0 B12R2.252 NC(=O)c1cc2ncsc2[nH]1 WXVL_AK0084SC00092 [0,1,0,0,0,0|2,0,0]=3 1 B12R2.252 NC(=O)c1cc2ncsc2[nH]1 WXVL_AK0084SC00092 [0,1,0,0,0,0|2,0,0]=3 2 B12R2.252 NC(=O)c1cc2sccc2[nH]1 WXVL_AK0084SE0543 [0,1,0,0,0,0|2,0,0]=3 3 B12R2.252 NC(=O)c1cc2sccc2[nH]1 WXVL_AK0084SE0543 [0,1,0,0,0,0|2,0,0]=3 4 B12R2.252 NC(=O)c1cc2sccc2s1 WXVL_AK0084SE0308 [0,1,0,0,0,0|3,0,0]=4 5 B12R2.252 NC(=O)c1cc2sccc2s1 WXVL_AK0084SE0308 [0,1,0,0,0,0|3,0,0]=4 6 B12R2.252 NC(=O)c1cc2sccn2c1 WXVL_AK0084SC00088 [0,1,0,0,0,0|3,0,0]=4 7 B12R2.252 NC(=O)c1cc2sccn2c1 WXVL_AK0084SC00088 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.27 C#CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0338 [0,0,1,0,0,0|2,0,1]=4 9 B10R1.27 C#CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0338 [0,0,1,0,0,0|2,0,1]=4 10 B10R1.27 CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0064 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.27 CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0064 [0,0,1,0,0,0|2,0,1]=4 12 B10R1.27 O=C(CO)Nc1ccn[nH]1 WXVL_AF0122SB2706 [0,0,1,0,0,0|1,0,2]=4 13 B10R1.27 O=C(CO)Nc1ccn[nH]1 WXVL_AF0122SB2706 [0,0,1,0,0,0|1,0,2]=4 14 B12R2.44 CNc1ccn2nccc2n1 WXVL_AK00442LP3345 [0,0,0,0,0,1|2,0,1]=4 15 B12R2.44 CNc1ccn2nccc2n1 WXVL_AK00442LP3345 [0,0,0,0,0,1|2,0,1]=4 16 B9R1.13 CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0150 [1,0,1,0,0,0|0,0,1]=3 17 B9R1.13 CC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0150 [1,0,1,0,0,0|0,0,1]=3 18 B9R1.13 CC(=O)Nc1ccno1 WXVL_AF0588SB0150 [1,0,1,0,0,0|1,0,1]=4 19 B9R1.13 CC(=O)Nc1ccno1 WXVL_AF0588SB0150 [1,0,1,0,0,0|1,0,1]=4 20 B9R1.13 CC(=O)Nc1ccns1 WXVL_AF00325SB0150 [1,0,1,0,0,0|1,0,1]=4 21 B9R1.13 CC(=O)Nc1ccns1 WXVL_AF00325SB0150 [1,0,1,0,0,0|1,0,1]=4 22 B9R1.13 NC(=O)Cc1ccn[nH]1 WXVL_AK0084SA00008 [1,0,1,0,0,0|2,0,0]=4 23 B9R1.13 NC(=O)Cc1ccn[nH]1 WXVL_AK0084SA00008 [1,0,1,0,0,0|2,0,0]=4 24 B9R1.13 NC(=O)Cn1cccn1 WXVL_AK0084SA0030 [1,0,1,0,0,0|0,0,1]=3 25 B9R1.13 NC(=O)Cn1cccn1 WXVL_AK0084SA0030 [1,0,1,0,0,0|0,0,1]=3 26 B9R1.13 NC(=O)Cn1ccnn1 WXVL_AK0084SA0035 [1,0,1,0,0,0|1,0,1]=4 27 B9R1.13 NC(=O)Cn1ccnn1 WXVL_AK0084SA0035 [1,0,1,0,0,0|1,0,1]=4 28 B9R1.13 NC(=O)Cn1nccn1 WXVL_AK0084SA0036 [1,0,1,0,0,0|1,0,1]=4 29 B9R1.13 NC(=O)Cn1nccn1 WXVL_AK0084SA0036 [1,0,1,0,0,0|1,0,1]=4 30 B11R1.30 C/C=C/C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0340 [0,1,1,0,0,0|2,0,0]=4 31 B11R1.30 C/C=C/C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0340 [0,1,1,0,0,0|2,0,0]=4 32 B11R1.30 C=CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB2732 [0,1,1,0,0,0|2,0,0]=4 33 B11R1.30 C=CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB2732 [0,1,1,0,0,0|2,0,0]=4 34 B11R1.35 C=C(F)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB1376 [0,1,1,0,0,0|2,0,0]=4 35 B11R1.35 C=C(F)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB1376 [0,1,1,0,0,0|2,0,0]=4 36 B11R1.35 CC(=O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0051 [0,1,1,0,0,0|1,0,0]=3 37 B11R1.35 CC(=O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0051 [0,1,1,0,0,0|1,0,0]=3 38 B11R1.35 CC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0051 [0,1,1,0,0,0|2,0,0]=4 39 B11R1.35 CC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0051 [0,1,1,0,0,0|2,0,0]=4 40 B11R1.35 CC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0051 [0,1,1,0,0,0|2,0,0]=4 41 B11R1.35 CC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0051 [0,1,1,0,0,0|2,0,0]=4 42 B11R1.35 NC(=O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0128 [0,1,1,0,0,0|1,0,0]=3 43 B11R1.35 NC(=O)C(=O)Nc1ccn[nH]1 WXVL_AF0122SB0128 [0,1,1,0,0,0|1,0,0]=3 44 B11R1.35 NC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0128 [0,1,1,0,0,0|2,0,0]=4 45 B11R1.35 NC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0128 [0,1,1,0,0,0|2,0,0]=4 46 B11R1.35 NC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0128 [0,1,1,0,0,0|2,0,0]=4 47 B11R1.35 NC(=O)C(=O)Nc1ccns1 WXVL_AF00325SB0128 [0,1,1,0,0,0|2,0,0]=4 48 B13R2.435 NC(=O)c1cc2ccccc2[nH]1 WXVL_AK0084SE0001 [0,1,0,0,0,1|2,0,0]=4 49 B13R2.435 NC(=O)c1cc2ccccc2[nH]1 WXVL_AK0084SE0001 [0,1,0,0,0,1|2,0,0]=4 50 B13R2.435 NC(=O)c1cc2cccnc2[nH]1 WXVL_AK0084SE0450 [0,1,0,0,0,1|2,0,0]=4 51 B13R2.435 NC(=O)c1cc2cccnc2[nH]1 WXVL_AK0084SE0450 [0,1,0,0,0,1|2,0,0]=4 52 B13R2.435 NC(=O)c1cc2cccnn2c1 WXVL_AK0084SE0985 [0,1,0,0,0,1|1,0,0]=3 53 B13R2.435 NC(=O)c1cc2cccnn2c1 WXVL_AK0084SE0985 [0,1,0,0,0,1|1,0,0]=3 54 B13R2.435 NC(=O)c1cc2cccnn2n1 WXVL_AK0084SC00097 [0,1,0,0,0,1|2,0,0]=4 55 B13R2.435 NC(=O)c1cc2cccnn2n1 WXVL_AK0084SC00097 [0,1,0,0,0,1|2,0,0]=4 56 B13R2.435 NC(=O)c1cc2cnccc2[nH]1 WXVL_AK0084SE0511 [0,1,0,0,0,1|1,0,0]=3 57 B13R2.435 NC(=O)c1cc2cnccc2[nH]1 WXVL_AK0084SE0511 [0,1,0,0,0,1|1,0,0]=3 58 B13R2.435 NC(=O)c1cc2ncccc2[nH]1 WXVL_AK0084SE0680 [0,1,0,0,0,1|1,0,0]=3 59 B13R2.435 NC(=O)c1cc2ncccc2[nH]1 WXVL_AK0084SE0680 [0,1,0,0,0,1|1,0,0]=3 60 B13R2.435 NC(=O)c1cn2cccnc2n1 WXVL_AK0084SE0332 [0,1,0,0,0,1|1,0,1]=4 61 B13R2.435 NC(=O)c1cn2cccnc2n1 WXVL_AK0084SE0332 [0,1,0,0,0,1|1,0,1]=4 62 B13R2.435 NC(=O)c1cn2ncccc2n1 WXVL_AK0084SE0145 [0,1,0,0,0,1|0,0,1]=3 63 B13R2.435 NC(=O)c1cn2ncccc2n1 WXVL_AK0084SE0145 [0,1,0,0,0,1|0,0,1]=3 64 B13R2.430 NC(=O)c1cc2cccn2cn1 WXVL_AK0084SE0171 [0,1,0,0,0,1|2,0,0]=4 65 B13R2.430 NC(=O)c1cc2cccn2cn1 WXVL_AK0084SE0171 [0,1,0,0,0,1|2,0,0]=4 66 B13R2.430 NC(=O)c1ccc2ccnn2c1 WXVL_AK0084SE0993 [0,1,0,0,0,1|1,0,0]=3 67 B13R2.430 NC(=O)c1ccc2ccnn2c1 WXVL_AK0084SE0993 [0,1,0,0,0,1|1,0,0]=3 68 B13R2.430 NC(=O)c1ccc2ncnn2c1 WXVL_AK0084SE0626 [0,1,0,0,0,1|2,0,0]=4 69 B13R2.430 NC(=O)c1ccc2ncnn2c1 WXVL_AK0084SE0626 [0,1,0,0,0,1|2,0,0]=4 70 B13R2.430 NC(=O)c1ccn2nccc2c1 WXVL_AK0084SE0625 [0,1,0,0,0,1|1,0,0]=3 71 B13R2.430 NC(=O)c1ccn2nccc2c1 WXVL_AK0084SE0625 [0,1,0,0,0,1|1,0,0]=3 72 B13R2.531 CNC(=O)c1cc2ncsc2[nH]1 WXVL_AK00442SC00092 [0,2,0,0,0,0|2,0,0]=4 73 B13R2.531 CNC(=O)c1cc2ncsc2[nH]1 WXVL_AK00442SC00092 [0,2,0,0,0,0|2,0,0]=4 74 B13R2.531 CNC(=O)c1cc2sccc2[nH]1 WXVL_AK00442SE0543 [0,2,0,0,0,0|2,0,0]=4 75 B13R2.531 CNC(=O)c1cc2sccc2[nH]1 WXVL_AK00442SE0543 [0,2,0,0,0,0|2,0,0]=4 76 B13R2.400 Cc1cc2[nH]c(cc2s1)C(=O)N WXVL_AK0084SE0793 [0,2,0,0,0,0|2,0,0]=4 77 B13R2.400 Cc1cc2[nH]c(cc2s1)C(=O)N WXVL_AK0084SE0793 [0,2,0,0,0,0|2,0,0]=4