0 B12R2.252 NC(=O)c1cc2ccoc2s1 WXVL_AK0084SC00089 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.252 NC(=O)c1cc2ccoc2s1 WXVL_AK0084SC00089 [0,0,0,0,0,0|2,1,0]=3 2 B12R2.252 NC(=O)c1cc2ncsc2[nH]1 WXVL_AK0084SC00092 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.252 NC(=O)c1cc2ncsc2[nH]1 WXVL_AK0084SC00092 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.252 NC(=O)c1cc2sccc2[nH]1 WXVL_AK0084SE0543 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.252 NC(=O)c1cc2sccc2[nH]1 WXVL_AK0084SE0543 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.252 NC(=O)c1cc2sccc2s1 WXVL_AK0084SE0308 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.252 NC(=O)c1cc2sccc2s1 WXVL_AK0084SE0308 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.252 NC(=O)c1cc2sccn2c1 WXVL_AK0084SC00088 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.252 NC(=O)c1cc2sccn2c1 WXVL_AK0084SC00088 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.400 Cc1cc2[nH]c(cc2s1)C(=O)N WXVL_AK0084SE0793 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.400 Cc1cc2[nH]c(cc2s1)C(=O)N WXVL_AK0084SE0793 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.531 CNC(=O)c1cc2ccoc2s1 WXVL_AK00442SC00089 [0,1,0,0,0,0|2,1,0]=4 13 B13R2.531 CNC(=O)c1cc2ccoc2s1 WXVL_AK00442SC00089 [0,1,0,0,0,0|2,1,0]=4 14 B13R2.531 CNC(=O)c1cc2ncsc2[nH]1 WXVL_AK00442SC00092 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.531 CNC(=O)c1cc2ncsc2[nH]1 WXVL_AK00442SC00092 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.531 CNC(=O)c1cc2sccc2[nH]1 WXVL_AK00442SE0543 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.531 CNC(=O)c1cc2sccc2[nH]1 WXVL_AK00442SE0543 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.531 CNC(=O)c1cc2sccc2s1 WXVL_AK00442SE0308 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.531 CNC(=O)c1cc2sccc2s1 WXVL_AK00442SE0308 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.531 CNC(=O)c1cc2sccn2c1 WXVL_AK00442SC00088 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.531 CNC(=O)c1cc2sccn2c1 WXVL_AK00442SC00088 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.35 CC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0051 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.35 CC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0051 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.35 CC(=O)C(=O)Nc1ccsc1 WXVL_AF00105SB0051 [0,0,1,0,0,0|3,0,0]=4 25 B11R1.35 CC(=O)C(=O)Nc1ccsc1 WXVL_AF00105SB0051 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.35 CC(=O)C(=O)Nc1cncs1 WXVL_AF0724SB0051 [0,0,1,0,0,0|3,0,0]=4 27 B11R1.35 CC(=O)C(=O)Nc1cncs1 WXVL_AF0724SB0051 [0,0,1,0,0,0|3,0,0]=4 28 B11R1.35 CC(=O)C(=O)Nc1nccs1 WXVL_AF0003SB0051 [0,0,1,0,0,0|3,0,0]=4 29 B11R1.35 CC(=O)C(=O)Nc1nccs1 WXVL_AF0003SB0051 [0,0,1,0,0,0|3,0,0]=4 30 B11R1.35 NC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0128 [0,0,1,0,0,0|3,0,0]=4 31 B11R1.35 NC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0128 [0,0,1,0,0,0|3,0,0]=4 32 B11R1.35 NC(=O)C(=O)Nc1ccsc1 WXVL_AF00105SB0128 [0,0,1,0,0,0|3,0,0]=4 33 B11R1.35 NC(=O)C(=O)Nc1ccsc1 WXVL_AF00105SB0128 [0,0,1,0,0,0|3,0,0]=4 34 B11R1.35 NC(=O)C(=O)Nc1cncs1 WXVL_AF0724SB0128 [0,0,1,0,0,0|3,0,0]=4 35 B11R1.35 NC(=O)C(=O)Nc1cncs1 WXVL_AF0724SB0128 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.35 NC(=O)C(=O)Nc1nccs1 WXVL_AF0003SB0128 [0,0,1,0,0,0|3,0,0]=4 37 B11R1.35 NC(=O)C(=O)Nc1nccs1 WXVL_AF0003SB0128 [0,0,1,0,0,0|3,0,0]=4 38 B13R2.430 NC(=O)c1cc2ccoc2cn1 WXVL_AK0084SE0673 [0,0,0,0,0,1|1,1,1]=4 39 B13R2.430 NC(=O)c1cc2ccoc2cn1 WXVL_AK0084SE0673 [0,0,0,0,0,1|1,1,1]=4 40 B13R2.430 NC(=O)c1ccc2[nH]ccc2c1 WXVL_AK0084SE0014 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.430 NC(=O)c1ccc2[nH]ccc2c1 WXVL_AK0084SE0014 [0,0,0,0,0,1|3,0,0]=4 42 B13R2.430 NC(=O)c1ccc2cc[nH]c2c1 WXVL_AK0084SE0025 [0,0,0,0,0,1|3,0,0]=4 43 B13R2.430 NC(=O)c1ccc2cc[nH]c2c1 WXVL_AK0084SE0025 [0,0,0,0,0,1|3,0,0]=4 44 B13R2.430 NC(=O)c1ccc2ccoc2c1 WXVL_AK0084SE0817 [0,0,0,0,0,1|2,1,0]=4 45 B13R2.430 NC(=O)c1ccc2ccoc2c1 WXVL_AK0084SE0817 [0,0,0,0,0,1|2,1,0]=4 46 B13R2.430 NC(=O)c1ccc2ncsc2c1 WXVL_AK0084SE0431 [0,0,0,0,0,1|3,0,0]=4 47 B13R2.430 NC(=O)c1ccc2ncsc2c1 WXVL_AK0084SE0431 [0,0,0,0,0,1|3,0,0]=4 48 B13R2.430 NC(=O)c1ccc2occc2c1 WXVL_AK0084SE0143 [0,0,0,0,0,1|2,1,0]=4 49 B13R2.430 NC(=O)c1ccc2occc2c1 WXVL_AK0084SE0143 [0,0,0,0,0,1|2,1,0]=4 50 B13R2.430 NC(=O)c1ccc2sccc2c1 WXVL_AK0084SE1663 [0,0,0,0,0,1|2,0,0]=3 51 B13R2.430 NC(=O)c1ccc2sccc2c1 WXVL_AK0084SE1663 [0,0,0,0,0,1|2,0,0]=3 52 B13R2.430 NC(=O)c1ccc2scnc2c1 WXVL_AK0084SE0486 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.430 NC(=O)c1ccc2scnc2c1 WXVL_AK0084SE0486 [0,0,0,0,0,1|3,0,0]=4 54 B13R2.430 NC(=O)c1cnc2[nH]ccc2c1 WXVL_AK0084SE1754 [0,0,0,0,0,1|2,0,1]=4 55 B13R2.430 NC(=O)c1cnc2[nH]ccc2c1 WXVL_AK0084SE1754 [0,0,0,0,0,1|2,0,1]=4 56 B13R2.430 NC(=O)c1cnc2ccoc2c1 WXVL_AK0084SE1897 [0,0,0,0,0,1|2,1,0]=4 57 B13R2.430 NC(=O)c1cnc2ccoc2c1 WXVL_AK0084SE1897 [0,0,0,0,0,1|2,1,0]=4 58 B13R2.435 NC(=O)c1cc2ccccc2[nH]1 WXVL_AK0084SE0001 [0,0,0,0,0,1|2,0,0]=3 59 B13R2.435 NC(=O)c1cc2ccccc2[nH]1 WXVL_AK0084SE0001 [0,0,0,0,0,1|2,0,0]=3 60 B13R2.435 NC(=O)c1cc2ccccc2o1 WXVL_AK0084SE0105 [0,0,0,0,0,1|3,0,0]=4 61 B13R2.435 NC(=O)c1cc2ccccc2o1 WXVL_AK0084SE0105 [0,0,0,0,0,1|3,0,0]=4 62 B13R2.435 NC(=O)c1cc2ccccc2s1 WXVL_AK0084SE0107 [0,0,0,0,0,1|3,0,0]=4 63 B13R2.435 NC(=O)c1cc2ccccc2s1 WXVL_AK0084SE0107 [0,0,0,0,0,1|3,0,0]=4 64 B13R2.435 NC(=O)c1cc2cccnc2[nH]1 WXVL_AK0084SE0450 [0,0,0,0,0,1|2,0,0]=3 65 B13R2.435 NC(=O)c1cc2cccnc2[nH]1 WXVL_AK0084SE0450 [0,0,0,0,0,1|2,0,0]=3 66 B13R2.435 NC(=O)c1cc2cccnc2s1 WXVL_AK0084SE0061 [0,0,0,0,0,1|3,0,0]=4 67 B13R2.435 NC(=O)c1cc2cccnc2s1 WXVL_AK0084SE0061 [0,0,0,0,0,1|3,0,0]=4 68 B13R2.435 NC(=O)c1cc2cnccc2[nH]1 WXVL_AK0084SE0511 [0,0,0,0,0,1|2,0,0]=3 69 B13R2.435 NC(=O)c1cc2cnccc2[nH]1 WXVL_AK0084SE0511 [0,0,0,0,0,1|2,0,0]=3 70 B13R2.435 NC(=O)c1cc2ncccc2[nH]1 WXVL_AK0084SE0680 [0,0,0,0,0,1|2,0,0]=3 71 B13R2.435 NC(=O)c1cc2ncccc2[nH]1 WXVL_AK0084SE0680 [0,0,0,0,0,1|2,0,0]=3 72 B13R2.435 NC(=O)c1nc2ccccc2[nH]1 WXVL_AK0084SE0026 [0,0,0,0,0,1|3,0,0]=4 73 B13R2.435 NC(=O)c1nc2ccccc2[nH]1 WXVL_AK0084SE0026 [0,0,0,0,0,1|3,0,0]=4 74 B13R2.543 CC(=O)Nc1nc2sccc2s1 WXVL_AF00158SB0150 [0,0,0,0,0,1|2,0,1]=4 75 B13R2.543 CC(=O)Nc1nc2sccc2s1 WXVL_AF00158SB0150 [0,0,0,0,0,1|2,0,1]=4 76 B10R1.66 NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [1,0,1,0,0,0|2,0,0]=4 77 B10R1.66 NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [1,0,1,0,0,0|2,0,0]=4 78 B10R1.66 NC(=O)/C=C/c1ccoc1 WXVL_AK0084SA0047 [1,0,1,0,0,0|1,1,0]=4 79 B10R1.66 NC(=O)/C=C/c1ccoc1 WXVL_AK0084SA0047 [1,0,1,0,0,0|1,1,0]=4 80 B10R1.66 NC(=O)/C=C/c1ccsc1 WXVL_AK0084SA0251 [1,0,1,0,0,0|1,0,0]=3 81 B10R1.66 NC(=O)/C=C/c1ccsc1 WXVL_AK0084SA0251 [1,0,1,0,0,0|1,0,0]=3 82 B14R2.966 CNC(=O)c1ccc2sccc2c1 WXVL_AK00442SE1663 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.966 CNC(=O)c1ccc2sccc2c1 WXVL_AK00442SE1663 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.5998 NC(=O)c1ccc2sccc2c1O WXVL_AK0084SE0992 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.5998 NC(=O)c1ccc2sccc2c1O WXVL_AK0084SE0992 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.450 Cn1c(cc2c1cccc2)C(=O)N WXVL_AK0084SE0003 [0,1,0,0,0,1|2,0,0]=4 87 B14R2.450 Cn1c(cc2c1cccc2)C(=O)N WXVL_AK0084SE0003 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.972 CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00442SE0001 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.972 CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00442SE0001 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.972 CNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00442SE0450 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.972 CNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00442SE0450 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.972 CNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00442SE0511 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.972 CNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00442SE0511 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.972 CNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00442SE0680 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.972 CNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00442SE0680 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.4529 Cc1ccc2[nH]c(cc2c1)C(=O)N WXVL_AK0084SE0057 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.4529 Cc1ccc2[nH]c(cc2c1)C(=O)N WXVL_AK0084SE0057 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.4529 Cc1ccc2cc([nH]c2c1)C(=O)N WXVL_AK0084SE0320 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.4529 Cc1ccc2cc([nH]c2c1)C(=O)N WXVL_AK0084SE0320 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)Cl WXVL_AK0084SE0144 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)Cl WXVL_AK0084SE0144 [0,1,0,0,0,1|2,0,0]=4 102 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)F WXVL_AK0084SE0226 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)F WXVL_AK0084SE0226 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.4529 NC(=O)c1cc2ccc(nc2[nH]1)Cl WXVL_AK0084SE0468 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.4529 NC(=O)c1cc2ccc(nc2[nH]1)Cl WXVL_AK0084SE0468 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.7969 Cc1cccc2c1[nH]c(c2)C(=O)N WXVL_AK0084SE0305 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.7969 Cc1cccc2c1[nH]c(c2)C(=O)N WXVL_AK0084SE0305 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.7969 Cc1cccc2c1cc([nH]2)C(=O)N WXVL_AK0084SE0365 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.7969 Cc1cccc2c1cc([nH]2)C(=O)N WXVL_AK0084SE0365 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.7969 NC(=O)c1cc2cccc(c2[nH]1)Br WXVL_AK0084SE0477 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.7969 NC(=O)c1cc2cccc(c2[nH]1)Br WXVL_AK0084SE0477 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.7969 NC(=O)c1cc2cccc(c2[nH]1)Cl WXVL_AK0084SE0220 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.7969 NC(=O)c1cc2cccc(c2[nH]1)Cl WXVL_AK0084SE0220 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.7969 NC(=O)c1cc2cccc(c2[nH]1)O WXVL_AK0084SE1054 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.7969 NC(=O)c1cc2cccc(c2[nH]1)O WXVL_AK0084SE1054 [0,1,0,0,0,1|2,0,0]=4 116 B14R2.2844 O=C(CO)Nc1nc2sccc2s1 WXVL_AF00158SB2706 [0,1,0,0,0,1|1,0,1]=4 117 B14R2.2844 O=C(CO)Nc1nc2sccc2s1 WXVL_AF00158SB2706 [0,1,0,0,0,1|1,0,1]=4 118 B14R2.839 CCNC(=O)c1cc2ncsc2[nH]1 WXVL_AK00476SC00092 [0,2,0,0,0,0|2,0,0]=4 119 B14R2.839 CCNC(=O)c1cc2ncsc2[nH]1 WXVL_AK00476SC00092 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.264 CC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB0051 [0,0,1,0,0,1|2,0,0]=4 121 B12R1.264 CC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB0051 [0,0,1,0,0,1|2,0,0]=4 122 B12R1.264 NC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB0128 [0,0,1,0,0,1|2,0,0]=4 123 B12R1.264 NC(=O)C(=O)NCc1cccs1 WXVL_AK0014SB0128 [0,0,1,0,0,1|2,0,0]=4 124 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 WXVL_AG2330SB0150 [0,0,0,0,0,2|2,0,0]=4 125 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 WXVL_AG2330SB0150 [0,0,0,0,0,2|2,0,0]=4 126 B14R2.1008 CC(=O)Nc1cnc2sccc2c1 WXVL_AF4426SB0150 [0,0,0,0,0,2|1,0,1]=4 127 B14R2.1008 CC(=O)Nc1cnc2sccc2c1 WXVL_AF4426SB0150 [0,0,0,0,0,2|1,0,1]=4 128 B14R2.768 CC(=O)Nc1cc2ccccc2[nH]1 WXVL_AF00292SB0150 [0,0,0,0,0,2|2,0,0]=4 129 B14R2.768 CC(=O)Nc1cc2ccccc2[nH]1 WXVL_AF00292SB0150 [0,0,0,0,0,2|2,0,0]=4