0 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,0,0,0|2,1,1]=4 5 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,0,0,0|2,1,1]=4 6 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,0,0,0|2,1,1]=4 9 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,0,0,0|2,1,1]=4 10 B8R1.7 NC(=O)c1c[nH]cn1 WXVL_AK0084SC0074 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.7 NC(=O)c1c[nH]cn1 WXVL_AK0084SC0074 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 NC(=O)c1cc[nH]n1 WXVL_AK0084SC0003 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.7 NC(=O)c1cc[nH]n1 WXVL_AK0084SC0003 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.7 NC(=O)c1ccns1 WXVL_AK0084SC0027 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 NC(=O)c1ccns1 WXVL_AK0084SC0027 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 NC(=O)c1ccon1 WXVL_AK0084SC0116 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 NC(=O)c1ccon1 WXVL_AK0084SC0116 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 NC(=O)c1ccsn1 WXVL_AK0084SC0764 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 NC(=O)c1ccsn1 WXVL_AK0084SC0764 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 NC(=O)c1cncs1 WXVL_AK0084SC0113 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.7 NC(=O)c1cncs1 WXVL_AK0084SC0113 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.7 NC(=O)c1cnon1 WXVL_AK0084SC0777 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.7 NC(=O)c1cnon1 WXVL_AK0084SC0777 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.7 NC(=O)c1cnsn1 WXVL_AK0084SC1291 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.7 NC(=O)c1cnsn1 WXVL_AK0084SC1291 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.7 NC(=O)c1cocn1 WXVL_AK0084SC0118 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.7 NC(=O)c1cocn1 WXVL_AK0084SC0118 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.7 NC(=O)c1cscn1 WXVL_AK0084SC0092 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.7 NC(=O)c1cscn1 WXVL_AK0084SC0092 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.7 NC(=O)c1csnn1 WXVL_AK0084SC0002 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.7 NC(=O)c1csnn1 WXVL_AK0084SC0002 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.7 NC(=O)c1nc[nH]n1 WXVL_AK0084SC0376 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.7 NC(=O)c1nc[nH]n1 WXVL_AK0084SC0376 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.7 NC(=O)c1nccs1 WXVL_AK0084SC0110 [0,0,0,0,0,0|1,0,2]=3 37 B8R1.7 NC(=O)c1nccs1 WXVL_AK0084SC0110 [0,0,0,0,0,0|1,0,2]=3 38 B8R1.7 NC(=O)c1nnc[nH]1 WXVL_AK0084SC00053 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.7 NC(=O)c1nnc[nH]1 WXVL_AK0084SC00053 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,0,0,0|1,1,1]=4 45 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,0,0,0|1,1,1]=4 46 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,0,0,0|1,0,1]=3 47 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,0,0,0|1,0,1]=3 48 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,0,0,0|1,1,1]=4 49 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,0,0,0|1,1,1]=4 50 B9R1.11 CNC(=O)c1c[nH]cn1 WXVL_AK00442SC0074 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.11 CNC(=O)c1c[nH]cn1 WXVL_AK00442SC0074 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.11 CNC(=O)c1cc[nH]n1 WXVL_AK00442SC0003 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.11 CNC(=O)c1cc[nH]n1 WXVL_AK00442SC0003 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,1,0,0,0,0|1,0,2]=4 55 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,1,0,0,0,0|1,0,2]=4 56 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.11 CNC(=O)c1ccon1 WXVL_AK00442SC0116 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.11 CNC(=O)c1ccon1 WXVL_AK00442SC0116 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.11 CNC(=O)c1ccsn1 WXVL_AK00442SC0764 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.11 CNC(=O)c1ccsn1 WXVL_AK00442SC0764 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.11 CNC(=O)c1cncs1 WXVL_AK00442SC0113 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.11 CNC(=O)c1cncs1 WXVL_AK00442SC0113 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.11 CNC(=O)c1cnon1 WXVL_AK00442SC0777 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.11 CNC(=O)c1cnon1 WXVL_AK00442SC0777 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.11 CNC(=O)c1cnsn1 WXVL_AK00442SC1291 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.11 CNC(=O)c1cnsn1 WXVL_AK00442SC1291 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.11 CNC(=O)c1cocn1 WXVL_AK00442SC0118 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.11 CNC(=O)c1cocn1 WXVL_AK00442SC0118 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.11 CNC(=O)c1csnn1 WXVL_AK00442SC0002 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.11 CNC(=O)c1csnn1 WXVL_AK00442SC0002 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.11 CNC(=O)c1nc[nH]n1 WXVL_AK00442SC0376 [0,1,0,0,0,0|2,0,1]=4 75 B9R1.11 CNC(=O)c1nc[nH]n1 WXVL_AK00442SC0376 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [0,1,0,0,0,0|0,0,2]=3 77 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [0,1,0,0,0,0|0,0,2]=3 78 B9R1.11 CNC(=O)c1nnc[nH]1 WXVL_AK00442SC00053 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.11 CNC(=O)c1nnc[nH]1 WXVL_AK00442SC00053 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.35 CC(=O)N1CCC(C1)Br WXVL_AN00715SB0150 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.35 CC(=O)N1CCC(C1)C WXVL_AN0556SB0150 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.35 CC(=O)N1CCC(C1)C WXVL_AN0556SB0150 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.35 CC(=O)N1CCC(C1)F WXVL_AN00338SB0150 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.35 CC(=O)N1CCC(C1)F WXVL_AN00338SB0150 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.35 CC(=O)N1CCC(C1)O WXVL_AN0158SB0150 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.35 CC(=O)N1CCC(C1)O WXVL_AN0158SB0150 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.35 CC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0150 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.35 CC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0150 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.35 CC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0150 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.35 CC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0150 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.35 CC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0150 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.35 CC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0150 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.35 CC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0150 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.35 CC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0150 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.35 CC(=O)N1CC[C@H](C1)O WXVL_AN00543SB0150 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.35 Cc1cnc(s1)C(=O)N WXVL_AK0084SC0031 [0,1,0,0,0,0|1,0,2]=4 99 B9R1.35 Cc1cnc(s1)C(=O)N WXVL_AK0084SC0031 [0,1,0,0,0,0|1,0,2]=4 100 B9R1.35 Cc1csc(n1)C(=O)N WXVL_AK0084SC0538 [0,1,0,0,0,0|1,0,2]=4 101 B9R1.35 Cc1csc(n1)C(=O)N WXVL_AK0084SC0538 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.35 NC(=O)c1nc(cs1)Br WXVL_AK0084SC0687 [0,1,0,0,0,0|1,0,2]=4 103 B9R1.35 NC(=O)c1nc(cs1)Br WXVL_AK0084SC0687 [0,1,0,0,0,0|1,0,2]=4 104 B9R1.41 CC(=O)N1CCC[C@H]1C WXVL_AN00593SB0150 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,1,0,0,0|2,1,0]=4 106 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,1,0,0,0|2,1,0]=4 107 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,1,0,0,0|3,0,0]=4 109 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,0,1,0,0,0|3,0,0]=4 110 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,0,1,0,0,0|0,1,1]=3 112 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,0,1,0,0,0|0,1,1]=3 113 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,0,1,0,0,0|1,1,1]=4 114 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,0,1,0,0,0|1,1,1]=4 115 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,0,1,0,0,0|2,1,0]=4 116 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,0,1,0,0,0|2,1,0]=4 117 B7R0.15 CCN(CC)C(=O)C WXVL_AN0042SB0150 [0,0,1,0,0,0|3,0,0]=4 118 B7R0.15 CCN(CC)C(=O)C WXVL_AN0042SB0150 [0,0,1,0,0,0|3,0,0]=4 119 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,0,0,1,0|2,0,1]=4 120 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,0,0,1,0|2,0,1]=4 121 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [0,0,0,0,0,1|3,0,0]=4 123 B9R1.6 CC(=O)N1CCSCC1 WXVL_AN0896SB0150 [0,0,0,0,0,1|3,0,0]=4 124 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,0,0,0,0,1|2,1,0]=4 125 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,0,0,0,0,1|2,1,0]=4 126 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,0,0,0,0,1|2,1,0]=4 127 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,0,0,0,0,1|2,1,0]=4 128 B9R1.13 CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0150 [0,0,0,0,0,1|2,0,1]=4 129 B9R1.13 CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0150 [0,0,0,0,0,1|2,0,1]=4 130 B9R1.13 CC(=O)Nc1ccns1 WXVL_AF00325SB0150 [0,0,0,0,0,1|2,0,1]=4 131 B9R1.13 CC(=O)Nc1ccns1 WXVL_AF00325SB0150 [0,0,0,0,0,1|2,0,1]=4 132 B9R1.13 CC(=O)Nc1ccon1 WXVL_AF0028SB0150 [0,0,0,0,0,1|2,0,1]=4 133 B9R1.13 CC(=O)Nc1ccon1 WXVL_AF0028SB0150 [0,0,0,0,0,1|2,0,1]=4 134 B9R1.13 CC(=O)Nc1cncs1 WXVL_AF0724SB0150 [0,0,0,0,0,1|2,0,1]=4 135 B9R1.13 CC(=O)Nc1cncs1 WXVL_AF0724SB0150 [0,0,0,0,0,1|2,0,1]=4 136 B9R1.13 CC(=O)Nc1cnns1 WXVL_AF1103SB0150 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.13 CC(=O)Nc1cnns1 WXVL_AF1103SB0150 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.13 CC(=O)Nc1cscn1 WXVL_AF00216SB0150 [0,0,0,0,0,1|2,0,1]=4 139 B9R1.13 CC(=O)Nc1cscn1 WXVL_AF00216SB0150 [0,0,0,0,0,1|2,0,1]=4 140 B9R1.13 CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0150 [0,0,0,0,0,1|1,0,2]=4 141 B9R1.13 CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0150 [0,0,0,0,0,1|1,0,2]=4 142 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [0,0,0,0,0,1|0,1,2]=4 143 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [0,0,0,0,0,1|0,1,2]=4 144 B9R1.13 CC(=O)Nc1nccs1 WXVL_AF0003SB0150 [0,0,0,0,0,1|0,0,2]=3 145 B9R1.13 CC(=O)Nc1nccs1 WXVL_AF0003SB0150 [0,0,0,0,0,1|0,0,2]=3 146 B9R1.13 CC(=O)Nc1ncns1 WXVL_AF2937SB0150 [0,0,0,0,0,1|1,0,1]=3 147 B9R1.13 CC(=O)Nc1ncns1 WXVL_AF2937SB0150 [0,0,0,0,0,1|1,0,1]=3 148 B9R1.13 CC(=O)Nc1nn[nH]n1 WXVL_AF00090SB0150 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.13 CC(=O)Nc1nn[nH]n1 WXVL_AF00090SB0150 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.13 CC(=O)Nc1nnco1 WXVL_AF0087SB0150 [0,0,0,0,0,1|1,1,1]=4 151 B9R1.13 CC(=O)Nc1nnco1 WXVL_AF0087SB0150 [0,0,0,0,0,1|1,1,1]=4 152 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,1,0,0,0|1,0,1]=4 153 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,1,0,0,0|1,0,1]=4 154 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,1,0,0,0|1,0,1]=4 155 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,1,0,0,0|1,0,1]=4 156 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,1,0,0,0|1,0,1]=4 157 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,1,0,0,0|1,0,1]=4 158 B6R0.3 C/C=C(\C)/C(=O)N WXVL_AK0084SB0343 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.3 C/C=C(\C)/C(=O)N WXVL_AK0084SB0343 [1,0,1,0,0,0|2,0,0]=4 160 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [1,0,1,0,0,0|1,1,0]=4 161 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [1,0,1,0,0,0|1,1,0]=4 162 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [1,0,1,0,0,0|0,1,1]=4 163 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [1,0,1,0,0,0|0,1,1]=4 164 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,1,0,0,0|2,0,0]=4 165 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,1,0,0,0|2,0,0]=4 166 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,1,0,0,0|1,0,1]=4 167 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,1,0,0,0|1,0,1]=4 168 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,1,0,0,0|1,0,1]=4 169 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,1,0,0,0|1,0,1]=4 170 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,1,0,0,0|2,0,0]=4 171 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,1,0,0,0|2,0,0]=4 172 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,1,0,0,0|0,1,1]=4 173 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,1,0,0,0|0,1,1]=4 174 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,1,0,0,0|1,1,0]=4 175 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,1,0,0,0|1,1,0]=4 176 B8R0.23 CC(=O)C(=O)NC(C)C WXVL_AK0030SB0051 [0,1,1,0,0,0|0,1,1]=4 177 B8R0.23 CC(=O)C(=O)NC(C)C WXVL_AK0030SB0051 [0,1,1,0,0,0|0,1,1]=4 178 B8R1.23 CC(=O)N1CC(C1)C WXVL_AN0291SB0150 [0,1,0,0,1,0|2,0,0]=4 179 B8R1.23 CC(=O)N1CC(C1)C WXVL_AN0291SB0150 [0,1,0,0,1,0|2,0,0]=4 180 B8R1.23 CC(=O)N1CC(C1)O WXVL_AN0284SB0150 [0,1,0,0,1,0|2,0,0]=4 181 B8R1.23 CC(=O)N1CC(C1)O WXVL_AN0284SB0150 [0,1,0,0,1,0|2,0,0]=4 182 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,1,0,0,1,0|1,0,1]=4 183 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,1,0,0,1,0|1,0,1]=4 184 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [0,1,0,0,0,1|1,1,0]=4 185 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [0,1,0,0,0,1|1,1,0]=4 186 B10R1.15 CNC(=O)C1=COCCC1 WXVL_AK00442SB2928 [0,1,0,0,0,1|1,1,0]=4 187 B10R1.15 CNC(=O)C1=COCCC1 WXVL_AK00442SB2928 [0,1,0,0,0,1|1,1,0]=4 188 B10R1.27 CCC(=O)Nc1nccs1 WXVL_AF0003SB0064 [0,1,0,0,0,1|0,0,2]=4 189 B10R1.27 CCC(=O)Nc1nccs1 WXVL_AF0003SB0064 [0,1,0,0,0,1|0,0,2]=4 190 B10R1.27 CCC(=O)Nc1ncns1 WXVL_AF2937SB0064 [0,1,0,0,0,1|1,0,1]=4 191 B10R1.27 CCC(=O)Nc1ncns1 WXVL_AF2937SB0064 [0,1,0,0,0,1|1,0,1]=4 192 B10R1.27 O=C(CO)Nc1nccs1 WXVL_AF0003SB2706 [0,1,0,0,0,1|0,0,2]=4 193 B10R1.27 O=C(CO)Nc1nccs1 WXVL_AF0003SB2706 [0,1,0,0,0,1|0,0,2]=4 194 B10R1.27 O=C(CO)Nc1ncns1 WXVL_AF2937SB2706 [0,1,0,0,0,1|1,0,1]=4 195 B10R1.27 O=C(CO)Nc1ncns1 WXVL_AF2937SB2706 [0,1,0,0,0,1|1,0,1]=4 196 B10R1.54 CC(=O)Nc1nc(cs1)Br WXVL_AF3498SB0150 [0,1,0,0,0,1|0,0,2]=4 197 B10R1.54 CC(=O)Nc1nc(cs1)Br WXVL_AF3498SB0150 [0,1,0,0,0,1|0,0,2]=4 198 B10R1.54 CC(=O)Nc1nc(cs1)C WXVL_AF0004SB0150 [0,1,0,0,0,1|0,0,2]=4 199 B10R1.54 CC(=O)Nc1nc(cs1)C WXVL_AF0004SB0150 [0,1,0,0,0,1|0,0,2]=4 200 B10R1.54 CC(=O)Nc1nc(cs1)O WXVL_AF3701SB0150 [0,1,0,0,0,1|0,0,2]=4 201 B10R1.54 CC(=O)Nc1nc(cs1)O WXVL_AF3701SB0150 [0,1,0,0,0,1|0,0,2]=4 202 B10R1.54 CC(=O)Nc1nc(ns1)C WXVL_AF0045SB0150 [0,1,0,0,0,1|1,0,1]=4 203 B10R1.54 CC(=O)Nc1nc(ns1)C WXVL_AF0045SB0150 [0,1,0,0,0,1|1,0,1]=4 204 B10R1.54 CC(=O)Nc1ncc(s1)Br WXVL_AF2420SB0150 [0,1,0,0,0,1|0,0,2]=4 205 B10R1.54 CC(=O)Nc1ncc(s1)Br WXVL_AF2420SB0150 [0,1,0,0,0,1|0,0,2]=4 206 B10R1.54 CC(=O)Nc1ncc(s1)C WXVL_AF2555SB0150 [0,1,0,0,0,1|0,0,2]=4 207 B10R1.54 CC(=O)Nc1ncc(s1)C WXVL_AF2555SB0150 [0,1,0,0,0,1|0,0,2]=4 208 B10R1.54 CC(=O)Nc1ncc(s1)F WXVL_AF00078SB0150 [0,1,0,0,0,1|0,0,2]=4 209 B10R1.54 CC(=O)Nc1ncc(s1)F WXVL_AF00078SB0150 [0,1,0,0,0,1|0,0,2]=4 210 B10R1.54 CC(=O)Nc1nnc(s1)Br WXVL_AF0144SB0150 [0,1,0,0,0,1|1,0,1]=4 211 B10R1.54 CC(=O)Nc1nnc(s1)Br WXVL_AF0144SB0150 [0,1,0,0,0,1|1,0,1]=4 212 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,2,0,0,0,0|1,0,1]=4 213 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,2,0,0,0,0|1,0,1]=4 214 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,2,0,0,0,0|0,0,2]=4 215 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,2,0,0,0,0|0,0,2]=4 216 B10R1.14 CNC(=O)c1nc(cs1)Br WXVL_AK00442SC0687 [0,2,0,0,0,0|0,0,2]=4 217 B10R1.14 CNC(=O)c1nc(cs1)Br WXVL_AK00442SC0687 [0,2,0,0,0,0|0,0,2]=4 218 B10R1.14 CNC(=O)c1nc(cs1)C WXVL_AK00442SC0538 [0,2,0,0,0,0|0,0,2]=4 219 B10R1.14 CNC(=O)c1nc(cs1)C WXVL_AK00442SC0538 [0,2,0,0,0,0|0,0,2]=4 220 B10R1.14 CNC(=O)c1ncc(s1)C WXVL_AK00442SC0031 [0,2,0,0,0,0|0,0,2]=4 221 B10R1.14 CNC(=O)c1ncc(s1)C WXVL_AK00442SC0031 [0,2,0,0,0,0|0,0,2]=4 222 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [0,0,0,0,2,0|1,0,1]=4 223 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [0,0,0,0,2,0|1,0,1]=4 224 B10R1.66 CC(=O)NCc1nccs1 WXVL_AK0153SB0150 [0,0,0,0,0,2|0,0,2]=4 225 B10R1.66 CC(=O)NCc1nccs1 WXVL_AK0153SB0150 [0,0,0,0,0,2|0,0,2]=4