0 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2709 [0,0,0,0,0,0|2,0,2]=4 1 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2709 [0,0,0,0,0,0|2,0,2]=4 2 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC WXVL_AK3109SB2796 [0,0,0,0,0,0|1,0,2]=3 3 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC WXVL_AK3109SB2796 [0,0,0,0,0,0|1,0,2]=3 4 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2920 [0,0,0,0,0,0|2,0,2]=4 5 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2920 [0,0,0,0,0,0|2,0,2]=4 6 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC WXVL_AK00138SB2796 [0,0,0,0,0,0|1,0,2]=3 7 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC WXVL_AK00138SB2796 [0,0,0,0,0,0|1,0,2]=3 8 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC WXVL_AK1845SB0349 [0,0,0,0,0,0|2,0,2]=4 9 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC WXVL_AK1845SB0349 [0,0,0,0,0,0|2,0,2]=4 10 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB2796 [0,0,0,0,0,0|2,0,1]=3 11 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB2796 [0,0,0,0,0,0|2,0,1]=3 12 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2796 [0,0,0,0,0,0|1,0,0]=1 13 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2796 [0,0,0,0,0,0|1,0,0]=1 14 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2796 [0,0,0,0,0,0|2,0,0]=2 15 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2796 [0,0,0,0,0,0|2,0,0]=2 16 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB2796 [0,0,0,0,0,0|2,0,0]=2 17 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB2796 [0,0,0,0,0,0|2,0,0]=2 18 B17R0.3110 CCCCCCCCCCNC(=O)/C=C/OCC WXVL_AK1845SB3226 [0,0,0,0,0,0|3,0,1]=4 19 B17R0.3110 CCCCCCCCCCNC(=O)/C=C/OCC WXVL_AK1845SB3226 [0,0,0,0,0,0|3,0,1]=4 20 B17R0.3110 CCCCCCCCCCNC(=O)CCCCBr WXVL_AK1845SB3153 [0,0,0,0,0,0|3,0,0]=3 21 B17R0.3110 CCCCCCCCCCNC(=O)CCCCBr WXVL_AK1845SB3153 [0,0,0,0,0,0|3,0,0]=3 22 B17R0.3110 CCCCCCCCCCNC(=O)CCCCCl WXVL_AK1845SB0379 [0,0,0,0,0,0|3,0,0]=3 23 B17R0.3110 CCCCCCCCCCNC(=O)CCCCCl WXVL_AK1845SB0379 [0,0,0,0,0,0|3,0,0]=3 24 B17R0.3110 CCCCCCCCCCNC(=O)NCCCCl WXVL_AK1845YV0130 [0,0,0,0,0,0|3,0,0]=3 25 B17R0.3110 CCCCCCCCCCNC(=O)NCCCCl WXVL_AK1845YV0130 [0,0,0,0,0,0|3,0,0]=3 26 B16R0.68 C#CCCNC(=O)CCCCCCCCCC WXVL_AK3109SB0490 [1,0,0,0,0,0|1,0,2]=4 27 B16R0.68 C#CCCNC(=O)CCCCCCCCCC WXVL_AK3109SB0490 [1,0,0,0,0,0|1,0,2]=4 28 B16R0.68 C=CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0481 [1,0,0,0,0,0|1,0,2]=4 29 B16R0.68 C=CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0481 [1,0,0,0,0,0|1,0,2]=4 30 B16R0.68 C=CCCNC(=O)CCCCCCCCCC WXVL_AK00138SB0490 [1,0,0,0,0,0|1,0,2]=4 31 B16R0.68 C=CCCNC(=O)CCCCCCCCCC WXVL_AK00138SB0490 [1,0,0,0,0,0|1,0,2]=4 32 B16R0.68 CCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0490 [1,0,0,0,0,0|2,0,1]=4 33 B16R0.68 CCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0490 [1,0,0,0,0,0|2,0,1]=4 34 B16R0.68 CCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0490 [1,0,0,0,0,0|1,0,0]=2 35 B16R0.68 CCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0490 [1,0,0,0,0,0|1,0,0]=2 36 B16R0.68 CCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0490 [1,0,0,0,0,0|2,0,0]=3 37 B16R0.68 CCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0490 [1,0,0,0,0,0|2,0,0]=3 38 B16R0.68 CCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0490 [1,0,0,0,0,0|2,0,0]=3 39 B16R0.68 CCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0490 [1,0,0,0,0,0|2,0,0]=3 40 B16R0.68 CCCCCCCCCNC(=O)CCCCBr WXVL_AK1826SB3153 [1,0,0,0,0,0|3,0,0]=4 41 B16R0.68 CCCCCCCCCNC(=O)CCCCBr WXVL_AK1826SB3153 [1,0,0,0,0,0|3,0,0]=4 42 B16R0.68 CCCCCCCCCNC(=O)CCCCCl WXVL_AK1826SB0379 [1,0,0,0,0,0|3,0,0]=4 43 B16R0.68 CCCCCCCCCNC(=O)CCCCCl WXVL_AK1826SB0379 [1,0,0,0,0,0|3,0,0]=4 44 B16R0.68 CCCCCCCCCNC(=O)NCCCCl WXVL_AK1826YV0130 [1,0,0,0,0,0|3,0,0]=4 45 B16R0.68 CCCCCCCCCNC(=O)NCCCCl WXVL_AK1826YV0130 [1,0,0,0,0,0|3,0,0]=4 46 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [1,0,0,0,0,0|1,0,2]=4 47 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [1,0,0,0,0,0|1,0,2]=4 48 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [1,0,0,0,0,0|1,0,2]=4 49 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [1,0,0,0,0,0|1,0,2]=4 50 B16R0.661 C=CCNC(=O)CCCCCCCCCCC WXVL_AK00561SB2796 [1,0,0,0,0,0|1,0,2]=4 51 B16R0.661 C=CCNC(=O)CCCCCCCCCCC WXVL_AK00561SB2796 [1,0,0,0,0,0|1,0,2]=4 52 B16R0.661 CCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2796 [1,0,0,0,0,0|2,0,1]=4 53 B16R0.661 CCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2796 [1,0,0,0,0,0|2,0,1]=4 54 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [1,0,0,0,0,0|1,0,0]=2 55 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [1,0,0,0,0,0|1,0,0]=2 56 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [1,0,0,0,0,0|2,0,0]=3 57 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [1,0,0,0,0,0|2,0,0]=3 58 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [1,0,0,0,0,0|2,0,0]=3 59 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [1,0,0,0,0,0|2,0,0]=3 60 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [1,0,0,0,0,0|2,0,0]=3 61 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [1,0,0,0,0,0|2,0,0]=3 62 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [1,0,0,0,0,0|2,0,0]=3 63 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [1,0,0,0,0,0|2,0,0]=3 64 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [1,0,0,0,0,0|2,0,0]=3 65 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [1,0,0,0,0,0|2,0,0]=3 66 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [1,0,0,0,0,0|3,0,0]=4 67 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [1,0,0,0,0,0|3,0,0]=4 68 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB2796 [0,1,0,0,0,0|2,0,0]=3 69 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB2796 [0,1,0,0,0,0|2,0,0]=3 70 B18R0.45 CCCCCCCCCCCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB2796 [0,1,0,0,0,0|2,0,1]=4 71 B18R0.45 CCCCCCCCCCCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB2796 [0,1,0,0,0,0|2,0,1]=4 72 B18R0.45 CCCCCCCCCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2796 [0,1,0,0,0,0|1,0,0]=2 73 B18R0.45 CCCCCCCCCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2796 [0,1,0,0,0,0|1,0,0]=2 74 B18R0.45 CCCCCCCCCCCC(=O)N[C@@H](C)COC WXVL_AK0137SB2796 [0,1,0,0,0,0|2,0,0]=3 75 B18R0.45 CCCCCCCCCCCC(=O)N[C@@H](C)COC WXVL_AK0137SB2796 [0,1,0,0,0,0|2,0,0]=3 76 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)COC WXVL_AK00613SB2796 [0,1,0,0,0,0|2,0,0]=3 77 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)COC WXVL_AK00613SB2796 [0,1,0,0,0,0|2,0,0]=3 78 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB2796 [0,1,0,0,0,0|2,0,1]=4 79 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB2796 [0,1,0,0,0,0|2,0,1]=4 80 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C WXVL_AK0068SB2796 [0,1,0,0,0,0|1,0,0]=2 81 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C WXVL_AK0068SB2796 [0,1,0,0,0,0|1,0,0]=2 82 B18R0.233 CCCCCCCCCCCC(=O)NCCN(C)C WXVL_AK0058SB2796 [0,1,0,0,0,0|2,0,0]=3 83 B18R0.233 CCCCCCCCCCCC(=O)NCCN(C)C WXVL_AK0058SB2796 [0,1,0,0,0,0|2,0,0]=3 84 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C WXVL_AK1845SB1301 [0,1,0,0,0,0|2,0,0]=3 85 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C WXVL_AK1845SB1301 [0,1,0,0,0,0|2,0,0]=3 86 B18R0.233 CCCCCCCCCCNC(=O)CCCN(C)C WXVL_AK1845SB00055 [0,1,0,0,0,0|3,0,0]=4 87 B18R0.233 CCCCCCCCCCNC(=O)CCCN(C)C WXVL_AK1845SB00055 [0,1,0,0,0,0|3,0,0]=4 88 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC WXVL_AK00218SB2796 [0,1,0,0,0,0|1,0,1]=3 89 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC WXVL_AK00218SB2796 [0,1,0,0,0,0|1,0,1]=3 90 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB2796 [0,1,0,0,0,0|1,0,0]=2 91 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB2796 [0,1,0,0,0,0|1,0,0]=2 92 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB2796 [0,1,0,0,0,0|1,0,0]=2 93 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB2796 [0,1,0,0,0,0|1,0,0]=2 94 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB2796 [0,1,0,0,0,0|1,0,0]=2 95 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB2796 [0,1,0,0,0,0|1,0,0]=2 96 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB2796 [0,1,0,0,0,0|1,0,0]=2 97 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB2796 [0,1,0,0,0,0|1,0,0]=2 98 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB2796 [0,1,0,0,0,0|1,0,0]=2 99 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB2796 [0,1,0,0,0,0|1,0,0]=2 100 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCBr WXVL_AK1845SB2192 [0,1,0,0,0,0|2,0,0]=3 101 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCBr WXVL_AK1845SB2192 [0,1,0,0,0,0|2,0,0]=3 102 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO WXVL_AK1845SB2973 [0,1,0,0,0,0|2,0,0]=3 103 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO WXVL_AK1845SB2973 [0,1,0,0,0,0|2,0,0]=3 104 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC WXVL_AK1845SB0159 [0,1,0,0,0,0|2,0,0]=3 105 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC WXVL_AK1845SB0159 [0,1,0,0,0,0|2,0,0]=3 106 B18R0.7795 CCCCCCCCCCCC(=O)NCC(=O)NC WXVL_AK1222SB2796 [0,1,0,0,0,0|2,0,1]=4 107 B18R0.7795 CCCCCCCCCCCC(=O)NCC(=O)NC WXVL_AK1222SB2796 [0,1,0,0,0,0|2,0,1]=4 108 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB2796 [0,1,0,0,0,0|2,0,0]=3 109 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB2796 [0,1,0,0,0,0|2,0,0]=3 110 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB2796 [0,1,0,0,0,0|2,0,0]=3 111 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB2796 [0,1,0,0,0,0|2,0,0]=3 112 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB2796 [0,1,0,0,0,0|2,0,0]=3 113 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB2796 [0,1,0,0,0,0|2,0,0]=3 114 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCOC WXVL_AN0085SB2796 [0,1,0,0,0,0|2,0,0]=3 115 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCOC WXVL_AN0085SB2796 [0,1,0,0,0,0|2,0,0]=3 116 B18R0.7796 CCCCCCCCCCNC(=O)C(O)CCCC WXVL_AK1845SB3429 [0,1,0,0,0,0|2,0,0]=3 117 B18R0.7796 CCCCCCCCCCNC(=O)C(O)CCCC WXVL_AK1845SB3429 [0,1,0,0,0,0|2,0,0]=3 118 B18R0.19788 C#CCCNC(=O)CCCCCCCCCCCBr WXVL_AK3109SB0603 [0,1,0,0,0,0|1,0,2]=4 119 B18R0.19788 C#CCCNC(=O)CCCCCCCCCCCBr WXVL_AK3109SB0603 [0,1,0,0,0,0|1,0,2]=4 120 B18R0.19788 C#CCCNC(=O)CCCCCCCCCCCC WXVL_AK3109SB0547 [0,1,0,0,0,0|1,0,2]=4 121 B18R0.19788 C#CCCNC(=O)CCCCCCCCCCCC WXVL_AK3109SB0547 [0,1,0,0,0,0|1,0,2]=4 122 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCBr WXVL_AK00138SB0603 [0,1,0,0,0,0|1,0,2]=4 123 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCBr WXVL_AK00138SB0603 [0,1,0,0,0,0|1,0,2]=4 124 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC WXVL_AK00138SB0547 [0,1,0,0,0,0|1,0,2]=4 125 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC WXVL_AK00138SB0547 [0,1,0,0,0,0|1,0,2]=4 126 B18R0.19788 CCCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0547 [0,1,0,0,0,0|2,0,1]=4 127 B18R0.19788 CCCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0547 [0,1,0,0,0,0|2,0,1]=4 128 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0547 [0,1,0,0,0,0|1,0,0]=2 129 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0547 [0,1,0,0,0,0|1,0,0]=2 130 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0547 [0,1,0,0,0,0|2,0,0]=3 131 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0547 [0,1,0,0,0,0|2,0,0]=3 132 B18R0.19788 CCCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0547 [0,1,0,0,0,0|2,0,0]=3 133 B18R0.19788 CCCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0547 [0,1,0,0,0,0|2,0,0]=3 134 B18R0.19788 CCCCNC(=O)CCCCCCCCCCCBr WXVL_AK00588SB0603 [0,1,0,0,0,0|1,0,0]=2 135 B18R0.19788 CCCCNC(=O)CCCCCCCCCCCBr WXVL_AK00588SB0603 [0,1,0,0,0,0|1,0,0]=2 136 B18R0.19788 CSCCNC(=O)CCCCCCCCCCCBr WXVL_AK00440SB0603 [0,1,0,0,0,0|2,0,0]=3 137 B18R0.19788 CSCCNC(=O)CCCCCCCCCCCBr WXVL_AK00440SB0603 [0,1,0,0,0,0|2,0,0]=3 138 B18R0.19788 N#CCCNC(=O)CCCCCCCCCCCBr WXVL_AK0087SB0603 [0,1,0,0,0,0|2,0,1]=4 139 B18R0.19788 N#CCCNC(=O)CCCCCCCCCCCBr WXVL_AK0087SB0603 [0,1,0,0,0,0|2,0,1]=4 140 B18R0.19788 O=C(CCCCBr)NCCCCCCCCCCO WXVL_AK3148SB3153 [0,1,0,0,0,0|3,0,0]=4 141 B18R0.19788 O=C(CCCCBr)NCCCCCCCCCCO WXVL_AK3148SB3153 [0,1,0,0,0,0|3,0,0]=4 142 B18R0.19788 O=C(CCCCCCCCCCCBr)NCCCO WXVL_AK0073SB0603 [0,1,0,0,0,0|2,0,0]=3 143 B18R0.19788 O=C(CCCCCCCCCCCBr)NCCCO WXVL_AK0073SB0603 [0,1,0,0,0,0|2,0,0]=3 144 B18R0.19788 O=C(CCCCCl)NCCCCCCCCCCO WXVL_AK3148SB0379 [0,1,0,0,0,0|3,0,0]=4 145 B18R0.19788 O=C(CCCCCl)NCCCCCCCCCCO WXVL_AK3148SB0379 [0,1,0,0,0,0|3,0,0]=4 146 B18R0.19788 O=C(NCCCCl)NCCCCCCCCCCO WXVL_AK3148YV0130 [0,1,0,0,0,0|3,0,0]=4 147 B18R0.19788 O=C(NCCCCl)NCCCCCCCCCCO WXVL_AK3148YV0130 [0,1,0,0,0,0|3,0,0]=4 148 B18R1.1327 CCCCCCCCCCCC(=O)N1CCCC1 WXVL_AN0008SB2796 [0,0,0,1,0,0|1,0,0]=2 149 B18R1.1327 CCCCCCCCCCCC(=O)N1CCCC1 WXVL_AN0008SB2796 [0,0,0,1,0,0|1,0,0]=2 150 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 WXVL_AK1845SB0043 [0,0,0,1,0,0|2,0,0]=3 151 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 WXVL_AK1845SB0043 [0,0,0,1,0,0|2,0,0]=3 152 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCO1 WXVL_AK1845SB1033 [0,0,0,1,0,0|3,0,0]=4 153 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCO1 WXVL_AK1845SB1033 [0,0,0,1,0,0|3,0,0]=4 154 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCS1 WXVL_AK1845SB0022 [0,0,0,1,0,0|3,0,0]=4 155 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCS1 WXVL_AK1845SB0022 [0,0,0,1,0,0|3,0,0]=4 156 B18R1.1327 CCCCCCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK1845SB00043 [0,0,0,1,0,0|3,0,0]=4 157 B18R1.1327 CCCCCCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK1845SB00043 [0,0,0,1,0,0|3,0,0]=4 158 B18R1.3010 O=C(CCCCBr)NCCC1CCCCCCC1 WXVL_AK2380SB3153 [0,0,0,1,0,0|3,0,0]=4 159 B18R1.3010 O=C(CCCCBr)NCCC1CCCCCCC1 WXVL_AK2380SB3153 [0,0,0,1,0,0|3,0,0]=4 160 B18R1.3010 O=C(CCCCCl)NCCC1CCCCCCC1 WXVL_AK2380SB0379 [0,0,0,1,0,0|3,0,0]=4 161 B18R1.3010 O=C(CCCCCl)NCCC1CCCCCCC1 WXVL_AK2380SB0379 [0,0,0,1,0,0|3,0,0]=4 162 B18R1.3010 O=C(NCCCCl)NCCC1CCCCCCC1 WXVL_AK2380YV0130 [0,0,0,1,0,0|3,0,0]=4 163 B18R1.3010 O=C(NCCCCl)NCCC1CCCCCCC1 WXVL_AK2380YV0130 [0,0,0,1,0,0|3,0,0]=4 164 B18R1.41513 CCCCCCCCCCCC(=O)NC1CNC1 WXVL_AK1291SB2796 [0,0,0,1,0,0|2,0,0]=3 165 B18R1.41513 CCCCCCCCCCCC(=O)NC1CNC1 WXVL_AK1291SB2796 [0,0,0,1,0,0|2,0,0]=3 166 B18R1.41513 CCCCCCCCCCCC(=O)NC1CSC1 WXVL_AK2089SB2796 [0,0,0,1,0,0|2,0,0]=3 167 B18R1.41513 CCCCCCCCCCCC(=O)NC1CSC1 WXVL_AK2089SB2796 [0,0,0,1,0,0|2,0,0]=3 168 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 WXVL_AK1845SB2207 [0,0,0,1,0,0|2,0,0]=3 169 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 WXVL_AK1845SB2207 [0,0,0,1,0,0|2,0,0]=3 170 B18R1.41514 CCCCCCCCCCNC(=O)C=CC1CC1 WXVL_AK1845SB4216 [0,0,0,1,0,0|2,0,1]=4 171 B18R1.41514 CCCCCCCCCCNC(=O)C=CC1CC1 WXVL_AK1845SB4216 [0,0,0,1,0,0|2,0,1]=4 172 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 WXVL_AK1845SB5360 [0,0,0,1,0,0|2,0,0]=3 173 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 WXVL_AK1845SB5360 [0,0,0,1,0,0|2,0,0]=3 174 B15R0.322 CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0447 [2,0,0,0,0,0|1,0,0]=3 175 B15R0.322 CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0447 [2,0,0,0,0,0|1,0,0]=3 176 B15R0.322 CCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0447 [2,0,0,0,0,0|2,0,0]=4 177 B15R0.322 CCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0447 [2,0,0,0,0,0|2,0,0]=4 178 B15R0.322 CCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0447 [2,0,0,0,0,0|2,0,0]=4 179 B15R0.322 CCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0447 [2,0,0,0,0,0|2,0,0]=4 180 B15R0.322 CCCCCCCCNC(=O)NCCCC WXVL_AK00588YV0182 [2,0,0,0,0,0|2,0,0]=4 181 B15R0.322 CCCCCCCCNC(=O)NCCCC WXVL_AK00588YV0182 [2,0,0,0,0,0|2,0,0]=4 182 B15R0.2002 CCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0490 [2,0,0,0,0,0|1,0,0]=3 183 B15R0.2002 CCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0490 [2,0,0,0,0,0|1,0,0]=3 184 B15R0.2002 CCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0490 [2,0,0,0,0,0|2,0,0]=4 185 B15R0.2002 CCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0490 [2,0,0,0,0,0|2,0,0]=4 186 B15R0.2002 CCCCCCCCCNC(=O)CCOC WXVL_AK1826SB0156 [2,0,0,0,0,0|2,0,0]=4 187 B15R0.2002 CCCCCCCCCNC(=O)CCOC WXVL_AK1826SB0156 [2,0,0,0,0,0|2,0,0]=4 188 B15R0.2002 CCCCCCCCCNC(=O)CCSC WXVL_AK1826SB0361 [2,0,0,0,0,0|2,0,0]=4 189 B15R0.2002 CCCCCCCCCNC(=O)CCSC WXVL_AK1826SB0361 [2,0,0,0,0,0|2,0,0]=4 190 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [2,0,0,0,0,0|2,0,0]=4 191 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [2,0,0,0,0,0|2,0,0]=4 192 B15R0.2002 CCCCCCCCCNC(=O)CSCC WXVL_AK1826SB0002 [2,0,0,0,0,0|2,0,0]=4 193 B15R0.2002 CCCCCCCCCNC(=O)CSCC WXVL_AK1826SB0002 [2,0,0,0,0,0|2,0,0]=4 194 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [2,0,0,0,0,0|1,0,0]=3 195 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [2,0,0,0,0,0|1,0,0]=3 196 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [2,0,0,0,0,0|1,0,0]=3 197 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [2,0,0,0,0,0|1,0,0]=3 198 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [2,0,0,0,0,0|2,0,0]=4 199 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [2,0,0,0,0,0|2,0,0]=4 200 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [2,0,0,0,0,0|2,0,0]=4 201 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [2,0,0,0,0,0|2,0,0]=4 202 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C WXVL_AK0068SB0490 [1,1,0,0,0,0|1,0,0]=3 203 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C WXVL_AK0068SB0490 [1,1,0,0,0,0|1,0,0]=3 204 B17R0.38 CCCCCCCCCCC(=O)NCCN(C)C WXVL_AK0058SB0490 [1,1,0,0,0,0|2,0,0]=4 205 B17R0.38 CCCCCCCCCCC(=O)NCCN(C)C WXVL_AK0058SB0490 [1,1,0,0,0,0|2,0,0]=4 206 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C WXVL_AK1826SB1301 [1,1,0,0,0,0|2,0,0]=4 207 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C WXVL_AK1826SB1301 [1,1,0,0,0,0|2,0,0]=4 208 B17R0.231 CCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB0490 [1,1,0,0,0,0|2,0,0]=4 209 B17R0.231 CCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB0490 [1,1,0,0,0,0|2,0,0]=4 210 B17R0.231 CCCCCCCCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0490 [1,1,0,0,0,0|1,0,0]=3 211 B17R0.231 CCCCCCCCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0490 [1,1,0,0,0,0|1,0,0]=3 212 B17R0.231 CCCCCCCCCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0490 [1,1,0,0,0,0|2,0,0]=4 213 B17R0.231 CCCCCCCCCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0490 [1,1,0,0,0,0|2,0,0]=4 214 B17R0.231 CCCCCCCCCCC(=O)N[C@H](C)COC WXVL_AK00613SB0490 [1,1,0,0,0,0|2,0,0]=4 215 B17R0.231 CCCCCCCCCCC(=O)N[C@H](C)COC WXVL_AK00613SB0490 [1,1,0,0,0,0|2,0,0]=4 216 B17R0.12319 CCCCCCCCCCS(=O)(=O)NCCCC WXVL_AK00588HU0549 [1,1,0,0,0,0|2,0,0]=4 217 B17R0.12319 CCCCCCCCCCS(=O)(=O)NCCCC WXVL_AK00588HU0549 [1,1,0,0,0,0|2,0,0]=4 218 B17R0.12412 C#CCCCNC(=O)CCCCCCCCCC WXVL_AK00218SB0490 [1,1,0,0,0,0|1,0,1]=4 219 B17R0.12412 C#CCCCNC(=O)CCCCCCCCCC WXVL_AK00218SB0490 [1,1,0,0,0,0|1,0,1]=4 220 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0490 [1,1,0,0,0,0|1,0,0]=3 221 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0490 [1,1,0,0,0,0|1,0,0]=3 222 B17R0.12412 CCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0490 [1,1,0,0,0,0|1,0,0]=3 223 B17R0.12412 CCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0490 [1,1,0,0,0,0|1,0,0]=3 224 B17R0.12412 CCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0490 [1,1,0,0,0,0|1,0,0]=3 225 B17R0.12412 CCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0490 [1,1,0,0,0,0|1,0,0]=3 226 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0490 [1,1,0,0,0,0|1,0,0]=3 227 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0490 [1,1,0,0,0,0|1,0,0]=3 228 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0490 [1,1,0,0,0,0|1,0,0]=3 229 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0490 [1,1,0,0,0,0|1,0,0]=3 230 B17R0.12412 CCCCCCCCCNC(=O)CCCCCBr WXVL_AK1826SB2192 [1,1,0,0,0,0|2,0,0]=4 231 B17R0.12412 CCCCCCCCCNC(=O)CCCCCBr WXVL_AK1826SB2192 [1,1,0,0,0,0|2,0,0]=4 232 B17R0.12412 CCCCCCCCCNC(=O)CCCCCO WXVL_AK1826SB2973 [1,1,0,0,0,0|2,0,0]=4 233 B17R0.12412 CCCCCCCCCNC(=O)CCCCCO WXVL_AK1826SB2973 [1,1,0,0,0,0|2,0,0]=4 234 B17R0.12412 CCCCCCCCCNC(=O)COCCOC WXVL_AK1826SB0159 [1,1,0,0,0,0|2,0,0]=4 235 B17R0.12412 CCCCCCCCCNC(=O)COCCOC WXVL_AK1826SB0159 [1,1,0,0,0,0|2,0,0]=4 236 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0490 [1,1,0,0,0,0|2,0,0]=4 237 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0490 [1,1,0,0,0,0|2,0,0]=4 238 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0490 [1,1,0,0,0,0|2,0,0]=4 239 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0490 [1,1,0,0,0,0|2,0,0]=4 240 B17R0.12415 CCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0490 [1,1,0,0,0,0|2,0,0]=4 241 B17R0.12415 CCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0490 [1,1,0,0,0,0|2,0,0]=4 242 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCOC WXVL_AN0085SB0490 [1,1,0,0,0,0|2,0,0]=4 243 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCOC WXVL_AN0085SB0490 [1,1,0,0,0,0|2,0,0]=4 244 B17R0.12416 CCCCCCCCCNC(=O)C(O)CCCC WXVL_AK1826SB3429 [1,1,0,0,0,0|2,0,0]=4 245 B17R0.12416 CCCCCCCCCNC(=O)C(O)CCCC WXVL_AK1826SB3429 [1,1,0,0,0,0|2,0,0]=4 246 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC WXVL_AK0761SB2796 [1,1,0,0,0,0|1,0,1]=4 247 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC WXVL_AK0761SB2796 [1,1,0,0,0,0|1,0,1]=4 248 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB2796 [1,1,0,0,0,0|1,0,0]=3 249 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB2796 [1,1,0,0,0,0|1,0,0]=3 250 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB2796 [1,1,0,0,0,0|1,0,0]=3 251 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB2796 [1,1,0,0,0,0|1,0,0]=3 252 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB2796 [1,1,0,0,0,0|2,0,0]=4 253 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB2796 [1,1,0,0,0,0|2,0,0]=4 254 B17R0.192 CCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2796 [1,1,0,0,0,0|1,0,0]=3 255 B17R0.192 CCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2796 [1,1,0,0,0,0|1,0,0]=3 256 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1845SB0072 [1,1,0,0,0,0|1,0,1]=4 257 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1845SB0072 [1,1,0,0,0,0|1,0,1]=4 258 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C WXVL_AK1845SB0354 [1,1,0,0,0,0|1,0,0]=3 259 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C WXVL_AK1845SB0354 [1,1,0,0,0,0|1,0,0]=3 260 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C WXVL_AK1845SB00052 [1,1,0,0,0,0|2,0,0]=4 261 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C WXVL_AK1845SB00052 [1,1,0,0,0,0|2,0,0]=4 262 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C WXVL_AK1845SB0213 [1,1,0,0,0,0|2,0,0]=4 263 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C WXVL_AK1845SB0213 [1,1,0,0,0,0|2,0,0]=4 264 B17R0.6422 CCCCCCCCCCNS(=O)(=O)CCCC WXVL_AK1845HU0031 [1,1,0,0,0,0|2,0,0]=4 265 B17R0.6422 CCCCCCCCCCNS(=O)(=O)CCCC WXVL_AK1845HU0031 [1,1,0,0,0,0|2,0,0]=4 266 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2796 [1,1,0,0,0,0|1,0,0]=3 267 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2796 [1,1,0,0,0,0|1,0,0]=3 268 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB2796 [1,1,0,0,0,0|2,0,0]=4 269 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB2796 [1,1,0,0,0,0|2,0,0]=4 270 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB2796 [1,1,0,0,0,0|2,0,0]=4 271 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB2796 [1,1,0,0,0,0|2,0,0]=4 272 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC WXVL_AK1845SB0353 [1,1,0,0,0,0|1,0,0]=3 273 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC WXVL_AK1845SB0353 [1,1,0,0,0,0|1,0,0]=3 274 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC WXVL_AK1845SB4092 [1,1,0,0,0,0|1,0,0]=3 275 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC WXVL_AK1845SB4092 [1,1,0,0,0,0|1,0,0]=3 276 B17R0.13601 CCCCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK1845SB8650 [1,1,0,0,0,0|1,0,0]=3 277 B17R0.13601 CCCCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK1845SB8650 [1,1,0,0,0,0|1,0,0]=3 278 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB2796 [1,1,0,0,0,0|2,0,0]=4 279 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB2796 [1,1,0,0,0,0|2,0,0]=4 280 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC WXVL_AK1845SB0352 [1,1,0,0,0,0|1,0,0]=3 281 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC WXVL_AK1845SB0352 [1,1,0,0,0,0|1,0,0]=3 282 B17R0.13602 CCCCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK1845SB3627 [1,1,0,0,0,0|1,0,0]=3 283 B17R0.13602 CCCCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK1845SB3627 [1,1,0,0,0,0|1,0,0]=3 284 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CN(C)C WXVL_AK0938SB2796 [0,2,0,0,0,0|2,0,0]=4 285 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CN(C)C WXVL_AK0938SB2796 [0,2,0,0,0,0|2,0,0]=4 286 B19R0.150 CC(CCO)NC(=O)CCCCCCCCCCCBr WXVL_AK1288SB0603 [0,2,0,0,0,0|2,0,0]=4 287 B19R0.150 CC(CCO)NC(=O)CCCCCCCCCCCBr WXVL_AK1288SB0603 [0,2,0,0,0,0|2,0,0]=4 288 B19R0.150 CCCCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB0547 [0,2,0,0,0,0|2,0,0]=4 289 B19R0.150 CCCCCCCCCCCCC(=O)NC(C)CCO WXVL_AK1288SB0547 [0,2,0,0,0,0|2,0,0]=4 290 B19R0.150 CCCCCCCCCCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0547 [0,2,0,0,0,0|1,0,0]=3 291 B19R0.150 CCCCCCCCCCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0547 [0,2,0,0,0,0|1,0,0]=3 292 B19R0.150 CCCCCCCCCCCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0547 [0,2,0,0,0,0|2,0,0]=4 293 B19R0.150 CCCCCCCCCCCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0547 [0,2,0,0,0,0|2,0,0]=4 294 B19R0.150 CCCCCCCCCCCCC(=O)N[C@H](C)COC WXVL_AK00613SB0547 [0,2,0,0,0,0|2,0,0]=4 295 B19R0.150 CCCCCCCCCCCCC(=O)N[C@H](C)COC WXVL_AK00613SB0547 [0,2,0,0,0,0|2,0,0]=4 296 B19R0.150 CCC[C@H](C)NC(=O)CCCCCCCCCCCBr WXVL_AK00682SB0603 [0,2,0,0,0,0|1,0,0]=3 297 B19R0.150 CCC[C@H](C)NC(=O)CCCCCCCCCCCBr WXVL_AK00682SB0603 [0,2,0,0,0,0|1,0,0]=3 298 B19R0.150 COC[C@@H](C)NC(=O)CCCCCCCCCCCBr WXVL_AK00613SB0603 [0,2,0,0,0,0|2,0,0]=4 299 B19R0.150 COC[C@@H](C)NC(=O)CCCCCCCCCCCBr WXVL_AK00613SB0603 [0,2,0,0,0,0|2,0,0]=4 300 B19R0.150 COC[C@H](C)NC(=O)CCCCCCCCCCCBr WXVL_AK0137SB0603 [0,2,0,0,0,0|2,0,0]=4 301 B19R0.150 COC[C@H](C)NC(=O)CCCCCCCCCCCBr WXVL_AK0137SB0603 [0,2,0,0,0,0|2,0,0]=4 302 B19R0.9214 CCCCCCCCCCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB2796 [0,2,0,0,0,0|1,0,0]=3 303 B19R0.9214 CCCCCCCCCCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB2796 [0,2,0,0,0,0|1,0,0]=3 304 B19R0.71892 CCCCCCCCCCCC(=O)NC(C)(C)COC WXVL_AK1295SB2796 [0,2,0,0,0,0|2,0,0]=4 305 B19R0.71892 CCCCCCCCCCCC(=O)NC(C)(C)COC WXVL_AK1295SB2796 [0,2,0,0,0,0|2,0,0]=4 306 B19R0.92 CC(C)CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1301 [0,2,0,0,0,0|2,0,0]=4 307 B19R0.92 CC(C)CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1301 [0,2,0,0,0,0|2,0,0]=4 308 B19R0.92 CC(C)CCNC(=O)CCCCCCCCCCCBr WXVL_AK0068SB0603 [0,2,0,0,0,0|1,0,0]=3 309 B19R0.92 CC(C)CCNC(=O)CCCCCCCCCCCBr WXVL_AK0068SB0603 [0,2,0,0,0,0|1,0,0]=3 310 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)C WXVL_AK0068SB0547 [0,2,0,0,0,0|1,0,0]=3 311 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)C WXVL_AK0068SB0547 [0,2,0,0,0,0|1,0,0]=3 312 B19R0.92 CCCCCCCCCCCCC(=O)NCCN(C)C WXVL_AK0058SB0547 [0,2,0,0,0,0|2,0,0]=4 313 B19R0.92 CCCCCCCCCCCCC(=O)NCCN(C)C WXVL_AK0058SB0547 [0,2,0,0,0,0|2,0,0]=4 314 B19R0.92 CN(C)CCNC(=O)CCCCCCCCCCCBr WXVL_AK0058SB0603 [0,2,0,0,0,0|2,0,0]=4 315 B19R0.92 CN(C)CCNC(=O)CCCCCCCCCCCBr WXVL_AK0058SB0603 [0,2,0,0,0,0|2,0,0]=4 316 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CO WXVL_AK4143SB2796 [0,2,0,0,0,0|1,0,0]=3 317 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CO WXVL_AK4143SB2796 [0,2,0,0,0,0|1,0,0]=3 318 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)O WXVL_AK1558SB2796 [0,2,0,0,0,0|1,0,0]=3 319 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)O WXVL_AK1558SB2796 [0,2,0,0,0,0|1,0,0]=3 320 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(F)(F)F WXVL_AK0145SB2796 [0,2,0,0,0,0|2,0,0]=4 321 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(F)(F)F WXVL_AK0145SB2796 [0,2,0,0,0,0|2,0,0]=4 322 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C WXVL_AK0333SB2796 [0,2,0,0,0,0|2,0,0]=4 323 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C WXVL_AK0333SB2796 [0,2,0,0,0,0|2,0,0]=4 324 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCN(C)C WXVL_AN0052SB2796 [0,2,0,0,0,0|2,0,0]=4 325 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCN(C)C WXVL_AN0052SB2796 [0,2,0,0,0,0|2,0,0]=4 326 B19R0.18057 CCCCCCCCCCCCS(=O)(=O)NCCCC WXVL_AK00588HU0325 [0,2,0,0,0,0|2,0,0]=4 327 B19R0.18057 CCCCCCCCCCCCS(=O)(=O)NCCCC WXVL_AK00588HU0325 [0,2,0,0,0,0|2,0,0]=4 328 B19R0.9205 CCCCCCCCCCCC(=O)NCCNC(=O)C WXVL_AK0057SB2796 [0,2,0,0,0,0|1,0,1]=4 329 B19R0.9205 CCCCCCCCCCCC(=O)NCCNC(=O)C WXVL_AK0057SB2796 [0,2,0,0,0,0|1,0,1]=4 330 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C WXVL_AK0128SB2796 [0,2,0,0,0,0|1,0,0]=3 331 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C WXVL_AK0128SB2796 [0,2,0,0,0,0|1,0,0]=3 332 B19R0.9213 C#CCCCCNC(=O)CCCCCCCCCCC WXVL_AK00614SB2796 [0,2,0,0,0,0|1,0,0]=3 333 B19R0.9213 C#CCCCCNC(=O)CCCCCCCCCCC WXVL_AK00614SB2796 [0,2,0,0,0,0|1,0,0]=3 334 B19R0.9213 C#CCOCCNC(=O)CCCCCCCCCCC WXVL_AK00687SB2796 [0,2,0,0,0,0|1,0,1]=4 335 B19R0.9213 C#CCOCCNC(=O)CCCCCCCCCCC WXVL_AK00687SB2796 [0,2,0,0,0,0|1,0,1]=4 336 B19R0.9213 C=COCCCNC(=O)CCCCCCCCCCC WXVL_AK7221SB2796 [0,2,0,0,0,0|1,0,1]=4 337 B19R0.9213 C=COCCCNC(=O)CCCCCCCCCCC WXVL_AK7221SB2796 [0,2,0,0,0,0|1,0,1]=4 338 B19R0.9213 CCCCC/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB3331 [0,2,0,0,0,0|2,0,0]=4 339 B19R0.9213 CCCCC/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB3331 [0,2,0,0,0,0|2,0,0]=4 340 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB2796 [0,2,0,0,0,0|1,0,0]=3 341 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB2796 [0,2,0,0,0,0|1,0,0]=3 342 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB2796 [0,2,0,0,0,0|1,0,0]=3 343 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB2796 [0,2,0,0,0,0|1,0,0]=3 344 B19R0.9213 CCCCCCCCCCCC(=O)NCCCOCC WXVL_AK0072SB2796 [0,2,0,0,0,0|1,0,0]=3 345 B19R0.9213 CCCCCCCCCCCC(=O)NCCCOCC WXVL_AK0072SB2796 [0,2,0,0,0,0|1,0,0]=3 346 B19R0.9213 CCCCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB2796 [0,2,0,0,0,0|1,0,0]=3 347 B19R0.9213 CCCCCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB2796 [0,2,0,0,0,0|1,0,0]=3 348 B19R0.9213 CCCCCCCCCCNC(=O)CCCCCCBr WXVL_AK1845SB1386 [0,2,0,0,0,0|2,0,0]=4 349 B19R0.9213 CCCCCCCCCCNC(=O)CCCCCCBr WXVL_AK1845SB1386 [0,2,0,0,0,0|2,0,0]=4 350 B19R0.9213 CCCCCCCCCCNC(=O)CCCCCCC WXVL_AK1845SB0393 [0,2,0,0,0,0|2,0,0]=4 351 B19R0.9213 CCCCCCCCCCNC(=O)CCCCCCC WXVL_AK1845SB0393 [0,2,0,0,0,0|2,0,0]=4 352 B19R0.18065 C#CCCCNC(=O)CCCCCCCCCCCBr WXVL_AK00218SB0603 [0,2,0,0,0,0|1,0,1]=4 353 B19R0.18065 C#CCCCNC(=O)CCCCCCCCCCCBr WXVL_AK00218SB0603 [0,2,0,0,0,0|1,0,1]=4 354 B19R0.18065 C#CCCCNC(=O)CCCCCCCCCCCC WXVL_AK00218SB0547 [0,2,0,0,0,0|1,0,1]=4 355 B19R0.18065 C#CCCCNC(=O)CCCCCCCCCCCC WXVL_AK00218SB0547 [0,2,0,0,0,0|1,0,1]=4 356 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0547 [0,2,0,0,0,0|1,0,0]=3 357 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0547 [0,2,0,0,0,0|1,0,0]=3 358 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0547 [0,2,0,0,0,0|1,0,0]=3 359 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0547 [0,2,0,0,0,0|1,0,0]=3 360 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0547 [0,2,0,0,0,0|1,0,0]=3 361 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0547 [0,2,0,0,0,0|1,0,0]=3 362 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0547 [0,2,0,0,0,0|1,0,0]=3 363 B19R0.18065 CCCCCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0547 [0,2,0,0,0,0|1,0,0]=3 364 B19R0.18065 CCCCCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0547 [0,2,0,0,0,0|1,0,0]=3 365 B19R0.18065 CCCCCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0547 [0,2,0,0,0,0|1,0,0]=3 366 B19R0.18065 CCCCCNC(=O)CCCCCCCCCCCBr WXVL_AK0076SB0603 [0,2,0,0,0,0|1,0,0]=3 367 B19R0.18065 CCCCCNC(=O)CCCCCCCCCCCBr WXVL_AK0076SB0603 [0,2,0,0,0,0|1,0,0]=3 368 B19R0.18065 CCSCCNC(=O)CCCCCCCCCCCBr WXVL_AK00494SB0603 [0,2,0,0,0,0|1,0,0]=3 369 B19R0.18065 CCSCCNC(=O)CCCCCCCCCCCBr WXVL_AK00494SB0603 [0,2,0,0,0,0|1,0,0]=3 370 B19R0.18065 COCCCNC(=O)CCCCCCCCCCCBr WXVL_AK00637SB0603 [0,2,0,0,0,0|1,0,0]=3 371 B19R0.18065 COCCCNC(=O)CCCCCCCCCCCBr WXVL_AK00637SB0603 [0,2,0,0,0,0|1,0,0]=3 372 B19R0.18065 COCCOCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0159 [0,2,0,0,0,0|2,0,0]=4 373 B19R0.18065 COCCOCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0159 [0,2,0,0,0,0|2,0,0]=4 374 B19R0.18065 CSCCCNC(=O)CCCCCCCCCCCBr WXVL_AK0965SB0603 [0,2,0,0,0,0|1,0,0]=3 375 B19R0.18065 CSCCCNC(=O)CCCCCCCCCCCBr WXVL_AK0965SB0603 [0,2,0,0,0,0|1,0,0]=3 376 B19R0.18065 O=C(CCCCCBr)NCCCCCCCCCCO WXVL_AK3148SB2192 [0,2,0,0,0,0|2,0,0]=4 377 B19R0.18065 O=C(CCCCCBr)NCCCCCCCCCCO WXVL_AK3148SB2192 [0,2,0,0,0,0|2,0,0]=4 378 B19R0.18065 O=C(CCCCCCCCCCCBr)NCCCCO WXVL_AK0075SB0603 [0,2,0,0,0,0|1,0,0]=3 379 B19R0.18065 O=C(CCCCCCCCCCCBr)NCCCCO WXVL_AK0075SB0603 [0,2,0,0,0,0|1,0,0]=3 380 B19R0.18065 O=C(CCCCCO)NCCCCCCCCCCO WXVL_AK3148SB2973 [0,2,0,0,0,0|2,0,0]=4 381 B19R0.18065 O=C(CCCCCO)NCCCCCCCCCCO WXVL_AK3148SB2973 [0,2,0,0,0,0|2,0,0]=4 382 B19R0.22587 CCCCCCCCCCNC(=O)C(C)CCCCC WXVL_AK1845SB0394 [0,2,0,0,0,0|2,0,0]=4 383 B19R0.22587 CCCCCCCCCCNC(=O)C(C)CCCCC WXVL_AK1845SB0394 [0,2,0,0,0,0|2,0,0]=4 384 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0547 [0,2,0,0,0,0|2,0,0]=4 385 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0547 [0,2,0,0,0,0|2,0,0]=4 386 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0547 [0,2,0,0,0,0|2,0,0]=4 387 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0547 [0,2,0,0,0,0|2,0,0]=4 388 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0547 [0,2,0,0,0,0|2,0,0]=4 389 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0547 [0,2,0,0,0,0|2,0,0]=4 390 B19R0.18068 CO[C@H](C)CNC(=O)CCCCCCCCCCCBr WXVL_AK00704SB0603 [0,2,0,0,0,0|2,0,0]=4 391 B19R0.18068 CO[C@H](C)CNC(=O)CCCCCCCCCCCBr WXVL_AK00704SB0603 [0,2,0,0,0,0|2,0,0]=4 392 B19R0.18068 O=C(CCCCCCCCCCCBr)NC[C@@H](F)CO WXVL_AK00590SB0603 [0,2,0,0,0,0|2,0,0]=4 393 B19R0.18068 O=C(CCCCCCCCCCCBr)NC[C@@H](F)CO WXVL_AK00590SB0603 [0,2,0,0,0,0|2,0,0]=4 394 B19R0.18068 O=C(CCCCCCCCCCCBr)NC[C@H](O)CO WXVL_AK00483SB0603 [0,2,0,0,0,0|2,0,0]=4 395 B19R0.18068 O=C(CCCCCCCCCCCBr)NC[C@H](O)CO WXVL_AK00483SB0603 [0,2,0,0,0,0|2,0,0]=4 396 B19R0.25692 CCCCCCCCCCCC(=O)NCC(C)(C)CO WXVL_AK0104SB2796 [0,2,0,0,0,0|2,0,0]=4 397 B19R0.25692 CCCCCCCCCCCC(=O)NCC(C)(C)CO WXVL_AK0104SB2796 [0,2,0,0,0,0|2,0,0]=4 398 B19R0.18069 CCCCC(O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB3429 [0,2,0,0,0,0|2,0,0]=4 399 B19R0.18069 CCCCC(O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB3429 [0,2,0,0,0,0|2,0,0]=4 400 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCOC WXVL_AN0085SB0547 [0,2,0,0,0,0|2,0,0]=4 401 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCOC WXVL_AN0085SB0547 [0,2,0,0,0,0|2,0,0]=4 402 B19R0.18069 COCCN(C)C(=O)CCCCCCCCCCCBr WXVL_AN0085SB0603 [0,2,0,0,0,0|2,0,0]=4 403 B19R0.18069 COCCN(C)C(=O)CCCCCCCCCCCBr WXVL_AN0085SB0603 [0,2,0,0,0,0|2,0,0]=4 404 B19R0.65285 CCCCCCCCC(=O)N[C@@H](C)C(=O)OCCCC WXVL_AK1571SB0409 [0,2,0,0,0,0|1,0,1]=4 405 B19R0.65285 CCCCCCCCC(=O)N[C@@H](C)C(=O)OCCCC WXVL_AK1571SB0409 [0,2,0,0,0,0|1,0,1]=4 406 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0562 [0,2,0,0,0,0|1,0,0]=3 407 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0562 [0,2,0,0,0,0|1,0,0]=3 408 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0562 [0,2,0,0,0,0|2,0,0]=4 409 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0562 [0,2,0,0,0,0|2,0,0]=4 410 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0562 [0,2,0,0,0,0|2,0,0]=4 411 B19R0.25648 CCCCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0562 [0,2,0,0,0,0|2,0,0]=4 412 B19R0.25648 CCCCCCCCCCCCNC(=O)CCCCBr WXVL_AK1886SB3153 [0,2,0,0,0,0|2,0,0]=4 413 B19R0.25648 CCCCCCCCCCCCNC(=O)CCCCBr WXVL_AK1886SB3153 [0,2,0,0,0,0|2,0,0]=4 414 B19R0.25648 CCCCCCCCCCCCNC(=O)CCCCCl WXVL_AK1886SB0379 [0,2,0,0,0,0|2,0,0]=4 415 B19R0.25648 CCCCCCCCCCCCNC(=O)CCCCCl WXVL_AK1886SB0379 [0,2,0,0,0,0|2,0,0]=4 416 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCC WXVL_AK00588YV0205 [0,2,0,0,0,0|1,0,0]=3 417 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCC WXVL_AK00588YV0205 [0,2,0,0,0,0|1,0,0]=3 418 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCCl WXVL_AK1886YV0130 [0,2,0,0,0,0|2,0,0]=4 419 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCCl WXVL_AK1886YV0130 [0,2,0,0,0,0|2,0,0]=4 420 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCO WXVL_AK0073YV0205 [0,2,0,0,0,0|2,0,0]=4 421 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCO WXVL_AK0073YV0205 [0,2,0,0,0,0|2,0,0]=4 422 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCSC WXVL_AK00440YV0205 [0,2,0,0,0,0|2,0,0]=4 423 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCSC WXVL_AK00440YV0205 [0,2,0,0,0,0|2,0,0]=4 424 B17R1.1308 CCCCCCCCCCC(=O)N1CCCC1 WXVL_AN0008SB0490 [1,0,0,1,0,0|1,0,0]=3 425 B17R1.1308 CCCCCCCCCCC(=O)N1CCCC1 WXVL_AN0008SB0490 [1,0,0,1,0,0|1,0,0]=3 426 B17R1.1308 CCCCCCCCCNC(=O)C1CCCC1 WXVL_AK1826SB0043 [1,0,0,1,0,0|2,0,0]=4 427 B17R1.1308 CCCCCCCCCNC(=O)C1CCCC1 WXVL_AK1826SB0043 [1,0,0,1,0,0|2,0,0]=4 428 B17R1.26145 CCCCCCCCCCC(=O)NC1CNC1 WXVL_AK1291SB0490 [1,0,0,1,0,0|2,0,0]=4 429 B17R1.26145 CCCCCCCCCCC(=O)NC1CNC1 WXVL_AK1291SB0490 [1,0,0,1,0,0|2,0,0]=4 430 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 WXVL_AK2089SB0490 [1,0,0,1,0,0|2,0,0]=4 431 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 WXVL_AK2089SB0490 [1,0,0,1,0,0|2,0,0]=4 432 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 WXVL_AK1826SB2207 [1,0,0,1,0,0|2,0,0]=4 433 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 WXVL_AK1826SB2207 [1,0,0,1,0,0|2,0,0]=4 434 B17R1.26146 CCCCCCCCCNC(=O)CCC1CC1 WXVL_AK1826SB5360 [1,0,0,1,0,0|2,0,0]=4 435 B17R1.26146 CCCCCCCCCNC(=O)CCC1CC1 WXVL_AK1826SB5360 [1,0,0,1,0,0|2,0,0]=4 436 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 WXVL_AK1845SB0042 [1,0,0,1,0,0|1,0,0]=3 437 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 WXVL_AK1845SB0042 [1,0,0,1,0,0|1,0,0]=3 438 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB2796 [1,0,0,1,0,0|1,0,0]=3 439 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB2796 [1,0,0,1,0,0|1,0,0]=3 440 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 WXVL_AK1845SB0155 [1,0,0,1,0,0|1,0,0]=3 441 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 WXVL_AK1845SB0155 [1,0,0,1,0,0|1,0,0]=3 442 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0091 [1,0,0,1,0,0|2,0,0]=4 443 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0091 [1,0,0,1,0,0|2,0,0]=4 444 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0002 [1,0,0,1,0,0|2,0,0]=4 445 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0002 [1,0,0,1,0,0|2,0,0]=4 446 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0156 [1,0,0,1,0,0|2,0,0]=4 447 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0156 [1,0,0,1,0,0|2,0,0]=4 448 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0361 [1,0,0,1,0,0|2,0,0]=4 449 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0361 [1,0,0,1,0,0|2,0,0]=4 450 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C WXVL_AK1845SB0041 [1,0,0,1,0,0|1,0,0]=3 451 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C WXVL_AK1845SB0041 [1,0,0,1,0,0|1,0,0]=3 452 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1845SB1245 [1,0,0,1,0,0|2,0,0]=4 453 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1845SB1245 [1,0,0,1,0,0|2,0,0]=4 454 B17R1.73265 CCCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1845SB00019 [1,0,0,1,0,0|2,0,0]=4 455 B17R1.73265 CCCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1845SB00019 [1,0,0,1,0,0|2,0,0]=4 456 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCCC1 WXVL_AK1845SB0044 [0,1,0,1,0,0|2,0,0]=4 457 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCCC1 WXVL_AK1845SB0044 [0,1,0,1,0,0|2,0,0]=4 458 B19R1.3800 CCCCCCCCCCNC(=O)CN1CCCC1 WXVL_AK1845SB0201 [0,1,0,1,0,0|2,0,0]=4 459 B19R1.3800 CCCCCCCCCCNC(=O)CN1CCCC1 WXVL_AK1845SB0201 [0,1,0,1,0,0|2,0,0]=4 460 B19R1.55075 CCCCCCCCCCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB2796 [0,1,0,1,0,0|1,0,0]=3 461 B19R1.55075 CCCCCCCCCCNC(=O)C1CCCC1C WXVL_AK1845SB0904 [0,1,0,1,0,0|2,0,0]=4 462 B19R1.55075 CCCCCCCCCCNC(=O)C1CCCC1C WXVL_AK1845SB0904 [0,1,0,1,0,0|2,0,0]=4 463 B19R1.55075 CCCCCCCCCCNC(=O)[C@@H]1CCCN1C WXVL_AK1845SB1197 [0,1,0,1,0,0|2,0,0]=4 464 B19R1.55075 CCCCCCCCCCNC(=O)[C@@H]1CCCN1C WXVL_AK1845SB1197 [0,1,0,1,0,0|2,0,0]=4 465 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)C WXVL_AK0309SB2796 [0,1,0,1,0,0|1,0,0]=3 466 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)C WXVL_AK0309SB2796 [0,1,0,1,0,0|1,0,0]=3 467 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)F WXVL_AK0307SB2796 [0,1,0,1,0,0|1,0,0]=3 468 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)F WXVL_AK0307SB2796 [0,1,0,1,0,0|1,0,0]=3 469 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)O WXVL_AK0306SB2796 [0,1,0,1,0,0|1,0,0]=3 470 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)O WXVL_AK0306SB2796 [0,1,0,1,0,0|1,0,0]=3 471 B19R1.55077 CCCCCCCCCCCC(=O)NC1CN(C1)C WXVL_AK1377SB2796 [0,1,0,1,0,0|2,0,0]=4 472 B19R1.55077 CCCCCCCCCCCC(=O)NC1CN(C1)C WXVL_AK1377SB2796 [0,1,0,1,0,0|2,0,0]=4 473 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB2796 [0,1,0,1,0,0|1,0,0]=3 474 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB2796 [0,1,0,1,0,0|1,0,0]=3 475 B19R1.141920 CCCCCCCCCCCC(=O)NC(C)C1CC1 WXVL_AK00200SB2796 [0,1,0,1,0,0|1,0,0]=3 476 B19R1.141920 CCCCCCCCCCCC(=O)NC(C)C1CC1 WXVL_AK00200SB2796 [0,1,0,1,0,0|1,0,0]=3 477 B19R1.141920 CCCCCCCCCCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB2796 [0,1,0,1,0,0|1,0,0]=3 478 B19R1.141920 CCCCCCCCCCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB2796 [0,1,0,1,0,0|1,0,0]=3 479 B19R1.499309 CCCCCCCCCCNC(=O)CC1(CCC1)O WXVL_AK1845SB0026 [0,1,0,1,0,0|2,0,0]=4 480 B19R1.499309 CCCCCCCCCCNC(=O)CC1(CCC1)O WXVL_AK1845SB0026 [0,1,0,1,0,0|2,0,0]=4 481 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)Br WXVL_AN00715SB2796 [0,1,0,1,0,0|1,0,0]=3 482 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)C WXVL_AN0556SB2796 [0,1,0,1,0,0|1,0,0]=3 483 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)C WXVL_AN0556SB2796 [0,1,0,1,0,0|1,0,0]=3 484 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)F WXVL_AN00338SB2796 [0,1,0,1,0,0|1,0,0]=3 485 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)F WXVL_AN00338SB2796 [0,1,0,1,0,0|1,0,0]=3 486 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)O WXVL_AN0158SB2796 [0,1,0,1,0,0|1,0,0]=3 487 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)O WXVL_AN0158SB2796 [0,1,0,1,0,0|1,0,0]=3 488 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB2796 [0,1,0,1,0,0|1,0,0]=3 489 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB2796 [0,1,0,1,0,0|1,0,0]=3 490 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB2796 [0,1,0,1,0,0|1,0,0]=3 491 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB2796 [0,1,0,1,0,0|1,0,0]=3 492 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB2796 [0,1,0,1,0,0|1,0,0]=3 493 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB2796 [0,1,0,1,0,0|1,0,0]=3 494 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB2796 [0,1,0,1,0,0|1,0,0]=3 495 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB2796 [0,1,0,1,0,0|1,0,0]=3 496 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)O WXVL_AN00543SB2796 [0,1,0,1,0,0|1,0,0]=3 497 B19R1.1007 CCCCCCCCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK1845SB0853 [0,1,0,1,0,0|2,0,0]=4 498 B19R1.1007 CCCCCCCCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK1845SB0853 [0,1,0,1,0,0|2,0,0]=4 499 B19R1.55079 CCCCCCCCCCCC(=O)NCCC1CC1 WXVL_AK00594SB2796 [0,1,0,1,0,0|1,0,0]=3 500 B19R1.55079 CCCCCCCCCCCC(=O)NCCC1CC1 WXVL_AK00594SB2796 [0,1,0,1,0,0|1,0,0]=3 501 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1301 [0,1,0,1,0,0|2,0,0]=4 502 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1301 [0,1,0,1,0,0|2,0,0]=4 503 B19R1.499308 CCCCCCCCCCCC(=O)NC1CC1(F)F WXVL_AK0397SB2796 [0,1,0,1,0,0|2,0,0]=4 504 B19R1.499308 CCCCCCCCCCCC(=O)NC1CC1(F)F WXVL_AK0397SB2796 [0,1,0,1,0,0|2,0,0]=4 505 B19R1.1008 CCCCCCCCCCCC(=O)N1CCOCC1 WXVL_AN00478SB2796 [0,1,0,1,0,0|1,0,0]=3 506 B19R1.1008 CCCCCCCCCCCC(=O)N1CCOCC1 WXVL_AN00478SB2796 [0,1,0,1,0,0|1,0,0]=3 507 B19R1.1008 CCCCCCCCCCCC(=O)N1CCSCC1 WXVL_AN0896SB2796 [0,1,0,1,0,0|1,0,0]=3 508 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCO1 WXVL_AK1845SB4858 [0,1,0,1,0,0|1,0,1]=4 509 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCO1 WXVL_AK1845SB4858 [0,1,0,1,0,0|1,0,1]=4 510 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCC1 WXVL_AK1845SB0047 [0,1,0,1,0,0|2,0,0]=4 511 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCC1 WXVL_AK1845SB0047 [0,1,0,1,0,0|2,0,0]=4 512 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCO1 WXVL_AK1845SB0206 [0,1,0,1,0,0|1,0,0]=3 513 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCO1 WXVL_AK1845SB0206 [0,1,0,1,0,0|1,0,0]=3 514 B19R1.1008 CCCCCCCCCCNC(=O)C1CCOCC1 WXVL_AK1845SB0149 [0,1,0,1,0,0|2,0,0]=4 515 B19R1.1008 CCCCCCCCCCNC(=O)C1CCOCC1 WXVL_AK1845SB0149 [0,1,0,1,0,0|2,0,0]=4 516 B19R1.1008 CCCCCCCCCCNC(=O)C1CCSCC1 WXVL_AK1845SB0752 [0,1,0,1,0,0|2,0,0]=4 517 B19R1.1008 CCCCCCCCCCNC(=O)C1CCSCC1 WXVL_AK1845SB0752 [0,1,0,1,0,0|2,0,0]=4 518 B19R1.1008 CCCCCCCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK1845SB00044 [0,1,0,1,0,0|1,0,0]=3 519 B19R1.1008 CCCCCCCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK1845SB00044 [0,1,0,1,0,0|1,0,0]=3 520 B19R1.55076 CCCCCCCCCCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB2796 [0,1,0,1,0,0|1,0,0]=3 521 B19R1.55076 CCCCCCCCCCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB2796 [0,1,0,1,0,0|1,0,0]=3 522 B19R1.55076 CCCCCCCCCCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB2796 [0,1,0,1,0,0|1,0,0]=3 523 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCC1 WXVL_AK00492SB2796 [0,1,0,1,0,0|1,0,0]=3 524 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCC1 WXVL_AK00492SB2796 [0,1,0,1,0,0|1,0,0]=3 525 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCO1 WXVL_AK1433SB2796 [0,1,0,1,0,0|1,0,0]=3 526 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCO1 WXVL_AK1433SB2796 [0,1,0,1,0,0|1,0,0]=3 527 B19R1.55078 CCCCCCCCCCCC(=O)NCC1COC1 WXVL_AK0186SB2796 [0,1,0,1,0,0|1,0,0]=3 528 B19R1.55078 CCCCCCCCCCCC(=O)NCC1COC1 WXVL_AK0186SB2796 [0,1,0,1,0,0|1,0,0]=3 529 B19R1.55078 CCCCCCCCCCNC(=O)CCC1CCC1 WXVL_AK1845SB8784 [0,1,0,1,0,0|2,0,0]=4 530 B19R1.55078 CCCCCCCCCCNC(=O)CCC1CCC1 WXVL_AK1845SB8784 [0,1,0,1,0,0|2,0,0]=4 531 B19R1.110125 COCCOCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0159 [0,1,0,1,0,0|2,0,0]=4 532 B19R1.110125 COCCOCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0159 [0,1,0,1,0,0|2,0,0]=4 533 B19R1.110125 O=C(CCCCCBr)NCCC1CCCCCCC1 WXVL_AK2380SB2192 [0,1,0,1,0,0|2,0,0]=4 534 B19R1.110125 O=C(CCCCCBr)NCCC1CCCCCCC1 WXVL_AK2380SB2192 [0,1,0,1,0,0|2,0,0]=4 535 B19R1.110125 O=C(CCCCCO)NCCC1CCCCCCC1 WXVL_AK2380SB2973 [0,1,0,1,0,0|2,0,0]=4 536 B19R1.110125 O=C(CCCCCO)NCCC1CCCCCCC1 WXVL_AK2380SB2973 [0,1,0,1,0,0|2,0,0]=4 537 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)C WXVL_AK00811SB2796 [0,1,0,1,0,0|1,0,0]=3 538 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)C WXVL_AK00811SB2796 [0,1,0,1,0,0|1,0,0]=3 539 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)O WXVL_AK0301SB2796 [0,1,0,1,0,0|1,0,0]=3 540 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)O WXVL_AK0301SB2796 [0,1,0,1,0,0|1,0,0]=3 541 B19R1.293391 CCCCC(O)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB3429 [0,1,0,1,0,0|2,0,0]=4 542 B19R1.293391 CCCCC(O)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB3429 [0,1,0,1,0,0|2,0,0]=4 543 B19R1.499287 CCCCCCCCCCNC(=O)C1(CCCC1)C WXVL_AK1845SB0209 [0,1,0,1,0,0|2,0,0]=4 544 B19R1.499287 CCCCCCCCCCNC(=O)C1(CCCC1)C WXVL_AK1845SB0209 [0,1,0,1,0,0|2,0,0]=4 545 B19R1.342 CCCCCCCCCCCCC(=O)N1CCCC1 WXVL_AN0008SB0547 [0,1,0,1,0,0|1,0,0]=3 546 B19R1.342 CCCCCCCCCCCCC(=O)N1CCCC1 WXVL_AN0008SB0547 [0,1,0,1,0,0|1,0,0]=3 547 B19R1.342 O=C(CCCCCCCCCCCBr)N1CCCC1 WXVL_AN0008SB0603 [0,1,0,1,0,0|1,0,0]=3 548 B19R1.342 O=C(CCCCCCCCCCCBr)N1CCCC1 WXVL_AN0008SB0603 [0,1,0,1,0,0|1,0,0]=3 549 B19R1.342 O=C(NCCCCCCCCCCO)C1CCCC1 WXVL_AK3148SB0043 [0,1,0,1,0,0|2,0,0]=4 550 B19R1.342 O=C(NCCCCCCCCCCO)C1CCCC1 WXVL_AK3148SB0043 [0,1,0,1,0,0|2,0,0]=4 551 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CNC1 WXVL_AK1291SB0547 [0,1,0,1,0,0|2,0,0]=4 552 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CNC1 WXVL_AK1291SB0547 [0,1,0,1,0,0|2,0,0]=4 553 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CSC1 WXVL_AK2089SB0547 [0,1,0,1,0,0|2,0,0]=4 554 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CSC1 WXVL_AK2089SB0547 [0,1,0,1,0,0|2,0,0]=4 555 B19R1.16481 O=C(CC1CCC1)NCCCCCCCCCCO WXVL_AK3148SB2207 [0,1,0,1,0,0|2,0,0]=4 556 B19R1.16481 O=C(CC1CCC1)NCCCCCCCCCCO WXVL_AK3148SB2207 [0,1,0,1,0,0|2,0,0]=4 557 B19R1.16481 O=C(CCCCCCCCCCCBr)NC1CNC1 WXVL_AK1291SB0603 [0,1,0,1,0,0|2,0,0]=4 558 B19R1.16481 O=C(CCCCCCCCCCCBr)NC1CNC1 WXVL_AK1291SB0603 [0,1,0,1,0,0|2,0,0]=4 559 B19R1.16481 O=C(CCCCCCCCCCCBr)NC1CSC1 WXVL_AK2089SB0603 [0,1,0,1,0,0|2,0,0]=4 560 B19R1.16481 O=C(CCCCCCCCCCCBr)NC1CSC1 WXVL_AK2089SB0603 [0,1,0,1,0,0|2,0,0]=4 561 B19R1.16482 O=C(CCC1CC1)NCCCCCCCCCCO WXVL_AK3148SB5360 [0,1,0,1,0,0|2,0,0]=4 562 B19R1.16482 O=C(CCC1CC1)NCCCCCCCCCCO WXVL_AK3148SB5360 [0,1,0,1,0,0|2,0,0]=4 563 B19R2.113744 O=C(NCCC1CCCCCCC1)C2CCCC2 WXVL_AK2380SB0043 [0,0,0,2,0,0|2,0,0]=4 564 B19R2.113744 O=C(NCCC1CCCCCCC1)C2CCCC2 WXVL_AK2380SB0043 [0,0,0,2,0,0|2,0,0]=4 565 B19R2.6102594 O=C(CCC1CC1)NCCC2CCCCCCC2 WXVL_AK2380SB5360 [0,0,0,2,0,0|2,0,0]=4 566 B19R2.6102594 O=C(CCC1CC1)NCCC2CCCCCCC2 WXVL_AK2380SB5360 [0,0,0,2,0,0|2,0,0]=4 567 B19R2.6102631 O=C(CC1CCC1)NCCC2CCCCCCC2 WXVL_AK2380SB2207 [0,0,0,2,0,0|2,0,0]=4 568 B19R2.6102631 O=C(CC1CCC1)NCCC2CCCCCCC2 WXVL_AK2380SB2207 [0,0,0,2,0,0|2,0,0]=4