0 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [0,0,1,0,0,0|1,0,0]=2 1 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [0,0,1,0,0,0|1,0,0]=2 2 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [0,0,1,0,0,0|2,0,0]=3 3 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [0,0,1,0,0,0|2,0,0]=3 4 B15R0.366 C#CCC(=O)NCCCCCCCCCC WXVL_AK1845SB3070 [0,0,1,0,0,0|1,0,2]=4 5 B15R0.366 C#CCC(=O)NCCCCCCCCCC WXVL_AK1845SB3070 [0,0,1,0,0,0|1,0,2]=4 6 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,0,1,0,0,0|1,0,2]=4 7 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,0,1,0,0,0|1,0,2]=4 8 B15R0.366 C=CCC(=O)NCCCCCCCCCC WXVL_AK1845SB2732 [0,0,1,0,0,0|1,0,2]=4 9 B15R0.366 C=CCC(=O)NCCCCCCCCCC WXVL_AK1845SB2732 [0,0,1,0,0,0|1,0,2]=4 10 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,0,1,0,0,0|1,0,2]=4 11 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,0,1,0,0,0|1,0,2]=4 12 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,0,1,0,0,0|2,0,0]=3 13 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,0,1,0,0,0|2,0,0]=3 14 B15R0.366 CCCCCCCCCCNC(=O)CC#N WXVL_AK1845SB0057 [0,0,1,0,0,0|2,0,1]=4 15 B15R0.366 CCCCCCCCCCNC(=O)CC#N WXVL_AK1845SB0057 [0,0,1,0,0,0|2,0,1]=4 16 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,0,1,0,0,0|1,0,0]=2 17 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,0,1,0,0,0|1,0,0]=2 18 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,0,1,0,0,0|2,0,0]=3 19 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,0,1,0,0,0|2,0,0]=3 20 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,0,1,0,0,0|2,0,0]=3 21 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,0,1,0,0,0|2,0,0]=3 22 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [1,0,1,0,0,0|1,0,0]=3 23 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [1,0,1,0,0,0|1,0,0]=3 24 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [1,0,1,0,0,0|2,0,0]=4 25 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [1,0,1,0,0,0|2,0,0]=4 26 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [1,0,1,0,0,0|2,0,0]=4 27 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [1,0,1,0,0,0|2,0,0]=4 28 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [1,0,1,0,0,0|1,0,0]=3 29 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [1,0,1,0,0,0|1,0,0]=3 30 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [1,0,1,0,0,0|2,0,0]=4 31 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [1,0,1,0,0,0|2,0,0]=4 32 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [1,0,1,0,0,0|2,0,0]=4 33 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [1,0,1,0,0,0|2,0,0]=4 34 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [1,0,1,0,0,0|1,0,0]=3 35 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [1,0,1,0,0,0|1,0,0]=3 36 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [1,0,1,0,0,0|1,0,0]=3 37 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [1,0,1,0,0,0|1,0,0]=3 38 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [1,0,1,0,0,0|2,0,0]=4 39 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [1,0,1,0,0,0|2,0,0]=4 40 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [1,0,1,0,0,0|2,0,0]=4 41 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [1,0,1,0,0,0|2,0,0]=4 42 B16R0.221 C#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB0338 [0,1,1,0,0,0|2,0,0]=4 43 B16R0.221 C#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB0338 [0,1,1,0,0,0|2,0,0]=4 44 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [0,1,1,0,0,0|1,0,0]=3 45 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [0,1,1,0,0,0|1,0,0]=3 46 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [0,1,1,0,0,0|2,0,0]=4 47 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [0,1,1,0,0,0|2,0,0]=4 48 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [0,1,1,0,0,0|1,0,0]=3 49 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [0,1,1,0,0,0|1,0,0]=3 50 B16R0.221 CCCCCCCCCCCCNC(=O)NC WXVL_AK00442YV0205 [0,1,1,0,0,0|2,0,0]=4 51 B16R0.221 CCCCCCCCCCCCNC(=O)NC WXVL_AK00442YV0205 [0,1,1,0,0,0|2,0,0]=4 52 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,1,1,0,0,0|2,0,0]=4 53 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,1,1,0,0,0|2,0,0]=4 54 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,1,1,0,0,0|1,0,0]=3 55 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,1,1,0,0,0|1,0,0]=3 56 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,1,1,0,0,0|1,0,0]=3 57 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,1,1,0,0,0|1,0,0]=3 58 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [0,1,1,0,0,0|1,0,0]=3 59 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [0,1,1,0,0,0|1,0,0]=3 60 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,1,1,0,0,0|2,0,0]=4 61 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,1,1,0,0,0|2,0,0]=4 62 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,1,1,0,0,0|2,0,0]=4 63 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,1,1,0,0,0|2,0,0]=4 64 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,1,1,0,0,0|2,0,0]=4 65 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,1,1,0,0,0|2,0,0]=4 66 B16R0.61 CSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1267 [0,1,1,0,0,0|2,0,0]=4 67 B16R0.61 CSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1267 [0,1,1,0,0,0|2,0,0]=4 68 B16R0.70 CCCCCCCCCCNC(=O)C(=O)CC WXVL_AK1845SB0344 [0,1,1,0,0,0|1,0,1]=4 69 B16R0.70 CCCCCCCCCCNC(=O)C(=O)CC WXVL_AK1845SB0344 [0,1,1,0,0,0|1,0,1]=4 70 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC WXVL_AK1845SB0054 [0,1,1,0,0,0|1,0,0]=3 71 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC WXVL_AK1845SB0054 [0,1,1,0,0,0|1,0,0]=3 72 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1845SB2926 [0,1,1,0,0,0|2,0,0]=4 73 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1845SB2926 [0,1,1,0,0,0|2,0,0]=4 74 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1845SB3573 [0,1,1,0,0,0|1,0,0]=3 75 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1845SB3573 [0,1,1,0,0,0|1,0,0]=3 76 B16R0.70 CCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1845SB00054 [0,1,1,0,0,0|1,0,0]=3 77 B16R0.70 CCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1845SB00054 [0,1,1,0,0,0|1,0,0]=3 78 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [0,1,1,0,0,0|1,0,1]=4 79 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [0,1,1,0,0,0|1,0,1]=4 80 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [0,1,1,0,0,0|1,0,1]=4 81 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [0,1,1,0,0,0|1,0,1]=4 82 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [0,1,1,0,0,0|1,0,0]=3 83 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [0,1,1,0,0,0|1,0,0]=3 84 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [0,1,1,0,0,0|2,0,0]=4 85 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [0,1,1,0,0,0|2,0,0]=4 86 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [0,1,1,0,0,0|1,0,0]=3 87 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [0,1,1,0,0,0|1,0,0]=3 88 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [0,1,1,0,0,0|1,0,0]=3 89 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [0,1,1,0,0,0|1,0,0]=3 90 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [0,1,1,0,0,0|1,0,0]=3 91 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [0,1,1,0,0,0|1,0,0]=3 92 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [0,1,1,0,0,0|1,0,0]=3 93 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [0,1,1,0,0,0|1,0,0]=3 94 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [0,1,1,0,0,0|2,0,0]=4 95 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [0,1,1,0,0,0|2,0,0]=4 96 B16R0.5308 CCCCCCCCCCNS(=O)(=O)CCC WXVL_AK1845HU0030 [0,1,1,0,0,0|2,0,0]=4 97 B16R0.5308 CCCCCCCCCCNS(=O)(=O)CCC WXVL_AK1845HU0030 [0,1,1,0,0,0|2,0,0]=4 98 B16R1.889 CCCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0073 [0,0,1,1,0,0|2,0,0]=4 99 B16R1.889 CCCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0073 [0,0,1,1,0,0|2,0,0]=4 100 B16R1.949 CCCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0073 [0,0,1,1,0,0|2,0,0]=4 101 B16R1.949 CCCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0073 [0,0,1,1,0,0|2,0,0]=4 102 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0073 [0,0,1,1,0,0|1,0,0]=3 103 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0073 [0,0,1,1,0,0|1,0,0]=3 104 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0090 [0,0,1,1,0,0|2,0,0]=4 105 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0090 [0,0,1,1,0,0|2,0,0]=4 106 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1267 [0,0,1,1,0,0|2,0,0]=4 107 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1267 [0,0,1,1,0,0|2,0,0]=4 108 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 WXVL_AK1845SB0038 [0,0,1,1,0,0|1,0,0]=3 109 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 WXVL_AK1845SB0038 [0,0,1,1,0,0|1,0,0]=3