0 B10R1.66 CC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0150 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 CC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0150 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [0,0,0,0,0,0|1,1,1]=3 7 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [0,0,0,0,0,0|1,1,1]=3 8 B10R1.66 CC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0150 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.66 CC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0150 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.66 CC(=O)NCc1ccoc1 WXVL_AK2033SB0150 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.66 CC(=O)NCc1ccoc1 WXVL_AK2033SB0150 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.66 CC(=O)NCc1ccsc1 WXVL_AK00174SB0150 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.66 CC(=O)NCc1ccsc1 WXVL_AK00174SB0150 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.66 CC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0150 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.66 CC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0150 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.66 CC(=O)NCc1cncs1 WXVL_AK0526SB0150 [0,0,0,0,0,0|2,1,1]=4 19 B10R1.66 CC(=O)NCc1cncs1 WXVL_AK0526SB0150 [0,0,0,0,0,0|2,1,1]=4 20 B10R1.66 CC(=O)NCc1cocn1 WXVL_AK00016SB0150 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.66 CC(=O)NCc1cocn1 WXVL_AK00016SB0150 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.66 CC(=O)NCc1cscn1 WXVL_AK0325SB0150 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.66 CC(=O)NCc1cscn1 WXVL_AK0325SB0150 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.66 CC(=O)NCc1nccs1 WXVL_AK0153SB0150 [0,0,0,0,0,0|2,1,1]=4 25 B10R1.66 CC(=O)NCc1nccs1 WXVL_AK0153SB0150 [0,0,0,0,0,0|2,1,1]=4 26 B10R1.66 NC(=O)/C=C/c1c[nH]cn1 WXVL_AK0084SA0730 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.66 NC(=O)/C=C/c1c[nH]cn1 WXVL_AK0084SA0730 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.66 NC(=O)/C=C/c1ccco1 WXVL_AK0084SA0180 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.66 NC(=O)/C=C/c1ccco1 WXVL_AK0084SA0180 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.66 NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [0,0,0,0,0,0|1,1,0]=2 31 B10R1.66 NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [0,0,0,0,0,0|1,1,0]=2 32 B10R1.66 NC(=O)/C=C/c1ccoc1 WXVL_AK0084SA0047 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.66 NC(=O)/C=C/c1ccoc1 WXVL_AK0084SA0047 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.66 NC(=O)/C=C/c1ccsc1 WXVL_AK0084SA0251 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.66 NC(=O)/C=C/c1ccsc1 WXVL_AK0084SA0251 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [0,0,0,0,0,0|1,0,2]=3 39 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [0,0,0,0,0,0|1,0,2]=3 40 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [0,0,0,0,0,0|1,1,2]=4 41 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [0,0,0,0,0,0|1,1,2]=4 42 B11R1.25 C#CC(=O)NCc1ccco1 WXVL_AK0010SB0338 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.25 C#CC(=O)NCc1ccco1 WXVL_AK0010SB0338 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,1,0,0,0,0|1,1,1]=4 49 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,1,0,0,0,0|1,1,1]=4 50 B11R1.25 CCC(=O)NCc1cnco1 WXVL_AK1437SB0064 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.25 CCC(=O)NCc1cnco1 WXVL_AK1437SB0064 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.25 CNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00442SA0730 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.25 CNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00442SA0730 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [0,1,0,0,0,0|0,1,0]=2 57 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [0,1,0,0,0,0|0,1,0]=2 58 B11R1.25 CNC(=O)/C=C/c1ccoc1 WXVL_AK00442SA0047 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.25 CNC(=O)/C=C/c1ccoc1 WXVL_AK00442SA0047 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.25 CNC(=O)/C=C/c1ccsc1 WXVL_AK00442SA0251 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.25 CNC(=O)/C=C/c1ccsc1 WXVL_AK00442SA0251 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,1,0,0,0,0|0,0,2]=3 65 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,1,0,0,0,0|0,0,2]=3 66 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,1,0,0,0,0|0,1,2]=4 67 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,1,0,0,0,0|0,1,2]=4 68 B11R1.25 O=C(CO)NCc1ccc[nH]1 WXVL_AK00759SB2706 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.25 O=C(CO)NCc1ccc[nH]1 WXVL_AK00759SB2706 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.25 O=C(CO)NCc1cccs1 WXVL_AK0014SB2706 [0,1,0,0,0,0|1,1,1]=4 73 B11R1.25 O=C(CO)NCc1cccs1 WXVL_AK0014SB2706 [0,1,0,0,0,0|1,1,1]=4 74 B11R1.25 O=C(CO)NCc1cnco1 WXVL_AK1437SB2706 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.25 O=C(CO)NCc1cnco1 WXVL_AK1437SB2706 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.35 CC(=O)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB0051 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.35 CC(=O)C(=O)Nc1cc[nH]n1 WXVL_AF2373SB0051 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.35 CC(=O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0051 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.35 CC(=O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0051 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.35 CC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0051 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.35 CC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0051 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.35 CC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0051 [0,1,0,0,0,0|2,1,0]=4 83 B11R1.35 CC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0051 [0,1,0,0,0,0|2,1,0]=4 84 B11R1.35 CC(=O)C(=O)Nc1ccon1 WXVL_AF0028SB0051 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.35 CC(=O)C(=O)Nc1ccon1 WXVL_AF0028SB0051 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.35 CC(=O)C(=O)Nc1ccsc1 WXVL_AF00105SB0051 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.35 CC(=O)C(=O)Nc1ccsc1 WXVL_AF00105SB0051 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.35 CC(=O)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB0051 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.35 CC(=O)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB0051 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.35 CC(=O)C(=O)Nc1cncs1 WXVL_AF0724SB0051 [0,1,0,0,0,0|2,1,0]=4 91 B11R1.35 CC(=O)C(=O)Nc1cncs1 WXVL_AF0724SB0051 [0,1,0,0,0,0|2,1,0]=4 92 B11R1.35 CC(=O)C(=O)Nc1cscn1 WXVL_AF00216SB0051 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.35 CC(=O)C(=O)Nc1cscn1 WXVL_AF00216SB0051 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.35 CC(=O)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0051 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.35 CC(=O)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0051 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.35 CC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0051 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.35 CC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0051 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.35 CC(=O)C(=O)Nc1nccs1 WXVL_AF0003SB0051 [0,1,0,0,0,0|2,1,0]=4 99 B11R1.35 CC(=O)C(=O)Nc1nccs1 WXVL_AF0003SB0051 [0,1,0,0,0,0|2,1,0]=4 100 B11R1.35 CC(=O)C(=O)Nc1nnco1 WXVL_AF0087SB0051 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.35 CC(=O)C(=O)Nc1nnco1 WXVL_AF0087SB0051 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.35 CC(Cc1ccco1)C(=O)N WXVL_AK0084SA2637 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.35 CC(Cc1ccco1)C(=O)N WXVL_AK0084SA2637 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.35 NC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0128 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.35 NC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0128 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.35 NC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0128 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.35 NC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0128 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.75 CC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0150 [0,1,0,0,0,0|1,1,1]=4 109 B11R1.75 CC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0150 [0,1,0,0,0,0|1,1,1]=4 110 B11R1.75 CC(=O)NCc1cc(no1)Br WXVL_AK1427SB0150 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.75 CC(=O)NCc1cc(no1)Br WXVL_AK1427SB0150 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.75 CC(=O)NCc1cc(no1)C WXVL_AK1064SB0150 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.75 CC(=O)NCc1cc(no1)C WXVL_AK1064SB0150 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.75 CC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0150 [0,1,0,0,0,0|1,1,1]=4 115 B11R1.75 CC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0150 [0,1,0,0,0,0|1,1,1]=4 116 B11R1.75 CC(=O)NCc1ccc(s1)C WXVL_AK0276SB0150 [0,1,0,0,0,0|1,1,1]=4 117 B11R1.75 CC(=O)NCc1ccc(s1)C WXVL_AK0276SB0150 [0,1,0,0,0,0|1,1,1]=4 118 B11R1.75 CC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0150 [0,1,0,0,0,0|1,1,1]=4 119 B11R1.75 CC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0150 [0,1,0,0,0,0|1,1,1]=4 120 B11R1.75 Cc1ccc(s1)/C=C/C(=O)N WXVL_AK0084SA1334 [0,1,0,0,0,0|1,1,0]=3 121 B11R1.75 Cc1ccc(s1)/C=C/C(=O)N WXVL_AK0084SA1334 [0,1,0,0,0,0|1,1,0]=3 122 B11R1.77 CC(=O)NC(C)c1ccno1 WXVL_AK6536SB0150 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.77 CC(=O)NC(C)c1ccno1 WXVL_AK6536SB0150 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0150 [0,1,0,0,0,0|1,1,1]=4 125 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0150 [0,1,0,0,0,0|1,1,1]=4 126 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.90 CC(=O)NCc1cccn1C WXVL_AK0499SB0150 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.90 CC(=O)NCc1cccn1C WXVL_AK0499SB0150 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.90 CC(=O)NCc1sccc1Cl WXVL_AK4332SB0150 [0,1,0,0,0,0|1,1,1]=4 131 B11R1.90 CC(=O)NCc1sccc1Cl WXVL_AK4332SB0150 [0,1,0,0,0,0|1,1,1]=4 132 B9R1.13 CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0150 [0,0,0,0,1,0|3,0,0]=4 133 B9R1.13 CC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0150 [0,0,0,0,1,0|3,0,0]=4 134 B9R1.13 CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0150 [0,0,0,0,1,0|3,0,0]=4 135 B9R1.13 CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0150 [0,0,0,0,1,0|3,0,0]=4 136 B9R1.13 CC(=O)Nc1ccno1 WXVL_AF0588SB0150 [0,0,0,0,1,0|2,0,0]=3 137 B9R1.13 CC(=O)Nc1ccno1 WXVL_AF0588SB0150 [0,0,0,0,1,0|2,0,0]=3 138 B9R1.13 CC(=O)Nc1ccns1 WXVL_AF00325SB0150 [0,0,0,0,1,0|2,1,0]=4 139 B9R1.13 CC(=O)Nc1ccns1 WXVL_AF00325SB0150 [0,0,0,0,1,0|2,1,0]=4 140 B9R1.13 CC(=O)Nc1ccon1 WXVL_AF0028SB0150 [0,0,0,0,1,0|3,0,0]=4 141 B9R1.13 CC(=O)Nc1ccon1 WXVL_AF0028SB0150 [0,0,0,0,1,0|3,0,0]=4 142 B9R1.13 CC(=O)Nc1ccsc1 WXVL_AF00105SB0150 [0,0,0,0,1,0|3,0,0]=4 143 B9R1.13 CC(=O)Nc1ccsc1 WXVL_AF00105SB0150 [0,0,0,0,1,0|3,0,0]=4 144 B9R1.13 CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0150 [0,0,0,0,1,0|3,0,0]=4 145 B9R1.13 CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0150 [0,0,0,0,1,0|3,0,0]=4 146 B9R1.13 CC(=O)Nc1cncs1 WXVL_AF0724SB0150 [0,0,0,0,1,0|2,1,0]=4 147 B9R1.13 CC(=O)Nc1cncs1 WXVL_AF0724SB0150 [0,0,0,0,1,0|2,1,0]=4 148 B9R1.13 CC(=O)Nc1cscn1 WXVL_AF00216SB0150 [0,0,0,0,1,0|3,0,0]=4 149 B9R1.13 CC(=O)Nc1cscn1 WXVL_AF00216SB0150 [0,0,0,0,1,0|3,0,0]=4 150 B9R1.13 CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0150 [0,0,0,0,1,0|3,0,0]=4 151 B9R1.13 CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0150 [0,0,0,0,1,0|3,0,0]=4 152 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [0,0,0,0,1,0|2,0,0]=3 153 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [0,0,0,0,1,0|2,0,0]=3 154 B9R1.13 CC(=O)Nc1nccs1 WXVL_AF0003SB0150 [0,0,0,0,1,0|2,1,0]=4 155 B9R1.13 CC(=O)Nc1nccs1 WXVL_AF0003SB0150 [0,0,0,0,1,0|2,1,0]=4 156 B9R1.13 CC(=O)Nc1nnco1 WXVL_AF0087SB0150 [0,0,0,0,1,0|3,0,0]=4 157 B9R1.13 CC(=O)Nc1nnco1 WXVL_AF0087SB0150 [0,0,0,0,1,0|3,0,0]=4 158 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [0,0,0,0,1,0|1,1,1]=4 159 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [0,0,0,0,1,0|1,1,1]=4 160 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,0,0,0,0,1|2,0,1]=4 161 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,0,0,0,0,1|2,0,1]=4 162 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,0,0,0,0,1|2,0,1]=4 163 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,0,0,0,0,1|2,0,1]=4 164 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [0,0,0,0,0,1|2,0,1]=4 165 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [0,0,0,0,0,1|2,0,1]=4 166 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [0,0,0,0,0,1|2,0,1]=4 167 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [0,0,0,0,0,1|2,0,1]=4 168 B11R1.91 CC(=O)NCc1ccncn1 WXVL_AK1356SB0150 [0,0,0,0,0,1|2,0,1]=4 169 B11R1.91 CC(=O)NCc1ccncn1 WXVL_AK1356SB0150 [0,0,0,0,0,1|2,0,1]=4 170 B11R1.91 CC(=O)NCc1cnccn1 WXVL_AK00262SB0150 [0,0,0,0,0,1|2,0,1]=4 171 B11R1.91 CC(=O)NCc1cnccn1 WXVL_AK00262SB0150 [0,0,0,0,0,1|2,0,1]=4 172 B11R1.91 CC(=O)NCc1ncccn1 WXVL_AK0279SB0150 [0,0,0,0,0,1|2,0,1]=4 173 B11R1.91 CC(=O)NCc1ncccn1 WXVL_AK0279SB0150 [0,0,0,0,0,1|2,0,1]=4 174 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [0,0,0,0,0,1|2,0,0]=3 175 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [0,0,0,0,0,1|2,0,0]=3 176 B11R1.91 NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [0,0,0,0,0,1|2,0,0]=3 177 B11R1.91 NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [0,0,0,0,0,1|2,0,0]=3 178 B11R1.91 NC(=O)/C=C/c1cnccn1 WXVL_AK0084SA2885 [0,0,0,0,0,1|2,0,0]=3 179 B11R1.91 NC(=O)/C=C/c1cnccn1 WXVL_AK0084SA2885 [0,0,0,0,0,1|2,0,0]=3 180 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,0,0,0,0,1|0,0,2]=3 181 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,0,0,0,0,1|0,0,2]=3 182 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,0,0,0,0,1|0,1,2]=4 183 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,0,0,0,0,1|0,1,2]=4 184 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.23 CN(C)C(=O)c1ccco1 WXVL_AN0032SC0049 [0,1,0,0,1,0|2,0,0]=4 187 B10R1.23 CN(C)C(=O)c1ccco1 WXVL_AN0032SC0049 [0,1,0,0,1,0|2,0,0]=4 188 B10R1.23 NC(=O)C(=O)c1ccco1 WXVL_AK0084SA0049 [0,1,0,0,1,0|1,0,0]=3 189 B10R1.23 NC(=O)C(=O)c1ccco1 WXVL_AK0084SA0049 [0,1,0,0,1,0|1,0,0]=3 190 B10R1.54 CC(=O)Nc1cc(no1)C WXVL_AF0001SB0150 [0,1,0,0,1,0|2,0,0]=4 191 B10R1.54 CC(=O)Nc1cc(no1)C WXVL_AF0001SB0150 [0,1,0,0,1,0|2,0,0]=4 192 B10R1.54 CC(=O)Nc1nc(co1)C WXVL_AF0249SB0150 [0,1,0,0,1,0|2,0,0]=4 193 B10R1.54 CC(=O)Nc1nc(co1)C WXVL_AF0249SB0150 [0,1,0,0,1,0|2,0,0]=4 194 B12R1.21 Cc1ccc(cc1)C=CC(=O)N WXVL_AK0084SB0060 [0,1,0,0,0,1|2,0,0]=4 195 B12R1.21 Cc1ccc(cc1)C=CC(=O)N WXVL_AK0084SB0060 [0,1,0,0,0,1|2,0,0]=4 196 B12R1.21 NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0084SB0418 [0,1,0,0,0,1|2,0,0]=4 197 B12R1.21 NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0084SB0418 [0,1,0,0,0,1|2,0,0]=4 198 B12R1.21 NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0084SB1122 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.21 NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0084SB1122 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.21 NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0084SB0119 [0,1,0,0,0,1|2,0,0]=4 201 B12R1.21 NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0084SB0119 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.21 NC(=O)C=Cc1ccc(cc1)F WXVL_AK0084SB1186 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.21 NC(=O)C=Cc1ccc(cc1)F WXVL_AK0084SB1186 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,1,0,0,0,1|1,0,0]=3 205 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,1,0,0,0,1|1,0,0]=3 206 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,1,0,0,0,1|1,0,0]=3 207 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,1,0,0,0,1|1,0,0]=3 208 B12R1.27 CNC(=O)/C=C/c1cnccn1 WXVL_AK00442SA2885 [0,1,0,0,0,1|1,0,0]=3 209 B12R1.27 CNC(=O)/C=C/c1cnccn1 WXVL_AK00442SA2885 [0,1,0,0,0,1|1,0,0]=3 210 B12R1.43 C/C(=C\c1cccnc1)/C(=O)N WXVL_AK0084SA1933 [0,1,0,0,0,1|2,0,0]=4 211 B12R1.43 C/C(=C\c1cccnc1)/C(=O)N WXVL_AK0084SA1933 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.43 CC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0051 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.43 CC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0051 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.43 CC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0051 [0,1,0,0,0,1|2,0,0]=4 215 B12R1.43 CC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0051 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.43 CC(=O)C(=O)Nc1cccnn1 WXVL_AF0151SB0051 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.43 CC(=O)C(=O)Nc1cccnn1 WXVL_AF0151SB0051 [0,1,0,0,0,1|2,0,0]=4 218 B12R1.43 CC(=O)C(=O)Nc1ccncn1 WXVL_AF0139SB0051 [0,1,0,0,0,1|2,0,0]=4 219 B12R1.43 CC(=O)C(=O)Nc1ccncn1 WXVL_AF0139SB0051 [0,1,0,0,0,1|2,0,0]=4 220 B12R1.43 CC(=O)C(=O)Nc1cnccn1 WXVL_AF0120SB0051 [0,1,0,0,0,1|2,0,0]=4 221 B12R1.43 CC(=O)C(=O)Nc1cnccn1 WXVL_AF0120SB0051 [0,1,0,0,0,1|2,0,0]=4 222 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [0,1,0,0,0,1|2,0,0]=4 223 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [0,1,0,0,0,1|2,0,0]=4 224 B12R1.226 NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0084SB1601 [0,1,0,0,0,1|2,0,0]=4 225 B12R1.226 NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0084SB1601 [0,1,0,0,0,1|2,0,0]=4 226 B12R1.226 NC(=O)C=Cc1cccc(c1)O WXVL_AK0084SB0417 [0,1,0,0,0,1|2,0,0]=4 227 B12R1.226 NC(=O)C=Cc1cccc(c1)O WXVL_AK0084SB0417 [0,1,0,0,0,1|2,0,0]=4 228 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [0,1,0,0,0,1|1,0,1]=4 229 B12R1.54 C=C(C)CNC(=O)c1ccco1 WXVL_AK0761SC0049 [0,1,0,0,0,1|1,0,1]=4 230 B12R1.54 NC(=O)CNC(=O)c1ccco1 WXVL_AK0147SC0049 [0,1,0,0,0,1|1,0,1]=4 231 B12R1.54 NC(=O)CNC(=O)c1ccco1 WXVL_AK0147SC0049 [0,1,0,0,0,1|1,0,1]=4 232 B12R1.260 CC(=CC(=O)Nc1ccno1)C WXVL_AF0588SB0342 [0,1,0,0,0,1|2,0,0]=4 233 B12R1.260 CC(=CC(=O)Nc1ccno1)C WXVL_AF0588SB0342 [0,1,0,0,0,1|2,0,0]=4 234 B12R1.260 CC(=CC(=O)Nc1ncco1)C WXVL_AF0235SB0342 [0,1,0,0,0,1|2,0,0]=4 235 B12R1.260 CC(=CC(=O)Nc1ncco1)C WXVL_AF0235SB0342 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.264 CC(=O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0051 [0,1,0,0,0,1|1,0,1]=4 237 B12R1.264 CC(=O)C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0051 [0,1,0,0,0,1|1,0,1]=4 238 B12R1.264 CC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB0051 [0,1,0,0,0,1|0,0,1]=3 239 B12R1.264 CC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB0051 [0,1,0,0,0,1|0,0,1]=3 240 B12R1.264 CC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB0051 [0,1,0,0,0,1|0,1,1]=4 241 B12R1.264 CC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB0051 [0,1,0,0,0,1|0,1,1]=4 242 B12R1.264 CC(=O)C(=O)NCc1cnco1 WXVL_AK1437SB0051 [0,1,0,0,0,1|1,0,1]=4 243 B12R1.264 CC(=O)C(=O)NCc1cnco1 WXVL_AK1437SB0051 [0,1,0,0,0,1|1,0,1]=4 244 B12R1.264 CN(C)C(=O)/C=C/c1ccco1 WXVL_AN0032SA0180 [0,1,0,0,0,1|2,0,0]=4 245 B12R1.264 CN(C)C(=O)/C=C/c1ccco1 WXVL_AN0032SA0180 [0,1,0,0,0,1|2,0,0]=4 246 B12R1.264 NC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB0128 [0,1,0,0,0,1|1,0,1]=4 247 B12R1.264 NC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB0128 [0,1,0,0,0,1|1,0,1]=4 248 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [0,1,0,0,0,1|0,0,2]=4 249 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [0,1,0,0,0,1|0,0,2]=4 250 B12R1.477 O=C(CO)NCCc1ccco1 WXVL_AK0989SB2706 [0,1,0,0,0,1|0,0,2]=4 251 B12R1.477 O=C(CO)NCCc1ccco1 WXVL_AK0989SB2706 [0,1,0,0,0,1|0,0,2]=4 252 B12R1.26 CNC(=O)/C=C/c1ccc(s1)C WXVL_AK00442SA1334 [0,2,0,0,0,0|0,1,0]=3 253 B12R1.26 CNC(=O)/C=C/c1ccc(s1)C WXVL_AK00442SA1334 [0,2,0,0,0,0|0,1,0]=3 254 B12R1.51 C#CCC(=O)NCc1ccco1 WXVL_AK0010SB3070 [0,2,0,0,0,0|1,0,1]=4 255 B12R1.51 C#CCC(=O)NCc1ccco1 WXVL_AK0010SB3070 [0,2,0,0,0,0|1,0,1]=4 256 B12R1.51 C/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB0340 [0,2,0,0,0,0|1,0,1]=4 257 B12R1.51 C/C=C/C(=O)NCc1ccco1 WXVL_AK0010SB0340 [0,2,0,0,0,0|1,0,1]=4 258 B12R1.51 C=CCC(=O)NCc1ccco1 WXVL_AK0010SB2732 [0,2,0,0,0,0|1,0,1]=4 259 B12R1.51 C=CCC(=O)NCc1ccco1 WXVL_AK0010SB2732 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.51 CC#CC(=O)NCc1ccco1 WXVL_AK0010SB1240 [0,2,0,0,0,0|1,0,1]=4 261 B12R1.51 CC#CC(=O)NCc1ccco1 WXVL_AK0010SB1240 [0,2,0,0,0,0|1,0,1]=4 262 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,2,0,0,0,0|1,0,1]=4 263 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,2,0,0,0,0|1,0,1]=4 264 B12R1.51 CCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00476SA0730 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.51 CCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00476SA0730 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,2,0,0,0,0|0,0,0]=2 267 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,2,0,0,0,0|0,0,0]=2 268 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,2,0,0,0,0|0,1,0]=3 269 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,2,0,0,0,0|0,1,0]=3 270 B12R1.51 CCNC(=O)/C=C/c1ccoc1 WXVL_AK00476SA0047 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.51 CCNC(=O)/C=C/c1ccoc1 WXVL_AK00476SA0047 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.51 CCNC(=O)/C=C/c1ccsc1 WXVL_AK00476SA0251 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.51 CCNC(=O)/C=C/c1ccsc1 WXVL_AK00476SA0251 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,2,0,0,0,0|0,0,2]=4 275 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,2,0,0,0,0|0,0,2]=4 276 B12R1.51 COCC(=O)NCc1ccco1 WXVL_AK0010SB0090 [0,2,0,0,0,0|1,0,1]=4 277 B12R1.51 COCC(=O)NCc1ccco1 WXVL_AK0010SB0090 [0,2,0,0,0,0|1,0,1]=4 278 B12R1.51 CSCC(=O)NCc1ccco1 WXVL_AK0010SB1267 [0,2,0,0,0,0|1,0,1]=4 279 B12R1.51 CSCC(=O)NCc1ccco1 WXVL_AK0010SB1267 [0,2,0,0,0,0|1,0,1]=4 280 B12R1.51 N#CCC(=O)NCc1ccco1 WXVL_AK0010SB0057 [0,2,0,0,0,0|1,0,1]=4 281 B12R1.51 N#CCC(=O)NCc1ccco1 WXVL_AK0010SB0057 [0,2,0,0,0,0|1,0,1]=4 282 B12R1.108 CCC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0344 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.108 CCC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0344 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.108 CCC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0344 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.108 CCC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0344 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.108 CNC(=O)C(C)Cc1ccco1 WXVL_AK00442SA2637 [0,2,0,0,0,0|0,0,2]=4 287 B12R1.108 CNC(=O)C(C)Cc1ccco1 WXVL_AK00442SA2637 [0,2,0,0,0,0|0,0,2]=4 288 B12R1.104 CC(=O)C(=O)Nc1cc(no1)C WXVL_AF0001SB0051 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.104 CC(=O)C(=O)Nc1cc(no1)C WXVL_AF0001SB0051 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.104 CC(=O)C(=O)Nc1nc(co1)C WXVL_AF0249SB0051 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.104 CC(=O)C(=O)Nc1nc(co1)C WXVL_AF0249SB0051 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.120 CN(C)C(=O)C(=O)c1ccco1 WXVL_AN0032SA0049 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.120 CN(C)C(=O)C(=O)c1ccco1 WXVL_AN0032SA0049 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,0,1,1,0,0|2,0,0]=4 295 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,0,1,1,0,0|2,0,0]=4 296 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [0,0,1,1,0,0|2,0,0]=4 297 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [0,0,1,1,0,0|2,0,0]=4 298 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [0,0,1,1,0,0|2,0,0]=4 299 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [0,0,1,1,0,0|2,0,0]=4 300 B10R1.61 NC(=O)c1ccccc1Br WXVL_AK0084SD0002 [0,0,1,1,0,0|2,0,0]=4 301 B10R1.61 NC(=O)c1ccccc1Br WXVL_AK0084SD0002 [0,0,1,1,0,0|2,0,0]=4 302 B10R1.61 NC(=O)c1ccccc1Cl WXVL_AK0084SD0006 [0,0,1,1,0,0|2,0,0]=4 303 B10R1.61 NC(=O)c1ccccc1Cl WXVL_AK0084SD0006 [0,0,1,1,0,0|2,0,0]=4 304 B10R1.61 NC(=O)c1ccccc1F WXVL_AK0084SD0003 [0,0,1,1,0,0|2,0,0]=4 305 B10R1.61 NC(=O)c1ccccc1F WXVL_AK0084SD0003 [0,0,1,1,0,0|2,0,0]=4 306 B10R1.61 NC(=O)c1ccccc1I WXVL_AK0084SD0303 [0,0,1,1,0,0|2,0,0]=4 307 B10R1.61 NC(=O)c1ccccc1I WXVL_AK0084SD0303 [0,0,1,1,0,0|2,0,0]=4 308 B10R1.61 NC(=O)c1ccccc1O WXVL_AK0084SD00056 [0,0,1,1,0,0|1,0,0]=3 309 B10R1.61 NC(=O)c1ccccc1O WXVL_AK0084SD00056 [0,0,1,1,0,0|1,0,0]=3 310 B10R1.61 NC(=O)c1ccccc1S WXVL_AK0084SD0153 [0,0,1,1,0,0|1,1,0]=4 311 B10R1.61 NC(=O)c1ccccc1S WXVL_AK0084SD0153 [0,0,1,1,0,0|1,1,0]=4 312 B10R1.61 NC(=O)c1cccnc1O WXVL_AK0084SC0063 [0,0,1,1,0,0|2,0,0]=4 313 B10R1.61 NC(=O)c1cccnc1O WXVL_AK0084SC0063 [0,0,1,1,0,0|2,0,0]=4 314 B10R1.61 NC(=O)c1ccncc1O WXVL_AK0084SC0354 [0,0,1,1,0,0|2,0,0]=4 315 B10R1.61 NC(=O)c1ccncc1O WXVL_AK0084SC0354 [0,0,1,1,0,0|2,0,0]=4 316 B10R1.113 Cc1cccc(c1)C(=O)N WXVL_AK0084SD0056 [0,0,1,1,0,0|2,0,0]=4 317 B10R1.113 Cc1cccc(c1)C(=O)N WXVL_AK0084SD0056 [0,0,1,1,0,0|2,0,0]=4 318 B10R1.113 NC(=O)c1cccc(c1)Br WXVL_AK0084SD0041 [0,0,1,1,0,0|2,0,0]=4 319 B10R1.113 NC(=O)c1cccc(c1)Br WXVL_AK0084SD0041 [0,0,1,1,0,0|2,0,0]=4 320 B10R1.113 NC(=O)c1cccc(c1)Cl WXVL_AK0084SD0045 [0,0,1,1,0,0|2,0,0]=4 321 B10R1.113 NC(=O)c1cccc(c1)Cl WXVL_AK0084SD0045 [0,0,1,1,0,0|2,0,0]=4 322 B10R1.113 NC(=O)c1cccc(c1)F WXVL_AK0084SD0043 [0,0,1,1,0,0|2,0,0]=4 323 B10R1.113 NC(=O)c1cccc(c1)F WXVL_AK0084SD0043 [0,0,1,1,0,0|2,0,0]=4 324 B10R1.113 NC(=O)c1cccc(c1)I WXVL_AK0084SD0405 [0,0,1,1,0,0|2,0,0]=4 325 B10R1.113 NC(=O)c1cccc(c1)I WXVL_AK0084SD0405 [0,0,1,1,0,0|2,0,0]=4 326 B10R1.113 NC(=O)c1cccc(c1)O WXVL_AK0084SD1724 [0,0,1,1,0,0|1,0,0]=3 327 B10R1.113 NC(=O)c1cccc(c1)O WXVL_AK0084SD1724 [0,0,1,1,0,0|1,0,0]=3 328 B10R1.113 NC(=O)c1cccc(n1)O WXVL_AK0084SC0084 [0,0,1,1,0,0|2,0,0]=4 329 B10R1.113 NC(=O)c1cccc(n1)O WXVL_AK0084SC0084 [0,0,1,1,0,0|2,0,0]=4 330 B10R1.113 NC(=O)c1ccnc(c1)O WXVL_AK0084SC0131 [0,0,1,1,0,0|2,0,0]=4 331 B10R1.113 NC(=O)c1ccnc(c1)O WXVL_AK0084SC0131 [0,0,1,1,0,0|2,0,0]=4 332 B10R1.113 NC(=O)c1cncc(c1)O WXVL_AK0084SC0333 [0,0,1,1,0,0|2,0,0]=4 333 B10R1.113 NC(=O)c1cncc(c1)O WXVL_AK0084SC0333 [0,0,1,1,0,0|2,0,0]=4 334 B12R2.6 Cc1cc(cs1)c2cccs2 WXVL_LR0498BT9786 [0,0,0,1,0,1|1,1,0]=4 335 B12R2.6 Cc1ccc(o1)c2cccs2 WXVL_LR0498BT2297 [0,0,0,1,0,1|0,1,1]=4 336 B12R2.6 Cc1ccc(s1)c2ccco2 WXVL_LR0501BT1995 [0,0,0,1,0,1|0,1,0]=3 337 B12R2.6 Cc1ccc(s1)c2cccs2 WXVL_LR0501BT1547 [0,0,0,1,0,1|0,2,0]=4 338 B12R2.6 Cc1ccc(s1)c2cccs2 WXVL_LR0501BT4023 [0,0,0,1,0,1|0,2,0]=4 339 B12R2.6 Cc1ccc(s1)c2cccs2 WXVL_LR0501BT5079 [0,0,0,1,0,1|0,2,0]=4 340 B12R2.6 Cc1cnc([nH]1)c2ccco2 WXVL_LR1156BT1995 [0,0,0,1,0,1|1,0,0]=3 341 B12R2.6 Cc1cnc([nH]1)c2cccs2 WXVL_LR1156BT1547 [0,0,0,1,0,1|1,1,0]=4 342 B12R2.6 Cc1cnc([nH]1)c2cccs2 WXVL_LR1156BT4023 [0,0,0,1,0,1|1,1,0]=4 343 B12R2.6 Cc1cnc([nH]1)c2cccs2 WXVL_LR1156BT5079 [0,0,0,1,0,1|1,1,0]=4 344 B12R2.6 Cc1csc(c1)c2cccs2 WXVL_LR0498BT2315 [0,0,0,1,0,1|1,1,0]=4 345 B12R2.6 Cc1nc(no1)c2ccco2 WXVL_LR0423BT1995 [0,0,0,1,0,1|2,0,0]=4 346 B12R2.6 Cc1ncc(s1)c2ccco2 WXVL_LR0558BT1995 [0,0,0,1,0,1|0,1,0]=3 347 B12R2.6 Cc1ncc(s1)c2cccs2 WXVL_LR0498BT2292 [0,0,0,1,0,1|0,2,0]=4 348 B12R2.6 Cc1ncc(s1)c2cccs2 WXVL_LR0558BT1547 [0,0,0,1,0,1|0,2,0]=4 349 B12R2.6 Cc1ncc(s1)c2cccs2 WXVL_LR0558BT4023 [0,0,0,1,0,1|0,2,0]=4 350 B12R2.6 Cc1ncc(s1)c2cccs2 WXVL_LR0558BT5079 [0,0,0,1,0,1|0,2,0]=4 351 B12R2.6 Cc1nnc(o1)c2ccco2 WXVL_LR0506BT1995 [0,0,0,1,0,1|1,0,1]=4 352 B12R2.6 Clc1cc(cs1)c2ccco2 WXVL_LR0844BT1995 [0,0,0,1,0,1|1,0,1]=4 353 B12R2.6 Clc1ccc(s1)c2ccco2 WXVL_LR0493BT1995 [0,0,0,1,0,1|1,1,0]=4 354 B12R2.6 Clc1csc(n1)c2ccco2 WXVL_LR1009BT1995 [0,0,0,1,0,1|2,0,0]=4 355 B12R2.6 Clc1ncc(s1)c2ccco2 WXVL_LR1248BT1995 [0,0,0,1,0,1|1,1,0]=4 356 B12R2.6 Cn1cc(cn1)c2ccco2 WXVL_LR0394BT1995 [0,0,0,1,0,1|2,0,0]=4 357 B12R2.6 Cn1cnc(n1)c2ccco2 WXVL_LR0383BT1995 [0,0,0,1,0,1|2,0,0]=4 358 B12R2.6 Fc1cnc(s1)c2ccco2 WXVL_LR1252BT1995 [0,0,0,1,0,1|1,1,0]=4 359 B12R2.252 NC(=O)c1cc2ccoc2s1 WXVL_AK0084SC00089 [0,1,0,1,0,0|2,0,0]=4 360 B12R2.252 NC(=O)c1cc2ccoc2s1 WXVL_AK0084SC00089 [0,1,0,1,0,0|2,0,0]=4 361 B12R2.252 NC(=O)c1cc2sccc2[nH]1 WXVL_AK0084SE0543 [0,1,0,1,0,0|1,1,0]=4 362 B12R2.252 NC(=O)c1cc2sccc2[nH]1 WXVL_AK0084SE0543 [0,1,0,1,0,0|1,1,0]=4 363 B12R2.252 NC(=O)c1cc2sccc2s1 WXVL_AK0084SE0308 [0,1,0,1,0,0|1,1,0]=4 364 B12R2.252 NC(=O)c1cc2sccc2s1 WXVL_AK0084SE0308 [0,1,0,1,0,0|1,1,0]=4 365 B8R1.7 NC(=O)c1ccco1 WXVL_AK0084SC0049 [0,0,0,0,2,0|1,0,0]=3 366 B8R1.7 NC(=O)c1ccco1 WXVL_AK0084SC0049 [0,0,0,0,2,0|1,0,0]=3 367 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [0,0,0,0,2,0|1,1,0]=4 368 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [0,0,0,0,2,0|1,1,0]=4 369 B8R1.7 NC(=O)c1ccno1 WXVL_AK0084SC0080 [0,0,0,0,2,0|2,0,0]=4 370 B8R1.7 NC(=O)c1ccno1 WXVL_AK0084SC0080 [0,0,0,0,2,0|2,0,0]=4 371 B8R1.7 NC(=O)c1cnco1 WXVL_AK0084SC0018 [0,0,0,0,2,0|2,0,0]=4 372 B8R1.7 NC(=O)c1cnco1 WXVL_AK0084SC0018 [0,0,0,0,2,0|2,0,0]=4