,0,0,0|1,0,0]=3 310 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB2751 [0,2,0,0,0,0|1,0,0]=3 311 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB2751 [0,2,0,0,0,0|1,0,0]=3 312 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB2751 [0,2,0,0,0,0|1,0,0]=3 313 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB2751 [0,2,0,0,0,0|1,0,0]=3 314 B21R0.36393 CCCCCCCCCCCCCCNC(=O)CC(C)CC WXVL_AK2576SB0353 [0,2,0,0,0,0|2,0,0]=4 315 B21R0.36393 CCCCCCCCCCCCCCNC(=O)CC(C)CC WXVL_AK2576SB0353 [0,2,0,0,0,0|2,0,0]=4 316 B21R0.36393 CCCCCCCCCCCCCCNC(=O)CC(O)CC WXVL_AK2576SB4092 [0,2,0,0,0,0|2,0,0]=4 317 B21R0.36393 CCCCCCCCCCCCCCNC(=O)CC(O)CC WXVL_AK2576SB4092 [0,2,0,0,0,0|2,0,0]=4 318 B21R0.36393 CCCCCCCCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK2576SB8650 [0,2,0,0,0,0|2,0,0]=4 319 B21R0.36393 CCCCCCCCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK2576SB8650 [0,2,0,0,0,0|2,0,0]=4 320 B21R0.36405 CCCCCCCCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB2751 [0,2,0,0,0,0|1,0,0]=3 321 B21R0.36405 CCCCCCCCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB2751 [0,2,0,0,0,0|1,0,0]=3 322 B21R0.36405 CCCCCCCCCCCCCCNC(=O)CC(C)(C)C WXVL_AK2576SB0062 [0,2,0,0,0,0|2,0,0]=4 323 B21R0.36405 CCCCCCCCCCCCCCNC(=O)CC(C)(C)C WXVL_AK2576SB0062 [0,2,0,0,0,0|2,0,0]=4 324 B21R0.36405 CCCCCCCCCCCCCCNC(=O)CC(C)(C)O WXVL_AK2576SB0163 [0,2,0,0,0,0|2,0,0]=4 325 B21R0.36405 CCCCCCCCCCCCCCNC(=O)CC(C)(C)O WXVL_AK2576SB0163 [0,2,0,0,0,0|2,0,0]=4 326 B21R0.2971 C#CCCCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2709 [0,2,0,0,0,0|2,0,0]=4 327 B21R0.2971 C#CCCCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2709 [0,2,0,0,0,0|2,0,0]=4 328 B21R0.2971 C#CCCNC(=O)CCCCCCCCCCCCCCC WXVL_AK3109SB2751 [0,2,0,0,0,0|1,0,0]=3 329 B21R0.2971 C#CCCNC(=O)CCCCCCCCCCCCCCC WXVL_AK3109SB2751 [0,2,0,0,0,0|1,0,0]=3 330 B21R0.2971 C=CCCCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2920 [0,2,0,0,0,0|2,0,0]=4 331 B21R0.2971 C=CCCCC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB2920 [0,2,0,0,0,0|2,0,0]=4 332 B21R0.2971 C=CCCNC(=O)CCCCCCCCCCCCCCC WXVL_AK00138SB2751 [0,2,0,0,0,0|1,0,0]=3 333 B21R0.2971 C=CCCNC(=O)CCCCCCCCCCCCCCC WXVL_AK00138SB2751 [0,2,0,0,0,0|1,0,0]=3 334 B21R0.2971 CC/C=C/CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0349 [0,2,0,0,0,0|2,0,0]=4 335 B21R0.2971 CC/C=C/CC(=O)NCCCCCCCCCCCCCC WXVL_AK2576SB0349 [0,2,0,0,0,0|2,0,0]=4 336 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB2751 [0,2,0,0,0,0|1,0,0]=3 337 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB2751 [0,2,0,0,0,0|1,0,0]=3 338 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2751 [0,2,0,0,0,0|1,0,0]=3 339 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2751 [0,2,0,0,0,0|1,0,0]=3 340 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2751 [0,2,0,0,0,0|1,0,0]=3 341 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2751 [0,2,0,0,0,0|1,0,0]=3 342 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB2751 [0,2,0,0,0,0|1,0,0]=3 343 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB2751 [0,2,0,0,0,0|1,0,0]=3 344 B21R0.2971 CCCCCCCCCCCCCCNC(=O)/C=C/OCC WXVL_AK2576SB3226 [0,2,0,0,0,0|1,0,0]=3 345 B21R0.2971 CCCCCCCCCCCCCCNC(=O)/C=C/OCC WXVL_AK2576SB3226 [0,2,0,0,0,0|1,0,0]=3 346 B21R0.2971 CCCCCCCCCCCCCCNC(=O)CCCCBr WXVL_AK2576SB3153 [0,2,0,0,0,0|2,0,0]=4 347 B21R0.2971 CCCCCCCCCCCCCCNC(=O)CCCCBr WXVL_AK2576SB3153 [0,2,0,0,0,0|2,0,0]=4 348 B21R0.2971 CCCCCCCCCCCCCCNC(=O)CCCCCl WXVL_AK2576SB0379 [0,2,0,0,0,0|2,0,0]=4 349 B21R0.2971 CCCCCCCCCCCCCCNC(=O)CCCCCl WXVL_AK2576SB0379 [0,2,0,0,0,0|2,0,0]=4 350 B21R0.2971 CCCCCCCCCCCCCCNC(=O)NCCCCl WXVL_AK2576YV0130 [0,2,0,0,0,0|2,0,0]=4 351 B21R0.2971 CCCCCCCCCCCCCCNC(=O)NCCCCl WXVL_AK2576YV0130 [0,2,0,0,0,0|2,0,0]=4 352 B21R0.36773 C=C(C)CNC(=O)CCCCCCCCCCCCCCC WXVL_AK0761SB2751 [0,2,0,0,0,0|1,0,0]=3 353 B21R0.36773 C=C(C)CNC(=O)CCCCCCCCCCCCCCC WXVL_AK0761SB2751 [0,2,0,0,0,0|1,0,0]=3 354 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2751 [0,2,0,0,0,0|1,0,1]=4 355 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2751 [0,2,0,0,0,0|1,0,1]=4 356 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB2751 [0,2,0,0,0,0|1,0,0]=3 357 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB2751 [0,2,0,0,0,0|1,0,0]=3 358 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB2751 [0,2,0,0,0,0|1,0,0]=3 359 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB2751 [0,2,0,0,0,0|1,0,0]=3 360 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB2751 [0,2,0,0,0,0|1,0,0]=3 361 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB2751 [0,2,0,0,0,0|1,0,0]=3 362 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2751 [0,2,0,0,0,0|1,0,0]=3 363 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2751 [0,2,0,0,0,0|1,0,0]=3 364 B21R0.36773 CCCCCCCCCCCCCCNC(=O)/C=C/C(C)C WXVL_AK2576SB0036 [0,2,0,0,0,0|2,0,0]=4 365 B21R0.36773 CCCCCCCCCCCCCCNC(=O)/C=C/C(C)C WXVL_AK2576SB0036 [0,2,0,0,0,0|2,0,0]=4 366 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK2576SB0072 [0,2,0,0,0,0|2,0,0]=4 367 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK2576SB0072 [0,2,0,0,0,0|2,0,0]=4 368 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCC(C)C WXVL_AK2576SB0354 [0,2,0,0,0,0|2,0,0]=4 369 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCC(C)C WXVL_AK2576SB0354 [0,2,0,0,0,0|2,0,0]=4 370 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCN(C)C WXVL_AK2576SB00052 [0,2,0,0,0,0|2,0,0]=4 371 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCN(C)C WXVL_AK2576SB00052 [0,2,0,0,0,0|2,0,0]=4 372 B21R0.36773 CCCCCCCCCCCCCCNC(=O)COC(=O)C WXVL_AK2576SB2824 [0,2,0,0,0,0|1,0,1]=4 373 B21R0.36773 CCCCCCCCCCCCCCNC(=O)COC(=O)C WXVL_AK2576SB2824 [0,2,0,0,0,0|1,0,1]=4 374 B21R0.36773 CCCCCCCCCCCCCCNC(=O)COC(C)C WXVL_AK2576SB0213 [0,2,0,0,0,0|1,0,0]=3 375 B21R0.36773 CCCCCCCCCCCCCCNC(=O)COC(C)C WXVL_AK2576SB0213 [0,2,0,0,0,0|1,0,0]=3 376 B21R0.448747 CCCCCCCCCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK1886HU0462 [0,2,0,0,0,0|2,0,0]=4 377 B21R0.448747 CCCCCCCCCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK1886HU0462 [0,2,0,0,0,0|2,0,0]=4 378 B21R0.36952 CCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0547 [0,2,0,0,0,0|1,0,1]=4 379 B21R0.36952 CCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0547 [0,2,0,0,0,0|1,0,1]=4 380 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 WXVL_AK4135SB0038 [1,0,0,1,0,0|2,0,0]=4 381 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 WXVL_AK4135SB0038 [1,0,0,1,0,0|2,0,0]=4 382 B21R1.633116 CCCCCCCCCCCCCCCNC(=O)C1CC1 WXVL_AK1866SB0038 [0,1,0,1,0,0|1,0,0]=3 383 B21R1.633116 CCCCCCCCCCCCCCCNC(=O)C1CC1 WXVL_AK1866SB0038 [0,1,0,1,0,0|1,0,0]=3 384 B21R1.314314 CCCCCCCC(=O)N1CCCCC1CC(=O)OCC WXVL_AN8323SB0393 [0,1,0,1,0,0|1,0,1]=4 385 B21R1.220325 CCCCCCCCC(=O)N1CCCC[C@H]1C(=O)OCC WXVL_AN3118SB0409 [0,1,0,1,0,0|1,0,1]=4 386 B21R1.695370 CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)OCC WXVL_AN3552SB0447 [0,1,0,1,0,0|1,0,1]=4 387 B21R1.695370 CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)OCC WXVL_AN3552SB0447 [0,1,0,1,0,0|1,0,1]=4 388 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCC1 WXVL_AK2576SB0042 [0,1,0,1,0,0|2,0,0]=4 389 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCC1 WXVL_AK2576SB0042 [0,1,0,1,0,0|2,0,0]=4 390 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)Br WXVL_AK2576SB5517 [0,1,0,1,0,0|2,0,0]=4 391 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)Br WXVL_AK2576SB5517 [0,1,0,1,0,0|2,0,0]=4 392 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)C WXVL_AK2576SB0040 [0,1,0,1,0,0|2,0,0]=4 393 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)C WXVL_AK2576SB0040 [0,1,0,1,0,0|2,0,0]=4 394 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)F WXVL_AK2576SB0218 [0,1,0,1,0,0|2,0,0]=4 395 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)F WXVL_AK2576SB0218 [0,1,0,1,0,0|2,0,0]=4 396 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)O WXVL_AK2576SB2965 [0,1,0,1,0,0|2,0,0]=4 397 B21R1.156305 CCCCCCCCCCCCCCNC(=O)C1(CC1)O WXVL_AK2576SB2965 [0,1,0,1,0,0|2,0,0]=4 398 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)C1CC1C WXVL_AK2576SB0041 [0,1,0,1,0,0|2,0,0]=4 399 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)C1CC1C WXVL_AK2576SB0041 [0,1,0,1,0,0|2,0,0]=4 400 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK2576SB1245 [0,1,0,1,0,0|2,0,0]=4 401 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK2576SB1245 [0,1,0,1,0,0|2,0,0]=4 402 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK2576SB00019 [0,1,0,1,0,0|2,0,0]=4 403 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK2576SB00019 [0,1,0,1,0,0|2,0,0]=4 404 B21R1.156306 CCCCCCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB2751 [0,1,0,1,0,0|1,0,0]=3 405 B21R1.156306 CCCCCCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB2751 [0,1,0,1,0,0|1,0,0]=3 406 B21R1.156306 CCCCCCCCCCCCCCNC(=O)CC1CC1 WXVL_AK2576SB0155 [0,1,0,1,0,0|2,0,0]=4 407 B21R1.156306 CCCCCCCCCCCCCCNC(=O)CC1CC1 WXVL_AK2576SB0155 [0,1,0,1,0,0|2,0,0]=4 408 B21R1.228 CCCCCCCCCCCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0547 [0,1,0,1,0,0|1,0,1]=4