0 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.81 C#CCCCNC(=O)CCC=C WXVL_AK00218SB1035 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.81 C#CCCCNC(=O)CCC=C WXVL_AK00218SB1035 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.81 C#CCOCCC(=O)NCC=C WXVL_AK00561SBD927 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.81 C#CCOCCC(=O)NCC=C WXVL_AK00561SBD927 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.81 C=CCCC(=O)NCCCCO WXVL_AK0075SB1035 [0,0,0,0,0,0|3,0,0]=3 9 B11R0.81 C=CCCC(=O)NCCCCO WXVL_AK0075SB1035 [0,0,0,0,0,0|3,0,0]=3 10 B11R0.81 C=CCCC(=O)NCCCOC WXVL_AK00637SB1035 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.81 C=CCCC(=O)NCCCOC WXVL_AK00637SB1035 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.81 C=CCCC(=O)NCCCSC WXVL_AK0965SB1035 [0,0,0,0,0,0|3,0,0]=3 13 B11R0.81 C=CCCC(=O)NCCCSC WXVL_AK0965SB1035 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.81 C=CCCC(=O)NCCSCC WXVL_AK00494SB1035 [0,0,0,0,0,0|3,0,0]=3 15 B11R0.81 C=CCCC(=O)NCCSCC WXVL_AK00494SB1035 [0,0,0,0,0,0|3,0,0]=3 16 B11R0.81 C=CCNC(=O)CCCCCBr WXVL_AK00561SB2192 [0,0,0,0,0,0|2,0,0]=2 17 B11R0.81 C=CCNC(=O)CCCCCBr WXVL_AK00561SB2192 [0,0,0,0,0,0|2,0,0]=2 18 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,0,0,0,0,0|2,0,0]=2 19 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,0,0,0,0,0|2,0,0]=2 20 B11R0.81 C=CCNC(=O)COCCOC WXVL_AK00561SB0159 [0,0,0,0,0,0|3,0,0]=3 21 B11R0.81 C=CCNC(=O)COCCOC WXVL_AK00561SB0159 [0,0,0,0,0,0|3,0,0]=3 22 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.81 N#CCNC(=O)CCCCCBr WXVL_AK0683SB2192 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.81 N#CCNC(=O)CCCCCBr WXVL_AK0683SB2192 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.81 N#CCNC(=O)CCCCCO WXVL_AK0683SB2973 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.81 N#CCNC(=O)CCCCCO WXVL_AK0683SB2973 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,0,0,0,0,0|3,0,1]=4 38 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,0,0,0,0,0|3,0,1]=4 39 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [1,0,0,0,0,0|1,0,2]=4 41 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [1,0,0,0,0,0|1,0,2]=4 42 B10R0.1 C#CCCCNC(=O)CC=C WXVL_AK00218SB2732 [1,0,0,0,0,0|1,0,2]=4 43 B10R0.1 C#CCCCNC(=O)CC=C WXVL_AK00218SB2732 [1,0,0,0,0,0|1,0,2]=4 44 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,0,0,0,0,0|1,0,2]=4 45 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,0,0,0,0,0|1,0,2]=4 46 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [1,0,0,0,0,0|1,0,0]=2 47 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [1,0,0,0,0,0|1,0,0]=2 48 B10R0.1 C=CCC(=O)NCCCCO WXVL_AK0075SB2732 [1,0,0,0,0,0|2,0,0]=3 49 B10R0.1 C=CCC(=O)NCCCCO WXVL_AK0075SB2732 [1,0,0,0,0,0|2,0,0]=3 50 B10R0.1 C=CCC(=O)NCCCOC WXVL_AK00637SB2732 [1,0,0,0,0,0|2,0,0]=3 51 B10R0.1 C=CCC(=O)NCCCOC WXVL_AK00637SB2732 [1,0,0,0,0,0|2,0,0]=3 52 B10R0.1 C=CCC(=O)NCCCSC WXVL_AK0965SB2732 [1,0,0,0,0,0|2,0,0]=3 53 B10R0.1 C=CCC(=O)NCCCSC WXVL_AK0965SB2732 [1,0,0,0,0,0|2,0,0]=3 54 B10R0.1 C=CCC(=O)NCCSCC WXVL_AK00494SB2732 [1,0,0,0,0,0|2,0,0]=3 55 B10R0.1 C=CCC(=O)NCCSCC WXVL_AK00494SB2732 [1,0,0,0,0,0|2,0,0]=3 56 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,0,0,0,0|1,0,2]=4 60 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,0,0,0,0|2,0,1]=4 61 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,0,0,0,0|2,0,1]=4 62 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,0,0,0,0|2,0,1]=4 65 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,0,0,0,0|2,0,1]=4 66 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.91 C#CCCCC(=O)NCC=C WXVL_AK00561SB2709 [1,0,0,0,0,0|1,0,2]=4 69 B10R0.91 C#CCCCC(=O)NCC=C WXVL_AK00561SB2709 [1,0,0,0,0,0|1,0,2]=4 70 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [1,0,0,0,0,0|2,0,0]=3 71 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [1,0,0,0,0,0|2,0,0]=3 72 B10R0.91 C=CCCC(=O)NCCCO WXVL_AK0073SB1035 [1,0,0,0,0,0|3,0,0]=4 73 B10R0.91 C=CCCC(=O)NCCCO WXVL_AK0073SB1035 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.91 C=CCCC(=O)NCCSC WXVL_AK00440SB1035 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.91 C=CCCC(=O)NCCSC WXVL_AK00440SB1035 [1,0,0,0,0,0|3,0,0]=4 76 B10R0.91 C=CCCCC(=O)NCC=C WXVL_AK00561SB2920 [1,0,0,0,0,0|1,0,2]=4 77 B10R0.91 C=CCCCC(=O)NCC=C WXVL_AK00561SB2920 [1,0,0,0,0,0|1,0,2]=4 78 B10R0.91 C=CCNC(=O)C/C=C/CC WXVL_AK00561SB0349 [1,0,0,0,0,0|1,0,2]=4 79 B10R0.91 C=CCNC(=O)C/C=C/CC WXVL_AK00561SB0349 [1,0,0,0,0,0|1,0,2]=4 80 B10R0.91 C=CCNC(=O)CCCCBr WXVL_AK00561SB3153 [1,0,0,0,0,0|2,0,0]=3 81 B10R0.91 C=CCNC(=O)CCCCBr WXVL_AK00561SB3153 [1,0,0,0,0,0|2,0,0]=3 82 B10R0.91 C=CCNC(=O)CCCCCl WXVL_AK00561SB0379 [1,0,0,0,0,0|2,0,0]=3 83 B10R0.91 C=CCNC(=O)CCCCCl WXVL_AK00561SB0379 [1,0,0,0,0,0|2,0,0]=3 84 B10R0.91 C=CCNC(=O)NCCCCl WXVL_AK00561YV0130 [1,0,0,0,0,0|3,0,0]=4 85 B10R0.91 C=CCNC(=O)NCCCCl WXVL_AK00561YV0130 [1,0,0,0,0,0|3,0,0]=4 86 B12R0.47 C/C=C/C=C/C(=O)NCCCCC WXVL_AK0076SB0348 [0,1,0,0,0,0|2,0,1]=4 87 B12R0.47 C/C=C/C=C/C(=O)NCCCCC WXVL_AK0076SB0348 [0,1,0,0,0,0|2,0,1]=4 88 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,1,0,0,0,0|2,0,0]=3 89 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,1,0,0,0,0|2,0,0]=3 90 B12R0.47 C=CCCCC(=O)NCCCCO WXVL_AK0075SB2920 [0,1,0,0,0,0|3,0,0]=4 91 B12R0.47 C=CCCCC(=O)NCCCCO WXVL_AK0075SB2920 [0,1,0,0,0,0|3,0,0]=4 92 B12R0.47 C=CCCCC(=O)NCCCOC WXVL_AK00637SB2920 [0,1,0,0,0,0|3,0,0]=4 93 B12R0.47 C=CCCCC(=O)NCCCOC WXVL_AK00637SB2920 [0,1,0,0,0,0|3,0,0]=4 94 B12R0.47 C=CCCCC(=O)NCCCSC WXVL_AK0965SB2920 [0,1,0,0,0,0|3,0,0]=4 95 B12R0.47 C=CCCCC(=O)NCCCSC WXVL_AK0965SB2920 [0,1,0,0,0,0|3,0,0]=4 96 B12R0.47 C=CCCCC(=O)NCCSCC WXVL_AK00494SB2920 [0,1,0,0,0,0|3,0,0]=4 97 B12R0.47 C=CCCCC(=O)NCCSCC WXVL_AK00494SB2920 [0,1,0,0,0,0|3,0,0]=4 98 B12R0.47 C=CCCNC(=O)CCCCCBr WXVL_AK00138SB2192 [0,1,0,0,0,0|2,0,0]=3 99 B12R0.47 C=CCCNC(=O)CCCCCBr WXVL_AK00138SB2192 [0,1,0,0,0,0|2,0,0]=3 100 B12R0.47 C=CCCNC(=O)CCCCCO WXVL_AK00138SB2973 [0,1,0,0,0,0|2,0,0]=3 101 B12R0.47 C=CCCNC(=O)CCCCCO WXVL_AK00138SB2973 [0,1,0,0,0,0|2,0,0]=3 102 B12R0.47 C=CCCNC(=O)COCCOC WXVL_AK00138SB0159 [0,1,0,0,0,0|3,0,0]=4 103 B12R0.47 C=CCCNC(=O)COCCOC WXVL_AK00138SB0159 [0,1,0,0,0,0|3,0,0]=4 104 B12R0.95 C=CCCC(=O)NCCOC(C)C WXVL_AK0128SB1035 [0,1,0,0,0,0|3,0,0]=4 105 B12R0.95 C=CCCC(=O)NCCOC(C)C WXVL_AK0128SB1035 [0,1,0,0,0,0|3,0,0]=4 106 B12R0.102 C=CCCC(=O)NCCC(C)CO WXVL_AK4143SB1035 [0,1,0,0,0,0|3,0,0]=4 107 B12R0.102 C=CCCC(=O)NCCC(C)CO WXVL_AK4143SB1035 [0,1,0,0,0,0|3,0,0]=4 108 B12R0.113 C=CC(C)NC(=O)CCCCCBr WXVL_AK00769SB2192 [0,1,0,0,0,0|2,0,0]=3 109 B12R0.113 C=CC(C)NC(=O)CCCCCBr WXVL_AK00769SB2192 [0,1,0,0,0,0|2,0,0]=3 110 B12R0.113 C=CC(C)NC(=O)CCCCCO WXVL_AK00769SB2973 [0,1,0,0,0,0|2,0,0]=3 111 B12R0.113 C=CC(C)NC(=O)CCCCCO WXVL_AK00769SB2973 [0,1,0,0,0,0|2,0,0]=3 112 B12R0.113 C=CC(C)NC(=O)COCCOC WXVL_AK00769SB0159 [0,1,0,0,0,0|3,0,0]=4 113 B12R0.113 C=CC(C)NC(=O)COCCOC WXVL_AK00769SB0159 [0,1,0,0,0,0|3,0,0]=4 114 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,1,0,0,0,0|1,0,2]=4 115 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,1,0,0,0,0|1,0,2]=4 116 B12R0.206 C#CCCCCNC(=O)CCC=C WXVL_AK00614SB1035 [0,1,0,0,0,0|1,0,2]=4 117 B12R0.206 C#CCCCCNC(=O)CCC=C WXVL_AK00614SB1035 [0,1,0,0,0,0|1,0,2]=4 118 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,1,0,0,0,0|1,0,0]=2 119 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,1,0,0,0,0|1,0,0]=2 120 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,1,0,0,0,0|2,0,0]=3 121 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,1,0,0,0,0|2,0,0]=3 122 B12R0.206 C=CCCC(=O)NCCCOCC WXVL_AK0072SB1035 [0,1,0,0,0,0|2,0,0]=3 123 B12R0.206 C=CCCC(=O)NCCCOCC WXVL_AK0072SB1035 [0,1,0,0,0,0|2,0,0]=3 124 B12R0.206 C=CCCC(=O)NCCNCCO WXVL_AK0954SB1035 [0,1,0,0,0,0|3,0,0]=4 125 B12R0.206 C=CCCC(=O)NCCNCCO WXVL_AK0954SB1035 [0,1,0,0,0,0|3,0,0]=4 126 B12R0.206 C=CCNC(=O)/C=C/CCCCC WXVL_AK00561SB3331 [0,1,0,0,0,0|1,0,1]=3 127 B12R0.206 C=CCNC(=O)/C=C/CCCCC WXVL_AK00561SB3331 [0,1,0,0,0,0|1,0,1]=3 128 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,1,0,0,0,0|1,0,0]=2 129 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,1,0,0,0,0|1,0,0]=2 130 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,1,0,0,0,0|1,0,0]=2 131 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,1,0,0,0,0|1,0,0]=2 132 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,1,0,0,0,0|2,0,1]=4 133 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,1,0,0,0,0|2,0,1]=4 134 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,0,0,0,0|1,0,2]=4 135 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,0,0,0,0|1,0,2]=4 136 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,1,0,0,0,0|2,0,1]=4 137 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,1,0,0,0,0|2,0,1]=4 138 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,0,0,0,0|2,0,1]=4 139 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,0,0,0,0|2,0,1]=4 140 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,0,0,0,0|2,0,1]=4 141 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,0,0,0,0|2,0,1]=4 142 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,1,0,0,0,0|2,0,1]=4 143 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,1,0,0,0,0|2,0,1]=4 144 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,1,0,0,0,0|1,0,2]=4 145 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,1,0,0,0,0|1,0,2]=4 146 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,1,0,0,0,0|2,0,1]=4 147 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,1,0,0,0,0|2,0,1]=4 148 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,1,0,0,0,0|2,0,1]=4 149 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,1,0,0,0,0|2,0,1]=4 150 B12R0.255 C=C(C)CNC(=O)CCCCCBr WXVL_AK0761SB2192 [0,1,0,0,0,0|2,0,0]=3 151 B12R0.255 C=C(C)CNC(=O)CCCCCBr WXVL_AK0761SB2192 [0,1,0,0,0,0|2,0,0]=3 152 B12R0.255 C=C(C)CNC(=O)CCCCCO WXVL_AK0761SB2973 [0,1,0,0,0,0|2,0,0]=3 153 B12R0.255 C=C(C)CNC(=O)CCCCCO WXVL_AK0761SB2973 [0,1,0,0,0,0|2,0,0]=3 154 B12R0.255 C=C(C)CNC(=O)COCCOC WXVL_AK0761SB0159 [0,1,0,0,0,0|3,0,0]=4 155 B12R0.255 C=C(C)CNC(=O)COCCOC WXVL_AK0761SB0159 [0,1,0,0,0,0|3,0,0]=4 156 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,1,0,0,0,0|2,0,1]=4 157 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,1,0,0,0,0|2,0,1]=4 158 B12R0.255 CCCCCNC(=O)CCC(=O)N WXVL_AK0076SB0358 [0,1,0,0,0,0|3,0,0]=4 159 B12R0.255 CCCCCNC(=O)CCC(=O)N WXVL_AK0076SB0358 [0,1,0,0,0,0|3,0,0]=4 160 B12R0.255 NC(=O)CNC(=O)CCCCCBr WXVL_AK0147SB2192 [0,1,0,0,0,0|3,0,0]=4 161 B12R0.255 NC(=O)CNC(=O)CCCCCBr WXVL_AK0147SB2192 [0,1,0,0,0,0|3,0,0]=4 162 B12R0.255 NC(=O)CNC(=O)CCCCCO WXVL_AK0147SB2973 [0,1,0,0,0,0|3,0,0]=4 163 B12R0.255 NC(=O)CNC(=O)CCCCCO WXVL_AK0147SB2973 [0,1,0,0,0,0|3,0,0]=4 164 B12R0.648 C=CCNC(=O)C(C)CCCCC WXVL_AK00561SB0394 [0,1,0,0,0,0|1,0,0]=2 165 B12R0.648 C=CCNC(=O)C(C)CCCCC WXVL_AK00561SB0394 [0,1,0,0,0,0|1,0,0]=2 166 B12R0.648 CCCCCC(C)C(=O)NCC#N WXVL_AK0683SB0394 [0,1,0,0,0,0|2,0,1]=4 167 B12R0.648 CCCCCC(C)C(=O)NCC#N WXVL_AK0683SB0394 [0,1,0,0,0,0|2,0,1]=4 168 B12R0.648 CCCCCC(C)C(=O)NCCC WXVL_AK00504SB0394 [0,1,0,0,0,0|1,0,2]=4 169 B12R0.648 CCCCCC(C)C(=O)NCCC WXVL_AK00504SB0394 [0,1,0,0,0,0|1,0,2]=4 170 B12R0.648 CCCCCC(C)C(=O)NCCF WXVL_AK00466SB0394 [0,1,0,0,0,0|2,0,1]=4 171 B12R0.648 CCCCCC(C)C(=O)NCCF WXVL_AK00466SB0394 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.30 C=CCCC(=O)N1CCOCC1 WXVL_AN00478SB1035 [0,0,0,1,0,0|3,0,0]=4 173 B12R1.30 C=CCCC(=O)N1CCOCC1 WXVL_AN00478SB1035 [0,0,0,1,0,0|3,0,0]=4 174 B12R1.30 C=CCCC(=O)N1CCSCC1 WXVL_AN0896SB1035 [0,0,0,1,0,0|3,0,0]=4 175 B12R1.30 C=CCNC(=O)C1CC=CCC1 WXVL_AK00561SB3640 [0,0,0,1,0,0|1,0,2]=4 176 B12R1.30 C=CCNC(=O)C1CC=CCC1 WXVL_AK00561SB3640 [0,0,0,1,0,0|1,0,2]=4 177 B12R1.30 C=CCNC(=O)C1CCCCC1 WXVL_AK00561SB0047 [0,0,0,1,0,0|1,0,0]=2 178 B12R1.30 C=CCNC(=O)C1CCCCC1 WXVL_AK00561SB0047 [0,0,0,1,0,0|1,0,0]=2 179 B12R1.30 C=CCNC(=O)C1CCCCO1 WXVL_AK00561SB0206 [0,0,0,1,0,0|2,0,0]=3 180 B12R1.30 C=CCNC(=O)C1CCCCO1 WXVL_AK00561SB0206 [0,0,0,1,0,0|2,0,0]=3 181 B12R1.30 C=CCNC(=O)C1CCOCC1 WXVL_AK00561SB0149 [0,0,0,1,0,0|2,0,0]=3 182 B12R1.30 C=CCNC(=O)C1CCOCC1 WXVL_AK00561SB0149 [0,0,0,1,0,0|2,0,0]=3 183 B12R1.30 C=CCNC(=O)C1CCSCC1 WXVL_AK00561SB0752 [0,0,0,1,0,0|2,0,0]=3 184 B12R1.30 C=CCNC(=O)C1CCSCC1 WXVL_AK00561SB0752 [0,0,0,1,0,0|2,0,0]=3 185 B12R1.30 C=CCNC(=O)[C@H]1CCCCO1 WXVL_AK00561SB00044 [0,0,0,1,0,0|2,0,0]=3 186 B12R1.30 C=CCNC(=O)[C@H]1CCCCO1 WXVL_AK00561SB00044 [0,0,0,1,0,0|2,0,0]=3 187 B12R1.30 CCCNC(=O)C1CCCCC1 WXVL_AK00504SB0047 [0,0,0,1,0,0|1,0,2]=4 188 B12R1.30 CCCNC(=O)C1CCCCC1 WXVL_AK00504SB0047 [0,0,0,1,0,0|1,0,2]=4 189 B12R1.30 N#CCNC(=O)C1CCCCC1 WXVL_AK0683SB0047 [0,0,0,1,0,0|2,0,1]=4 190 B12R1.30 N#CCNC(=O)C1CCCCC1 WXVL_AK0683SB0047 [0,0,0,1,0,0|2,0,1]=4 191 B12R1.30 O=C(NCCF)C1CCCCC1 WXVL_AK00466SB0047 [0,0,0,1,0,0|2,0,1]=4 192 B12R1.30 O=C(NCCF)C1CCCCC1 WXVL_AK00466SB0047 [0,0,0,1,0,0|2,0,1]=4 193 B12R1.53 C=CCNC(=O)CC1CCCC1 WXVL_AK00561SB0044 [0,0,0,1,0,0|1,0,0]=2 194 B12R1.53 C=CCNC(=O)CC1CCCC1 WXVL_AK00561SB0044 [0,0,0,1,0,0|1,0,0]=2 195 B12R1.53 C=CCNC(=O)CN1CCCC1 WXVL_AK00561SB0201 [0,0,0,1,0,0|2,0,0]=3 196 B12R1.53 C=CCNC(=O)CN1CCCC1 WXVL_AK00561SB0201 [0,0,0,1,0,0|2,0,0]=3 197 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,0,0,1,0,0|1,0,2]=4 198 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,0,0,1,0,0|1,0,2]=4 199 B12R1.53 N#CCNC(=O)CC1CCCC1 WXVL_AK0683SB0044 [0,0,0,1,0,0|2,0,1]=4 200 B12R1.53 N#CCNC(=O)CC1CCCC1 WXVL_AK0683SB0044 [0,0,0,1,0,0|2,0,1]=4 201 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,0,0,1,0,0|2,0,1]=4 202 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,0,0,1,0,0|2,0,1]=4 203 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB1035 [0,0,0,1,0,0|2,0,0]=3 204 B12R1.460 C=CCNC(=O)C1CCCC1C WXVL_AK00561SB0904 [0,0,0,1,0,0|1,0,0]=2 205 B12R1.460 C=CCNC(=O)C1CCCC1C WXVL_AK00561SB0904 [0,0,0,1,0,0|1,0,0]=2 206 B12R1.460 C=CCNC(=O)[C@@H]1CCCN1C WXVL_AK00561SB1197 [0,0,0,1,0,0|2,0,0]=3 207 B12R1.460 C=CCNC(=O)[C@@H]1CCCN1C WXVL_AK00561SB1197 [0,0,0,1,0,0|2,0,0]=3 208 B12R1.460 CC1CCCC1C(=O)NCC#N WXVL_AK0683SB0904 [0,0,0,1,0,0|2,0,1]=4 209 B12R1.460 CC1CCCC1C(=O)NCC#N WXVL_AK0683SB0904 [0,0,0,1,0,0|2,0,1]=4 210 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,0,0,1,0,0|2,0,1]=4 211 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,0,0,1,0,0|2,0,1]=4 212 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,0,0,1,0,0|1,0,2]=4 213 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,0,0,1,0,0|1,0,2]=4 214 B12R1.461 C=CCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB1035 [0,0,0,1,0,0|3,0,0]=4 215 B12R1.461 C=CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB1035 [0,0,0,1,0,0|3,0,0]=4 216 B12R1.461 C=CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB1035 [0,0,0,1,0,0|3,0,0]=4 217 B12R1.463 C=CCCC(=O)NCC1CCC1 WXVL_AK00492SB1035 [0,0,0,1,0,0|2,0,0]=3 218 B12R1.463 C=CCCC(=O)NCC1CCC1 WXVL_AK00492SB1035 [0,0,0,1,0,0|2,0,0]=3 219 B12R1.463 C=CCCC(=O)NCC1CCO1 WXVL_AK1433SB1035 [0,0,0,1,0,0|3,0,0]=4 220 B12R1.463 C=CCCC(=O)NCC1CCO1 WXVL_AK1433SB1035 [0,0,0,1,0,0|3,0,0]=4 221 B12R1.463 C=CCCC(=O)NCC1COC1 WXVL_AK0186SB1035 [0,0,0,1,0,0|3,0,0]=4 222 B12R1.463 C=CCCC(=O)NCC1COC1 WXVL_AK0186SB1035 [0,0,0,1,0,0|3,0,0]=4 223 B12R1.463 C=CCNC(=O)CCC1CCC1 WXVL_AK00561SB8784 [0,0,0,1,0,0|1,0,0]=2 224 B12R1.463 C=CCNC(=O)CCC1CCC1 WXVL_AK00561SB8784 [0,0,0,1,0,0|1,0,0]=2 225 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,0,0,1,0,0|1,0,2]=4 226 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,0,0,1,0,0|1,0,2]=4 227 B12R1.463 N#CCNC(=O)CCC1CCC1 WXVL_AK0683SB8784 [0,0,0,1,0,0|2,0,1]=4 228 B12R1.463 N#CCNC(=O)CCC1CCC1 WXVL_AK0683SB8784 [0,0,0,1,0,0|2,0,1]=4 229 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,0,0,1,0,0|2,0,1]=4 230 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,0,0,1,0,0|2,0,1]=4 231 B12R1.464 C=CCCC(=O)NCCC1CC1 WXVL_AK00594SB1035 [0,0,0,1,0,0|2,0,0]=3 232 B12R1.464 C=CCCC(=O)NCCC1CC1 WXVL_AK00594SB1035 [0,0,0,1,0,0|2,0,0]=3 233 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [2,0,0,0,0,0|1,0,0]=3 234 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [2,0,0,0,0,0|1,0,0]=3 235 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [2,0,0,0,0,0|2,0,0]=4 236 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [2,0,0,0,0,0|2,0,0]=4 237 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [2,0,0,0,0,0|2,0,0]=4 238 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [2,0,0,0,0,0|2,0,0]=4 239 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|1,0,1]=4 240 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|1,0,1]=4 241 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [2,0,0,0,0,0|2,0,0]=4 242 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [2,0,0,0,0,0|2,0,0]=4 243 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 244 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 245 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 246 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 247 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [2,0,0,0,0,0|2,0,0]=4 248 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [2,0,0,0,0,0|2,0,0]=4 249 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [2,0,0,0,0,0|2,0,0]=4 250 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [2,0,0,0,0,0|2,0,0]=4 251 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [2,0,0,0,0,0|2,0,0]=4 252 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [2,0,0,0,0,0|2,0,0]=4 253 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [2,0,0,0,0,0|2,0,0]=4 254 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [2,0,0,0,0,0|2,0,0]=4 255 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [2,0,0,0,0,0|2,0,0]=4 256 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [2,0,0,0,0,0|2,0,0]=4 257 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [1,1,0,0,0,0|0,0,2]=4 258 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [1,1,0,0,0,0|0,0,2]=4 259 B11R0.4 C#CCCCCNC(=O)CC=C WXVL_AK00614SB2732 [1,1,0,0,0,0|0,0,2]=4 260 B11R0.4 C#CCCCCNC(=O)CC=C WXVL_AK00614SB2732 [1,1,0,0,0,0|0,0,2]=4 261 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,1,0,0,0,0|0,0,2]=4 262 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,1,0,0,0,0|0,0,2]=4 263 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [1,1,0,0,0,0|0,0,0]=2 264 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [1,1,0,0,0,0|0,0,0]=2 265 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [1,1,0,0,0,0|1,0,0]=3 266 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [1,1,0,0,0,0|1,0,0]=3 267 B11R0.4 C=CCC(=O)NCCCOCC WXVL_AK0072SB2732 [1,1,0,0,0,0|1,0,0]=3 268 B11R0.4 C=CCC(=O)NCCCOCC WXVL_AK0072SB2732 [1,1,0,0,0,0|1,0,0]=3 269 B11R0.4 C=CCC(=O)NCCNCCO WXVL_AK0954SB2732 [1,1,0,0,0,0|2,0,0]=4 270 B11R0.4 C=CCC(=O)NCCNCCO WXVL_AK0954SB2732 [1,1,0,0,0,0|2,0,0]=4 271 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [1,1,0,0,0,0|1,0,1]=4 272 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [1,1,0,0,0,0|1,0,1]=4 273 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [1,1,0,0,0,0|1,0,1]=4 274 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [1,1,0,0,0,0|1,0,1]=4 275 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [1,1,0,0,0,0|0,0,2]=4 276 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [1,1,0,0,0,0|0,0,2]=4 277 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [1,1,0,0,0,0|1,0,1]=4 278 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [1,1,0,0,0,0|1,0,1]=4 279 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [1,1,0,0,0,0|1,0,1]=4 280 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [1,1,0,0,0,0|1,0,1]=4 281 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [1,1,0,0,0,0|1,0,1]=4 282 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [1,1,0,0,0,0|1,0,1]=4 283 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [1,1,0,0,0,0|1,0,1]=4 284 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [1,1,0,0,0,0|1,0,1]=4 285 B11R0.174 C=CCC(=O)NCCC(C)CO WXVL_AK4143SB2732 [1,1,0,0,0,0|2,0,0]=4 286 B11R0.174 C=CCC(=O)NCCC(C)CO WXVL_AK4143SB2732 [1,1,0,0,0,0|2,0,0]=4 287 B11R0.176 C=CCC(=O)NCCOC(C)C WXVL_AK0128SB2732 [1,1,0,0,0,0|2,0,0]=4 288 B11R0.176 C=CCC(=O)NCCOC(C)C WXVL_AK0128SB2732 [1,1,0,0,0,0|2,0,0]=4 289 B11R0.304 C=CCS(=O)(=O)NCCCCC WXVL_AK0076HU0152 [1,1,0,0,0,0|2,0,0]=4 290 B11R0.304 C=CCS(=O)(=O)NCCCCC WXVL_AK0076HU0152 [1,1,0,0,0,0|2,0,0]=4 291 B11R0.11 C=CCNC(=O)C(O)CCCC WXVL_AK00561SB3429 [1,1,0,0,0,0|1,0,0]=3 292 B11R0.11 C=CCNC(=O)C(O)CCCC WXVL_AK00561SB3429 [1,1,0,0,0,0|1,0,0]=3 293 B11R0.46 C=C(C)CNC(=O)CCCCBr WXVL_AK0761SB3153 [1,1,0,0,0,0|2,0,0]=4 294 B11R0.46 C=C(C)CNC(=O)CCCCBr WXVL_AK0761SB3153 [1,1,0,0,0,0|2,0,0]=4 295 B11R0.46 C=C(C)CNC(=O)CCCCCl WXVL_AK0761SB0379 [1,1,0,0,0,0|2,0,0]=4 296 B11R0.46 C=C(C)CNC(=O)CCCCCl WXVL_AK0761SB0379 [1,1,0,0,0,0|2,0,0]=4 297 B11R0.147 C=CCCC(=O)NCCC(C)C WXVL_AK0068SB1035 [1,1,0,0,0,0|2,0,0]=4 298 B11R0.147 C=CCCC(=O)NCCC(C)C WXVL_AK0068SB1035 [1,1,0,0,0,0|2,0,0]=4 299 B11R0.147 C=CCNC(=O)CCCC(C)C WXVL_AK00561SB1301 [1,1,0,0,0,0|1,0,0]=3 300 B11R0.147 C=CCNC(=O)CCCC(C)C WXVL_AK00561SB1301 [1,1,0,0,0,0|1,0,0]=3 301 B11R0.147 C=CCNC(=O)CCCN(C)C WXVL_AK00561SB00055 [1,1,0,0,0,0|2,0,0]=4 302 B11R0.147 C=CCNC(=O)CCCN(C)C WXVL_AK00561SB00055 [1,1,0,0,0,0|2,0,0]=4 303 B11R0.154 C=CC(C)NC(=O)CCCCBr WXVL_AK00769SB3153 [1,1,0,0,0,0|2,0,0]=4 304 B11R0.154 C=CC(C)NC(=O)CCCCBr WXVL_AK00769SB3153 [1,1,0,0,0,0|2,0,0]=4 305 B11R0.154 C=CC(C)NC(=O)CCCCCl WXVL_AK00769SB0379 [1,1,0,0,0,0|2,0,0]=4 306 B11R0.154 C=CC(C)NC(=O)CCCCCl WXVL_AK00769SB0379 [1,1,0,0,0,0|2,0,0]=4 307 B13R0.1 CCCCCNC(=O)CCC=C(C)C WXVL_AK0076SB00030 [0,2,0,0,0,0|2,0,0]=4 308 B13R0.1 CCCCCNC(=O)CCC=C(C)C WXVL_AK0076SB00030 [0,2,0,0,0,0|2,0,0]=4 309 B13R0.338 C/C=C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0348 [0,2,0,0,0,0|1,0,1]=4 310 B13R0.338 C/C=C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0348 [0,2,0,0,0,0|1,0,1]=4 311 B13R0.338 C=CCCCC(=O)NCCCCCC WXVL_AK0286SB2920 [0,2,0,0,0,0|1,0,0]=3 312 B13R0.338 C=CCCCC(=O)NCCCCCC WXVL_AK0286SB2920 [0,2,0,0,0,0|1,0,0]=3 313 B13R0.338 C=CCCCC(=O)NCCCCCO WXVL_AK0077SB2920 [0,2,0,0,0,0|2,0,0]=4 314 B13R0.338 C=CCCCC(=O)NCCCCCO WXVL_AK0077SB2920 [0,2,0,0,0,0|2,0,0]=4 315 B13R0.338 C=CCCCC(=O)NCCCOCC WXVL_AK0072SB2920 [0,2,0,0,0,0|2,0,0]=4 316 B13R0.338 C=CCCCC(=O)NCCCOCC WXVL_AK0072SB2920 [0,2,0,0,0,0|2,0,0]=4 317 B13R0.338 C=CCCNC(=O)/C=C/CCCCC WXVL_AK00138SB3331 [0,2,0,0,0,0|1,0,1]=4 318 B13R0.338 C=CCCNC(=O)/C=C/CCCCC WXVL_AK00138SB3331 [0,2,0,0,0,0|1,0,1]=4 319 B13R0.338 C=CCCNC(=O)CCCCCCBr WXVL_AK00138SB1386 [0,2,0,0,0,0|1,0,0]=3 320 B13R0.338 C=CCCNC(=O)CCCCCCBr WXVL_AK00138SB1386 [0,2,0,0,0,0|1,0,0]=3 321 B13R0.338 C=CCCNC(=O)CCCCCCC WXVL_AK00138SB0393 [0,2,0,0,0,0|1,0,0]=3 322 B13R0.338 C=CCCNC(=O)CCCCCCC WXVL_AK00138SB0393 [0,2,0,0,0,0|1,0,0]=3 323 B13R0.398 C=CCCNC(=O)C(C)CCCCC WXVL_AK00138SB0394 [0,2,0,0,0,0|1,0,0]=3 324 B13R0.398 C=CCCNC(=O)C(C)CCCCC WXVL_AK00138SB0394 [0,2,0,0,0,0|1,0,0]=3 325 B13R0.1171 C=CCOC(C)C(=O)NCCCCC WXVL_AK0076SBD933 [0,2,0,0,0,0|1,0,0]=3 326 B13R0.1171 C=CCOC(C)C(=O)NCCCCC WXVL_AK0076SBD933 [0,2,0,0,0,0|1,0,0]=3 327 B13R0.1171 C=CCOC(C)C(=O)NCCCCO WXVL_AK0075SBD933 [0,2,0,0,0,0|2,0,0]=4 328 B13R0.1171 C=CCOC(C)C(=O)NCCCCO WXVL_AK0075SBD933 [0,2,0,0,0,0|2,0,0]=4 329 B13R0.1171 C=CCOC(C)C(=O)NCCCOC WXVL_AK00637SBD933 [0,2,0,0,0,0|2,0,0]=4 330 B13R0.1171 C=CCOC(C)C(=O)NCCCOC WXVL_AK00637SBD933 [0,2,0,0,0,0|2,0,0]=4 331 B13R0.1171 C=CCOC(C)C(=O)NCCCSC WXVL_AK0965SBD933 [0,2,0,0,0,0|2,0,0]=4 332 B13R0.1171 C=CCOC(C)C(=O)NCCCSC WXVL_AK0965SBD933 [0,2,0,0,0,0|2,0,0]=4 333 B13R0.1171 C=CCOC(C)C(=O)NCCSCC WXVL_AK00494SBD933 [0,2,0,0,0,0|2,0,0]=4 334 B13R0.1171 C=CCOC(C)C(=O)NCCSCC WXVL_AK00494SBD933 [0,2,0,0,0,0|2,0,0]=4 335 B13R0.113 C=CCNC(=O)CCCCC(=O)OC WXVL_AK00561SB1209 [0,2,0,0,0,0|1,0,1]=4 336 B13R0.113 C=CCNC(=O)CCCCC(=O)OC WXVL_AK00561SB1209 [0,2,0,0,0,0|1,0,1]=4 337 B13R0.176 C=CCNC(=O)CCC(C)CCCC WXVL_AK00561SB1315 [0,2,0,0,0,0|1,0,0]=3 338 B13R0.176 C=CCNC(=O)CCC(C)CCCC WXVL_AK00561SB1315 [0,2,0,0,0,0|1,0,0]=3 339 B13R0.114 C=CCCC(=O)N[C@@H](CO)CCCC WXVL_AK00635SB1035 [0,2,0,0,0,0|2,0,0]=4 340 B13R0.114 C=CCCC(=O)N[C@@H](CO)CCCC WXVL_AK00635SB1035 [0,2,0,0,0,0|2,0,0]=4 341 B13R0.151 C=CC(C)NC(=O)C(C)CCCCC WXVL_AK00769SB0394 [0,2,0,0,0,0|1,0,0]=3 342 B13R0.151 C=CC(C)NC(=O)C(C)CCCCC WXVL_AK00769SB0394 [0,2,0,0,0,0|1,0,0]=3 343 B13R0.274 C=CC(C)NC(=O)/C=C/CCCCC WXVL_AK00769SB3331 [0,2,0,0,0,0|1,0,1]=4 344 B13R0.274 C=CC(C)NC(=O)/C=C/CCCCC WXVL_AK00769SB3331 [0,2,0,0,0,0|1,0,1]=4 345 B13R0.274 C=CC(C)NC(=O)CCCCCCBr WXVL_AK00769SB1386 [0,2,0,0,0,0|1,0,0]=3 346 B13R0.274 C=CC(C)NC(=O)CCCCCCBr WXVL_AK00769SB1386 [0,2,0,0,0,0|1,0,0]=3 347 B13R0.274 C=CC(C)NC(=O)CCCCCCC WXVL_AK00769SB0393 [0,2,0,0,0,0|1,0,0]=3 348 B13R0.274 C=CC(C)NC(=O)CCCCCCC WXVL_AK00769SB0393 [0,2,0,0,0,0|1,0,0]=3 349 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCBr WXVL_AK00581SB2192 [0,2,0,0,0,0|2,0,0]=4 350 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCBr WXVL_AK00581SB2192 [0,2,0,0,0,0|2,0,0]=4 351 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCO WXVL_AK00581SB2973 [0,2,0,0,0,0|2,0,0]=4 352 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCO WXVL_AK00581SB2973 [0,2,0,0,0,0|2,0,0]=4 353 B13R0.1182 C=CCC(C)(C)C(=O)NCCCCC WXVL_AK0076SB0363 [0,2,0,0,0,0|2,0,0]=4 354 B13R0.1182 C=CCC(C)(C)C(=O)NCCCCC WXVL_AK0076SB0363 [0,2,0,0,0,0|2,0,0]=4 355 B13R0.66 C=CCCC(=O)NCCCCCCO WXVL_AK0751SB1035 [0,2,0,0,0,0|1,0,0]=3 356 B13R0.66 C=CCCC(=O)NCCCCCCO WXVL_AK0751SB1035 [0,2,0,0,0,0|1,0,0]=3 357 B13R0.66 C=CCCC(=O)NCCOCCCC WXVL_AK9674SB1035 [0,2,0,0,0,0|1,0,0]=3 358 B13R0.66 C=CCCC(=O)NCCOCCCC WXVL_AK9674SB1035 [0,2,0,0,0,0|1,0,0]=3 359 B13R0.66 C=CCCC(=O)NCCOCCOC WXVL_AK2206SB1035 [0,2,0,0,0,0|2,0,0]=4 360 B13R0.66 C=CCCC(=O)NCCOCCOC WXVL_AK2206SB1035 [0,2,0,0,0,0|2,0,0]=4 361 B13R0.66 C=CCNC(=O)CCCCCCCBr WXVL_AK00561SB0559 [0,2,0,0,0,0|1,0,0]=3 362 B13R0.66 C=CCNC(=O)CCCCCCCBr WXVL_AK00561SB0559 [0,2,0,0,0,0|1,0,0]=3 363 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [0,2,0,0,0,0|1,0,0]=3 364 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [0,2,0,0,0,0|1,0,0]=3 365 B13R0.66 C=CCNC(=O)CCCCCCCO WXVL_AK00561SB1306 [0,2,0,0,0,0|1,0,0]=3 366 B13R0.66 C=CCNC(=O)CCCCCCCO WXVL_AK00561SB1306 [0,2,0,0,0,0|1,0,0]=3 367 B13R0.119 C=CCCC(=O)NCCCCN(C)C WXVL_AK0097SB1035 [0,2,0,0,0,0|2,0,0]=4 368 B13R0.119 C=CCCC(=O)NCCCCN(C)C WXVL_AK0097SB1035 [0,2,0,0,0,0|2,0,0]=4 369 B13R0.154 C=C(C)CNC(=O)/C=C/CCCCC WXVL_AK0761SB3331 [0,2,0,0,0,0|1,0,1]=4 370 B13R0.154 C=C(C)CNC(=O)/C=C/CCCCC WXVL_AK0761SB3331 [0,2,0,0,0,0|1,0,1]=4 371 B13R0.154 C=C(C)CNC(=O)CCCCCCBr WXVL_AK0761SB1386 [0,2,0,0,0,0|1,0,0]=3 372 B13R0.154 C=C(C)CNC(=O)CCCCCCBr WXVL_AK0761SB1386 [0,2,0,0,0,0|1,0,0]=3 373 B13R0.154 C=C(C)CNC(=O)CCCCCCC WXVL_AK0761SB0393 [0,2,0,0,0,0|1,0,0]=3 374 B13R0.154 C=C(C)CNC(=O)CCCCCCC WXVL_AK0761SB0393 [0,2,0,0,0,0|1,0,0]=3 375 B13R0.154 CCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0393 [0,2,0,0,0,0|2,0,0]=4 376 B13R0.154 CCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0393 [0,2,0,0,0,0|2,0,0]=4 377 B13R0.154 CCCCCCNC(=O)CCC(=O)C WXVL_AK0286SB0072 [0,2,0,0,0,0|1,0,1]=4 378 B13R0.154 CCCCCCNC(=O)CCC(=O)C WXVL_AK0286SB0072 [0,2,0,0,0,0|1,0,1]=4 379 B13R0.154 CCCCCCNC(=O)CCC(=O)N WXVL_AK0286SB0358 [0,2,0,0,0,0|2,0,0]=4 380 B13R0.154 CCCCCCNC(=O)CCC(=O)N WXVL_AK0286SB0358 [0,2,0,0,0,0|2,0,0]=4 381 B13R0.154 NC(=O)CNC(=O)CCCCCCBr WXVL_AK0147SB1386 [0,2,0,0,0,0|2,0,0]=4 382 B13R0.154 NC(=O)CNC(=O)CCCCCCBr WXVL_AK0147SB1386 [0,2,0,0,0,0|2,0,0]=4 383 B13R0.139 C=C(C)CNC(=O)C(C)CCCCC WXVL_AK0761SB0394 [0,2,0,0,0,0|1,0,0]=3 384 B13R0.139 C=C(C)CNC(=O)C(C)CCCCC WXVL_AK0761SB0394 [0,2,0,0,0,0|1,0,0]=3 385 B13R0.139 CCCCCC(C)C(=O)NCC(=O)N WXVL_AK0147SB0394 [0,2,0,0,0,0|2,0,0]=4 386 B13R0.139 CCCCCC(C)C(=O)NCC(=O)N WXVL_AK0147SB0394 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.16 C=CCC(=O)N1CCOCC1 WXVL_AN00478SB2732 [1,0,0,1,0,0|2,0,0]=4 388 B11R1.16 C=CCC(=O)N1CCOCC1 WXVL_AN00478SB2732 [1,0,0,1,0,0|2,0,0]=4 389 B11R1.16 C=CCC(=O)N1CCSCC1 WXVL_AN0896SB2732 [1,0,0,1,0,0|2,0,0]=4 390 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [1,0,0,1,0,0|1,0,1]=4 391 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [1,0,0,1,0,0|1,0,1]=4 392 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,1,0,0|1,0,1]=4 393 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,1,0,0|1,0,1]=4 394 B11R1.199 C=CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB2732 [1,0,0,1,0,0|1,0,0]=3 395 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [1,0,0,1,0,0|1,0,1]=4 396 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [1,0,0,1,0,0|1,0,1]=4 397 B11R1.200 C=CCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB2732 [1,0,0,1,0,0|2,0,0]=4 398 B11R1.200 C=CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB2732 [1,0,0,1,0,0|2,0,0]=4 399 B11R1.200 C=CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB2732 [1,0,0,1,0,0|2,0,0]=4 400 B11R1.289 C=CCC(=O)NCC1CCC1 WXVL_AK00492SB2732 [1,0,0,1,0,0|1,0,0]=3 401 B11R1.289 C=CCC(=O)NCC1CCC1 WXVL_AK00492SB2732 [1,0,0,1,0,0|1,0,0]=3 402 B11R1.289 C=CCC(=O)NCC1CCO1 WXVL_AK1433SB2732 [1,0,0,1,0,0|2,0,0]=4 403 B11R1.289 C=CCC(=O)NCC1CCO1 WXVL_AK1433SB2732 [1,0,0,1,0,0|2,0,0]=4 404 B11R1.289 C=CCC(=O)NCC1COC1 WXVL_AK0186SB2732 [1,0,0,1,0,0|2,0,0]=4 405 B11R1.289 C=CCC(=O)NCC1COC1 WXVL_AK0186SB2732 [1,0,0,1,0,0|2,0,0]=4 406 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [1,0,0,1,0,0|1,0,1]=4 407 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [1,0,0,1,0,0|1,0,1]=4 408 B11R1.290 C=CCC(=O)NCCC1CC1 WXVL_AK00594SB2732 [1,0,0,1,0,0|1,0,0]=3 409 B11R1.290 C=CCC(=O)NCCC1CC1 WXVL_AK00594SB2732 [1,0,0,1,0,0|1,0,0]=3 410 B11R1.29 C=CCCC(=O)N1CCCC1 WXVL_AN0008SB1035 [1,0,0,1,0,0|2,0,0]=4 411 B11R1.29 C=CCCC(=O)N1CCCC1 WXVL_AN0008SB1035 [1,0,0,1,0,0|2,0,0]=4 412 B11R1.29 C=CCNC(=O)C1CCCC1 WXVL_AK00561SB0043 [1,0,0,1,0,0|1,0,0]=3 413 B11R1.29 C=CCNC(=O)C1CCCC1 WXVL_AK00561SB0043 [1,0,0,1,0,0|1,0,0]=3 414 B11R1.29 C=CCNC(=O)C1CCCO1 WXVL_AK00561SB1033 [1,0,0,1,0,0|2,0,0]=4 415 B11R1.29 C=CCNC(=O)C1CCCO1 WXVL_AK00561SB1033 [1,0,0,1,0,0|2,0,0]=4 416 B11R1.29 C=CCNC(=O)C1CCCS1 WXVL_AK00561SB0022 [1,0,0,1,0,0|2,0,0]=4 417 B11R1.29 C=CCNC(=O)C1CCCS1 WXVL_AK00561SB0022 [1,0,0,1,0,0|2,0,0]=4 418 B11R1.29 C=CCNC(=O)[C@H]1CCCO1 WXVL_AK00561SB00043 [1,0,0,1,0,0|2,0,0]=4 419 B11R1.29 C=CCNC(=O)[C@H]1CCCO1 WXVL_AK00561SB00043 [1,0,0,1,0,0|2,0,0]=4 420 B11R1.284 C=CCNC(=O)CC1CCC1 WXVL_AK00561SB2207 [1,0,0,1,0,0|1,0,0]=3 421 B11R1.284 C=CCNC(=O)CC1CCC1 WXVL_AK00561SB2207 [1,0,0,1,0,0|1,0,0]=3 422 B11R1.285 C=CCNC(=O)CCC1CC1 WXVL_AK00561SB5360 [1,0,0,1,0,0|1,0,0]=3 423 B11R1.285 C=CCNC(=O)CCC1CC1 WXVL_AK00561SB5360 [1,0,0,1,0,0|1,0,0]=3 424 B13R1.24 C=CCCNC(=O)C1CCCCC1 WXVL_AK00138SB0047 [0,1,0,1,0,0|1,0,0]=3 425 B13R1.24 C=CCCNC(=O)C1CCCCC1 WXVL_AK00138SB0047 [0,1,0,1,0,0|1,0,0]=3 426 B13R1.24 C=CCCNC(=O)C1CCCCO1 WXVL_AK00138SB0206 [0,1,0,1,0,0|2,0,0]=4 427 B13R1.24 C=CCCNC(=O)C1CCCCO1 WXVL_AK00138SB0206 [0,1,0,1,0,0|2,0,0]=4 428 B13R1.24 C=CCCNC(=O)C1CCOCC1 WXVL_AK00138SB0149 [0,1,0,1,0,0|2,0,0]=4 429 B13R1.24 C=CCCNC(=O)C1CCOCC1 WXVL_AK00138SB0149 [0,1,0,1,0,0|2,0,0]=4 430 B13R1.24 C=CCCNC(=O)C1CCSCC1 WXVL_AK00138SB0752 [0,1,0,1,0,0|2,0,0]=4 431 B13R1.24 C=CCCNC(=O)C1CCSCC1 WXVL_AK00138SB0752 [0,1,0,1,0,0|2,0,0]=4 432 B13R1.24 C=CCCNC(=O)[C@H]1CCCCO1 WXVL_AK00138SB00044 [0,1,0,1,0,0|2,0,0]=4 433 B13R1.24 C=CCCNC(=O)[C@H]1CCCCO1 WXVL_AK00138SB00044 [0,1,0,1,0,0|2,0,0]=4 434 B13R1.48 CCCCCNC(=O)c1ccco1 WXVL_AK0076SC0049 [0,1,0,1,0,0|1,0,1]=4 435 B13R1.48 CCCCCNC(=O)c1ccco1 WXVL_AK0076SC0049 [0,1,0,1,0,0|1,0,1]=4 436 B13R1.48 CCCCCNC(=O)c1ccno1 WXVL_AK0076SC0080 [0,1,0,1,0,0|2,0,0]=4 437 B13R1.48 CCCCCNC(=O)c1ccno1 WXVL_AK0076SC0080 [0,1,0,1,0,0|2,0,0]=4 438 B13R1.156 C=CCCNC(=O)CC1CCCC1 WXVL_AK00138SB0044 [0,1,0,1,0,0|1,0,0]=3 439 B13R1.156 C=CCCNC(=O)CC1CCCC1 WXVL_AK00138SB0044 [0,1,0,1,0,0|1,0,0]=3 440 B13R1.156 C=CCCNC(=O)CN1CCCC1 WXVL_AK00138SB0201 [0,1,0,1,0,0|2,0,0]=4 441 B13R1.156 C=CCCNC(=O)CN1CCCC1 WXVL_AK00138SB0201 [0,1,0,1,0,0|2,0,0]=4 442 B13R1.725 C=CCCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB2920 [0,1,0,1,0,0|2,0,0]=4 443 B13R1.725 C=CCCNC(=O)C1CCCC1C WXVL_AK00138SB0904 [0,1,0,1,0,0|1,0,0]=3 444 B13R1.725 C=CCCNC(=O)C1CCCC1C WXVL_AK00138SB0904 [0,1,0,1,0,0|1,0,0]=3 445 B13R1.725 C=CCCNC(=O)[C@@H]1CCCN1C WXVL_AK00138SB1197 [0,1,0,1,0,0|2,0,0]=4 446 B13R1.725 C=CCCNC(=O)[C@@H]1CCCN1C WXVL_AK00138SB1197 [0,1,0,1,0,0|2,0,0]=4 447 B13R1.728 C=CCCCC(=O)NCC1CCC1 WXVL_AK00492SB2920 [0,1,0,1,0,0|2,0,0]=4 448 B13R1.728 C=CCCCC(=O)NCC1CCC1 WXVL_AK00492SB2920 [0,1,0,1,0,0|2,0,0]=4 449 B13R1.728 C=CCCNC(=O)CCC1CCC1 WXVL_AK00138SB8784 [0,1,0,1,0,0|1,0,0]=3 450 B13R1.728 C=CCCNC(=O)CCC1CCC1 WXVL_AK00138SB8784 [0,1,0,1,0,0|1,0,0]=3 451 B13R1.729 C=CCCCC(=O)NCCC1CC1 WXVL_AK00594SB2920 [0,1,0,1,0,0|2,0,0]=4 452 B13R1.729 C=CCCCC(=O)NCCC1CC1 WXVL_AK00594SB2920 [0,1,0,1,0,0|2,0,0]=4 453 B13R1.18 C=CCCC(=O)N1CCCC(C1)Br WXVL_AN00704SB1035 [0,1,0,1,0,0|2,0,0]=4 454 B13R1.18 C=CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB1035 [0,1,0,1,0,0|2,0,0]=4 455 B13R1.18 C=CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB1035 [0,1,0,1,0,0|2,0,0]=4 456 B13R1.18 C=CCCC(=O)N1CCCC(C1)O WXVL_AN0622SB1035 [0,1,0,1,0,0|2,0,0]=4 457 B13R1.18 C=CCCC(=O)N1CCC[C@H](C1)C WXVL_AN00782SB1035 [0,1,0,1,0,0|2,0,0]=4 458 B13R1.18 C=CCCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB1035 [0,1,0,1,0,0|2,0,0]=4 459 B13R1.18 C=CCNC(=O)C1CCCC(C1)C WXVL_AK00561SB5392 [0,1,0,1,0,0|1,0,0]=3 460 B13R1.18 C=CCNC(=O)C1CCCC(C1)C WXVL_AK00561SB5392 [0,1,0,1,0,0|1,0,0]=3 461 B13R1.18 C=CCNC(=O)C1CCCN(C1)C WXVL_AK00561SA00108 [0,1,0,1,0,0|2,0,0]=4 462 B13R1.18 C=CCNC(=O)C1CCCN(C1)C WXVL_AK00561SA00108 [0,1,0,1,0,0|2,0,0]=4 463 B13R1.18 C=CCNC(=O)C1CCCN(C1)C WXVL_AK00561SB1435 [0,1,0,1,0,0|2,0,0]=4 464 B13R1.18 C=CCNC(=O)C1CCCN(C1)C WXVL_AK00561SB1435 [0,1,0,1,0,0|2,0,0]=4 465 B13R1.685 C=CCCC(=O)N1CCCC1(C)C WXVL_AN0313SB1035 [0,1,0,1,0,0|2,0,0]=4 466 B13R1.685 C=CCCC(=O)N1CCCC1(C)C WXVL_AN0313SB1035 [0,1,0,1,0,0|2,0,0]=4 467 B13R1.153 C=CCCC(=O)NCC1CCCC1 WXVL_AK0303SB1035 [0,1,0,1,0,0|1,0,0]=3 468 B13R1.153 C=CCCC(=O)NCC1CCCC1 WXVL_AK0303SB1035 [0,1,0,1,0,0|1,0,0]=3 469 B13R1.153 C=CCCC(=O)NCC1CCOC1 WXVL_AK00634SB1035 [0,1,0,1,0,0|2,0,0]=4 470 B13R1.153 C=CCCC(=O)NCC1CCOC1 WXVL_AK00634SB1035 [0,1,0,1,0,0|2,0,0]=4 471 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1035 [0,1,0,1,0,0|2,0,0]=4 472 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1035 [0,1,0,1,0,0|2,0,0]=4 473 B13R1.153 C=CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1035 [0,1,0,1,0,0|2,0,0]=4 474 B13R1.153 C=CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1035 [0,1,0,1,0,0|2,0,0]=4 475 B13R1.153 C=CCNC(=O)/C=C/C1CCCC1 WXVL_AK00561SB5314 [0,1,0,1,0,0|1,0,1]=4 476 B13R1.153 C=CCNC(=O)/C=C/C1CCCC1 WXVL_AK00561SB5314 [0,1,0,1,0,0|1,0,1]=4 477 B13R1.153 C=CCNC(=O)CCC1CCCC1 WXVL_AK00561SB0045 [0,1,0,1,0,0|1,0,0]=3 478 B13R1.153 C=CCNC(=O)CCC1CCCC1 WXVL_AK00561SB0045 [0,1,0,1,0,0|1,0,0]=3 479 B13R1.153 C=CCNC(=O)CCN1CCCC1 WXVL_AK00561SB0766 [0,1,0,1,0,0|1,0,0]=3 480 B13R1.153 C=CCNC(=O)CCN1CCCC1 WXVL_AK00561SB0766 [0,1,0,1,0,0|1,0,0]=3 481 B13R1.153 C=CCNC(=O)COC1CCCC1 WXVL_AK00561SB0754 [0,1,0,1,0,0|1,0,0]=3 482 B13R1.153 C=CCNC(=O)COC1CCCC1 WXVL_AK00561SB0754 [0,1,0,1,0,0|1,0,0]=3 483 B13R1.680 C=CCCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB1035 [0,1,0,1,0,0|2,0,0]=4 484 B13R1.2499 C=CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB1035 [0,1,0,1,0,0|2,0,0]=4 485 B13R1.2499 C=CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB1035 [0,1,0,1,0,0|2,0,0]=4 486 B13R1.2499 C=CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB1035 [0,1,0,1,0,0|2,0,0]=4 487 B13R1.2499 C=CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB1035 [0,1,0,1,0,0|2,0,0]=4 488 B13R1.2499 C=CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB1035 [0,1,0,1,0,0|2,0,0]=4 489 B13R1.2499 C=CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB1035 [0,1,0,1,0,0|2,0,0]=4 490 B13R1.17 C=CCCC(=O)N1CCC(CC1)Br WXVL_AN00579SB1035 [0,1,0,1,0,0|2,0,0]=4 491 B13R1.17 C=CCCC(=O)N1CCC(CC1)C WXVL_AN0025SB1035 [0,1,0,1,0,0|2,0,0]=4 492 B13R1.17 C=CCCC(=O)N1CCC(CC1)C WXVL_AN0025SB1035 [0,1,0,1,0,0|2,0,0]=4 493 B13R1.17 C=CCCC(=O)N1CCC(CC1)F WXVL_AN0279SB1035 [0,1,0,1,0,0|2,0,0]=4 494 B13R1.17 C=CCCC(=O)N1CCC(CC1)O WXVL_AN0023SB1035 [0,1,0,1,0,0|2,0,0]=4 495 B13R1.17 C=CCCC(=O)N1CCC(CC1)O WXVL_AN0023SB1035 [0,1,0,1,0,0|2,0,0]=4 496 B13R1.17 C=CCNC(=O)C1CCC(=C)CC1 WXVL_AK00561SB2180 [0,1,0,1,0,0|1,0,1]=4 497 B13R1.17 C=CCNC(=O)C1CCC(=C)CC1 WXVL_AK00561SB2180 [0,1,0,1,0,0|1,0,1]=4 498 B13R1.17 C=CCNC(=O)C1CCC(CC1)O WXVL_AK00561SB3089 [0,1,0,1,0,0|1,0,0]=3 499 B13R1.17 C=CCNC(=O)C1CCC(CC1)O WXVL_AK00561SB3089 [0,1,0,1,0,0|1,0,0]=3 500 B13R1.17 C=CCNC(=O)C1CCN(CC1)C WXVL_AK00561SB00008 [0,1,0,1,0,0|2,0,0]=4 501 B13R1.17 C=CCNC(=O)C1CCN(CC1)C WXVL_AK00561SB00008 [0,1,0,1,0,0|2,0,0]=4 502 B13R1.683 C=CCCC(=O)NCCC1CCC1 WXVL_AK2418SB1035 [0,1,0,1,0,0|1,0,0]=3 503 B13R1.683 C=CCCC(=O)NCCC1CCC1 WXVL_AK2418SB1035 [0,1,0,1,0,0|1,0,0]=3 504 B13R1.44 C=CCCC(=O)NC1CCCCC1 WXVL_AK00480SB1035 [0,1,0,1,0,0|1,0,0]=3 505 B13R1.44 C=CCCC(=O)NC1CCCCC1 WXVL_AK00480SB1035 [0,1,0,1,0,0|1,0,0]=3 506 B13R1.44 C=CCCC(=O)NC1CCCOC1 WXVL_AK1073SB1035 [0,1,0,1,0,0|2,0,0]=4 507 B13R1.44 C=CCCC(=O)NC1CCCOC1 WXVL_AK1073SB1035 [0,1,0,1,0,0|2,0,0]=4 508 B13R1.44 C=CCNC(=O)CC1CCCCO1 WXVL_AK00561SB1464 [0,1,0,1,0,0|1,0,0]=3 509 B13R1.44 C=CCNC(=O)CC1CCCCO1 WXVL_AK00561SB1464 [0,1,0,1,0,0|1,0,0]=3 510 B13R1.44 C=CCNC(=O)CC1CCOCC1 WXVL_AK00561SB0194 [0,1,0,1,0,0|1,0,0]=3 511 B13R1.44 C=CCNC(=O)CC1CCOCC1 WXVL_AK00561SB0194 [0,1,0,1,0,0|1,0,0]=3 512 B13R1.44 C=CCNC(=O)CC1COCCO1 WXVL_AK00561SB2988 [0,1,0,1,0,0|2,0,0]=4 513 B13R1.44 C=CCNC(=O)CC1COCCO1 WXVL_AK00561SB2988 [0,1,0,1,0,0|2,0,0]=4 514 B13R1.44 C=CCNC(=O)CN1CCCCC1 WXVL_AK00561SB0186 [0,1,0,1,0,0|1,0,0]=3 515 B13R1.44 C=CCNC(=O)CN1CCCCC1 WXVL_AK00561SB0186 [0,1,0,1,0,0|1,0,0]=3 516 B13R1.44 C=CCNC(=O)CN1CCOCC1 WXVL_AK00561SB0188 [0,1,0,1,0,0|2,0,0]=4 517 B13R1.44 C=CCNC(=O)CN1CCOCC1 WXVL_AK00561SB0188 [0,1,0,1,0,0|2,0,0]=4 518 B13R1.674 C=CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1035 [0,1,0,1,0,0|1,0,0]=3 519 B13R1.674 C=CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1035 [0,1,0,1,0,0|2,0,0]=4 520 B13R1.674 C=CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1035 [0,1,0,1,0,0|2,0,0]=4 521 B13R1.674 C=CCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB1035 [0,1,0,1,0,0|2,0,0]=4 522 B13R1.674 C=CCNC(=O)[C@H]1CCCCN1C WXVL_AK00561SB4055 [0,1,0,1,0,0|1,0,0]=3 523 B13R1.674 C=CCNC(=O)[C@H]1CCCCN1C WXVL_AK00561SB4055 [0,1,0,1,0,0|1,0,0]=3 524 B13R1.2515 C=CCCC(=O)N1[C@@H](CC[C@H]1C)C WXVL_AN00607SB1035 [0,1,0,1,0,0|2,0,0]=4 525 B13R1.3432 C=CCCC(=O)NC(C)C1CCC1 WXVL_AK00681SB1035 [0,1,0,1,0,0|2,0,0]=4 526 B13R1.3432 C=CCCC(=O)NC(C)C1CCC1 WXVL_AK00681SB1035 [0,1,0,1,0,0|2,0,0]=4 527 B13R1.11 C=CC(C)NC(=O)C1CCCCC1 WXVL_AK00769SB0047 [0,1,0,1,0,0|1,0,0]=3 528 B13R1.11 C=CC(C)NC(=O)C1CCCCC1 WXVL_AK00769SB0047 [0,1,0,1,0,0|1,0,0]=3 529 B13R1.11 C=CC(C)NC(=O)C1CCCCO1 WXVL_AK00769SB0206 [0,1,0,1,0,0|2,0,0]=4 530 B13R1.11 C=CC(C)NC(=O)C1CCCCO1 WXVL_AK00769SB0206 [0,1,0,1,0,0|2,0,0]=4 531 B13R1.11 C=CC(C)NC(=O)C1CCOCC1 WXVL_AK00769SB0149 [0,1,0,1,0,0|2,0,0]=4 532 B13R1.11 C=CC(C)NC(=O)C1CCOCC1 WXVL_AK00769SB0149 [0,1,0,1,0,0|2,0,0]=4 533 B13R1.11 C=CC(C)NC(=O)C1CCSCC1 WXVL_AK00769SB0752 [0,1,0,1,0,0|2,0,0]=4 534 B13R1.11 C=CC(C)NC(=O)C1CCSCC1 WXVL_AK00769SB0752 [0,1,0,1,0,0|2,0,0]=4 535 B13R1.11 C=CC(C)NC(=O)[C@H]1CCCCO1 WXVL_AK00769SB00044 [0,1,0,1,0,0|2,0,0]=4 536 B13R1.11 C=CC(C)NC(=O)[C@H]1CCCCO1 WXVL_AK00769SB00044 [0,1,0,1,0,0|2,0,0]=4 537 B13R1.439 C=CC(C)NC(=O)C1CCCC1C WXVL_AK00769SB0904 [0,1,0,1,0,0|1,0,0]=3 538 B13R1.439 C=CC(C)NC(=O)C1CCCC1C WXVL_AK00769SB0904 [0,1,0,1,0,0|1,0,0]=3 539 B13R1.439 C=CC(C)NC(=O)[C@@H]1CCCN1C WXVL_AK00769SB1197 [0,1,0,1,0,0|2,0,0]=4 540 B13R1.439 C=CC(C)NC(=O)[C@@H]1CCCN1C WXVL_AK00769SB1197 [0,1,0,1,0,0|2,0,0]=4 541 B13R1.441 C=CC(C)NC(=O)CCC1CCC1 WXVL_AK00769SB8784 [0,1,0,1,0,0|1,0,0]=3 542 B13R1.441 C=CC(C)NC(=O)CCC1CCC1 WXVL_AK00769SB8784 [0,1,0,1,0,0|1,0,0]=3 543 B13R1.545 C=CC(C)NC(=O)CC1CCCC1 WXVL_AK00769SB0044 [0,1,0,1,0,0|1,0,0]=3 544 B13R1.545 C=CC(C)NC(=O)CC1CCCC1 WXVL_AK00769SB0044 [0,1,0,1,0,0|1,0,0]=3 545 B13R1.545 C=CC(C)NC(=O)CN1CCCC1 WXVL_AK00769SB0201 [0,1,0,1,0,0|2,0,0]=4 546 B13R1.545 C=CC(C)NC(=O)CN1CCCC1 WXVL_AK00769SB0201 [0,1,0,1,0,0|2,0,0]=4 547 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC WXVL_AK0076SB0804 [0,1,0,1,0,0|2,0,0]=4 548 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC WXVL_AK0076SB0804 [0,1,0,1,0,0|2,0,0]=4 549 B13R1.684 C=CCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB1035 [0,1,0,1,0,0|2,0,0]=4 550 B13R1.2488 C=CCCC(=O)N1CCCOCC1 WXVL_AN00350SB1035 [0,1,0,1,0,0|2,0,0]=4 551 B13R1.2488 C=CCCC(=O)N1CCCOCC1 WXVL_AN00350SB1035 [0,1,0,1,0,0|2,0,0]=4 552 B13R1.2488 C=CCNC(=O)C1CCCCCC1 WXVL_AK00561SB0385 [0,1,0,1,0,0|1,0,0]=3 553 B13R1.2488 C=CCNC(=O)C1CCCCCC1 WXVL_AK00561SB0385 [0,1,0,1,0,0|1,0,0]=3 554 B13R1.45 C=C(C)CNC(=O)C1CCCCC1 WXVL_AK0761SB0047 [0,1,0,1,0,0|1,0,0]=3 555 B13R1.45 C=C(C)CNC(=O)C1CCCCC1 WXVL_AK0761SB0047 [0,1,0,1,0,0|1,0,0]=3 556 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 WXVL_AK0761SB0206 [0,1,0,1,0,0|2,0,0]=4 557 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 WXVL_AK0761SB0206 [0,1,0,1,0,0|2,0,0]=4 558 B13R1.45 C=C(C)CNC(=O)C1CCOCC1 WXVL_AK0761SB0149 [0,1,0,1,0,0|2,0,0]=4 559 B13R1.45 C=C(C)CNC(=O)C1CCOCC1 WXVL_AK0761SB0149 [0,1,0,1,0,0|2,0,0]=4 560 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 WXVL_AK0761SB0752 [0,1,0,1,0,0|2,0,0]=4 561 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 WXVL_AK0761SB0752 [0,1,0,1,0,0|2,0,0]=4 562 B13R1.45 C=C(C)CNC(=O)[C@H]1CCCCO1 WXVL_AK0761SB00044 [0,1,0,1,0,0|2,0,0]=4 563 B13R1.45 C=C(C)CNC(=O)[C@H]1CCCCO1 WXVL_AK0761SB00044 [0,1,0,1,0,0|2,0,0]=4 564 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 WXVL_AK0147SB0047 [0,1,0,1,0,0|2,0,0]=4 565 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 WXVL_AK0147SB0047 [0,1,0,1,0,0|2,0,0]=4 566 B13R1.168 C=C(C)CNC(=O)C1CCCC1C WXVL_AK0761SB0904 [0,1,0,1,0,0|1,0,0]=3 567 B13R1.168 C=C(C)CNC(=O)C1CCCC1C WXVL_AK0761SB0904 [0,1,0,1,0,0|1,0,0]=3 568 B13R1.168 C=C(C)CNC(=O)[C@@H]1CCCN1C WXVL_AK0761SB1197 [0,1,0,1,0,0|2,0,0]=4 569 B13R1.168 C=C(C)CNC(=O)[C@@H]1CCCN1C WXVL_AK0761SB1197 [0,1,0,1,0,0|2,0,0]=4 570 B13R1.168 CC1CCCC1C(=O)NCC(=O)N WXVL_AK0147SB0904 [0,1,0,1,0,0|2,0,0]=4 571 B13R1.168 CC1CCCC1C(=O)NCC(=O)N WXVL_AK0147SB0904 [0,1,0,1,0,0|2,0,0]=4 572 B13R1.344 C=C(C)CNC(=O)CC1CCCC1 WXVL_AK0761SB0044 [0,1,0,1,0,0|1,0,0]=3 573 B13R1.344 C=C(C)CNC(=O)CC1CCCC1 WXVL_AK0761SB0044 [0,1,0,1,0,0|1,0,0]=3 574 B13R1.344 C=C(C)CNC(=O)CN1CCCC1 WXVL_AK0761SB0201 [0,1,0,1,0,0|2,0,0]=4 575 B13R1.344 C=C(C)CNC(=O)CN1CCCC1 WXVL_AK0761SB0201 [0,1,0,1,0,0|2,0,0]=4 576 B13R1.344 NC(=O)CNC(=O)CC1CCCC1 WXVL_AK0147SB0044 [0,1,0,1,0,0|2,0,0]=4 577 B13R1.344 NC(=O)CNC(=O)CC1CCCC1 WXVL_AK0147SB0044 [0,1,0,1,0,0|2,0,0]=4 578 B13R1.1054 C=C(C)CNC(=O)CCC1CCC1 WXVL_AK0761SB8784 [0,1,0,1,0,0|1,0,0]=3 579 B13R1.1054 C=C(C)CNC(=O)CCC1CCC1 WXVL_AK0761SB8784 [0,1,0,1,0,0|1,0,0]=3 580 B13R1.1054 NC(=O)CNC(=O)CCC1CCC1 WXVL_AK0147SB8784 [0,1,0,1,0,0|2,0,0]=4 581 B13R1.1054 NC(=O)CNC(=O)CCC1CCC1 WXVL_AK0147SB8784 [0,1,0,1,0,0|2,0,0]=4 582 B13R1.122 C=CCNS(=O)(=O)C1CCCCC1 WXVL_AK00561HU0143 [0,1,0,1,0,0|2,0,0]=4 583 B13R1.122 C=CCNS(=O)(=O)C1CCCCC1 WXVL_AK00561HU0143 [0,1,0,1,0,0|2,0,0]=4 584 B13R1.2522 C=CCNC(=O)C1(CCCCC1)C WXVL_AK00561SB2476 [0,1,0,1,0,0|1,0,0]=3 585 B13R1.2522 C=CCNC(=O)C1(CCCCC1)C WXVL_AK00561SB2476 [0,1,0,1,0,0|1,0,0]=3 586 B13R1.2522 C=CCNC(=O)C1(CCOCC1)C WXVL_AK00561SB2291 [0,1,0,1,0,0|2,0,0]=4 587 B13R1.2522 C=CCNC(=O)C1(CCOCC1)C WXVL_AK00561SB2291 [0,1,0,1,0,0|2,0,0]=4 588 B13R1.2522 C=CCNC(=O)C1(CCOCC1)F WXVL_AK00561SB0023 [0,1,0,1,0,0|2,0,0]=4 589 B13R1.2522 C=CCNC(=O)C1(CCOCC1)F WXVL_AK00561SB0023 [0,1,0,1,0,0|2,0,0]=4 590 B13R1.2522 C=CCNC(=O)C1(CCOCC1)O WXVL_AK00561SBE859 [0,1,0,1,0,0|2,0,0]=4 591 B13R1.2522 C=CCNC(=O)C1(CCOCC1)O WXVL_AK00561SBE859 [0,1,0,1,0,0|2,0,0]=4 592 B13R2.2205 C=CCNC(=O)C1C2C1COC2 WXVL_AK00561SB0030 [0,0,0,2,0,0|2,0,0]=4 593 B13R2.2205 C=CCNC(=O)C1C2C1COC2 WXVL_AK00561SB0030 [0,0,0,2,0,0|2,0,0]=4 594 B13R2.2214 C=CCCC(=O)N1CC2CC2C1 WXVL_AN00158SB1035 [0,0,0,2,0,0|2,0,0]=4 595 B13R2.2214 C=CCCC(=O)N1CC2CC2C1 WXVL_AN00158SB1035 [0,0,0,2,0,0|2,0,0]=4 596 B13R2.10584 C=CCNC(=O)C1CC1C2CC2 WXVL_AK00561SB3548 [0,0,0,2,0,0|1,0,0]=3 597 B13R2.10584 C=CCNC(=O)C1CC1C2CC2 WXVL_AK00561SB3548 [0,0,0,2,0,0|1,0,0]=3