0 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0773 [0,0,0,0,0,0|1,0,0]=1 1 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0773 [0,0,0,0,0,0|1,0,0]=1 2 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C WXVL_AK2294SB0150 [0,0,0,0,0,0|2,0,0]=2 3 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C WXVL_AK2294SB0150 [0,0,0,0,0,0|2,0,0]=2 4 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [1,0,0,0,0,0|1,0,0]=2 5 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2735 [1,0,0,0,0,0|1,0,0]=2 6 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [1,0,0,0,0,0|2,0,0]=3 7 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C WXVL_AK1866SB0150 [1,0,0,0,0,0|2,0,0]=3 8 B20R0.138 CCCCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0562 [0,1,0,0,0,0|2,0,1]=4 9 B20R0.138 CCCCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0562 [0,1,0,0,0,0|2,0,1]=4 10 B20R0.3034 C#CC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB0338 [0,1,0,0,0,0|2,0,0]=3 11 B20R0.3034 C#CC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB0338 [0,1,0,0,0,0|2,0,0]=3 12 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0773 [0,1,0,0,0,0|1,0,0]=2 13 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0773 [0,1,0,0,0,0|1,0,0]=2 14 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CC WXVL_AK2294SB0064 [0,1,0,0,0,0|2,0,0]=3 15 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CC WXVL_AK2294SB0064 [0,1,0,0,0,0|2,0,0]=3 16 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CO WXVL_AK2294SB2706 [0,1,0,0,0,0|1,0,0]=2 17 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CO WXVL_AK2294SB2706 [0,1,0,0,0,0|1,0,0]=2 18 B20R0.3037 CCCCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK1866SB0051 [0,1,0,0,0,0|2,0,1]=4 19 B20R0.3037 CCCCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK1866SB0051 [0,1,0,0,0,0|2,0,1]=4 20 B20R0.3037 CCCCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK1866SB0128 [0,1,0,0,0,0|2,0,1]=4 21 B20R0.3037 CCCCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK1866SB0128 [0,1,0,0,0,0|2,0,1]=4 22 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0577 [0,1,0,0,0,0|2,0,1]=4 23 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0577 [0,1,0,0,0,0|2,0,1]=4 24 B20R0.3041 CCCCCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK4135SB0072 [0,1,0,0,0,0|2,0,1]=4 25 B20R0.3041 CCCCCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK4135SB0072 [0,1,0,0,0,0|2,0,1]=4 26 B20R0.3041 CCCCCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK4135SB0358 [0,1,0,0,0,0|2,0,1]=4 27 B20R0.3041 CCCCCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK4135SB0358 [0,1,0,0,0,0|2,0,1]=4 28 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0634 [0,1,0,0,0,0|1,0,0]=2 29 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0634 [0,1,0,0,0,0|1,0,0]=2 30 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [2,0,0,0,0,0|1,0,0]=3 31 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [2,0,0,0,0,0|1,0,0]=3 32 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [2,0,0,0,0,0|2,0,0]=4 33 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [2,0,0,0,0,0|2,0,0]=4 34 B19R0.148 C#CC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0338 [1,1,0,0,0,0|2,0,0]=4 35 B19R0.148 C#CC(=O)NCCCCCCCCCCCCCCC WXVL_AK1866SB0338 [1,1,0,0,0,0|2,0,0]=4 36 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [1,1,0,0,0,0|1,0,0]=3 37 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [1,1,0,0,0,0|1,0,0]=3 38 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [1,1,0,0,0,0|2,0,0]=4 39 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [1,1,0,0,0,0|2,0,0]=4 40 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CO WXVL_AK1866SB2706 [1,1,0,0,0,0|1,0,0]=3 41 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CO WXVL_AK1866SB2706 [1,1,0,0,0,0|1,0,0]=3 42 B21R0.34 CCCCCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0577 [0,2,0,0,0,0|1,0,1]=4 43 B21R0.34 CCCCCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0577 [0,2,0,0,0,0|1,0,1]=4 44 B21R0.36393 CCCCCCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK2576SB2790 [0,2,0,0,0,0|1,0,1]=4 45 B21R0.36393 CCCCCCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK2576SB2790 [0,2,0,0,0,0|1,0,1]=4 46 B21R0.2907 C#CCC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB3070 [0,2,0,0,0,0|2,0,0]=4 47 B21R0.2907 C#CCC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB3070 [0,2,0,0,0,0|2,0,0]=4 48 B21R0.2907 C/C=C/C(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB0340 [0,2,0,0,0,0|2,0,0]=4 49 B21R0.2907 C/C=C/C(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB0340 [0,2,0,0,0,0|2,0,0]=4 50 B21R0.2907 C=CCC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB2732 [0,2,0,0,0,0|2,0,0]=4 51 B21R0.2907 C=CCC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB2732 [0,2,0,0,0,0|2,0,0]=4 52 B21R0.2907 CC#CC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB1240 [0,2,0,0,0,0|2,0,0]=4 53 B21R0.2907 CC#CC(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB1240 [0,2,0,0,0,0|2,0,0]=4 54 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0773 [0,2,0,0,0,0|1,0,0]=3 55 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0773 [0,2,0,0,0,0|1,0,0]=3 56 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CC#N WXVL_AK2294SB0057 [0,2,0,0,0,0|2,0,0]=4 57 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CC#N WXVL_AK2294SB0057 [0,2,0,0,0,0|2,0,0]=4 58 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2294SB0073 [0,2,0,0,0,0|2,0,0]=4 59 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2294SB0073 [0,2,0,0,0,0|2,0,0]=4 60 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)COC WXVL_AK2294SB0090 [0,2,0,0,0,0|1,0,0]=3 61 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)COC WXVL_AK2294SB0090 [0,2,0,0,0,0|1,0,0]=3 62 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CSC WXVL_AK2294SB1267 [0,2,0,0,0,0|1,1,0]=4 63 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CSC WXVL_AK2294SB1267 [0,2,0,0,0,0|1,1,0]=4 64 B21R0.2929 CCCCCCCCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0447 [0,2,0,0,0,0|1,0,1]=4 65 B21R0.2929 CCCCCCCCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0447 [0,2,0,0,0,0|1,0,1]=4 66 B21R0.18597 CCCCCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0490 [0,2,0,0,0,0|1,0,1]=4 67 B21R0.18597 CCCCCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0490 [0,2,0,0,0,0|1,0,1]=4 68 B21R0.18597 CCCCCCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK1826SB3124 [0,2,0,0,0,0|1,0,1]=4 69 B21R0.18597 CCCCCCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK1826SB3124 [0,2,0,0,0,0|1,0,1]=4 70 B21R0.25376 CCCCCCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0547 [0,2,0,0,0,0|1,0,1]=4 71 B21R0.25376 CCCCCCCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0547 [0,2,0,0,0,0|1,0,1]=4 72 B21R0.32104 CCCCCCCCCCCCCNC(=O)CCC(=O)OC WXVL_AK4135SB0069 [0,2,0,0,0,0|1,0,1]=4 73 B21R0.32104 CCCCCCCCCCCCCNC(=O)CCC(=O)OC WXVL_AK4135SB0069 [0,2,0,0,0,0|1,0,1]=4 74 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0634 [0,2,0,0,0,0|1,0,0]=3 75 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0634 [0,2,0,0,0,0|1,0,0]=3 76 B21R0.36769 C=C(F)C(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB1376 [0,2,0,0,0,0|2,0,0]=4 77 B21R0.36769 C=C(F)C(=O)NCCCCCCCCCCCCCCCC WXVL_AK2294SB1376 [0,2,0,0,0,0|2,0,0]=4 78 B21R0.36769 CCCCCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0773 [0,2,0,0,0,0|1,0,0]=3 79 B21R0.36769 CCCCCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0773 [0,2,0,0,0,0|1,0,0]=3 80 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK2294SB0051 [0,2,0,0,0,0|1,0,1]=4 81 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK2294SB0051 [0,2,0,0,0,0|1,0,1]=4 82 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK2294SB0128 [0,2,0,0,0,0|1,0,1]=4 83 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(=O)N WXVL_AK2294SB0128 [0,2,0,0,0,0|1,0,1]=4 84 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(C)C WXVL_AK2294SB0052 [0,2,0,0,0,0|2,0,0]=4 85 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(C)C WXVL_AK2294SB0052 [0,2,0,0,0,0|2,0,0]=4 86 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(C)S WXVL_AK2294SB2708 [0,2,0,0,0,0|1,1,0]=4 87 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(C)S WXVL_AK2294SB2708 [0,2,0,0,0,0|1,1,0]=4 88 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(F)F WXVL_AK2294SB0079 [0,2,0,0,0,0|2,0,0]=4 89 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(F)F WXVL_AK2294SB0079 [0,2,0,0,0,0|2,0,0]=4 90 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK2294SB1085 [0,2,0,0,0,0|1,0,0]=3 91 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK2294SB1085 [0,2,0,0,0,0|1,0,0]=3 92 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2751 [0,2,0,0,0,0|1,0,1]=4 93 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2751 [0,2,0,0,0,0|1,0,1]=4 94 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK2576SB0072 [0,2,0,0,0,0|1,0,1]=4 95 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK2576SB0072 [0,2,0,0,0,0|1,0,1]=4 96 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK2576SB0358 [0,2,0,0,0,0|1,0,1]=4 97 B21R0.36773 CCCCCCCCCCCCCCNC(=O)CCC(=O)N WXVL_AK2576SB0358 [0,2,0,0,0,0|1,0,1]=4 98 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB1377 [0,2,0,0,0,0|1,0,0]=3 99 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB1377 [0,2,0,0,0,0|1,0,0]=3 100 B21R0.81 CCCCCCCCCCCCCCCCCCNC(=O)C WXVL_AK1822SB0150 [0,2,0,0,0,0|1,0,0]=3 101 B21R0.81 CCCCCCCCCCCCCCCCCCNC(=O)C WXVL_AK1822SB0150 [0,2,0,0,0,0|1,0,0]=3