0 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,1,0,0,0,0|1,0,2]=4 21 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,1,0,0,0,0|1,0,2]=4 24 B10R0.6 C/C=C/C=C/C(=O)NC(C)C WXVL_AK0030SB0348 [0,1,0,0,0,0|1,0,0]=2 25 B10R0.6 C/C=C/C=C/C(=O)NC(C)C WXVL_AK0030SB0348 [0,1,0,0,0,0|1,0,0]=2 26 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [0,1,0,0,0,0|1,0,2]=4 27 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,1,0,0,0,0|1,0,2]=4 31 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,1,0,0,0,0|1,0,2]=4 32 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,2]=4 34 B10R0.91 C/C=C/C=C/C(=O)NCC#N WXVL_AK0683SB0348 [0,1,0,0,0,0|1,0,1]=3 35 B10R0.91 C/C=C/C=C/C(=O)NCC#N WXVL_AK0683SB0348 [0,1,0,0,0,0|1,0,1]=3 36 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,1,0,0,0,0|1,0,0]=2 37 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,1,0,0,0,0|1,0,0]=2 38 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,1,0,0,0,0|1,0,0]=2 39 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,1,0,0,0,0|1,0,0]=2 40 B10R0.91 C=CCNC(=O)/C=C/C=C/C WXVL_AK00561SB0348 [0,1,0,0,0,0|1,0,1]=3 41 B10R0.91 C=CCNC(=O)/C=C/C=C/C WXVL_AK00561SB0348 [0,1,0,0,0,0|1,0,1]=3 42 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,1,0,0,0,0|1,0,2]=4 44 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,1,0,0,0,0|1,0,2]=4 45 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,1,0,0,0,0|1,0,2]=4 46 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,1,0,0,0,0|2,0,1]=4 47 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,1,0,0,0,0|2,0,1]=4 48 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [0,1,0,0,0,0|2,0,1]=4 49 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [0,1,0,0,0,0|2,0,1]=4 50 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [0,1,0,0,0,0|1,0,0]=2 51 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [0,1,0,0,0,0|1,0,0]=2 52 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [0,1,0,0,0,0|2,0,1]=4 53 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.10 CCNc1ccnc(n1)C WXVL_AK00476LP0556 [0,0,0,1,0,0|3,0,0]=4 55 B10R1.10 CCNc1ccnc(n1)C WXVL_AK00476LP0556 [0,0,0,1,0,0|3,0,0]=4 56 B10R1.10 CCNc1nccc(n1)C WXVL_AK00476LP0007 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.10 CCNc1nccc(n1)C WXVL_AK00476LP0007 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [0,0,0,1,0,0|3,0,0]=4 59 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [0,0,0,1,0,0|3,0,0]=4 60 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [0,0,0,1,0,0|2,0,1]=4 61 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [0,0,0,1,0,0|2,0,1]=4 62 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [0,0,0,1,0,0|3,0,0]=4 63 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,0,0,1,0,0|2,0,0]=3 65 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,0,0,1,0,0|2,0,0]=3 67 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,0,0,1,0,0|2,0,0]=3 68 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,0,0,1,0,0|3,0,0]=4 69 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,0,0,1,0,0|3,0,0]=4 70 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [0,0,0,1,0,0|3,0,0]=4 71 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [0,0,0,1,0,0|3,0,0]=4 72 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [0,0,0,1,0,0|2,0,1]=4 73 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [0,0,0,1,0,0|3,0,0]=4 75 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [0,0,0,1,0,0|3,0,0]=4 76 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,0,0,1,0,0|2,0,1]=4 77 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,0,0,1,0,0|2,0,1]=4 78 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [0,0,0,1,0,0|3,0,0]=4 81 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [0,0,0,1,0,0|3,0,0]=4 82 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,0,0,1,0,0|3,0,0]=4 83 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,0,0,1,0,0|3,0,0]=4 84 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [0,0,0,1,0,0|3,0,0]=4 85 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,0,0,1,0,0|3,0,0]=4 90 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,0,0,1,0,0|3,0,0]=4 92 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,0,0,1,0,0|1,0,2]=4 93 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,0,0,1,0,0|1,0,2]=4 94 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [2,0,0,0,0,0|1,0,0]=3 98 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [2,0,0,0,0,0|1,0,1]=4 99 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [2,0,0,0,0,0|1,0,0]=3 101 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [2,0,0,0,0,0|1,0,0]=3 102 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [1,1,0,0,0,0|1,0,1]=4 103 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [1,1,0,0,0,0|1,0,1]=4 104 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [1,1,0,0,0,0|1,0,1]=4 107 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [1,1,0,0,0,0|1,0,1]=4 108 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [1,1,0,0,0,0|1,0,1]=4 109 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [1,1,0,0,0,0|1,0,1]=4 110 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [1,1,0,0,0,0|1,0,1]=4 111 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [1,1,0,0,0,0|1,0,1]=4 112 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [1,1,0,0,0,0|1,0,0]=3 113 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [1,1,0,0,0,0|1,0,0]=3 114 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [1,1,0,0,0,0|1,0,0]=3 115 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [1,1,0,0,0,0|1,0,0]=3 116 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,2,0,0,0,0|0,0,1]=3 117 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,2,0,0,0,0|0,0,1]=3 118 B11R0.155 C/C=C/C=C/C(=O)N(C)CC#N WXVL_AN2942SB0348 [0,2,0,0,0,0|1,0,1]=4 119 B11R0.155 C/C=C/C=C/C(=O)N(C)CC#N WXVL_AN2942SB0348 [0,2,0,0,0,0|1,0,1]=4 120 B11R0.155 C/C=C/C=C/C(=O)N(C)CCO WXVL_AN2670SB0348 [0,2,0,0,0,0|1,0,0]=3 121 B11R0.155 C/C=C/C=C/C(=O)N(C)CCO WXVL_AN2670SB0348 [0,2,0,0,0,0|1,0,0]=3 122 B11R0.59 C=C(C)CNC(=O)C(=O)OCC WXVL_AK0761SB4144 [0,2,0,0,0,0|1,0,1]=4 123 B11R0.59 C=C(C)CNC(=O)C(=O)OCC WXVL_AK0761SB4144 [0,2,0,0,0,0|1,0,1]=4 124 B11R0.141 CCOC(=O)/C=C/C(=O)N(C)C WXVL_AN0032SB0061 [0,2,0,0,0,0|1,0,0]=3 125 B11R0.141 CCOC(=O)/C=C/C(=O)N(C)C WXVL_AN0032SB0061 [0,2,0,0,0,0|1,0,0]=3 126 B11R0.139 C/C=C/C=C/C(=O)N(C)C(C)C WXVL_AN0073SB0348 [0,2,0,0,0,0|1,0,0]=3 127 B11R0.139 C/C=C/C=C/C(=O)N(C)C(C)C WXVL_AN0073SB0348 [0,2,0,0,0,0|1,0,0]=3 128 B11R0.154 C#C[C@@H](C)NC(=O)/C=C/C=C/C WXVL_AK00735SB0348 [0,2,0,0,0,0|1,0,0]=3 129 B11R0.154 C#C[C@@H](C)NC(=O)/C=C/C=C/C WXVL_AK00735SB0348 [0,2,0,0,0,0|1,0,0]=3 130 B11R0.154 C/C=C/C=C/C(=O)NC(C)C#N WXVL_AK00810SB0348 [0,2,0,0,0,0|1,0,0]=3 131 B11R0.154 C/C=C/C=C/C(=O)NC(C)C#N WXVL_AK00810SB0348 [0,2,0,0,0,0|1,0,0]=3 132 B11R0.154 C/C=C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0348 [0,2,0,0,0,0|1,0,0]=3 133 B11R0.154 C/C=C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0348 [0,2,0,0,0,0|1,0,0]=3 134 B11R0.154 C/C=C/C=C/C(=O)N[C@@H](C)CF WXVL_AK00558SB0348 [0,2,0,0,0,0|1,0,0]=3 135 B11R0.154 C/C=C/C=C/C(=O)N[C@@H](C)CF WXVL_AK00558SB0348 [0,2,0,0,0,0|1,0,0]=3 136 B11R0.154 C/C=C/C=C/C(=O)N[C@@H](C)CO WXVL_AK0109SB0348 [0,2,0,0,0,0|1,0,0]=3 137 B11R0.154 C/C=C/C=C/C(=O)N[C@@H](C)CO WXVL_AK0109SB0348 [0,2,0,0,0,0|1,0,0]=3 138 B11R0.154 C=CC(C)NC(=O)/C=C/C=C/C WXVL_AK00769SB0348 [0,2,0,0,0,0|1,0,0]=3 139 B11R0.154 C=CC(C)NC(=O)/C=C/C=C/C WXVL_AK00769SB0348 [0,2,0,0,0,0|1,0,0]=3 140 B11R0.165 C/C=C/C=C/C(=O)NC(C)(C)C WXVL_AK0024SB0348 [0,2,0,0,0,0|1,0,0]=3 141 B11R0.165 C/C=C/C=C/C(=O)NC(C)(C)C WXVL_AK0024SB0348 [0,2,0,0,0,0|1,0,0]=3 142 B11R0.157 C/C=C/C=C/C(=O)N(CC)CC WXVL_AN0042SB0348 [0,2,0,0,0,0|1,0,0]=3 143 B11R0.157 C/C=C/C=C/C(=O)N(CC)CC WXVL_AN0042SB0348 [0,2,0,0,0,0|1,0,0]=3 144 B11R0.46 C/C=C/C=C/C(=O)NCC(=O)N WXVL_AK0147SB0348 [0,2,0,0,0,0|1,0,1]=4 145 B11R0.46 C/C=C/C=C/C(=O)NCC(=O)N WXVL_AK0147SB0348 [0,2,0,0,0,0|1,0,1]=4 146 B11R0.46 C/C=C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0348 [0,2,0,0,0,0|1,0,0]=3 147 B11R0.46 C/C=C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0348 [0,2,0,0,0,0|1,0,0]=3 148 B11R0.46 C/C=C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0348 [0,2,0,0,0,0|1,0,0]=3 149 B11R0.46 C/C=C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0348 [0,2,0,0,0,0|1,0,0]=3 150 B11R0.46 C/C=C/C=C/C(=O)NCC(F)F WXVL_AK0136SB0348 [0,2,0,0,0,0|1,0,0]=3 151 B11R0.46 C/C=C/C=C/C(=O)NCC(F)F WXVL_AK0136SB0348 [0,2,0,0,0,0|1,0,0]=3 152 B11R0.46 C/C=C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0348 [0,2,0,0,0,0|1,0,0]=3 153 B11R0.46 C/C=C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0348 [0,2,0,0,0,0|1,0,0]=3 154 B11R0.46 C=C(C)CNC(=O)/C=C/C=C/C WXVL_AK0761SB0348 [0,2,0,0,0,0|1,0,0]=3 155 B11R0.46 C=C(C)CNC(=O)/C=C/C=C/C WXVL_AK0761SB0348 [0,2,0,0,0,0|1,0,0]=3 156 B11R0.140 C#CCCNC(=O)/C=C/C=C/C WXVL_AK3109SB0348 [0,2,0,0,0,0|1,0,0]=3 157 B11R0.140 C#CCCNC(=O)/C=C/C=C/C WXVL_AK3109SB0348 [0,2,0,0,0,0|1,0,0]=3 158 B11R0.140 C/C=C/C=C/C(=O)NCCC#N WXVL_AK0087SB0348 [0,2,0,0,0,0|1,0,0]=3 159 B11R0.140 C/C=C/C=C/C(=O)NCCC#N WXVL_AK0087SB0348 [0,2,0,0,0,0|1,0,0]=3 160 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [0,2,0,0,0,0|1,0,0]=3 161 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [0,2,0,0,0,0|1,0,0]=3 162 B11R0.140 C/C=C/C=C/C(=O)NCCCO WXVL_AK0073SB0348 [0,2,0,0,0,0|1,0,0]=3 163 B11R0.140 C/C=C/C=C/C(=O)NCCCO WXVL_AK0073SB0348 [0,2,0,0,0,0|1,0,0]=3 164 B11R0.140 C/C=C/C=C/C(=O)NCCSC WXVL_AK00440SB0348 [0,2,0,0,0,0|1,0,0]=3 165 B11R0.140 C/C=C/C=C/C(=O)NCCSC WXVL_AK00440SB0348 [0,2,0,0,0,0|1,0,0]=3 166 B11R0.140 C=CCCNC(=O)/C=C/C=C/C WXVL_AK00138SB0348 [0,2,0,0,0,0|1,0,0]=3 167 B11R0.140 C=CCCNC(=O)/C=C/C=C/C WXVL_AK00138SB0348 [0,2,0,0,0,0|1,0,0]=3 168 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [1,0,0,1,0,0|2,0,0]=4 169 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [1,0,0,1,0,0|2,0,0]=4 170 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [1,0,0,1,0,0|2,0,0]=4 171 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [1,0,0,1,0,0|2,0,0]=4 172 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,1,0,0|1,0,1]=4 173 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,1,0,0|1,0,1]=4 174 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,1,0,1,0,0|1,0,1]=4 175 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,1,0,1,0,0|1,0,1]=4 176 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,1,0,1,0,0|1,0,1]=4 177 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,1,0,1,0,0|1,0,1]=4 178 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,1,0,1,0,0|2,0,0]=4 179 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,1,0,1,0,0|2,0,0]=4 180 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,1,0,1,0,0|1,0,1]=4 181 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,1,0,1,0,0|1,0,1]=4 182 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,1,0,1,0,0|2,0,0]=4 183 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,1,0,1,0,0|2,0,0]=4 184 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,1,0,1,0,0|2,0,0]=4 185 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,1,0,1,0,0|2,0,0]=4 186 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,1,0,1,0,0|2,0,0]=4 187 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,1,0,1,0,0|2,0,0]=4 188 B11R1.189 CCOc1ccnc(n1)NC WXVL_AK00442LP0863 [0,1,0,1,0,0|2,0,0]=4 189 B11R1.189 CCOc1ccnc(n1)NC WXVL_AK00442LP0863 [0,1,0,1,0,0|2,0,0]=4 190 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [0,1,0,1,0,0|1,0,0]=3 191 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [0,1,0,1,0,0|1,0,0]=3 192 B11R1.199 CCNC(=O)c1[nH]cnc1C WXVL_AK00476SC0269 [0,1,0,1,0,0|2,0,0]=4 193 B11R1.199 CCNC(=O)c1[nH]cnc1C WXVL_AK00476SC0269 [0,1,0,1,0,0|2,0,0]=4 194 B11R1.199 CCNC(=O)c1c[nH]cc1C WXVL_AK00476SC0251 [0,1,0,1,0,0|1,0,0]=3 195 B11R1.199 CCNC(=O)c1c[nH]cc1C WXVL_AK00476SC0251 [0,1,0,1,0,0|1,0,0]=3 196 B11R1.199 CCNC(=O)c1c[nH]nc1C WXVL_AK00476SC2225 [0,1,0,1,0,0|2,0,0]=4 197 B11R1.199 CCNC(=O)c1c[nH]nc1C WXVL_AK00476SC2225 [0,1,0,1,0,0|2,0,0]=4 198 B11R1.199 CCNC(=O)c1ccnn1C WXVL_AK00476SC0090 [0,1,0,1,0,0|2,0,0]=4 199 B11R1.199 CCNC(=O)c1ccnn1C WXVL_AK00476SC0090 [0,1,0,1,0,0|2,0,0]=4 200 B11R1.199 CCNC(=O)c1ccsc1C WXVL_AK00476SC1037 [0,1,0,1,0,0|1,0,0]=3 201 B11R1.199 CCNC(=O)c1ccsc1C WXVL_AK00476SC1037 [0,1,0,1,0,0|1,0,0]=3 202 B11R1.199 CCNC(=O)c1ccsc1Cl WXVL_AK00476SC0794 [0,1,0,1,0,0|2,0,0]=4 203 B11R1.199 CCNC(=O)c1ccsc1Cl WXVL_AK00476SC0794 [0,1,0,1,0,0|2,0,0]=4 204 B11R1.199 CCNC(=O)c1cncn1C WXVL_AK00476SC0099 [0,1,0,1,0,0|2,0,0]=4 205 B11R1.199 CCNC(=O)c1cncn1C WXVL_AK00476SC0099 [0,1,0,1,0,0|2,0,0]=4 206 B11R1.199 CCNC(=O)c1conc1C WXVL_AK00476SC0100 [0,1,0,1,0,0|2,0,0]=4 207 B11R1.199 CCNC(=O)c1conc1C WXVL_AK00476SC0100 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.199 CCNC(=O)c1cscc1Br WXVL_AK00476SC1024 [0,1,0,1,0,0|2,0,0]=4 209 B11R1.199 CCNC(=O)c1cscc1Br WXVL_AK00476SC1024 [0,1,0,1,0,0|2,0,0]=4 210 B11R1.199 CCNC(=O)c1cscc1C WXVL_AK00476SC0257 [0,1,0,1,0,0|1,0,0]=3 211 B11R1.199 CCNC(=O)c1cscc1C WXVL_AK00476SC0257 [0,1,0,1,0,0|1,0,0]=3 212 B11R1.199 CCNC(=O)c1csnc1C WXVL_AK00476SC2175 [0,1,0,1,0,0|2,0,0]=4 213 B11R1.199 CCNC(=O)c1csnc1C WXVL_AK00476SC2175 [0,1,0,1,0,0|2,0,0]=4 214 B11R1.199 CCNC(=O)c1nccn1C WXVL_AK00476SC0106 [0,1,0,1,0,0|2,0,0]=4 215 B11R1.199 CCNC(=O)c1nccn1C WXVL_AK00476SC0106 [0,1,0,1,0,0|2,0,0]=4 216 B11R1.199 CCNC(=O)c1ncoc1C WXVL_AK00476SC0732 [0,1,0,1,0,0|2,0,0]=4 217 B11R1.199 CCNC(=O)c1ncoc1C WXVL_AK00476SC0732 [0,1,0,1,0,0|2,0,0]=4 218 B11R1.199 CCNC(=O)c1ncsc1C WXVL_AK00476SC0722 [0,1,0,1,0,0|2,0,0]=4 219 B11R1.199 CCNC(=O)c1ncsc1C WXVL_AK00476SC0722 [0,1,0,1,0,0|2,0,0]=4 220 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,1,0,1,0,0|2,0,0]=4 221 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,1,0,1,0,0|2,0,0]=4 222 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,1,0,1,0,0|1,0,0]=3 223 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,1,0,1,0,0|1,0,0]=3 224 B11R1.199 CCNC(=O)c1ocnc1C WXVL_AK00476SC0103 [0,1,0,1,0,0|2,0,0]=4 225 B11R1.199 CCNC(=O)c1ocnc1C WXVL_AK00476SC0103 [0,1,0,1,0,0|2,0,0]=4 226 B11R1.199 CCNC(=O)c1oncc1C WXVL_AK00476SC0912 [0,1,0,1,0,0|2,0,0]=4 227 B11R1.199 CCNC(=O)c1oncc1C WXVL_AK00476SC0912 [0,1,0,1,0,0|2,0,0]=4 228 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [0,1,0,1,0,0|2,0,0]=4 229 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [0,1,0,1,0,0|2,0,0]=4 230 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [0,1,0,1,0,0|1,0,0]=3 231 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [0,1,0,1,0,0|1,0,0]=3 232 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [0,1,0,1,0,0|2,0,0]=4 233 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [0,1,0,1,0,0|2,0,0]=4 234 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [0,1,0,1,0,0|2,0,0]=4 235 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [0,1,0,1,0,0|2,0,0]=4 236 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [0,1,0,1,0,0|2,0,0]=4 237 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [0,1,0,1,0,0|2,0,0]=4 238 B11R1.199 CCNC(=O)c1scnc1C WXVL_AK00476SC0093 [0,1,0,1,0,0|2,0,0]=4 239 B11R1.199 CCNC(=O)c1scnc1C WXVL_AK00476SC0093 [0,1,0,1,0,0|2,0,0]=4 240 B11R1.15 CCNC(=O)c1c[nH]c(c1)C WXVL_AK00476SC0298 [0,1,0,1,0,0|2,0,0]=4 241 B11R1.15 CCNC(=O)c1c[nH]c(c1)C WXVL_AK00476SC0298 [0,1,0,1,0,0|2,0,0]=4 242 B11R1.15 CCNC(=O)c1c[nH]c(n1)C WXVL_AK00476SC0009 [0,1,0,1,0,0|2,0,0]=4 243 B11R1.15 CCNC(=O)c1c[nH]c(n1)C WXVL_AK00476SC0009 [0,1,0,1,0,0|2,0,0]=4 244 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [0,1,0,1,0,0|2,0,0]=4 245 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [0,1,0,1,0,0|2,0,0]=4 246 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [0,1,0,1,0,0|2,0,0]=4 247 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [0,1,0,1,0,0|2,0,0]=4 248 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [0,1,0,1,0,0|2,0,0]=4 249 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [0,1,0,1,0,0|2,0,0]=4 250 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [0,1,0,1,0,0|2,0,0]=4 251 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [0,1,0,1,0,0|2,0,0]=4 252 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [0,1,0,1,0,0|2,0,0]=4 253 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [0,1,0,1,0,0|2,0,0]=4 254 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,1,0,1,0,0|1,0,0]=3 255 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,1,0,1,0,0|1,0,0]=3 256 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,1,0,1,0,0|2,0,0]=4 257 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,1,0,1,0,0|2,0,0]=4 258 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [0,1,0,1,0,0|2,0,0]=4 259 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [0,1,0,1,0,0|2,0,0]=4 260 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [0,1,0,1,0,0|1,0,0]=3 261 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [0,1,0,1,0,0|1,0,0]=3 262 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [0,1,0,1,0,0|2,0,0]=4 263 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [0,1,0,1,0,0|2,0,0]=4 264 B11R1.15 CCNC(=O)c1ccn(c1)C WXVL_AK00476SC0038 [0,1,0,1,0,0|2,0,0]=4 265 B11R1.15 CCNC(=O)c1ccn(c1)C WXVL_AK00476SC0038 [0,1,0,1,0,0|2,0,0]=4 266 B11R1.15 CCNC(=O)c1ccn(n1)C WXVL_AK00476SC0091 [0,1,0,1,0,0|2,0,0]=4 267 B11R1.15 CCNC(=O)c1ccn(n1)C WXVL_AK00476SC0091 [0,1,0,1,0,0|2,0,0]=4 268 B11R1.15 CCNC(=O)c1cnc(s1)C WXVL_AK00476SC0326 [0,1,0,1,0,0|2,0,0]=4 269 B11R1.15 CCNC(=O)c1cnc(s1)C WXVL_AK00476SC0326 [0,1,0,1,0,0|2,0,0]=4 270 B11R1.15 CCNC(=O)c1coc(n1)C WXVL_AK00476SC0086 [0,1,0,1,0,0|2,0,0]=4 271 B11R1.15 CCNC(=O)c1coc(n1)C WXVL_AK00476SC0086 [0,1,0,1,0,0|2,0,0]=4 272 B11R1.15 CCNC(=O)c1csc(n1)C WXVL_AK00476SC0112 [0,1,0,1,0,0|2,0,0]=4 273 B11R1.15 CCNC(=O)c1csc(n1)C WXVL_AK00476SC0112 [0,1,0,1,0,0|2,0,0]=4 274 B11R1.15 CCNC(=O)c1nc(cs1)C WXVL_AK00476SC0538 [0,1,0,1,0,0|2,0,0]=4 275 B11R1.15 CCNC(=O)c1nc(cs1)C WXVL_AK00476SC0538 [0,1,0,1,0,0|2,0,0]=4 276 B11R1.15 CCNC(=O)c1ncc(s1)C WXVL_AK00476SC0031 [0,1,0,1,0,0|2,0,0]=4 277 B11R1.15 CCNC(=O)c1ncc(s1)C WXVL_AK00476SC0031 [0,1,0,1,0,0|2,0,0]=4 278 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,1,0,1,0,0|2,0,0]=4 279 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,1,0,1,0,0|2,0,0]=4 280 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,1,0,1,0,0|2,0,0]=4 281 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.301 C/C=C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0348 [0,1,0,1,0,0|1,0,0]=3 283 B11R1.301 C/C=C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0348 [0,1,0,1,0,0|1,0,0]=3 284 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,1,0,1,0,0|2,0,0]=4 285 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,1,0,1,0,0|2,0,0]=4 286 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,1,0,1,0,0|2,0,0]=4 287 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,1,0,1,0,0|2,0,0]=4 288 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,1,0,1,0,0|2,0,0]=4 289 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,1,0,1,0,0|2,0,0]=4 290 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,1,0,1,0,0|2,0,0]=4 291 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,1,0,1,0,0|2,0,0]=4