0 B14R2.322 c1c[nH]c(n1)CNCc2cnco2 207a_100020634212_100000743867 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.322 c1c[nH]c(n1)CNCc2cnco2 270004a_100000754540_100000064291 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.322 c1c[nH]c(n1)CNCc2ncco2 207a_100016994969_100000743867 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.322 c1c[nH]c(n1)CNCc2ncco2 2230a_100016994969_100016991755 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.322 c1c[nH]c(n1)CNCc2ncco2 270004a_100000754540_100000064290 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.322 c1c[nH]c(n1)COCc2ncco2 34a_100000062594_100016991755 [0,0,0,0,0,0|3,1,0]=4 6 B14R2.322 c1c[nH]c(n1)CSCc2c[nH]cn2 62a_100000707719_100016991755 [0,0,0,0,0,0|4,0,0]=4 7 B14R2.322 c1c[nH]c(n1)CSCc2c[nH]cn2 62a_100016991755_100000707719 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.322 c1c[nH]c(n1)CSCc2ccon2 62a_100000234950_100016991755 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.322 c1c[nH]c(n1)CSCc2ccon2 62a_100016991755_100000234950 [0,0,0,0,0,0|4,0,0]=4 10 B14R2.322 c1c[nH]c(n1)CSCc2ccsc2 62a_100011261437_100016991755 [0,0,0,0,0,0|4,0,0]=4 11 B14R2.322 c1c[nH]c(n1)CSCc2ccsc2 62a_100016991755_100011233845 [0,0,0,0,0,0|4,0,0]=4 12 B14R2.322 c1c[nH]c(n1)CSCc2cncs2 62a_100015185245_100016991755 [0,0,0,0,0,0|3,1,0]=4 13 B14R2.322 c1c[nH]c(n1)CSCc2cncs2 62a_100016991755_100015185245 [0,0,0,0,0,0|3,1,0]=4 14 B14R2.322 c1c[nH]c(n1)CSCc2cscn2 62a_100000205941_100016991755 [0,0,0,0,0,0|4,0,0]=4 15 B14R2.322 c1c[nH]c(n1)CSCc2cscn2 62a_100016991755_100000205941 [0,0,0,0,0,0|4,0,0]=4 16 B14R2.322 c1c[nH]c(n1)CSCc2ncc[nH]2 62a_100016991755_100016991755 [0,0,0,0,0,0|4,0,0]=4 17 B14R2.322 c1c[nH]c(n1)CSCc2ncco2 62a_100016991755_103436540062 [0,0,0,0,0,0|3,0,0]=3 18 B14R2.322 c1c[nH]c(n1)CSCc2ncco2 62a_103436540062_100016991755 [0,0,0,0,0,0|3,0,0]=3 19 B14R2.322 c1c[nH]c(n1)CSCc2nccs2 62a_100015184050_100016991755 [0,0,0,0,0,0|3,1,0]=4 20 B14R2.322 c1c[nH]c(n1)CSCc2nccs2 62a_100016991755_100015184050 [0,0,0,0,0,0|3,1,0]=4 21 B14R2.322 c1cc([nH]n1)CNCc2ncco2 2230a_100016994969_100000728653 [0,0,0,0,0,0|4,0,0]=4 22 B14R2.322 c1cc([nH]n1)COCc2ccno2 34a_100000740478_100000728653 [0,0,0,0,0,0|3,1,0]=4 23 B14R2.322 c1cc([nH]n1)COCc2ncco2 34a_100000062594_100000728653 [0,0,0,0,0,0|3,1,0]=4 24 B14R2.322 c1cc([nH]n1)CSCc2c[nH]cn2 62a_100000707719_100000728653 [0,0,0,0,0,0|4,0,0]=4 25 B14R2.322 c1cc([nH]n1)CSCc2c[nH]cn2 62a_100000728653_100000707719 [0,0,0,0,0,0|4,0,0]=4 26 B14R2.322 c1cc([nH]n1)CSCc2ccn[nH]2 62a_100000728653_100000728653 [0,0,0,0,0,0|4,0,0]=4 27 B14R2.322 c1cc([nH]n1)CSCc2ccon2 62a_100000234950_100000728653 [0,0,0,0,0,0|4,0,0]=4 28 B14R2.322 c1cc([nH]n1)CSCc2ccon2 62a_100000728653_100000234950 [0,0,0,0,0,0|4,0,0]=4 29 B14R2.322 c1cc([nH]n1)CSCc2ccsc2 62a_100000728653_100011233845 [0,0,0,0,0,0|4,0,0]=4 30 B14R2.322 c1cc([nH]n1)CSCc2ccsc2 62a_100011261437_100000728653 [0,0,0,0,0,0|4,0,0]=4 31 B14R2.322 c1cc([nH]n1)CSCc2cncs2 62a_100000728653_100015185245 [0,0,0,0,0,0|3,1,0]=4 32 B14R2.322 c1cc([nH]n1)CSCc2cncs2 62a_100015185245_100000728653 [0,0,0,0,0,0|3,1,0]=4 33 B14R2.322 c1cc([nH]n1)CSCc2cscn2 62a_100000205941_100000728653 [0,0,0,0,0,0|4,0,0]=4 34 B14R2.322 c1cc([nH]n1)CSCc2cscn2 62a_100000728653_100000205941 [0,0,0,0,0,0|4,0,0]=4 35 B14R2.322 c1cc([nH]n1)CSCc2ncc[nH]2 62a_100000728653_100016991755 [0,0,0,0,0,0|4,0,0]=4 36 B14R2.322 c1cc([nH]n1)CSCc2ncc[nH]2 62a_100016991755_100000728653 [0,0,0,0,0,0|4,0,0]=4 37 B14R2.322 c1cc([nH]n1)CSCc2ncco2 62a_100000728653_103436540062 [0,0,0,0,0,0|3,0,0]=3 38 B14R2.322 c1cc([nH]n1)CSCc2ncco2 62a_103436540062_100000728653 [0,0,0,0,0,0|3,0,0]=3 39 B14R2.322 c1cc([nH]n1)CSCc2nccs2 62a_100000728653_100015184050 [0,0,0,0,0,0|3,1,0]=4 40 B14R2.322 c1cc([nH]n1)CSCc2nccs2 62a_100015184050_100000728653 [0,0,0,0,0,0|3,1,0]=4 41 B14R2.322 c1cc(co1)CNCc2cnco2 207a_100020634212_100011215517 [0,0,0,0,0,0|4,0,0]=4 42 B14R2.322 c1cc(co1)CNCc2cnco2 270004a_100015206860_100000064291 [0,0,0,0,0,0|4,0,0]=4 43 B14R2.322 c1cc(co1)CNCc2cnco2 270004a_100020634212_100011215517 [0,0,0,0,0,0|4,0,0]=4 44 B14R2.322 c1cc(cs1)CSCc2ccsc2 62a_100011261437_100011233845 [0,0,0,0,0,0|4,0,0]=4 45 B14R2.322 c1cc(cs1)CSCc2cncs2 62a_100011261437_100015185245 [0,0,0,0,0,0|3,1,0]=4 46 B14R2.322 c1cc(cs1)CSCc2cncs2 62a_100015185245_100011233845 [0,0,0,0,0,0|3,1,0]=4 47 B14R2.322 c1cc(cs1)CSCc2cscn2 62a_100000205941_100011233845 [0,0,0,0,0,0|4,0,0]=4 48 B14R2.322 c1cc(cs1)CSCc2cscn2 62a_100011261437_100000205941 [0,0,0,0,0,0|4,0,0]=4 49 B14R2.322 c1cc(n[nH]1)CNCc2cnco2 207a_100020634212_100000738523 [0,0,0,0,0,0|4,0,0]=4 50 B14R2.322 c1cc(n[nH]1)CNCc2cnco2 270004a_100020634212_100000738523 [0,0,0,0,0,0|4,0,0]=4 51 B14R2.322 c1cc(no1)CNCc2cnco2 270004a_100000688301_100000064291 [0,0,0,0,0,0|4,0,0]=4 52 B14R2.322 c1cc(no1)CSCc2ccon2 62a_100000234950_100000234950 [0,0,0,0,0,0|4,0,0]=4 53 B14R2.322 c1cc(no1)CSCc2ccsc2 62a_100000234950_100011233845 [0,0,0,0,0,0|4,0,0]=4 54 B14R2.322 c1cc(no1)CSCc2ccsc2 62a_100011261437_100000234950 [0,0,0,0,0,0|4,0,0]=4 55 B14R2.322 c1cc(no1)CSCc2cncs2 62a_100000234950_100015185245 [0,0,0,0,0,0|3,1,0]=4 56 B14R2.322 c1cc(no1)CSCc2cncs2 62a_100015185245_100000234950 [0,0,0,0,0,0|3,1,0]=4 57 B14R2.322 c1cc(no1)CSCc2cscn2 62a_100000205941_100000234950 [0,0,0,0,0,0|4,0,0]=4 58 B14R2.322 c1cc(no1)CSCc2cscn2 62a_100000234950_100000205941 [0,0,0,0,0,0|4,0,0]=4 59 B14R2.322 c1cc(on1)COCc2c[nH]cn2 34a_100000740478_100000707719 [0,0,0,0,0,0|3,1,0]=4 60 B14R2.322 c1cc(on1)COCc2ccon2 34a_100000740478_100000234950 [0,0,0,0,0,0|3,1,0]=4 61 B14R2.322 c1cc(on1)COCc2ccsc2 34a_100000740478_100011261437 [0,0,0,0,0,0|3,1,0]=4 62 B14R2.322 c1cc(on1)COCc2cncs2 34a_100000740478_100015185245 [0,0,0,0,0,0|2,2,0]=4 63 B14R2.322 c1cc(on1)COCc2cscn2 34a_100000740478_100000205941 [0,0,0,0,0,0|3,1,0]=4 64 B14R2.322 c1cc(on1)COCc2ncc[nH]2 34a_100000740478_100016991755 [0,0,0,0,0,0|3,1,0]=4 65 B14R2.322 c1cc(on1)COCc2ncco2 34a_100000740478_103436540062 [0,0,0,0,0,0|2,1,0]=3 66 B14R2.322 c1cc(on1)COCc2nccs2 34a_100000740478_100015184050 [0,0,0,0,0,0|2,2,0]=4 67 B14R2.322 c1cnn(c1)COCc2ncco2 34a_100000731028_103436540062 [0,0,0,0,0,0|3,1,0]=4 68 B14R2.322 c1coc(c1)CNCc2c[nH]cn2 207a_100000758547_100000186105 [0,0,0,0,0,0|3,0,0]=3 69 B14R2.322 c1coc(c1)CNCc2c[nH]cn2 2230a_100000185738_100000707719 [0,0,0,0,0,0|3,0,0]=3 70 B14R2.322 c1coc(c1)CNCc2c[nH]cn2 34a_100000185738_100000707719 [0,0,0,0,0,0|3,0,0]=3 71 B14R2.322 c1coc(c1)CNCc2c[nH]nn2 207a_100020620823_100000186105 [0,0,0,0,0,0|4,0,0]=4 72 B14R2.322 c1coc(c1)CNCc2c[nH]nn2 270004a_100020620823_100000186105 [0,0,0,0,0,0|4,0,0]=4 73 B14R2.322 c1coc(c1)CNCc2cc[nH]n2 207a_100000185738_100000738523 [0,0,0,0,0,0|3,0,0]=3 74 B14R2.322 c1coc(c1)CNCc2cc[nH]n2 207a_100000739516_100000186105 [0,0,0,0,0,0|3,0,0]=3 75 B14R2.322 c1coc(c1)CNCc2cc[nH]n2 270004a_100000185738_100000738523 [0,0,0,0,0,0|3,0,0]=3 76 B14R2.322 c1coc(c1)CNCc2ccco2 207a_100000185738_100000186105 [0,0,0,0,0,0|1,0,0]=1 77 B14R2.322 c1coc(c1)CNCc2ccco2 270004a_100000185738_100000186105 [0,0,0,0,0,0|1,0,0]=1 78 B14R2.322 c1coc(c1)CNCc2cccs2 207a_100000185738_100000209959 [0,0,0,0,0,0|1,1,0]=2 79 B14R2.322 c1coc(c1)CNCc2cccs2 207a_100000211653_100000186105 [0,0,0,0,0,0|1,1,0]=2 80 B14R2.322 c1coc(c1)CNCc2cccs2 270004a_100000185738_100000209959 [0,0,0,0,0,0|1,1,0]=2 81 B14R2.322 c1coc(c1)CNCc2cccs2 270004a_100000211653_100000186105 [0,0,0,0,0,0|1,1,0]=2 82 B14R2.322 c1coc(c1)CNCc2ccn[nH]2 2230a_100000185738_100000728653 [0,0,0,0,0,0|3,0,0]=3 83 B14R2.322 c1coc(c1)CNCc2ccn[nH]2 34a_100000185738_100000728653 [0,0,0,0,0,0|3,0,0]=3 84 B14R2.322 c1coc(c1)CNCc2ccoc2 207a_100000185738_100011215517 [0,0,0,0,0,0|3,0,0]=3 85 B14R2.322 c1coc(c1)CNCc2ccoc2 207a_100015206860_100000186105 [0,0,0,0,0,0|3,0,0]=3 86 B14R2.322 c1coc(c1)CNCc2ccoc2 270004a_100000185738_100011215517 [0,0,0,0,0,0|3,0,0]=3 87 B14R2.322 c1coc(c1)CNCc2ccoc2 270004a_100015206860_100000186105 [0,0,0,0,0,0|3,0,0]=3 88 B14R2.322 c1coc(c1)CNCc2ccon2 207a_100000688301_100000186105 [0,0,0,0,0,0|3,0,0]=3 89 B14R2.322 c1coc(c1)CNCc2ccon2 2230a_100000185738_100000234950 [0,0,0,0,0,0|3,0,0]=3 90 B14R2.322 c1coc(c1)CNCc2ccon2 270004a_100000688301_100000186105 [0,0,0,0,0,0|3,0,0]=3 91 B14R2.322 c1coc(c1)CNCc2ccon2 34a_100000185738_100000234950 [0,0,0,0,0,0|3,0,0]=3 92 B14R2.322 c1coc(c1)CNCc2ccsc2 207a_100000185738_100000188534 [0,0,0,0,0,0|3,0,0]=3 93 B14R2.322 c1coc(c1)CNCc2ccsc2 207a_100000186416_100000186105 [0,0,0,0,0,0|3,0,0]=3 94 B14R2.322 c1coc(c1)CNCc2ccsc2 2230a_100000185738_100011261437 [0,0,0,0,0,0|3,0,0]=3 95 B14R2.322 c1coc(c1)CNCc2ccsc2 270004a_100000185738_100000188534 [0,0,0,0,0,0|3,0,0]=3 96 B14R2.322 c1coc(c1)CNCc2ccsc2 270004a_100000186416_100000186105 [0,0,0,0,0,0|3,0,0]=3 97 B14R2.322 c1coc(c1)CNCc2ccsc2 34a_100000185738_100011261437 [0,0,0,0,0,0|3,0,0]=3 98 B14R2.322 c1coc(c1)CNCc2cn[nH]c2 207a_100000185738_100016992096 [0,0,0,0,0,0|4,0,0]=4 99 B14R2.322 c1coc(c1)CNCc2cn[nH]c2 207a_100000737208_100000186105 [0,0,0,0,0,0|4,0,0]=4 100 B14R2.322 c1coc(c1)CNCc2cn[nH]c2 270004a_100000185738_100016992096 [0,0,0,0,0,0|4,0,0]=4 101 B14R2.322 c1coc(c1)CNCc2cn[nH]c2 270004a_100000737208_100000186105 [0,0,0,0,0,0|4,0,0]=4 102 B14R2.322 c1coc(c1)CNCc2cnc[nH]2 207a_100000185738_100000742939 [0,0,0,0,0,0|3,0,0]=3 103 B14R2.322 c1coc(c1)CNCc2cnco2 207a_100020634212_100000186105 [0,0,0,0,0,0|2,0,0]=2 104 B14R2.322 c1coc(c1)CNCc2cnco2 270004a_100000185738_100000064291 [0,0,0,0,0,0|2,0,0]=2 105 B14R2.322 c1coc(c1)CNCc2cnco2 270004a_100020634212_100000186105 [0,0,0,0,0,0|2,0,0]=2 106 B14R2.322 c1coc(c1)CNCc2cncs2 207a_100000185738_100000749870 [0,0,0,0,0,0|2,1,0]=3 107 B14R2.322 c1coc(c1)CNCc2cncs2 207a_100016987365_100000186105 [0,0,0,0,0,0|2,1,0]=3 108 B14R2.322 c1coc(c1)CNCc2cncs2 2230a_100000185738_100015185245 [0,0,0,0,0,0|2,1,0]=3 109 B14R2.322 c1coc(c1)CNCc2cncs2 270004a_100000185738_100000749870 [0,0,0,0,0,0|2,1,0]=3 110 B14R2.322 c1coc(c1)CNCc2cncs2 270004a_100016987365_100000186105 [0,0,0,0,0,0|2,1,0]=3 111 B14R2.322 c1coc(c1)CNCc2cncs2 34a_100000185738_100015185245 [0,0,0,0,0,0|2,1,0]=3 112 B14R2.322 c1coc(c1)CNCc2cocn2 207a_100015188801_100000186105 [0,0,0,0,0,0|3,0,0]=3 113 B14R2.322 c1coc(c1)CNCc2cocn2 270004a_100000185738_100000050382 [0,0,0,0,0,0|3,0,0]=3 114 B14R2.322 c1coc(c1)CNCc2cocn2 270004a_100015188801_100000186105 [0,0,0,0,0,0|3,0,0]=3 115 B14R2.322 c1coc(c1)CNCc2cscn2 207a_100000185738_100000743575 [0,0,0,0,0,0|3,0,0]=3 116 B14R2.322 c1coc(c1)CNCc2cscn2 207a_100015185402_100000186105 [0,0,0,0,0,0|3,0,0]=3 117 B14R2.322 c1coc(c1)CNCc2cscn2 2230a_100000185738_100000205941 [0,0,0,0,0,0|3,0,0]=3 118 B14R2.322 c1coc(c1)CNCc2cscn2 270004a_100000185738_100000743575 [0,0,0,0,0,0|3,0,0]=3 119 B14R2.322 c1coc(c1)CNCc2cscn2 34a_100000185738_100000205941 [0,0,0,0,0,0|3,0,0]=3 120 B14R2.322 c1coc(c1)CNCc2csnn2 270004a_100000185738_100000738508 [0,0,0,0,0,0|4,0,0]=4 121 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 207a_100000185738_100000743867 [0,0,0,0,0,0|3,0,0]=3 122 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 207a_100000754540_100000186105 [0,0,0,0,0,0|3,0,0]=3 123 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 2230a_100000185738_100016991755 [0,0,0,0,0,0|3,0,0]=3 124 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 270004a_100000754540_100000186105 [0,0,0,0,0,0|3,0,0]=3 125 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 34a_100000185738_100016991755 [0,0,0,0,0,0|3,0,0]=3 126 B14R2.322 c1coc(c1)CNCc2ncco2 207a_100016994969_100000186105 [0,0,0,0,0,0|2,0,0]=2 127 B14R2.322 c1coc(c1)CNCc2ncco2 2230a_100000185738_103436540062 [0,0,0,0,0,0|2,0,0]=2 128 B14R2.322 c1coc(c1)CNCc2ncco2 270004a_100000185738_100000064290 [0,0,0,0,0,0|2,0,0]=2 129 B14R2.322 c1coc(c1)CNCc2ncco2 34a_100000185738_103436540062 [0,0,0,0,0,0|2,0,0]=2 130 B14R2.322 c1coc(c1)CNCc2nccs2 207a_100000185738_100000750902 [0,0,0,0,0,0|2,1,0]=3 131 B14R2.322 c1coc(c1)CNCc2nccs2 207a_100000740555_100000186105 [0,0,0,0,0,0|2,1,0]=3 132 B14R2.322 c1coc(c1)CNCc2nccs2 2230a_100000185738_100015184050 [0,0,0,0,0,0|2,1,0]=3 133 B14R2.322 c1coc(c1)CNCc2nccs2 270004a_100000185738_100000750902 [0,0,0,0,0,0|2,1,0]=3 134 B14R2.322 c1coc(c1)CNCc2nccs2 270004a_100000740555_100000186105 [0,0,0,0,0,0|2,1,0]=3 135 B14R2.322 c1coc(c1)CNCc2nccs2 34a_100000185738_100015184050 [0,0,0,0,0,0|2,1,0]=3 136 B14R2.322 c1coc(c1)CNCc2ncon2 34a_100000185738_100000233494 [0,0,0,0,0,0|4,0,0]=4 137 B14R2.322 c1coc(c1)CNCn2cncn2 2230a_100000185738_200020645497 [0,0,0,0,0,0|4,0,0]=4 138 B14R2.322 c1coc(c1)CNCn2cncn2 34a_100000185738_200020645497 [0,0,0,0,0,0|4,0,0]=4 139 B14R2.322 c1coc(c1)COCc2c[nH]cn2 34a_100000210059_100000707719 [0,0,0,0,0,0|2,1,0]=3 140 B14R2.322 c1coc(c1)COCc2ccn[nH]2 34a_100000210059_100000728653 [0,0,0,0,0,0|2,1,0]=3 141 B14R2.322 c1coc(c1)COCc2ccon2 34a_100000210059_100000234950 [0,0,0,0,0,0|2,1,0]=3 142 B14R2.322 c1coc(c1)COCc2ccsc2 34a_100000210059_100011261437 [0,0,0,0,0,0|2,1,0]=3 143 B14R2.322 c1coc(c1)COCc2cncs2 34a_100000210059_100015185245 [0,0,0,0,0,0|1,2,0]=3 144 B14R2.322 c1coc(c1)COCc2cscn2 34a_100000210059_100000205941 [0,0,0,0,0,0|2,1,0]=3 145 B14R2.322 c1coc(c1)COCc2ncc[nH]2 34a_100000210059_100016991755 [0,0,0,0,0,0|2,1,0]=3 146 B14R2.322 c1coc(c1)COCc2ncco2 34a_100000210059_103436540062 [0,0,0,0,0,0|1,1,0]=2 147 B14R2.322 c1coc(c1)COCc2nccs2 34a_100000210059_100015184050 [0,0,0,0,0,0|1,2,0]=3 148 B14R2.322 c1coc(c1)COCc2ncon2 34a_100000210059_100000233494 [0,0,0,0,0,0|3,1,0]=4 149 B14R2.322 c1coc(c1)COCn2cncn2 34a_100000210059_200020645497 [0,0,0,0,0,0|3,1,0]=4 150 B14R2.322 c1coc(c1)SCCc2c[nH]cn2 62a_100009814098_100020628418 [0,0,0,0,0,0|4,0,0]=4 151 B14R2.322 c1coc(c1)SCCc2c[nH]cn2 62a_100020628418_100009814098 [0,0,0,0,0,0|4,0,0]=4 152 B14R2.322 c1coc(c1)SCCc2cccs2 62a_100000748579_100009814098 [0,0,0,0,0,0|2,1,0]=3 153 B14R2.322 c1coc(c1)SCCc2cccs2 62a_100009814098_100000748579 [0,0,0,0,0,0|2,1,0]=3 154 B14R2.322 c1coc(c1)SCCn2cccc2 62a_100009814098_200000035178 [0,0,0,0,0,0|4,0,0]=4 155 B14R2.322 c1coc(c1)SCCn2cccc2 62a_200009811947_100009814098 [0,0,0,0,0,0|4,0,0]=4 156 B14R2.322 c1coc(c1)SCCn2cccn2 62a_100009814098_100000685285 [0,0,0,0,0,0|4,0,0]=4 157 B14R2.322 c1coc(c1)SCCn2cccn2 62a_100015204718_100009814098 [0,0,0,0,0,0|4,0,0]=4 158 B14R2.322 c1coc(n1)CNCc2c[nH]cn2 2230a_100016994969_100000707719 [0,0,0,0,0,0|4,0,0]=4 159 B14R2.322 c1coc(n1)CNCc2cc[nH]n2 207a_100016994969_100000738523 [0,0,0,0,0,0|4,0,0]=4 160 B14R2.322 c1coc(n1)CNCc2ccoc2 207a_100016994969_100011215517 [0,0,0,0,0,0|4,0,0]=4 161 B14R2.322 c1coc(n1)CNCc2ccoc2 2230a_100015206860_103436540062 [0,0,0,0,0,0|4,0,0]=4 162 B14R2.322 c1coc(n1)CNCc2ccoc2 270004a_100015206860_100000064290 [0,0,0,0,0,0|4,0,0]=4 163 B14R2.322 c1coc(n1)CNCc2ccoc2 34a_100015206860_103436540062 [0,0,0,0,0,0|4,0,0]=4 164 B14R2.322 c1coc(n1)CNCc2ccon2 2230a_100016994969_100000234950 [0,0,0,0,0,0|4,0,0]=4 165 B14R2.322 c1coc(n1)CNCc2ccon2 270004a_100000688301_100000064290 [0,0,0,0,0,0|4,0,0]=4 166 B14R2.322 c1coc(n1)CNCc2ccsc2 207a_100016994969_100000188534 [0,0,0,0,0,0|4,0,0]=4 167 B14R2.322 c1coc(n1)CNCc2ccsc2 2230a_100000186416_103436540062 [0,0,0,0,0,0|4,0,0]=4 168 B14R2.322 c1coc(n1)CNCc2ccsc2 2230a_100016994969_100011261437 [0,0,0,0,0,0|4,0,0]=4 169 B14R2.322 c1coc(n1)CNCc2ccsc2 270004a_100000186416_100000064290 [0,0,0,0,0,0|4,0,0]=4 170 B14R2.322 c1coc(n1)CNCc2ccsc2 34a_100000186416_103436540062 [0,0,0,0,0,0|4,0,0]=4 171 B14R2.322 c1coc(n1)CNCc2cnc[nH]2 207a_100016994969_100000742939 [0,0,0,0,0,0|4,0,0]=4 172 B14R2.322 c1coc(n1)CNCc2cnco2 270004a_100020634212_100000064290 [0,0,0,0,0,0|3,0,0]=3 173 B14R2.322 c1coc(n1)CNCc2cncs2 207a_100016994969_100000749870 [0,0,0,0,0,0|3,1,0]=4 174 B14R2.322 c1coc(n1)CNCc2cncs2 2230a_100016987365_103436540062 [0,0,0,0,0,0|3,1,0]=4 175 B14R2.322 c1coc(n1)CNCc2cncs2 2230a_100016994969_100015185245 [0,0,0,0,0,0|3,1,0]=4 176 B14R2.322 c1coc(n1)CNCc2cncs2 270004a_100016987365_100000064290 [0,0,0,0,0,0|3,1,0]=4 177 B14R2.322 c1coc(n1)CNCc2cocn2 270004a_100015188801_100000064290 [0,0,0,0,0,0|4,0,0]=4 178 B14R2.322 c1coc(n1)CNCc2cscn2 207a_100016994969_100000743575 [0,0,0,0,0,0|4,0,0]=4 179 B14R2.322 c1coc(n1)CNCc2cscn2 2230a_100015185402_103436540062 [0,0,0,0,0,0|4,0,0]=4 180 B14R2.322 c1coc(n1)CNCc2cscn2 2230a_100016994969_100000205941 [0,0,0,0,0,0|4,0,0]=4 181 B14R2.322 c1coc(n1)CNCc2ncco2 2230a_100016994969_103436540062 [0,0,0,0,0,0|3,0,0]=3 182 B14R2.322 c1coc(n1)CNCc2nccs2 207a_100016994969_100000750902 [0,0,0,0,0,0|3,1,0]=4 183 B14R2.322 c1coc(n1)CNCc2nccs2 2230a_100000740555_103436540062 [0,0,0,0,0,0|3,1,0]=4 184 B14R2.322 c1coc(n1)CNCc2nccs2 2230a_100016994969_100015184050 [0,0,0,0,0,0|3,1,0]=4 185 B14R2.322 c1coc(n1)CNCc2nccs2 270004a_100000740555_100000064290 [0,0,0,0,0,0|3,1,0]=4 186 B14R2.322 c1coc(n1)COCc2c[nH]cn2 34a_100000062594_100000707719 [0,0,0,0,0,0|3,1,0]=4 187 B14R2.322 c1coc(n1)COCc2ccoc2 34a_100011215357_103436540062 [0,0,0,0,0,0|3,1,0]=4 188 B14R2.322 c1coc(n1)COCc2ccon2 34a_100000062594_100000234950 [0,0,0,0,0,0|3,1,0]=4 189 B14R2.322 c1coc(n1)COCc2ccsc2 34a_100000062594_100011261437 [0,0,0,0,0,0|3,1,0]=4 190 B14R2.322 c1coc(n1)COCc2ccsc2 34a_100011215551_103436540062 [0,0,0,0,0,0|3,1,0]=4 191 B14R2.322 c1coc(n1)COCc2cncs2 34a_100000062594_100015185245 [0,0,0,0,0,0|2,2,0]=4 192 B14R2.322 c1coc(n1)COCc2cscn2 34a_100000062594_100000205941 [0,0,0,0,0,0|3,1,0]=4 193 B14R2.322 c1coc(n1)COCc2ncco2 34a_100000062594_103436540062 [0,0,0,0,0,0|2,1,0]=3 194 B14R2.322 c1coc(n1)COCc2nccs2 34a_100000062594_100015184050 [0,0,0,0,0,0|2,2,0]=4 195 B14R2.322 c1coc(n1)CSCc2c[nH]cn2 62a_100000707719_103436540062 [0,0,0,0,0,0|3,0,0]=3 196 B14R2.322 c1coc(n1)CSCc2c[nH]cn2 62a_103436540062_100000707719 [0,0,0,0,0,0|3,0,0]=3 197 B14R2.322 c1coc(n1)CSCc2ccon2 62a_100000234950_103436540062 [0,0,0,0,0,0|3,0,0]=3 198 B14R2.322 c1coc(n1)CSCc2ccon2 62a_103436540062_100000234950 [0,0,0,0,0,0|3,0,0]=3 199 B14R2.322 c1coc(n1)CSCc2ccsc2 62a_100011261437_103436540062 [0,0,0,0,0,0|3,0,0]=3 200 B14R2.322 c1coc(n1)CSCc2ccsc2 62a_103436540062_100011233845 [0,0,0,0,0,0|3,0,0]=3 201 B14R2.322 c1coc(n1)CSCc2cncs2 62a_100015185245_103436540062 [0,0,0,0,0,0|2,1,0]=3 202 B14R2.322 c1coc(n1)CSCc2cncs2 62a_103436540062_100015185245 [0,0,0,0,0,0|2,1,0]=3 203 B14R2.322 c1coc(n1)CSCc2cscn2 62a_100000205941_103436540062 [0,0,0,0,0,0|3,0,0]=3 204 B14R2.322 c1coc(n1)CSCc2cscn2 62a_103436540062_100000205941 [0,0,0,0,0,0|3,0,0]=3 205 B14R2.322 c1coc(n1)CSCc2ncco2 62a_103436540062_103436540062 [0,0,0,0,0,0|2,0,0]=2 206 B14R2.322 c1coc(n1)CSCc2nccs2 62a_100015184050_103436540062 [0,0,0,0,0,0|2,1,0]=3 207 B14R2.322 c1coc(n1)CSCc2nccs2 62a_103436540062_100015184050 [0,0,0,0,0,0|2,1,0]=3 208 B14R2.322 c1coc(n1)CSCc2ncon2 62a_100000233494_103436540062 [0,0,0,0,0,0|4,0,0]=4 209 B14R2.322 c1coc(n1)CSCc2ncon2 62a_103436540062_100000233494 [0,0,0,0,0,0|4,0,0]=4 210 B14R2.322 c1coc(n1)CSCn2cncn2 62a_103436540062_200020645497 [0,0,0,0,0,0|4,0,0]=4 211 B14R2.322 c1coc(n1)CSCn2cncn2 62a_200020645497_103436540062 [0,0,0,0,0,0|4,0,0]=4 212 B14R2.322 c1csc(c1)CCSc2cccs2 62a_100000748579_100011215356 [0,0,0,0,0,0|2,2,0]=4 213 B14R2.322 c1csc(c1)CCSc2cccs2 62a_100011215356_100000748579 [0,0,0,0,0,0|2,2,0]=4 214 B14R2.322 c1csc(c1)CCSc2cnco2 62a_100000748579_100020591547 [0,0,0,0,0,0|3,1,0]=4 215 B14R2.322 c1csc(c1)CCSc2cnco2 62a_100020591547_100000748579 [0,0,0,0,0,0|3,1,0]=4 216 B14R2.322 c1csc(c1)CCSc2ncco2 62a_100000748579_100011787736 [0,0,0,0,0,0|3,1,0]=4 217 B14R2.322 c1csc(c1)CCSc2ncco2 62a_100011787736_100000748579 [0,0,0,0,0,0|3,1,0]=4 218 B14R2.322 c1csc(c1)CNCc2c[nH]cn2 207a_100000758547_100000209959 [0,0,0,0,0,0|3,1,0]=4 219 B14R2.322 c1csc(c1)CNCc2c[nH]cn2 2230a_100000211653_100000707719 [0,0,0,0,0,0|3,1,0]=4 220 B14R2.322 c1csc(c1)CNCc2cc[nH]n2 207a_100000211653_100000738523 [0,0,0,0,0,0|3,1,0]=4 221 B14R2.322 c1csc(c1)CNCc2cc[nH]n2 207a_100000739516_100000209959 [0,0,0,0,0,0|3,1,0]=4 222 B14R2.322 c1csc(c1)CNCc2cc[nH]n2 270004a_100000211653_100000738523 [0,0,0,0,0,0|3,1,0]=4 223 B14R2.322 c1csc(c1)CNCc2cccs2 207a_100000211653_100000209959 [0,0,0,0,0,0|1,2,0]=3 224 B14R2.322 c1csc(c1)CNCc2cccs2 270004a_100000211653_100000209959 [0,0,0,0,0,0|1,2,0]=3 225 B14R2.322 c1csc(c1)CNCc2ccn[nH]2 2230a_100000211653_100000728653 [0,0,0,0,0,0|3,1,0]=4 226 B14R2.322 c1csc(c1)CNCc2ccoc2 207a_100000211653_100011215517 [0,0,0,0,0,0|3,1,0]=4 227 B14R2.322 c1csc(c1)CNCc2ccoc2 207a_100015206860_100000209959 [0,0,0,0,0,0|3,1,0]=4 228 B14R2.322 c1csc(c1)CNCc2ccoc2 270004a_100000211653_100011215517 [0,0,0,0,0,0|3,1,0]=4 229 B14R2.322 c1csc(c1)CNCc2ccoc2 270004a_100015206860_100000209959 [0,0,0,0,0,0|3,1,0]=4 230 B14R2.322 c1csc(c1)CNCc2ccon2 207a_100000688301_100000209959 [0,0,0,0,0,0|3,1,0]=4 231 B14R2.322 c1csc(c1)CNCc2ccon2 2230a_100000211653_100000234950 [0,0,0,0,0,0|3,1,0]=4 232 B14R2.322 c1csc(c1)CNCc2ccon2 270004a_100000688301_100000209959 [0,0,0,0,0,0|3,1,0]=4 233 B14R2.322 c1csc(c1)CNCc2ccsc2 207a_100000186416_100000209959 [0,0,0,0,0,0|3,1,0]=4 234 B14R2.322 c1csc(c1)CNCc2ccsc2 207a_100000211653_100000188534 [0,0,0,0,0,0|3,1,0]=4 235 B14R2.322 c1csc(c1)CNCc2ccsc2 2230a_100000211653_100011261437 [0,0,0,0,0,0|3,1,0]=4 236 B14R2.322 c1csc(c1)CNCc2ccsc2 270004a_100000186416_100000209959 [0,0,0,0,0,0|3,1,0]=4 237 B14R2.322 c1csc(c1)CNCc2ccsc2 270004a_100000211653_100000188534 [0,0,0,0,0,0|3,1,0]=4 238 B14R2.322 c1csc(c1)CNCc2cnc[nH]2 207a_100000211653_100000742939 [0,0,0,0,0,0|3,1,0]=4 239 B14R2.322 c1csc(c1)CNCc2cnco2 207a_100020634212_100000209959 [0,0,0,0,0,0|2,1,0]=3 240 B14R2.322 c1csc(c1)CNCc2cnco2 270004a_100000211653_100000064291 [0,0,0,0,0,0|2,1,0]=3 241 B14R2.322 c1csc(c1)CNCc2cnco2 270004a_100020634212_100000209959 [0,0,0,0,0,0|2,1,0]=3 242 B14R2.322 c1csc(c1)CNCc2cncs2 207a_100000211653_100000749870 [0,0,0,0,0,0|2,2,0]=4 243 B14R2.322 c1csc(c1)CNCc2cncs2 207a_100016987365_100000209959 [0,0,0,0,0,0|2,2,0]=4 244 B14R2.322 c1csc(c1)CNCc2cncs2 2230a_100000211653_100015185245 [0,0,0,0,0,0|2,2,0]=4 245 B14R2.322 c1csc(c1)CNCc2cncs2 270004a_100000211653_100000749870 [0,0,0,0,0,0|2,2,0]=4 246 B14R2.322 c1csc(c1)CNCc2cncs2 270004a_100016987365_100000209959 [0,0,0,0,0,0|2,2,0]=4 247 B14R2.322 c1csc(c1)CNCc2cocn2 207a_100015188801_100000209959 [0,0,0,0,0,0|3,1,0]=4 248 B14R2.322 c1csc(c1)CNCc2cocn2 270004a_100000211653_100000050382 [0,0,0,0,0,0|3,1,0]=4 249 B14R2.322 c1csc(c1)CNCc2cocn2 270004a_100015188801_100000209959 [0,0,0,0,0,0|3,1,0]=4 250 B14R2.322 c1csc(c1)CNCc2cscn2 207a_100000211653_100000743575 [0,0,0,0,0,0|3,1,0]=4 251 B14R2.322 c1csc(c1)CNCc2cscn2 207a_100015185402_100000209959 [0,0,0,0,0,0|3,1,0]=4 252 B14R2.322 c1csc(c1)CNCc2cscn2 2230a_100000211653_100000205941 [0,0,0,0,0,0|3,1,0]=4 253 B14R2.322 c1csc(c1)CNCc2cscn2 270004a_100000211653_100000743575 [0,0,0,0,0,0|3,1,0]=4 254 B14R2.322 c1csc(c1)CNCc2ncc[nH]2 207a_100000211653_100000743867 [0,0,0,0,0,0|3,1,0]=4 255 B14R2.322 c1csc(c1)CNCc2ncc[nH]2 207a_100000754540_100000209959 [0,0,0,0,0,0|3,1,0]=4 256 B14R2.322 c1csc(c1)CNCc2ncc[nH]2 2230a_100000211653_100016991755 [0,0,0,0,0,0|3,1,0]=4 257 B14R2.322 c1csc(c1)CNCc2ncc[nH]2 270004a_100000754540_100000209959 [0,0,0,0,0,0|3,1,0]=4 258 B14R2.322 c1csc(c1)CNCc2ncco2 207a_100016994969_100000209959 [0,0,0,0,0,0|2,1,0]=3 259 B14R2.322 c1csc(c1)CNCc2ncco2 2230a_100000211653_103436540062 [0,0,0,0,0,0|2,1,0]=3 260 B14R2.322 c1csc(c1)CNCc2ncco2 270004a_100000211653_100000064290 [0,0,0,0,0,0|2,1,0]=3 261 B14R2.322 c1csc(c1)CNCc2nccs2 207a_100000211653_100000750902 [0,0,0,0,0,0|2,2,0]=4 262 B14R2.322 c1csc(c1)CNCc2nccs2 207a_100000740555_100000209959 [0,0,0,0,0,0|2,2,0]=4 263 B14R2.322 c1csc(c1)CNCc2nccs2 2230a_100000211653_100015184050 [0,0,0,0,0,0|2,2,0]=4 264 B14R2.322 c1csc(c1)CNCc2nccs2 270004a_100000211653_100000750902 [0,0,0,0,0,0|2,2,0]=4 265 B14R2.322 c1csc(c1)CNCc2nccs2 270004a_100000740555_100000209959 [0,0,0,0,0,0|2,2,0]=4 266 B14R2.322 c1csc(c1)COCc2c[nH]cn2 34a_100000211240_100000707719 [0,0,0,0,0,0|2,2,0]=4 267 B14R2.322 c1csc(c1)COCc2ccn[nH]2 34a_100000211240_100000728653 [0,0,0,0,0,0|2,2,0]=4 268 B14R2.322 c1csc(c1)COCc2ccon2 34a_100000211240_100000234950 [0,0,0,0,0,0|2,2,0]=4 269 B14R2.322 c1csc(c1)COCc2ccsc2 34a_100000211240_100011261437 [0,0,0,0,0,0|2,2,0]=4 270 B14R2.322 c1csc(c1)COCc2cncs2 34a_100000211240_100015185245 [0,0,0,0,0,0|1,3,0]=4 271 B14R2.322 c1csc(c1)COCc2cscn2 34a_100000211240_100000205941 [0,0,0,0,0,0|2,2,0]=4 272 B14R2.322 c1csc(c1)COCc2ncc[nH]2 34a_100000211240_100016991755 [0,0,0,0,0,0|2,2,0]=4 273 B14R2.322 c1csc(c1)COCc2ncco2 34a_100000211240_103436540062 [0,0,0,0,0,0|1,2,0]=3 274 B14R2.322 c1csc(c1)COCc2nccs2 34a_100000211240_100015184050 [0,0,0,0,0,0|1,3,0]=4 275 B14R2.322 c1csc(n1)CNCc2cnco2 207a_100020634212_100000750902 [0,0,0,0,0,0|3,1,0]=4 276 B14R2.322 c1csc(n1)CNCc2cnco2 270004a_100000740555_100000064291 [0,0,0,0,0,0|3,1,0]=4 277 B14R2.322 c1csc(n1)CNCc2cnco2 270004a_100020634212_100000750902 [0,0,0,0,0,0|3,1,0]=4 278 B14R2.322 c1csc(n1)CSCc2c[nH]cn2 62a_100000707719_100015184050 [0,0,0,0,0,0|3,1,0]=4 279 B14R2.322 c1csc(n1)CSCc2c[nH]cn2 62a_100015184050_100000707719 [0,0,0,0,0,0|3,1,0]=4 280 B14R2.322 c1csc(n1)CSCc2ccon2 62a_100000234950_100015184050 [0,0,0,0,0,0|3,1,0]=4 281 B14R2.322 c1csc(n1)CSCc2ccon2 62a_100015184050_100000234950 [0,0,0,0,0,0|3,1,0]=4 282 B14R2.322 c1csc(n1)CSCc2ccsc2 62a_100011261437_100015184050 [0,0,0,0,0,0|3,1,0]=4 283 B14R2.322 c1csc(n1)CSCc2ccsc2 62a_100015184050_100011233845 [0,0,0,0,0,0|3,1,0]=4 284 B14R2.322 c1csc(n1)CSCc2cncs2 62a_100015184050_100015185245 [0,0,0,0,0,0|2,2,0]=4 285 B14R2.322 c1csc(n1)CSCc2cncs2 62a_100015185245_100015184050 [0,0,0,0,0,0|2,2,0]=4 286 B14R2.322 c1csc(n1)CSCc2cscn2 62a_100000205941_100015184050 [0,0,0,0,0,0|3,1,0]=4 287 B14R2.322 c1csc(n1)CSCc2cscn2 62a_100015184050_100000205941 [0,0,0,0,0,0|3,1,0]=4 288 B14R2.322 c1csc(n1)CSCc2nccs2 62a_100015184050_100015184050 [0,0,0,0,0,0|2,2,0]=4 289 B14R2.322 c1nc(c[nH]1)CSCc2c[nH]cn2 62a_100000707719_100000707719 [0,0,0,0,0,0|4,0,0]=4 290 B14R2.322 c1nc(c[nH]1)CSCc2ccon2 62a_100000234950_100000707719 [0,0,0,0,0,0|4,0,0]=4 291 B14R2.322 c1nc(c[nH]1)CSCc2ccon2 62a_100000707719_100000234950 [0,0,0,0,0,0|4,0,0]=4 292 B14R2.322 c1nc(c[nH]1)CSCc2ccsc2 62a_100000707719_100011233845 [0,0,0,0,0,0|4,0,0]=4 293 B14R2.322 c1nc(c[nH]1)CSCc2ccsc2 62a_100011261437_100000707719 [0,0,0,0,0,0|4,0,0]=4 294 B14R2.322 c1nc(c[nH]1)CSCc2cncs2 62a_100000707719_100015185245 [0,0,0,0,0,0|3,1,0]=4 295 B14R2.322 c1nc(c[nH]1)CSCc2cncs2 62a_100015185245_100000707719 [0,0,0,0,0,0|3,1,0]=4 296 B14R2.322 c1nc(c[nH]1)CSCc2cscn2 62a_100000205941_100000707719 [0,0,0,0,0,0|4,0,0]=4 297 B14R2.322 c1nc(c[nH]1)CSCc2cscn2 62a_100000707719_100000205941 [0,0,0,0,0,0|4,0,0]=4 298 B14R2.322 c1nc(co1)CNCc2cnco2 270004a_100015188801_100000064291 [0,0,0,0,0,0|4,0,0]=4 299 B14R2.322 c1nc(co1)CNCc2cnco2 270004a_100020634212_100000050382 [0,0,0,0,0,0|4,0,0]=4 300 B14R2.322 c1nc(cs1)CSCc2cncs2 62a_100000205941_100015185245 [0,0,0,0,0,0|3,1,0]=4 301 B14R2.322 c1nc(cs1)CSCc2cncs2 62a_100015185245_100000205941 [0,0,0,0,0,0|3,1,0]=4 302 B14R2.322 c1nc(cs1)CSCc2cscn2 62a_100000205941_100000205941 [0,0,0,0,0,0|4,0,0]=4 303 B14R2.322 c1ncc([nH]1)CNCc2cnco2 207a_100020634212_100000742939 [0,0,0,0,0,0|4,0,0]=4 304 B14R2.322 c1ncc(o1)CNCc2ccsc2 207a_100020634212_100000188534 [0,0,0,0,0,0|4,0,0]=4 305 B14R2.322 c1ncc(o1)CNCc2ccsc2 270004a_100000186416_100000064291 [0,0,0,0,0,0|4,0,0]=4 306 B14R2.322 c1ncc(o1)CNCc2ccsc2 270004a_100020634212_100000188534 [0,0,0,0,0,0|4,0,0]=4 307 B14R2.322 c1ncc(o1)CNCc2cnco2 270004a_100020634212_100000064291 [0,0,0,0,0,0|3,0,0]=3 308 B14R2.322 c1ncc(o1)CNCc2cncs2 207a_100020634212_100000749870 [0,0,0,0,0,0|3,1,0]=4 309 B14R2.322 c1ncc(o1)CNCc2cncs2 270004a_100016987365_100000064291 [0,0,0,0,0,0|3,1,0]=4 310 B14R2.322 c1ncc(o1)CNCc2cncs2 270004a_100020634212_100000749870 [0,0,0,0,0,0|3,1,0]=4 311 B14R2.322 c1ncc(o1)CNCc2cscn2 207a_100020634212_100000743575 [0,0,0,0,0,0|4,0,0]=4 312 B14R2.322 c1ncc(o1)CNCc2cscn2 270004a_100020634212_100000743575 [0,0,0,0,0,0|4,0,0]=4 313 B14R2.322 c1ncc(s1)CSCc2cncs2 62a_100015185245_100015185245 [0,0,0,0,0,0|2,2,0]=4 314 B15R2.286 Brc1c[nH]c(c1)CNCc2ccco2 270004a_100000185738_100000720742 [0,1,0,0,0,0|2,0,0]=3 315 B15R2.286 Brc1c[nH]c(c1)CNCc2cccs2 270004a_100000211653_100000720742 [0,1,0,0,0,0|2,1,0]=4 316 B15R2.286 Brc1c[nH]c(c1)CNCc2cnco2 270004a_100020634212_100000720742 [0,1,0,0,0,0|3,0,0]=4 317 B15R2.286 Brc1cc(cs1)CNCc2ccco2 207a_100000185738_100000737087 [0,1,0,0,0,0|3,0,0]=4 318 B15R2.286 Brc1cc(cs1)CNCc2ccco2 270004a_100000185738_100000737087 [0,1,0,0,0,0|3,0,0]=4 319 B15R2.286 Brc1cc(on1)CNCc2ccco2 207a_100015193020_100000186105 [0,1,0,0,0,0|2,0,0]=3 320 B15R2.286 Brc1cc(on1)CNCc2ccco2 270004a_100000185738_100009819588 [0,1,0,0,0,0|2,0,0]=3 321 B15R2.286 Brc1cc(on1)CNCc2cccs2 207a_100015193020_100000209959 [0,1,0,0,0,0|2,1,0]=4 322 B15R2.286 Brc1cc(on1)CNCc2cccs2 270004a_100000211653_100009819588 [0,1,0,0,0,0|2,1,0]=4 323 B15R2.286 Brc1cc(on1)CNCc2cnco2 270004a_100020634212_100009819588 [0,1,0,0,0,0|3,0,0]=4 324 B15R2.286 Brc1cc(on1)CNCc2ncco2 2230a_100015193020_103436540062 [0,1,0,0,0,0|3,0,0]=4 325 B15R2.286 Brc1cc(on1)CNCc2ncco2 34a_100015193020_103436540062 [0,1,0,0,0,0|3,0,0]=4 326 B15R2.286 Brc1cc(on1)COCc2ncco2 34a_100009816691_103436540062 [0,1,0,0,0,0|2,1,0]=4 327 B15R2.286 Brc1cc(on1)CSCc2c[nH]cn2 62a_100000707719_100000709089 [0,1,0,0,0,0|3,0,0]=4 328 B15R2.286 Brc1cc(on1)CSCc2c[nH]cn2 62a_100000709089_100000707719 [0,1,0,0,0,0|3,0,0]=4 329 B15R2.286 Brc1cc(on1)CSCc2ccn[nH]2 62a_100000709089_100000728653 [0,1,0,0,0,0|3,0,0]=4 330 B15R2.286 Brc1cc(on1)CSCc2ccn[nH]2 62a_100000728653_100000709089 [0,1,0,0,0,0|3,0,0]=4 331 B15R2.286 Brc1cc(on1)CSCc2ccon2 62a_100000234950_100000709089 [0,1,0,0,0,0|3,0,0]=4 332 B15R2.286 Brc1cc(on1)CSCc2ccon2 62a_100000709089_100000234950 [0,1,0,0,0,0|3,0,0]=4 333 B15R2.286 Brc1cc(on1)CSCc2ccsc2 62a_100000709089_100011233845 [0,1,0,0,0,0|3,0,0]=4 334 B15R2.286 Brc1cc(on1)CSCc2ccsc2 62a_100011261437_100000709089 [0,1,0,0,0,0|3,0,0]=4 335 B15R2.286 Brc1cc(on1)CSCc2cncs2 62a_100000709089_100015185245 [0,1,0,0,0,0|2,1,0]=4 336 B15R2.286 Brc1cc(on1)CSCc2cncs2 62a_100015185245_100000709089 [0,1,0,0,0,0|2,1,0]=4 337 B15R2.286 Brc1cc(on1)CSCc2cscn2 62a_100000205941_100000709089 [0,1,0,0,0,0|3,0,0]=4 338 B15R2.286 Brc1cc(on1)CSCc2cscn2 62a_100000709089_100000205941 [0,1,0,0,0,0|3,0,0]=4 339 B15R2.286 Brc1cc(on1)CSCc2ncc[nH]2 62a_100000709089_100016991755 [0,1,0,0,0,0|3,0,0]=4 340 B15R2.286 Brc1cc(on1)CSCc2ncc[nH]2 62a_100016991755_100000709089 [0,1,0,0,0,0|3,0,0]=4 341 B15R2.286 Brc1cc(on1)CSCc2ncco2 62a_100000709089_103436540062 [0,1,0,0,0,0|2,0,0]=3 342 B15R2.286 Brc1cc(on1)CSCc2ncco2 62a_103436540062_100000709089 [0,1,0,0,0,0|2,0,0]=3 343 B15R2.286 Brc1cc(on1)CSCc2nccs2 62a_100000709089_100015184050 [0,1,0,0,0,0|2,1,0]=4 344 B15R2.286 Brc1cc(on1)CSCc2nccs2 62a_100015184050_100000709089 [0,1,0,0,0,0|2,1,0]=4 345 B15R2.286 Brc1ccc(o1)CNCc2c[nH]cn2 207a_100000758547_100000185145 [0,1,0,0,0,0|3,0,0]=4 346 B15R2.286 Brc1ccc(o1)CNCc2c[nH]cn2 34a_100000708654_100000707719 [0,1,0,0,0,0|3,0,0]=4 347 B15R2.286 Brc1ccc(o1)CNCc2cc[nH]n2 207a_100000708654_100000738523 [0,1,0,0,0,0|3,0,0]=4 348 B15R2.286 Brc1ccc(o1)CNCc2cc[nH]n2 207a_100000739516_100000185145 [0,1,0,0,0,0|3,0,0]=4 349 B15R2.286 Brc1ccc(o1)CNCc2cc[nH]n2 270004a_100000708654_100000738523 [0,1,0,0,0,0|3,0,0]=4 350 B15R2.286 Brc1ccc(o1)CNCc2ccco2 207a_100000185738_100000185145 [0,1,0,0,0,0|1,0,0]=2 351 B15R2.286 Brc1ccc(o1)CNCc2ccco2 207a_100000708654_100000186105 [0,1,0,0,0,0|1,0,0]=2 352 B15R2.286 Brc1ccc(o1)CNCc2ccco2 270004a_100000185738_100000185145 [0,1,0,0,0,0|1,0,0]=2 353 B15R2.286 Brc1ccc(o1)CNCc2ccco2 270004a_100000708654_100000186105 [0,1,0,0,0,0|1,0,0]=2 354 B15R2.286 Brc1ccc(o1)CNCc2cccs2 207a_100000211653_100000185145 [0,1,0,0,0,0|1,1,0]=3 355 B15R2.286 Brc1ccc(o1)CNCc2cccs2 207a_100000708654_100000209959 [0,1,0,0,0,0|1,1,0]=3 356 B15R2.286 Brc1ccc(o1)CNCc2cccs2 270004a_100000211653_100000185145 [0,1,0,0,0,0|1,1,0]=3 357 B15R2.286 Brc1ccc(o1)CNCc2cccs2 270004a_100000708654_100000209959 [0,1,0,0,0,0|1,1,0]=3 358 B15R2.286 Brc1ccc(o1)CNCc2ccn[nH]2 34a_100000708654_100000728653 [0,1,0,0,0,0|3,0,0]=4 359 B15R2.286 Brc1ccc(o1)CNCc2ccoc2 207a_100000708654_100011215517 [0,1,0,0,0,0|3,0,0]=4 360 B15R2.286 Brc1ccc(o1)CNCc2ccoc2 207a_100015206860_100000185145 [0,1,0,0,0,0|3,0,0]=4 361 B15R2.286 Brc1ccc(o1)CNCc2ccoc2 270004a_100000708654_100011215517 [0,1,0,0,0,0|3,0,0]=4 362 B15R2.286 Brc1ccc(o1)CNCc2ccoc2 270004a_100015206860_100000185145 [0,1,0,0,0,0|3,0,0]=4 363 B15R2.286 Brc1ccc(o1)CNCc2ccon2 207a_100000688301_100000185145 [0,1,0,0,0,0|3,0,0]=4 364 B15R2.286 Brc1ccc(o1)CNCc2ccon2 270004a_100000688301_100000185145 [0,1,0,0,0,0|3,0,0]=4 365 B15R2.286 Brc1ccc(o1)CNCc2ccon2 34a_100000708654_100000234950 [0,1,0,0,0,0|3,0,0]=4 366 B15R2.286 Brc1ccc(o1)CNCc2ccsc2 207a_100000186416_100000185145 [0,1,0,0,0,0|3,0,0]=4 367 B15R2.286 Brc1ccc(o1)CNCc2ccsc2 207a_100000708654_100000188534 [0,1,0,0,0,0|3,0,0]=4 368 B15R2.286 Brc1ccc(o1)CNCc2ccsc2 270004a_100000186416_100000185145 [0,1,0,0,0,0|3,0,0]=4 369 B15R2.286 Brc1ccc(o1)CNCc2ccsc2 270004a_100000708654_100000188534 [0,1,0,0,0,0|3,0,0]=4 370 B15R2.286 Brc1ccc(o1)CNCc2ccsc2 34a_100000708654_100011261437 [0,1,0,0,0,0|3,0,0]=4 371 B15R2.286 Brc1ccc(o1)CNCc2cnc[nH]2 207a_100000708654_100000742939 [0,1,0,0,0,0|3,0,0]=4 372 B15R2.286 Brc1ccc(o1)CNCc2cnco2 207a_100020634212_100000185145 [0,1,0,0,0,0|2,0,0]=3 373 B15R2.286 Brc1ccc(o1)CNCc2cnco2 270004a_100000708654_100000064291 [0,1,0,0,0,0|2,0,0]=3 374 B15R2.286 Brc1ccc(o1)CNCc2cnco2 270004a_100020634212_100000185145 [0,1,0,0,0,0|2,0,0]=3 375 B15R2.286 Brc1ccc(o1)CNCc2cncs2 207a_100000708654_100000749870 [0,1,0,0,0,0|2,1,0]=4 376 B15R2.286 Brc1ccc(o1)CNCc2cncs2 207a_100016987365_100000185145 [0,1,0,0,0,0|2,1,0]=4 377 B15R2.286 Brc1ccc(o1)CNCc2cncs2 270004a_100000708654_100000749870 [0,1,0,0,0,0|2,1,0]=4 378 B15R2.286 Brc1ccc(o1)CNCc2cncs2 270004a_100016987365_100000185145 [0,1,0,0,0,0|2,1,0]=4 379 B15R2.286 Brc1ccc(o1)CNCc2cncs2 34a_100000708654_100015185245 [0,1,0,0,0,0|2,1,0]=4 380 B15R2.286 Brc1ccc(o1)CNCc2cocn2 207a_100015188801_100000185145 [0,1,0,0,0,0|3,0,0]=4 381 B15R2.286 Brc1ccc(o1)CNCc2cocn2 270004a_100000708654_100000050382 [0,1,0,0,0,0|3,0,0]=4 382 B15R2.286 Brc1ccc(o1)CNCc2cocn2 270004a_100015188801_100000185145 [0,1,0,0,0,0|3,0,0]=4 383 B15R2.286 Brc1ccc(o1)CNCc2cscn2 207a_100000708654_100000743575 [0,1,0,0,0,0|3,0,0]=4 384 B15R2.286 Brc1ccc(o1)CNCc2cscn2 207a_100015185402_100000185145 [0,1,0,0,0,0|3,0,0]=4 385 B15R2.286 Brc1ccc(o1)CNCc2cscn2 270004a_100000708654_100000743575 [0,1,0,0,0,0|3,0,0]=4 386 B15R2.286 Brc1ccc(o1)CNCc2cscn2 34a_100000708654_100000205941 [0,1,0,0,0,0|3,0,0]=4 387 B15R2.286 Brc1ccc(o1)CNCc2ncc[nH]2 207a_100000708654_100000743867 [0,1,0,0,0,0|3,0,0]=4 388 B15R2.286 Brc1ccc(o1)CNCc2ncc[nH]2 207a_100000754540_100000185145 [0,1,0,0,0,0|3,0,0]=4 389 B15R2.286 Brc1ccc(o1)CNCc2ncc[nH]2 270004a_100000754540_100000185145 [0,1,0,0,0,0|3,0,0]=4 390 B15R2.286 Brc1ccc(o1)CNCc2ncc[nH]2 34a_100000708654_100016991755 [0,1,0,0,0,0|3,0,0]=4 391 B15R2.286 Brc1ccc(o1)CNCc2ncco2 207a_100016994969_100000185145 [0,1,0,0,0,0|2,0,0]=3 392 B15R2.286 Brc1ccc(o1)CNCc2ncco2 270004a_100000708654_100000064290 [0,1,0,0,0,0|2,0,0]=3 393 B15R2.286 Brc1ccc(o1)CNCc2ncco2 34a_100000708654_103436540062 [0,1,0,0,0,0|2,0,0]=3 394 B15R2.286 Brc1ccc(o1)CNCc2nccs2 207a_100000708654_100000750902 [0,1,0,0,0,0|2,1,0]=4 395 B15R2.286 Brc1ccc(o1)CNCc2nccs2 207a_100000740555_100000185145 [0,1,0,0,0,0|2,1,0]=4 396 B15R2.286 Brc1ccc(o1)CNCc2nccs2 270004a_100000708654_100000750902 [0,1,0,0,0,0|2,1,0]=4 397 B15R2.286 Brc1ccc(o1)CNCc2nccs2 270004a_100000740555_100000185145 [0,1,0,0,0,0|2,1,0]=4 398 B15R2.286 Brc1ccc(o1)CNCc2nccs2 34a_100000708654_100015184050 [0,1,0,0,0,0|2,1,0]=4 399 B15R2.286 Brc1ccc(o1)COCc2c[nH]cn2 34a_100000246276_100000707719 [0,1,0,0,0,0|2,1,0]=4 400 B15R2.286 Brc1ccc(o1)COCc2ccn[nH]2 34a_100000246276_100000728653 [0,1,0,0,0,0|2,1,0]=4 401 B15R2.286 Brc1ccc(o1)COCc2ccn[nH]2 7a_100000246276_100000728653 [0,1,0,0,0,0|2,1,0]=4 402 B15R2.286 Brc1ccc(o1)COCc2ccon2 34a_100000246276_100000234950 [0,1,0,0,0,0|2,1,0]=4 403 B15R2.286 Brc1ccc(o1)COCc2ccon2 7a_100000246276_100000234950 [0,1,0,0,0,0|2,1,0]=4 404 B15R2.286 Brc1ccc(o1)COCc2ccsc2 34a_100000246276_100011261437 [0,1,0,0,0,0|2,1,0]=4 405 B15R2.286 Brc1ccc(o1)COCc2ccsc2 7a_100000246276_100011261437 [0,1,0,0,0,0|2,1,0]=4 406 B15R2.286 Brc1ccc(o1)COCc2cncs2 34a_100000246276_100015185245 [0,1,0,0,0,0|1,2,0]=4 407 B15R2.286 Brc1ccc(o1)COCc2cncs2 7a_100000246276_100015185245 [0,1,0,0,0,0|1,2,0]=4 408 B15R2.286 Brc1ccc(o1)COCc2cscn2 34a_100000246276_100000205941 [0,1,0,0,0,0|2,1,0]=4 409 B15R2.286 Brc1ccc(o1)COCc2cscn2 7a_100000246276_100000205941 [0,1,0,0,0,0|2,1,0]=4 410 B15R2.286 Brc1ccc(o1)COCc2ncc[nH]2 34a_100000246276_100016991755 [0,1,0,0,0,0|2,1,0]=4 411 B15R2.286 Brc1ccc(o1)COCc2ncc[nH]2 7a_100000246276_100000753453 [0,1,0,0,0,0|2,1,0]=4 412 B15R2.286 Brc1ccc(o1)COCc2ncco2 34a_100000246276_103436540062 [0,1,0,0,0,0|1,1,0]=3 413 B15R2.286 Brc1ccc(o1)COCc2ncco2 7a_100000246276_103436540062 [0,1,0,0,0,0|1,1,0]=3 414 B15R2.286 Brc1ccc(o1)COCc2nccs2 34a_100000246276_100015184050 [0,1,0,0,0,0|1,2,0]=4 415 B15R2.286 Brc1ccc(o1)COCc2nccs2 7a_100000246276_100015184050 [0,1,0,0,0,0|1,2,0]=4 416 B15R2.286 Brc1ccc(s1)CNCc2ccco2 207a_100000185738_100000179771 [0,1,0,0,0,0|1,1,0]=3 417 B15R2.286 Brc1ccc(s1)CNCc2ccco2 207a_100000737305_100000186105 [0,1,0,0,0,0|1,1,0]=3 418 B15R2.286 Brc1ccc(s1)CNCc2ccco2 2230a_100000185738_100000708592 [0,1,0,0,0,0|1,1,0]=3 419 B15R2.286 Brc1ccc(s1)CNCc2ccco2 270004a_100000185738_100000179771 [0,1,0,0,0,0|1,1,0]=3 420 B15R2.286 Brc1ccc(s1)CNCc2ccco2 270004a_100000737305_100000186105 [0,1,0,0,0,0|1,1,0]=3 421 B15R2.286 Brc1ccc(s1)CNCc2ccco2 34a_100000185738_100000708592 [0,1,0,0,0,0|1,1,0]=3 422 B15R2.286 Brc1ccc(s1)CNCc2cccs2 207a_100000211653_100000179771 [0,1,0,0,0,0|1,2,0]=4 423 B15R2.286 Brc1ccc(s1)CNCc2cccs2 207a_100000737305_100000209959 [0,1,0,0,0,0|1,2,0]=4 424 B15R2.286 Brc1ccc(s1)CNCc2cccs2 2230a_100000211653_100000708592 [0,1,0,0,0,0|1,2,0]=4 425 B15R2.286 Brc1ccc(s1)CNCc2cccs2 270004a_100000211653_100000179771 [0,1,0,0,0,0|1,2,0]=4 426 B15R2.286 Brc1ccc(s1)CNCc2cccs2 270004a_100000737305_100000209959 [0,1,0,0,0,0|1,2,0]=4 427 B15R2.286 Brc1ccc(s1)CNCc2cnco2 207a_100020634212_100000179771 [0,1,0,0,0,0|2,1,0]=4 428 B15R2.286 Brc1ccc(s1)CNCc2cnco2 270004a_100000737305_100000064291 [0,1,0,0,0,0|2,1,0]=4 429 B15R2.286 Brc1ccc(s1)CNCc2cnco2 270004a_100020634212_100000179771 [0,1,0,0,0,0|2,1,0]=4 430 B15R2.286 Brc1ccc(s1)CNCc2ncco2 207a_100016994969_100000179771 [0,1,0,0,0,0|2,1,0]=4 431 B15R2.286 Brc1ccc(s1)CNCc2ncco2 2230a_100016994969_100000708592 [0,1,0,0,0,0|2,1,0]=4 432 B15R2.286 Brc1ccc(s1)CNCc2ncco2 270004a_100000737305_100000064290 [0,1,0,0,0,0|2,1,0]=4 433 B15R2.286 Brc1ccc(s1)COCc2ccco2 34a_100000210059_100000708592 [0,1,0,0,0,0|0,2,0]=3 434 B15R2.286 Brc1ccc(s1)COCc2cccs2 34a_100000211240_100000708592 [0,1,0,0,0,0|0,3,0]=4 435 B15R2.286 Brc1ccc(s1)COCc2ccno2 34a_100000740478_100000708592 [0,1,0,0,0,0|1,2,0]=4 436 B15R2.286 Brc1ccc(s1)COCc2ncco2 34a_100000062594_100000708592 [0,1,0,0,0,0|1,2,0]=4 437 B15R2.286 Brc1ccc(s1)CSCc2c[nH]cn2 62a_100000707719_100000708592 [0,1,0,0,0,0|2,1,0]=4 438 B15R2.286 Brc1ccc(s1)CSCc2c[nH]cn2 62a_100000708592_100000707719 [0,1,0,0,0,0|2,1,0]=4 439 B15R2.286 Brc1ccc(s1)CSCc2ccn[nH]2 62a_100000708592_100000728653 [0,1,0,0,0,0|2,1,0]=4 440 B15R2.286 Brc1ccc(s1)CSCc2ccn[nH]2 62a_100000728653_100000708592 [0,1,0,0,0,0|2,1,0]=4 441 B15R2.286 Brc1ccc(s1)CSCc2ccon2 62a_100000234950_100000708592 [0,1,0,0,0,0|2,1,0]=4 442 B15R2.286 Brc1ccc(s1)CSCc2ccon2 62a_100000708592_100000234950 [0,1,0,0,0,0|2,1,0]=4 443 B15R2.286 Brc1ccc(s1)CSCc2ccsc2 62a_100000708592_100011233845 [0,1,0,0,0,0|2,1,0]=4 444 B15R2.286 Brc1ccc(s1)CSCc2ccsc2 62a_100011261437_100000708592 [0,1,0,0,0,0|2,1,0]=4 445 B15R2.286 Brc1ccc(s1)CSCc2cncs2 62a_100000708592_100015185245 [0,1,0,0,0,0|1,2,0]=4 446 B15R2.286 Brc1ccc(s1)CSCc2cncs2 62a_100015185245_100000708592 [0,1,0,0,0,0|1,2,0]=4 447 B15R2.286 Brc1ccc(s1)CSCc2cscn2 62a_100000205941_100000708592 [0,1,0,0,0,0|2,1,0]=4 448 B15R2.286 Brc1ccc(s1)CSCc2cscn2 62a_100000708592_100000205941 [0,1,0,0,0,0|2,1,0]=4 449 B15R2.286 Brc1ccc(s1)CSCc2ncc[nH]2 62a_100000708592_100016991755 [0,1,0,0,0,0|2,1,0]=4 450 B15R2.286 Brc1ccc(s1)CSCc2ncc[nH]2 62a_100016991755_100000708592 [0,1,0,0,0,0|2,1,0]=4 451 B15R2.286 Brc1ccc(s1)CSCc2ncco2 62a_100000708592_103436540062 [0,1,0,0,0,0|1,1,0]=3 452 B15R2.286 Brc1ccc(s1)CSCc2ncco2 62a_103436540062_100000708592 [0,1,0,0,0,0|1,1,0]=3 453 B15R2.286 Brc1ccc(s1)CSCc2nccs2 62a_100000708592_100015184050 [0,1,0,0,0,0|1,2,0]=4 454 B15R2.286 Brc1ccc(s1)CSCc2nccs2 62a_100015184050_100000708592 [0,1,0,0,0,0|1,2,0]=4 455 B15R2.286 Brc1cnc(s1)CNCc2ccco2 207a_100016991807_100000186105 [0,1,0,0,0,0|2,1,0]=4 456 B15R2.286 Brc1cnc(s1)CNCc2ccco2 270004a_100000185738_100000699580 [0,1,0,0,0,0|2,1,0]=4 457 B15R2.286 Brc1cnc(s1)CNCc2ccco2 270004a_100016991807_100000186105 [0,1,0,0,0,0|2,1,0]=4 458 B15R2.286 Brc1coc(c1)CNCc2ccco2 270004a_100000185738_100000747035 [0,1,0,0,0,0|1,0,0]=2 459 B15R2.286 Brc1coc(c1)CNCc2cccs2 270004a_100000211653_100000747035 [0,1,0,0,0,0|1,1,0]=3 460 B15R2.286 Brc1coc(c1)CNCc2ccoc2 270004a_100015206860_100000747035 [0,1,0,0,0,0|3,0,0]=4 461 B15R2.286 Brc1coc(c1)CNCc2ccon2 270004a_100000688301_100000747035 [0,1,0,0,0,0|3,0,0]=4 462 B15R2.286 Brc1coc(c1)CNCc2ccsc2 270004a_100000186416_100000747035 [0,1,0,0,0,0|3,0,0]=4 463 B15R2.286 Brc1coc(c1)CNCc2cnco2 270004a_100020634212_100000747035 [0,1,0,0,0,0|2,0,0]=3 464 B15R2.286 Brc1coc(c1)CNCc2cncs2 270004a_100016987365_100000747035 [0,1,0,0,0,0|2,1,0]=4 465 B15R2.286 Brc1coc(c1)CNCc2cocn2 270004a_100015188801_100000747035 [0,1,0,0,0,0|3,0,0]=4 466 B15R2.286 Brc1coc(c1)CNCc2ncc[nH]2 270004a_100000754540_100000747035 [0,1,0,0,0,0|3,0,0]=4 467 B15R2.286 Brc1coc(c1)CNCc2nccs2 270004a_100000740555_100000747035 [0,1,0,0,0,0|2,1,0]=4 468 B15R2.286 Brc1csc(c1)CNCc2ccco2 207a_100000185738_100000211722 [0,1,0,0,0,0|1,1,0]=3 469 B15R2.286 Brc1csc(c1)CNCc2ccco2 207a_100000741024_100000186105 [0,1,0,0,0,0|1,1,0]=3 470 B15R2.286 Brc1csc(c1)CNCc2ccco2 2230a_100000185738_100000746031 [0,1,0,0,0,0|1,1,0]=3 471 B15R2.286 Brc1csc(c1)CNCc2ccco2 270004a_100000185738_100000211722 [0,1,0,0,0,0|1,1,0]=3 472 B15R2.286 Brc1csc(c1)CNCc2ccco2 270004a_100000741024_100000186105 [0,1,0,0,0,0|1,1,0]=3 473 B15R2.286 Brc1csc(c1)CNCc2ccco2 34a_100000185738_100000746031 [0,1,0,0,0,0|1,1,0]=3 474 B15R2.286 Brc1csc(c1)CNCc2cccs2 207a_100000211653_100000211722 [0,1,0,0,0,0|1,2,0]=4 475 B15R2.286 Brc1csc(c1)CNCc2cccs2 207a_100000741024_100000209959 [0,1,0,0,0,0|1,2,0]=4 476 B15R2.286 Brc1csc(c1)CNCc2cccs2 2230a_100000211653_100000746031 [0,1,0,0,0,0|1,2,0]=4 477 B15R2.286 Brc1csc(c1)CNCc2cccs2 270004a_100000211653_100000211722 [0,1,0,0,0,0|1,2,0]=4 478 B15R2.286 Brc1csc(c1)CNCc2cccs2 270004a_100000741024_100000209959 [0,1,0,0,0,0|1,2,0]=4 479 B15R2.286 Brc1csc(c1)CNCc2cnco2 207a_100020634212_100000211722 [0,1,0,0,0,0|2,1,0]=4 480 B15R2.286 Brc1csc(c1)CNCc2cnco2 270004a_100000741024_100000064291 [0,1,0,0,0,0|2,1,0]=4 481 B15R2.286 Brc1csc(c1)CNCc2cnco2 270004a_100020634212_100000211722 [0,1,0,0,0,0|2,1,0]=4 482 B15R2.286 Brc1csc(c1)CNCc2ncco2 207a_100016994969_100000211722 [0,1,0,0,0,0|2,1,0]=4 483 B15R2.286 Brc1csc(c1)CNCc2ncco2 2230a_100000741024_103436540062 [0,1,0,0,0,0|2,1,0]=4 484 B15R2.286 Brc1csc(c1)CNCc2ncco2 2230a_100016994969_100000746031 [0,1,0,0,0,0|2,1,0]=4 485 B15R2.286 Brc1csc(c1)CNCc2ncco2 270004a_100000741024_100000064290 [0,1,0,0,0,0|2,1,0]=4 486 B15R2.286 Brc1csc(c1)CNCc2ncco2 34a_100000741024_103436540062 [0,1,0,0,0,0|2,1,0]=4 487 B15R2.286 Brc1csc(c1)COCc2ccco2 34a_100000210059_100000746031 [0,1,0,0,0,0|0,2,0]=3 488 B15R2.286 Brc1csc(c1)COCc2cccs2 34a_100000211240_100000746031 [0,1,0,0,0,0|0,3,0]=4 489 B15R2.286 Brc1csc(c1)COCc2ccno2 34a_100000740478_100000746031 [0,1,0,0,0,0|1,2,0]=4 490 B15R2.286 Brc1csc(c1)COCc2ncco2 34a_100000062594_100000746031 [0,1,0,0,0,0|1,2,0]=4 491 B15R2.286 Brc1csc(c1)COCc2ncco2 34a_100000238369_103436540062 [0,1,0,0,0,0|1,2,0]=4 492 B15R2.286 Brc1csc(c1)COCc2ncco2 7a_100000238369_103436540062 [0,1,0,0,0,0|1,2,0]=4 493 B15R2.286 Brc1csc(c1)CSCc2c[nH]cn2 62a_100000707719_100000746031 [0,1,0,0,0,0|2,1,0]=4 494 B15R2.286 Brc1csc(c1)CSCc2c[nH]cn2 62a_100000746031_100000707719 [0,1,0,0,0,0|2,1,0]=4 495 B15R2.286 Brc1csc(c1)CSCc2ccn[nH]2 62a_100000728653_100000746031 [0,1,0,0,0,0|2,1,0]=4 496 B15R2.286 Brc1csc(c1)CSCc2ccn[nH]2 62a_100000746031_100000728653 [0,1,0,0,0,0|2,1,0]=4 497 B15R2.286 Brc1csc(c1)CSCc2ccon2 62a_100000234950_100000746031 [0,1,0,0,0,0|2,1,0]=4 498 B15R2.286 Brc1csc(c1)CSCc2ccon2 62a_100000746031_100000234950 [0,1,0,0,0,0|2,1,0]=4 499 B15R2.286 Brc1csc(c1)CSCc2ccsc2 62a_100000746031_100011233845 [0,1,0,0,0,0|2,1,0]=4 500 B15R2.286 Brc1csc(c1)CSCc2ccsc2 62a_100011261437_100000746031 [0,1,0,0,0,0|2,1,0]=4 501 B15R2.286 Brc1csc(c1)CSCc2cncs2 62a_100000746031_100015185245 [0,1,0,0,0,0|1,2,0]=4 502 B15R2.286 Brc1csc(c1)CSCc2cncs2 62a_100015185245_100000746031 [0,1,0,0,0,0|1,2,0]=4 503 B15R2.286 Brc1csc(c1)CSCc2cscn2 62a_100000205941_100000746031 [0,1,0,0,0,0|2,1,0]=4 504 B15R2.286 Brc1csc(c1)CSCc2cscn2 62a_100000746031_100000205941 [0,1,0,0,0,0|2,1,0]=4 505 B15R2.286 Brc1csc(c1)CSCc2ncc[nH]2 62a_100000746031_100016991755 [0,1,0,0,0,0|2,1,0]=4 506 B15R2.286 Brc1csc(c1)CSCc2ncc[nH]2 62a_100016991755_100000746031 [0,1,0,0,0,0|2,1,0]=4 507 B15R2.286 Brc1csc(c1)CSCc2ncco2 62a_100000746031_103436540062 [0,1,0,0,0,0|1,1,0]=3 508 B15R2.286 Brc1csc(c1)CSCc2ncco2 62a_103436540062_100000746031 [0,1,0,0,0,0|1,1,0]=3 509 B15R2.286 Brc1csc(c1)CSCc2nccs2 62a_100000746031_100015184050 [0,1,0,0,0,0|1,2,0]=4 510 B15R2.286 Brc1csc(c1)CSCc2nccs2 62a_100015184050_100000746031 [0,1,0,0,0,0|1,2,0]=4 511 B15R2.286 Brc1csc(n1)CNCc2ccco2 270004a_100000185738_100009816814 [0,1,0,0,0,0|2,1,0]=4 512 B15R2.286 Brc1nc(cs1)CNCc2ccco2 270004a_100000185738_100009816748 [0,1,0,0,0,0|3,0,0]=4 513 B15R2.286 Brc1ncc(s1)CNCc2ccco2 207a_100000726991_100000186105 [0,1,0,0,0,0|2,1,0]=4 514 B15R2.286 Brc1ncc(s1)CNCc2ccco2 2230a_100000185738_100000717027 [0,1,0,0,0,0|2,1,0]=4 515 B15R2.286 Brc1ncc(s1)CNCc2ccco2 270004a_100000185738_100009814069 [0,1,0,0,0,0|2,1,0]=4 516 B15R2.286 Brc1ncc(s1)CNCc2ccco2 270004a_100000726991_100000186105 [0,1,0,0,0,0|2,1,0]=4 517 B15R2.286 Brc1ncc(s1)CNCc2ccco2 34a_100000185738_100000717027 [0,1,0,0,0,0|2,1,0]=4 518 B15R2.286 Brc1ncc(s1)COCc2ccco2 34a_100000210059_100000717027 [0,1,0,0,0,0|1,2,0]=4 519 B15R2.286 Brc1ncc(s1)CSCc2ncco2 62a_100000717027_103436540062 [0,1,0,0,0,0|2,1,0]=4 520 B15R2.286 Brc1ncc(s1)CSCc2ncco2 62a_103436540062_100000717027 [0,1,0,0,0,0|2,1,0]=4 521 B15R2.286 Cc1c[nH]c(n1)CNCc2ccco2 207a_100000185738_100000082322 [0,1,0,0,0,0|3,0,0]=4 522 B15R2.286 Cc1c[nH]c(n1)CNCc2ccco2 270004a_100000185738_100000082322 [0,1,0,0,0,0|3,0,0]=4 523 B15R2.286 Cc1cc([nH]n1)CNCc2ccco2 207a_100000185738_100000028150 [0,1,0,0,0,0|3,0,0]=4 524 B15R2.286 Cc1cc([nH]n1)CNCc2ccco2 207a_100025702664_100000186105 [0,1,0,0,0,0|3,0,0]=4 525 B15R2.286 Cc1cc([nH]n1)CNCc2ccco2 270004a_100000185738_100000028150 [0,1,0,0,0,0|3,0,0]=4 526 B15R2.286 Cc1cc([nH]n1)CNCc2ccco2 270004a_100025702664_100000186105 [0,1,0,0,0,0|3,0,0]=4 527 B15R2.286 Cc1cc(cs1)CNCc2ccco2 207a_100000185738_100011998532 [0,1,0,0,0,0|3,0,0]=4 528 B15R2.286 Cc1cc(cs1)CNCc2ccco2 270004a_100000185738_100011998532 [0,1,0,0,0,0|3,0,0]=4 529 B15R2.286 Cc1cc(no1)CNCc2ccco2 207a_100000185738_100011217994 [0,1,0,0,0,0|3,0,0]=4 530 B15R2.286 Cc1cc(no1)CNCc2ccco2 207a_100000745230_100000186105 [0,1,0,0,0,0|3,0,0]=4 531 B15R2.286 Cc1cc(no1)CNCc2ccco2 2230a_100000185738_100000199038 [0,1,0,0,0,0|3,0,0]=4 532 B15R2.286 Cc1cc(no1)CNCc2ccco2 270004a_100000185738_100011217994 [0,1,0,0,0,0|3,0,0]=4 533 B15R2.286 Cc1cc(no1)CNCc2ccco2 270004a_100000745230_100000186105 [0,1,0,0,0,0|3,0,0]=4 534 B15R2.286 Cc1cc(no1)CNCc2ccco2 34a_100000185738_100000199038 [0,1,0,0,0,0|3,0,0]=4 535 B15R2.286 Cc1cc(no1)COCc2ccco2 34a_100000210059_100000199038 [0,1,0,0,0,0|2,1,0]=4 536 B15R2.286 Cc1cc(no1)CSCc2ncco2 62a_100000199038_103436540062 [0,1,0,0,0,0|3,0,0]=4 537 B15R2.286 Cc1cc(no1)CSCc2ncco2 62a_103436540062_100000199038 [0,1,0,0,0,0|3,0,0]=4 538 B15R2.286 Cc1cc(ns1)CNCc2ccco2 207a_100000185738_200000100279 [0,1,0,0,0,0|3,0,0]=4 539 B15R2.286 Cc1cc(ns1)CNCc2ccco2 270004a_100000185738_200000100279 [0,1,0,0,0,0|3,0,0]=4 540 B15R2.286 Cc1cc(on1)CNCc2ccco2 207a_100000185738_100011794430 [0,1,0,0,0,0|2,0,0]=3 541 B15R2.286 Cc1cc(on1)CNCc2ccco2 207a_100000745748_100000186105 [0,1,0,0,0,0|2,0,0]=3 542 B15R2.286 Cc1cc(on1)CNCc2ccco2 2230a_100000185738_100000707947 [0,1,0,0,0,0|2,0,0]=3 543 B15R2.286 Cc1cc(on1)CNCc2ccco2 270004a_100000185738_100011794430 [0,1,0,0,0,0|2,0,0]=3 544 B15R2.286 Cc1cc(on1)CNCc2ccco2 270004a_100000745748_100000186105 [0,1,0,0,0,0|2,0,0]=3 545 B15R2.286 Cc1cc(on1)CNCc2ccco2 34a_100000185738_100000707947 [0,1,0,0,0,0|2,0,0]=3 546 B15R2.286 Cc1cc(on1)CNCc2cccs2 207a_100000211653_100011794430 [0,1,0,0,0,0|2,1,0]=4 547 B15R2.286 Cc1cc(on1)CNCc2cccs2 207a_100000745748_100000209959 [0,1,0,0,0,0|2,1,0]=4 548 B15R2.286 Cc1cc(on1)CNCc2cccs2 2230a_100000211653_100000707947 [0,1,0,0,0,0|2,1,0]=4 549 B15R2.286 Cc1cc(on1)CNCc2cccs2 270004a_100000211653_100011794430 [0,1,0,0,0,0|2,1,0]=4 550 B15R2.286 Cc1cc(on1)CNCc2cccs2 270004a_100000745748_100000209959 [0,1,0,0,0,0|2,1,0]=4 551 B15R2.286 Cc1cc(on1)CNCc2cnco2 207a_100020634212_100011794430 [0,1,0,0,0,0|3,0,0]=4 552 B15R2.286 Cc1cc(on1)CNCc2cnco2 270004a_100000745748_100000064291 [0,1,0,0,0,0|3,0,0]=4 553 B15R2.286 Cc1cc(on1)CNCc2cnco2 270004a_100020634212_100011794430 [0,1,0,0,0,0|3,0,0]=4 554 B15R2.286 Cc1cc(on1)CNCc2ncco2 207a_100016994969_100011794430 [0,1,0,0,0,0|3,0,0]=4 555 B15R2.286 Cc1cc(on1)CNCc2ncco2 2230a_100000745748_103436540062 [0,1,0,0,0,0|3,0,0]=4 556 B15R2.286 Cc1cc(on1)CNCc2ncco2 2230a_100016994969_100000707947 [0,1,0,0,0,0|3,0,0]=4 557 B15R2.286 Cc1cc(on1)CNCc2ncco2 270004a_100000745748_100000064290 [0,1,0,0,0,0|3,0,0]=4 558 B15R2.286 Cc1cc(on1)CNCc2ncco2 34a_100000745748_103436540062 [0,1,0,0,0,0|3,0,0]=4 559 B15R2.286 Cc1cc(on1)COCc2ccco2 34a_100000210059_100000707947 [0,1,0,0,0,0|1,1,0]=3 560 B15R2.286 Cc1cc(on1)COCc2cccs2 34a_100000211240_100000707947 [0,1,0,0,0,0|1,2,0]=4 561 B15R2.286 Cc1cc(on1)COCc2ccno2 34a_100000740478_100000707947 [0,1,0,0,0,0|2,1,0]=4 562 B15R2.286 Cc1cc(on1)COCc2ncco2 34a_100000062594_100000707947 [0,1,0,0,0,0|2,1,0]=4 563 B15R2.286 Cc1cc(on1)COCc2ncco2 34a_100000684692_103436540062 [0,1,0,0,0,0|2,1,0]=4 564 B15R2.286 Cc1cc(on1)CSCc2c[nH]cn2 62a_100000707719_100000707947 [0,1,0,0,0,0|3,0,0]=4 565 B15R2.286 Cc1cc(on1)CSCc2c[nH]cn2 62a_100000707947_100000707719 [0,1,0,0,0,0|3,0,0]=4 566 B15R2.286 Cc1cc(on1)CSCc2ccn[nH]2 62a_100000707947_100000728653 [0,1,0,0,0,0|3,0,0]=4 567 B15R2.286 Cc1cc(on1)CSCc2ccn[nH]2 62a_100000728653_100000707947 [0,1,0,0,0,0|3,0,0]=4 568 B15R2.286 Cc1cc(on1)CSCc2ccon2 62a_100000234950_100000707947 [0,1,0,0,0,0|3,0,0]=4 569 B15R2.286 Cc1cc(on1)CSCc2ccon2 62a_100000707947_100000234950 [0,1,0,0,0,0|3,0,0]=4 570 B15R2.286 Cc1cc(on1)CSCc2ccsc2 62a_100000707947_100011233845 [0,1,0,0,0,0|3,0,0]=4 571 B15R2.286 Cc1cc(on1)CSCc2ccsc2 62a_100011261437_100000707947 [0,1,0,0,0,0|3,0,0]=4 572 B15R2.286 Cc1cc(on1)CSCc2cncs2 62a_100000707947_100015185245 [0,1,0,0,0,0|2,1,0]=4 573 B15R2.286 Cc1cc(on1)CSCc2cncs2 62a_100015185245_100000707947 [0,1,0,0,0,0|2,1,0]=4 574 B15R2.286 Cc1cc(on1)CSCc2cscn2 62a_100000205941_100000707947 [0,1,0,0,0,0|3,0,0]=4 575 B15R2.286 Cc1cc(on1)CSCc2cscn2 62a_100000707947_100000205941 [0,1,0,0,0,0|3,0,0]=4 576 B15R2.286 Cc1cc(on1)CSCc2ncc[nH]2 62a_100000707947_100016991755 [0,1,0,0,0,0|3,0,0]=4 577 B15R2.286 Cc1cc(on1)CSCc2ncc[nH]2 62a_100016991755_100000707947 [0,1,0,0,0,0|3,0,0]=4 578 B15R2.286 Cc1cc(on1)CSCc2ncco2 62a_100000707947_103436540062 [0,1,0,0,0,0|2,0,0]=3 579 B15R2.286 Cc1cc(on1)CSCc2ncco2 62a_103436540062_100000707947 [0,1,0,0,0,0|2,0,0]=3 580 B15R2.286 Cc1cc(on1)CSCc2nccs2 62a_100000707947_100015184050 [0,1,0,0,0,0|2,1,0]=4 581 B15R2.286 Cc1cc(on1)CSCc2nccs2 62a_100015184050_100000707947 [0,1,0,0,0,0|2,1,0]=4 582 B15R2.286 Cc1ccc(o1)CNCc2c[nH]cn2 207a_100000758547_100000183696 [0,1,0,0,0,0|3,0,0]=4 583 B15R2.286 Cc1ccc(o1)CNCc2c[nH]cn2 34a_100011194323_100000707719 [0,1,0,0,0,0|3,0,0]=4 584 B15R2.286 Cc1ccc(o1)CNCc2cc[nH]n2 207a_100000739516_100000183696 [0,1,0,0,0,0|3,0,0]=4 585 B15R2.286 Cc1ccc(o1)CNCc2cc[nH]n2 207a_100011194323_100000738523 [0,1,0,0,0,0|3,0,0]=4 586 B15R2.286 Cc1ccc(o1)CNCc2cc[nH]n2 270004a_100011194323_100000738523 [0,1,0,0,0,0|3,0,0]=4 587 B15R2.286 Cc1ccc(o1)CNCc2ccco2 207a_100000185738_100000183696 [0,1,0,0,0,0|1,0,0]=2 588 B15R2.286 Cc1ccc(o1)CNCc2ccco2 207a_100011194323_100000186105 [0,1,0,0,0,0|1,0,0]=2 589 B15R2.286 Cc1ccc(o1)CNCc2ccco2 270004a_100000185738_100000183696 [0,1,0,0,0,0|1,0,0]=2 590 B15R2.286 Cc1ccc(o1)CNCc2ccco2 270004a_100011194323_100000186105 [0,1,0,0,0,0|1,0,0]=2 591 B15R2.286 Cc1ccc(o1)CNCc2cccs2 207a_100000211653_100000183696 [0,1,0,0,0,0|1,1,0]=3 592 B15R2.286 Cc1ccc(o1)CNCc2cccs2 207a_100011194323_100000209959 [0,1,0,0,0,0|1,1,0]=3 593 B15R2.286 Cc1ccc(o1)CNCc2cccs2 270004a_100000211653_100000183696 [0,1,0,0,0,0|1,1,0]=3 594 B15R2.286 Cc1ccc(o1)CNCc2cccs2 270004a_100011194323_100000209959 [0,1,0,0,0,0|1,1,0]=3 595 B15R2.286 Cc1ccc(o1)CNCc2ccn[nH]2 34a_100011194323_100000728653 [0,1,0,0,0,0|3,0,0]=4 596 B15R2.286 Cc1ccc(o1)CNCc2ccoc2 207a_100011194323_100011215517 [0,1,0,0,0,0|3,0,0]=4 597 B15R2.286 Cc1ccc(o1)CNCc2ccoc2 207a_100015206860_100000183696 [0,1,0,0,0,0|3,0,0]=4 598 B15R2.286 Cc1ccc(o1)CNCc2ccoc2 270004a_100011194323_100011215517 [0,1,0,0,0,0|3,0,0]=4 599 B15R2.286 Cc1ccc(o1)CNCc2ccoc2 270004a_100015206860_100000183696 [0,1,0,0,0,0|3,0,0]=4 600 B15R2.286 Cc1ccc(o1)CNCc2ccon2 207a_100000688301_100000183696 [0,1,0,0,0,0|3,0,0]=4 601 B15R2.286 Cc1ccc(o1)CNCc2ccon2 270004a_100000688301_100000183696 [0,1,0,0,0,0|3,0,0]=4 602 B15R2.286 Cc1ccc(o1)CNCc2ccon2 34a_100011194323_100000234950 [0,1,0,0,0,0|3,0,0]=4 603 B15R2.286 Cc1ccc(o1)CNCc2ccsc2 207a_100000186416_100000183696 [0,1,0,0,0,0|3,0,0]=4 604 B15R2.286 Cc1ccc(o1)CNCc2ccsc2 207a_100011194323_100000188534 [0,1,0,0,0,0|3,0,0]=4 605 B15R2.286 Cc1ccc(o1)CNCc2ccsc2 270004a_100000186416_100000183696 [0,1,0,0,0,0|3,0,0]=4 606 B15R2.286 Cc1ccc(o1)CNCc2ccsc2 270004a_100011194323_100000188534 [0,1,0,0,0,0|3,0,0]=4 607 B15R2.286 Cc1ccc(o1)CNCc2ccsc2 34a_100011194323_100011261437 [0,1,0,0,0,0|3,0,0]=4 608 B15R2.286 Cc1ccc(o1)CNCc2cnc[nH]2 207a_100011194323_100000742939 [0,1,0,0,0,0|3,0,0]=4 609 B15R2.286 Cc1ccc(o1)CNCc2cnco2 207a_100020634212_100000183696 [0,1,0,0,0,0|2,0,0]=3 610 B15R2.286 Cc1ccc(o1)CNCc2cnco2 270004a_100011194323_100000064291 [0,1,0,0,0,0|2,0,0]=3 611 B15R2.286 Cc1ccc(o1)CNCc2cnco2 270004a_100020634212_100000183696 [0,1,0,0,0,0|2,0,0]=3 612 B15R2.286 Cc1ccc(o1)CNCc2cncs2 207a_100011194323_100000749870 [0,1,0,0,0,0|2,1,0]=4 613 B15R2.286 Cc1ccc(o1)CNCc2cncs2 207a_100016987365_100000183696 [0,1,0,0,0,0|2,1,0]=4 614 B15R2.286 Cc1ccc(o1)CNCc2cncs2 270004a_100011194323_100000749870 [0,1,0,0,0,0|2,1,0]=4 615 B15R2.286 Cc1ccc(o1)CNCc2cncs2 270004a_100016987365_100000183696 [0,1,0,0,0,0|2,1,0]=4 616 B15R2.286 Cc1ccc(o1)CNCc2cncs2 34a_100011194323_100015185245 [0,1,0,0,0,0|2,1,0]=4 617 B15R2.286 Cc1ccc(o1)CNCc2cocn2 207a_100015188801_100000183696 [0,1,0,0,0,0|3,0,0]=4 618 B15R2.286 Cc1ccc(o1)CNCc2cocn2 270004a_100011194323_100000050382 [0,1,0,0,0,0|3,0,0]=4 619 B15R2.286 Cc1ccc(o1)CNCc2cocn2 270004a_100015188801_100000183696 [0,1,0,0,0,0|3,0,0]=4 620 B15R2.286 Cc1ccc(o1)CNCc2cscn2 207a_100011194323_100000743575 [0,1,0,0,0,0|3,0,0]=4 621 B15R2.286 Cc1ccc(o1)CNCc2cscn2 207a_100015185402_100000183696 [0,1,0,0,0,0|3,0,0]=4 622 B15R2.286 Cc1ccc(o1)CNCc2cscn2 270004a_100011194323_100000743575 [0,1,0,0,0,0|3,0,0]=4 623 B15R2.286 Cc1ccc(o1)CNCc2cscn2 34a_100011194323_100000205941 [0,1,0,0,0,0|3,0,0]=4 624 B15R2.286 Cc1ccc(o1)CNCc2ncc[nH]2 207a_100000754540_100000183696 [0,1,0,0,0,0|3,0,0]=4 625 B15R2.286 Cc1ccc(o1)CNCc2ncc[nH]2 207a_100011194323_100000743867 [0,1,0,0,0,0|3,0,0]=4 626 B15R2.286 Cc1ccc(o1)CNCc2ncc[nH]2 270004a_100000754540_100000183696 [0,1,0,0,0,0|3,0,0]=4 627 B15R2.286 Cc1ccc(o1)CNCc2ncc[nH]2 34a_100011194323_100016991755 [0,1,0,0,0,0|3,0,0]=4 628 B15R2.286 Cc1ccc(o1)CNCc2ncco2 207a_100016994969_100000183696 [0,1,0,0,0,0|2,0,0]=3 629 B15R2.286 Cc1ccc(o1)CNCc2ncco2 270004a_100011194323_100000064290 [0,1,0,0,0,0|2,0,0]=3 630 B15R2.286 Cc1ccc(o1)CNCc2ncco2 34a_100011194323_103436540062 [0,1,0,0,0,0|2,0,0]=3 631 B15R2.286 Cc1ccc(o1)CNCc2nccs2 207a_100000740555_100000183696 [0,1,0,0,0,0|2,1,0]=4 632 B15R2.286 Cc1ccc(o1)CNCc2nccs2 207a_100011194323_100000750902 [0,1,0,0,0,0|2,1,0]=4 633 B15R2.286 Cc1ccc(o1)CNCc2nccs2 270004a_100000740555_100000183696 [0,1,0,0,0,0|2,1,0]=4 634 B15R2.286 Cc1ccc(o1)CNCc2nccs2 270004a_100011194323_100000750902 [0,1,0,0,0,0|2,1,0]=4 635 B15R2.286 Cc1ccc(o1)CNCc2nccs2 34a_100011194323_100015184050 [0,1,0,0,0,0|2,1,0]=4 636 B15R2.286 Cc1ccc(o1)COCc2c[nH]cn2 34a_100011232665_100000707719 [0,1,0,0,0,0|2,1,0]=4 637 B15R2.286 Cc1ccc(o1)COCc2ccn[nH]2 34a_100011232665_100000728653 [0,1,0,0,0,0|2,1,0]=4 638 B15R2.286 Cc1ccc(o1)COCc2ccn[nH]2 7a_100011232665_100000728653 [0,1,0,0,0,0|2,1,0]=4 639 B15R2.286 Cc1ccc(o1)COCc2ccon2 34a_100011232665_100000234950 [0,1,0,0,0,0|2,1,0]=4 640 B15R2.286 Cc1ccc(o1)COCc2ccon2 7a_100011232665_100000234950 [0,1,0,0,0,0|2,1,0]=4 641 B15R2.286 Cc1ccc(o1)COCc2ccsc2 34a_100011232665_100011261437 [0,1,0,0,0,0|2,1,0]=4 642 B15R2.286 Cc1ccc(o1)COCc2ccsc2 7a_100011232665_100011261437 [0,1,0,0,0,0|2,1,0]=4 643 B15R2.286 Cc1ccc(o1)COCc2cncs2 34a_100011232665_100015185245 [0,1,0,0,0,0|1,2,0]=4 644 B15R2.286 Cc1ccc(o1)COCc2cncs2 7a_100011232665_100015185245 [0,1,0,0,0,0|1,2,0]=4 645 B15R2.286 Cc1ccc(o1)COCc2cscn2 34a_100011232665_100000205941 [0,1,0,0,0,0|2,1,0]=4 646 B15R2.286 Cc1ccc(o1)COCc2cscn2 7a_100011232665_100000205941 [0,1,0,0,0,0|2,1,0]=4 647 B15R2.286 Cc1ccc(o1)COCc2ncc[nH]2 34a_100011232665_100016991755 [0,1,0,0,0,0|2,1,0]=4 648 B15R2.286 Cc1ccc(o1)COCc2ncc[nH]2 7a_100011232665_100000753453 [0,1,0,0,0,0|2,1,0]=4 649 B15R2.286 Cc1ccc(o1)COCc2ncco2 34a_100011232665_103436540062 [0,1,0,0,0,0|1,1,0]=3 650 B15R2.286 Cc1ccc(o1)COCc2ncco2 7a_100011232665_103436540062 [0,1,0,0,0,0|1,1,0]=3 651 B15R2.286 Cc1ccc(o1)COCc2nccs2 34a_100011232665_100015184050 [0,1,0,0,0,0|1,2,0]=4 652 B15R2.286 Cc1ccc(o1)COCc2nccs2 7a_100011232665_100015184050 [0,1,0,0,0,0|1,2,0]=4 653 B15R2.286 Cc1ccc(s1)CNCc2ccco2 207a_100000185738_100000211121 [0,1,0,0,0,0|1,1,0]=3 654 B15R2.286 Cc1ccc(s1)CNCc2ccco2 207a_100000238518_100000186105 [0,1,0,0,0,0|1,1,0]=3 655 B15R2.286 Cc1ccc(s1)CNCc2ccco2 270004a_100000185738_100000211121 [0,1,0,0,0,0|1,1,0]=3 656 B15R2.286 Cc1ccc(s1)CNCc2ccco2 270004a_100000238518_100000186105 [0,1,0,0,0,0|1,1,0]=3 657 B15R2.286 Cc1ccc(s1)CNCc2cccs2 207a_100000211653_100000211121 [0,1,0,0,0,0|1,2,0]=4 658 B15R2.286 Cc1ccc(s1)CNCc2cccs2 207a_100000238518_100000209959 [0,1,0,0,0,0|1,2,0]=4 659 B15R2.286 Cc1ccc(s1)CNCc2cccs2 270004a_100000211653_100000211121 [0,1,0,0,0,0|1,2,0]=4 660 B15R2.286 Cc1ccc(s1)CNCc2cccs2 270004a_100000238518_100000209959 [0,1,0,0,0,0|1,2,0]=4 661 B15R2.286 Cc1ccc(s1)CNCc2cnco2 207a_100020634212_100000211121 [0,1,0,0,0,0|2,1,0]=4 662 B15R2.286 Cc1ccc(s1)CNCc2cnco2 270004a_100000238518_100000064291 [0,1,0,0,0,0|2,1,0]=4 663 B15R2.286 Cc1ccc(s1)CNCc2cnco2 270004a_100020634212_100000211121 [0,1,0,0,0,0|2,1,0]=4 664 B15R2.286 Cc1ccc(s1)CNCc2ncco2 207a_100016994969_100000211121 [0,1,0,0,0,0|2,1,0]=4 665 B15R2.286 Cc1ccc(s1)CNCc2ncco2 2230a_100000238518_103436540062 [0,1,0,0,0,0|2,1,0]=4 666 B15R2.286 Cc1ccc(s1)CNCc2ncco2 270004a_100000238518_100000064290 [0,1,0,0,0,0|2,1,0]=4 667 B15R2.286 Cc1ccc(s1)COCc2ncco2 34a_100000238367_103436540062 [0,1,0,0,0,0|1,2,0]=4 668 B15R2.286 Cc1cnc(o1)CNCc2ccco2 207a_100138411809_100000186105 [0,1,0,0,0,0|2,0,0]=3 669 B15R2.286 Cc1cnc(o1)CNCc2cccs2 207a_100138411809_100000209959 [0,1,0,0,0,0|2,1,0]=4 670 B15R2.286 Cc1cnc(o1)CNCc2ncco2 2230a_100138411809_103436540062 [0,1,0,0,0,0|3,0,0]=4 671 B15R2.286 Cc1cnc(o1)CNCc2ncco2 34a_100138411809_103436540062 [0,1,0,0,0,0|3,0,0]=4 672 B15R2.286 Cc1cnc(s1)CNCc2ccco2 207a_100000185738_100011361622 [0,1,0,0,0,0|2,1,0]=4 673 B15R2.286 Cc1cnc(s1)CNCc2ccco2 270004a_100000185738_100011361622 [0,1,0,0,0,0|2,1,0]=4 674 B15R2.286 Cc1csc(c1)CNCc2ccco2 207a_100000185738_100102525248 [0,1,0,0,0,0|1,1,0]=3 675 B15R2.286 Cc1csc(c1)CNCc2ccco2 207a_100015204214_100000186105 [0,1,0,0,0,0|1,1,0]=3 676 B15R2.286 Cc1csc(c1)CNCc2ccco2 270004a_100000185738_100102525248 [0,1,0,0,0,0|1,1,0]=3 677 B15R2.286 Cc1csc(c1)CNCc2ccco2 270004a_100015204214_100000186105 [0,1,0,0,0,0|1,1,0]=3 678 B15R2.286 Cc1csc(c1)CNCc2cccs2 207a_100000211653_100102525248 [0,1,0,0,0,0|1,2,0]=4 679 B15R2.286 Cc1csc(c1)CNCc2cccs2 207a_100015204214_100000209959 [0,1,0,0,0,0|1,2,0]=4 680 B15R2.286 Cc1csc(c1)CNCc2cccs2 270004a_100000211653_100102525248 [0,1,0,0,0,0|1,2,0]=4 681 B15R2.286 Cc1csc(c1)CNCc2cccs2 270004a_100015204214_100000209959 [0,1,0,0,0,0|1,2,0]=4 682 B15R2.286 Cc1csc(c1)CNCc2cnco2 207a_100020634212_100102525248 [0,1,0,0,0,0|2,1,0]=4 683 B15R2.286 Cc1csc(c1)CNCc2cnco2 270004a_100015204214_100000064291 [0,1,0,0,0,0|2,1,0]=4 684 B15R2.286 Cc1csc(c1)CNCc2cnco2 270004a_100020634212_100102525248 [0,1,0,0,0,0|2,1,0]=4 685 B15R2.286 Cc1csc(c1)CNCc2ncco2 207a_100016994969_100102525248 [0,1,0,0,0,0|2,1,0]=4 686 B15R2.286 Cc1csc(c1)CNCc2ncco2 2230a_100015204214_103436540062 [0,1,0,0,0,0|2,1,0]=4 687 B15R2.286 Cc1csc(c1)CNCc2ncco2 270004a_100015204214_100000064290 [0,1,0,0,0,0|2,1,0]=4 688 B15R2.286 Cc1csc(c1)CNCc2ncco2 34a_100015204214_103436540062 [0,1,0,0,0,0|2,1,0]=4 689 B15R2.286 Cc1csc(c1)COCc2ncco2 34a_200000068372_103436540062 [0,1,0,0,0,0|1,2,0]=4 690 B15R2.286 Cc1csc(c1)COCc2ncco2 7a_200000068372_103436540062 [0,1,0,0,0,0|1,2,0]=4 691 B15R2.286 Cc1csc(n1)CNCc2ccco2 207a_100000185738_100000756994 [0,1,0,0,0,0|2,1,0]=4 692 B15R2.286 Cc1csc(n1)CNCc2ccco2 207a_100015183719_100000186105 [0,1,0,0,0,0|2,1,0]=4 693 B15R2.286 Cc1csc(n1)CNCc2ccco2 270004a_100000185738_100000756994 [0,1,0,0,0,0|2,1,0]=4 694 B15R2.286 Cc1csc(n1)CNCc2ccco2 270004a_100015183719_100000186105 [0,1,0,0,0,0|2,1,0]=4 695 B15R2.286 Cc1nc(c[nH]1)CNCc2ccco2 207a_100000185738_100011219055 [0,1,0,0,0,0|3,0,0]=4 696 B15R2.286 Cc1nc(co1)CNCc2ccco2 207a_100000185738_100011361629 [0,1,0,0,0,0|3,0,0]=4 697 B15R2.286 Cc1nc(co1)CNCc2ccco2 270004a_100000185738_100011361629 [0,1,0,0,0,0|3,0,0]=4 698 B15R2.286 Cc1nc(cs1)CNCc2ccco2 207a_100000185738_100000203724 [0,1,0,0,0,0|3,0,0]=4 699 B15R2.286 Cc1nc(cs1)CNCc2ccco2 207a_100000707933_100000186105 [0,1,0,0,0,0|3,0,0]=4 700 B15R2.286 Cc1nc(cs1)CNCc2ccco2 2230a_100000185738_100015186478 [0,1,0,0,0,0|3,0,0]=4 701 B15R2.286 Cc1nc(cs1)CNCc2ccco2 270004a_100000185738_100000203724 [0,1,0,0,0,0|3,0,0]=4 702 B15R2.286 Cc1nc(cs1)CNCc2ccco2 34a_100000185738_100015186478 [0,1,0,0,0,0|3,0,0]=4 703 B15R2.286 Cc1nc(cs1)COCc2ccco2 34a_100000210059_100015186478 [0,1,0,0,0,0|2,1,0]=4 704 B15R2.286 Cc1nc(cs1)CSCc2ncco2 62a_100015186478_103436540062 [0,1,0,0,0,0|3,0,0]=4 705 B15R2.286 Cc1nc(cs1)CSCc2ncco2 62a_103436540062_100015186478 [0,1,0,0,0,0|3,0,0]=4 706 B15R2.286 Cc1ncc(o1)CNCc2ccco2 207a_100000185738_100000084308 [0,1,0,0,0,0|2,0,0]=3 707 B15R2.286 Cc1ncc(o1)CNCc2ccco2 270004a_100000185738_100000084308 [0,1,0,0,0,0|2,0,0]=3 708 B15R2.286 Cc1ncc(o1)CNCc2cccs2 207a_100000211653_100000084308 [0,1,0,0,0,0|2,1,0]=4 709 B15R2.286 Cc1ncc(o1)CNCc2cccs2 270004a_100000211653_100000084308 [0,1,0,0,0,0|2,1,0]=4 710 B15R2.286 Cc1ncc(o1)CNCc2cnco2 207a_100020634212_100000084308 [0,1,0,0,0,0|3,0,0]=4 711 B15R2.286 Cc1ncc(o1)CNCc2cnco2 270004a_100020634212_100000084308 [0,1,0,0,0,0|3,0,0]=4 712 B15R2.286 Cc1ncc(o1)CNCc2ncco2 207a_100016994969_100000084308 [0,1,0,0,0,0|3,0,0]=4 713 B15R2.286 Cc1ncc(s1)CNCc2ccco2 207a_100000185738_100000740557 [0,1,0,0,0,0|2,1,0]=4 714 B15R2.286 Cc1ncc(s1)CNCc2ccco2 207a_200000743601_100000186105 [0,1,0,0,0,0|2,1,0]=4 715 B15R2.286 Cc1ncc(s1)CNCc2ccco2 2230a_100000185738_100020635045 [0,1,0,0,0,0|2,1,0]=4 716 B15R2.286 Cc1ncc(s1)CNCc2ccco2 270004a_100000185738_100000740557 [0,1,0,0,0,0|2,1,0]=4 717 B15R2.286 Cc1ncc(s1)CNCc2ccco2 270004a_200000743601_100000186105 [0,1,0,0,0,0|2,1,0]=4 718 B15R2.286 Cc1ncc(s1)CNCc2ccco2 34a_100000185738_100020635045 [0,1,0,0,0,0|2,1,0]=4 719 B15R2.286 Cc1ncc(s1)COCc2ccco2 34a_100000210059_100020635045 [0,1,0,0,0,0|1,2,0]=4 720 B15R2.286 Cc1ncc(s1)CSCc2ncco2 62a_100020635045_103436540062 [0,1,0,0,0,0|2,1,0]=4 721 B15R2.286 Cc1ncc(s1)CSCc2ncco2 62a_103436540062_100020635045 [0,1,0,0,0,0|2,1,0]=4 722 B15R2.286 Cc1nnc(o1)CNCc2ccco2 2230a_100000185738_100000181450 [0,1,0,0,0,0|3,0,0]=4 723 B15R2.286 Cc1nnc(o1)CSCc2ncco2 62a_100000181450_103436540062 [0,1,0,0,0,0|3,0,0]=4 724 B15R2.286 Cc1nnc(o1)CSCc2ncco2 62a_103436540062_100000181450 [0,1,0,0,0,0|3,0,0]=4 725 B15R2.286 Cc1noc(n1)CNCc2ccco2 2230a_100000185738_100000735555 [0,1,0,0,0,0|3,0,0]=4 726 B15R2.286 Cc1noc(n1)CNCc2ccco2 34a_100000185738_100000735555 [0,1,0,0,0,0|3,0,0]=4 727 B15R2.286 Cc1noc(n1)COCc2ccco2 34a_100000210059_100000735555 [0,1,0,0,0,0|2,1,0]=4 728 B15R2.286 Cc1noc(n1)CSCc2ncco2 62a_100000735555_103436540062 [0,1,0,0,0,0|3,0,0]=4 729 B15R2.286 Cc1noc(n1)CSCc2ncco2 62a_103436540062_100000735555 [0,1,0,0,0,0|3,0,0]=4 730 B15R2.286 Clc1cc(cs1)CNCc2ccco2 207a_100000185738_100009844934 [0,1,0,0,0,0|3,0,0]=4 731 B15R2.286 Clc1cc(cs1)CNCc2ccco2 270004a_100000185738_100009844934 [0,1,0,0,0,0|3,0,0]=4 732 B15R2.286 Clc1ccc(o1)CNCc2c[nH]cn2 207a_100000758547_100000188459 [0,1,0,0,0,0|3,0,0]=4 733 B15R2.286 Clc1ccc(o1)CNCc2cc[nH]n2 207a_100000739516_100000188459 [0,1,0,0,0,0|3,0,0]=4 734 B15R2.286 Clc1ccc(o1)CNCc2ccco2 207a_100000185738_100000188459 [0,1,0,0,0,0|1,0,0]=2 735 B15R2.286 Clc1ccc(o1)CNCc2ccco2 270004a_100000185738_100000188459 [0,1,0,0,0,0|1,0,0]=2 736 B15R2.286 Clc1ccc(o1)CNCc2cccs2 207a_100000211653_100000188459 [0,1,0,0,0,0|1,1,0]=3 737 B15R2.286 Clc1ccc(o1)CNCc2cccs2 270004a_100000211653_100000188459 [0,1,0,0,0,0|1,1,0]=3 738 B15R2.286 Clc1ccc(o1)CNCc2ccoc2 207a_100015206860_100000188459 [0,1,0,0,0,0|3,0,0]=4 739 B15R2.286 Clc1ccc(o1)CNCc2ccoc2 270004a_100015206860_100000188459 [0,1,0,0,0,0|3,0,0]=4 740 B15R2.286 Clc1ccc(o1)CNCc2ccon2 207a_100000688301_100000188459 [0,1,0,0,0,0|3,0,0]=4 741 B15R2.286 Clc1ccc(o1)CNCc2ccon2 270004a_100000688301_100000188459 [0,1,0,0,0,0|3,0,0]=4 742 B15R2.286 Clc1ccc(o1)CNCc2ccsc2 207a_100000186416_100000188459 [0,1,0,0,0,0|3,0,0]=4 743 B15R2.286 Clc1ccc(o1)CNCc2ccsc2 270004a_100000186416_100000188459 [0,1,0,0,0,0|3,0,0]=4 744 B15R2.286 Clc1ccc(o1)CNCc2cnco2 207a_100020634212_100000188459 [0,1,0,0,0,0|2,0,0]=3 745 B15R2.286 Clc1ccc(o1)CNCc2cnco2 270004a_100020634212_100000188459 [0,1,0,0,0,0|2,0,0]=3 746 B15R2.286 Clc1ccc(o1)CNCc2cncs2 207a_100016987365_100000188459 [0,1,0,0,0,0|2,1,0]=4 747 B15R2.286 Clc1ccc(o1)CNCc2cncs2 270004a_100016987365_100000188459 [0,1,0,0,0,0|2,1,0]=4 748 B15R2.286 Clc1ccc(o1)CNCc2cocn2 207a_100015188801_100000188459 [0,1,0,0,0,0|3,0,0]=4 749 B15R2.286 Clc1ccc(o1)CNCc2cocn2 270004a_100015188801_100000188459 [0,1,0,0,0,0|3,0,0]=4 750 B15R2.286 Clc1ccc(o1)CNCc2cscn2 207a_100015185402_100000188459 [0,1,0,0,0,0|3,0,0]=4 751 B15R2.286 Clc1ccc(o1)CNCc2ncc[nH]2 207a_100000754540_100000188459 [0,1,0,0,0,0|3,0,0]=4 752 B15R2.286 Clc1ccc(o1)CNCc2ncc[nH]2 270004a_100000754540_100000188459 [0,1,0,0,0,0|3,0,0]=4 753 B15R2.286 Clc1ccc(o1)CNCc2ncco2 207a_100016994969_100000188459 [0,1,0,0,0,0|2,0,0]=3 754 B15R2.286 Clc1ccc(o1)CNCc2nccs2 207a_100000740555_100000188459 [0,1,0,0,0,0|2,1,0]=4 755 B15R2.286 Clc1ccc(o1)CNCc2nccs2 270004a_100000740555_100000188459 [0,1,0,0,0,0|2,1,0]=4 756 B15R2.286 Clc1ccc(s1)CNCc2ccco2 207a_100000185738_100000242774 [0,1,0,0,0,0|1,1,0]=3 757 B15R2.286 Clc1ccc(s1)CNCc2ccco2 207a_100000737310_100000186105 [0,1,0,0,0,0|1,1,0]=3 758 B15R2.286 Clc1ccc(s1)CNCc2ccco2 2230a_100000185738_100000185097 [0,1,0,0,0,0|1,1,0]=3 759 B15R2.286 Clc1ccc(s1)CNCc2ccco2 270004a_100000185738_100000242774 [0,1,0,0,0,0|1,1,0]=3 760 B15R2.286 Clc1ccc(s1)CNCc2ccco2 270004a_100000737310_100000186105 [0,1,0,0,0,0|1,1,0]=3 761 B15R2.286 Clc1ccc(s1)CNCc2ccco2 34a_100000185738_100000185097 [0,1,0,0,0,0|1,1,0]=3 762 B15R2.286 Clc1ccc(s1)CNCc2cccs2 207a_100000211653_100000242774 [0,1,0,0,0,0|1,2,0]=4 763 B15R2.286 Clc1ccc(s1)CNCc2cccs2 207a_100000737310_100000209959 [0,1,0,0,0,0|1,2,0]=4 764 B15R2.286 Clc1ccc(s1)CNCc2cccs2 2230a_100000211653_100000185097 [0,1,0,0,0,0|1,2,0]=4 765 B15R2.286 Clc1ccc(s1)CNCc2cccs2 270004a_100000211653_100000242774 [0,1,0,0,0,0|1,2,0]=4 766 B15R2.286 Clc1ccc(s1)CNCc2cccs2 270004a_100000737310_100000209959 [0,1,0,0,0,0|1,2,0]=4 767 B15R2.286 Clc1ccc(s1)CNCc2cnco2 207a_100020634212_100000242774 [0,1,0,0,0,0|2,1,0]=4 768 B15R2.286 Clc1ccc(s1)CNCc2cnco2 270004a_100000737310_100000064291 [0,1,0,0,0,0|2,1,0]=4 769 B15R2.286 Clc1ccc(s1)CNCc2cnco2 270004a_100020634212_100000242774 [0,1,0,0,0,0|2,1,0]=4 770 B15R2.286 Clc1ccc(s1)CNCc2ncco2 207a_100016994969_100000242774 [0,1,0,0,0,0|2,1,0]=4 771 B15R2.286 Clc1ccc(s1)CNCc2ncco2 2230a_100000737310_103436540062 [0,1,0,0,0,0|2,1,0]=4 772 B15R2.286 Clc1ccc(s1)CNCc2ncco2 2230a_100016994969_100000185097 [0,1,0,0,0,0|2,1,0]=4 773 B15R2.286 Clc1ccc(s1)CNCc2ncco2 270004a_100000737310_100000064290 [0,1,0,0,0,0|2,1,0]=4 774 B15R2.286 Clc1ccc(s1)COCc2ccco2 34a_100000210059_100000185097 [0,1,0,0,0,0|0,2,0]=3 775 B15R2.286 Clc1ccc(s1)COCc2cccs2 34a_100000211240_100000185097 [0,1,0,0,0,0|0,3,0]=4 776 B15R2.286 Clc1ccc(s1)COCc2ccno2 34a_100000740478_100000185097 [0,1,0,0,0,0|1,2,0]=4 777 B15R2.286 Clc1ccc(s1)COCc2ncco2 34a_100000062594_100000185097 [0,1,0,0,0,0|1,2,0]=4 778 B15R2.286 Clc1ccc(s1)CSCc2c[nH]cn2 62a_100000185097_100000707719 [0,1,0,0,0,0|2,1,0]=4 779 B15R2.286 Clc1ccc(s1)CSCc2c[nH]cn2 62a_100000707719_100000185097 [0,1,0,0,0,0|2,1,0]=4 780 B15R2.286 Clc1ccc(s1)CSCc2ccn[nH]2 62a_100000185097_100000728653 [0,1,0,0,0,0|2,1,0]=4 781 B15R2.286 Clc1ccc(s1)CSCc2ccn[nH]2 62a_100000728653_100000185097 [0,1,0,0,0,0|2,1,0]=4 782 B15R2.286 Clc1ccc(s1)CSCc2ccon2 62a_100000185097_100000234950 [0,1,0,0,0,0|2,1,0]=4 783 B15R2.286 Clc1ccc(s1)CSCc2ccon2 62a_100000234950_100000185097 [0,1,0,0,0,0|2,1,0]=4 784 B15R2.286 Clc1ccc(s1)CSCc2ccsc2 62a_100000185097_100011233845 [0,1,0,0,0,0|2,1,0]=4 785 B15R2.286 Clc1ccc(s1)CSCc2ccsc2 62a_100011261437_100000185097 [0,1,0,0,0,0|2,1,0]=4 786 B15R2.286 Clc1ccc(s1)CSCc2cncs2 62a_100000185097_100015185245 [0,1,0,0,0,0|1,2,0]=4 787 B15R2.286 Clc1ccc(s1)CSCc2cncs2 62a_100015185245_100000185097 [0,1,0,0,0,0|1,2,0]=4 788 B15R2.286 Clc1ccc(s1)CSCc2cscn2 62a_100000185097_100000205941 [0,1,0,0,0,0|2,1,0]=4 789 B15R2.286 Clc1ccc(s1)CSCc2cscn2 62a_100000205941_100000185097 [0,1,0,0,0,0|2,1,0]=4 790 B15R2.286 Clc1ccc(s1)CSCc2ncc[nH]2 62a_100000185097_100016991755 [0,1,0,0,0,0|2,1,0]=4 791 B15R2.286 Clc1ccc(s1)CSCc2ncc[nH]2 62a_100016991755_100000185097 [0,1,0,0,0,0|2,1,0]=4 792 B15R2.286 Clc1ccc(s1)CSCc2ncco2 62a_100000185097_103436540062 [0,1,0,0,0,0|1,1,0]=3 793 B15R2.286 Clc1ccc(s1)CSCc2ncco2 62a_103436540062_100000185097 [0,1,0,0,0,0|1,1,0]=3 794 B15R2.286 Clc1ccc(s1)CSCc2nccs2 62a_100000185097_100015184050 [0,1,0,0,0,0|1,2,0]=4 795 B15R2.286 Clc1ccc(s1)CSCc2nccs2 62a_100015184050_100000185097 [0,1,0,0,0,0|1,2,0]=4 796 B15R2.286 Clc1cnc(s1)CNCc2ccco2 270004a_100000185738_100000699884 [0,1,0,0,0,0|2,1,0]=4 797 B15R2.286 Clc1csc(c1)CNCc2ccco2 207a_100000185738_100000102487 [0,1,0,0,0,0|1,1,0]=3 798 B15R2.286 Clc1csc(c1)CNCc2ccco2 270004a_100000185738_100000102487 [0,1,0,0,0,0|1,1,0]=3 799 B15R2.286 Clc1csc(c1)CNCc2cccs2 207a_100000211653_100000102487 [0,1,0,0,0,0|1,2,0]=4 800 B15R2.286 Clc1csc(c1)CNCc2cccs2 270004a_100000211653_100000102487 [0,1,0,0,0,0|1,2,0]=4 801 B15R2.286 Clc1csc(c1)CNCc2cnco2 207a_100020634212_100000102487 [0,1,0,0,0,0|2,1,0]=4 802 B15R2.286 Clc1csc(c1)CNCc2cnco2 270004a_100020634212_100000102487 [0,1,0,0,0,0|2,1,0]=4 803 B15R2.286 Clc1csc(c1)CNCc2ncco2 207a_100016994969_100000102487 [0,1,0,0,0,0|2,1,0]=4 804 B15R2.286 Clc1nc(cs1)CNCc2ccco2 2230a_100000185738_100000024076 [0,1,0,0,0,0|3,0,0]=4 805 B15R2.286 Clc1nc(cs1)CNCc2ccco2 270004a_100000185738_100011935135 [0,1,0,0,0,0|3,0,0]=4 806 B15R2.286 Clc1nc(cs1)CNCc2ccco2 34a_100000185738_100000024076 [0,1,0,0,0,0|3,0,0]=4 807 B15R2.286 Clc1nc(cs1)COCc2ccco2 34a_100000210059_100000024076 [0,1,0,0,0,0|2,1,0]=4 808 B15R2.286 Clc1nc(cs1)CSCc2ncco2 62a_100000024076_103436540062 [0,1,0,0,0,0|3,0,0]=4 809 B15R2.286 Clc1nc(cs1)CSCc2ncco2 62a_103436540062_100000024076 [0,1,0,0,0,0|3,0,0]=4 810 B15R2.286 Clc1ncc(s1)CNCc2ccco2 207a_100000726635_100000186105 [0,1,0,0,0,0|2,1,0]=4 811 B15R2.286 Clc1ncc(s1)CNCc2ccco2 2230a_100000185738_100000058068 [0,1,0,0,0,0|2,1,0]=4 812 B15R2.286 Clc1ncc(s1)CNCc2ccco2 270004a_100000185738_100000696999 [0,1,0,0,0,0|2,1,0]=4 813 B15R2.286 Clc1ncc(s1)CNCc2ccco2 270004a_100000726635_100000186105 [0,1,0,0,0,0|2,1,0]=4 814 B15R2.286 Clc1ncc(s1)CNCc2ccco2 34a_100000185738_100000058068 [0,1,0,0,0,0|2,1,0]=4 815 B15R2.286 Clc1ncc(s1)COCc2ccco2 34a_100000210059_100000058068 [0,1,0,0,0,0|1,2,0]=4 816 B15R2.286 Clc1ncc(s1)CSCc2ncco2 62a_100000058068_103436540062 [0,1,0,0,0,0|2,1,0]=4 817 B15R2.286 Clc1ncc(s1)CSCc2ncco2 62a_103436540062_100000058068 [0,1,0,0,0,0|2,1,0]=4 818 B15R2.286 Cn1ccc(n1)CNCc2ccco2 207a_100000185738_100000750880 [0,1,0,0,0,0|3,0,0]=4 819 B15R2.286 Cn1ccc(n1)CNCc2ccco2 207a_100020636201_100000186105 [0,1,0,0,0,0|3,0,0]=4 820 B15R2.286 Cn1ccc(n1)CNCc2ccco2 2230a_100000185738_100000726502 [0,1,0,0,0,0|3,0,0]=4 821 B15R2.286 Cn1ccc(n1)CNCc2ccco2 270004a_100000185738_100000750880 [0,1,0,0,0,0|3,0,0]=4 822 B15R2.286 Cn1ccc(n1)CNCc2ccco2 270004a_100020636201_100000186105 [0,1,0,0,0,0|3,0,0]=4 823 B15R2.286 Cn1ccc(n1)CNCc2ccco2 34a_100000185738_100000726502 [0,1,0,0,0,0|3,0,0]=4 824 B15R2.286 Cn1ccc(n1)COCc2ccco2 34a_100000210059_100000726502 [0,1,0,0,0,0|2,1,0]=4 825 B15R2.286 Cn1ccc(n1)CSCc2ncco2 62a_100000726502_103436540062 [0,1,0,0,0,0|3,0,0]=4 826 B15R2.286 Cn1ccc(n1)CSCc2ncco2 62a_103436540062_100000726502 [0,1,0,0,0,0|3,0,0]=4 827 B15R2.286 Cn1cnc(c1)CNCc2ccco2 207a_100000185738_100000684808 [0,1,0,0,0,0|3,0,0]=4 828 B15R2.286 Cn1cnc(c1)CNCc2ccco2 207a_100011834058_100000186105 [0,1,0,0,0,0|3,0,0]=4 829 B15R2.286 Cn1cnc(c1)CNCc2ccco2 2230a_100000185738_100000717665 [0,1,0,0,0,0|3,0,0]=4 830 B15R2.286 Cn1cnc(c1)CNCc2ccco2 270004a_100000185738_100000684808 [0,1,0,0,0,0|3,0,0]=4 831 B15R2.286 Cn1cnc(c1)CNCc2ccco2 270004a_100011834058_100000186105 [0,1,0,0,0,0|3,0,0]=4 832 B15R2.286 Cn1cnc(c1)CNCc2ccco2 34a_100000185738_100000717665 [0,1,0,0,0,0|3,0,0]=4 833 B15R2.286 Cn1cnc(c1)COCc2ccco2 34a_100000210059_100000717665 [0,1,0,0,0,0|2,1,0]=4 834 B15R2.286 Cn1cnc(c1)CSCc2ncco2 62a_100000717665_103436540062 [0,1,0,0,0,0|3,0,0]=4 835 B15R2.286 Cn1cnc(c1)CSCc2ncco2 62a_103436540062_100000717665 [0,1,0,0,0,0|3,0,0]=4 836 B15R2.286 Ic1ccc(o1)CNCc2c[nH]cn2 207a_100000758547_100000186757 [0,1,0,0,0,0|3,0,0]=4 837 B15R2.286 Ic1ccc(o1)CNCc2cc[nH]n2 207a_100000739516_100000186757 [0,1,0,0,0,0|3,0,0]=4 838 B15R2.286 Ic1ccc(o1)CNCc2ccco2 207a_100000185738_100000186757 [0,1,0,0,0,0|1,0,0]=2 839 B15R2.286 Ic1ccc(o1)CNCc2cccs2 207a_100000211653_100000186757 [0,1,0,0,0,0|1,1,0]=3 840 B15R2.286 Ic1ccc(o1)CNCc2ccoc2 207a_100015206860_100000186757 [0,1,0,0,0,0|3,0,0]=4 841 B15R2.286 Ic1ccc(o1)CNCc2ccon2 207a_100000688301_100000186757 [0,1,0,0,0,0|3,0,0]=4 842 B15R2.286 Ic1ccc(o1)CNCc2ccsc2 207a_100000186416_100000186757 [0,1,0,0,0,0|3,0,0]=4 843 B15R2.286 Ic1ccc(o1)CNCc2cnco2 207a_100020634212_100000186757 [0,1,0,0,0,0|2,0,0]=3 844 B15R2.286 Ic1ccc(o1)CNCc2cncs2 207a_100016987365_100000186757 [0,1,0,0,0,0|2,1,0]=4 845 B15R2.286 Ic1ccc(o1)CNCc2cocn2 207a_100015188801_100000186757 [0,1,0,0,0,0|3,0,0]=4 846 B15R2.286 Ic1ccc(o1)CNCc2cscn2 207a_100015185402_100000186757 [0,1,0,0,0,0|3,0,0]=4 847 B15R2.286 Ic1ccc(o1)CNCc2ncc[nH]2 207a_100000754540_100000186757 [0,1,0,0,0,0|3,0,0]=4 848 B15R2.286 Ic1ccc(o1)CNCc2ncco2 207a_100016994969_100000186757 [0,1,0,0,0,0|2,0,0]=3 849 B15R2.286 Ic1ccc(o1)CNCc2nccs2 207a_100000740555_100000186757 [0,1,0,0,0,0|2,1,0]=4 850 B15R2.286 Ic1csc(c1)CNCc2ccco2 207a_100000185738_100010179861 [0,1,0,0,0,0|1,1,0]=3 851 B15R2.286 Ic1csc(c1)CNCc2cccs2 207a_100000211653_100010179861 [0,1,0,0,0,0|1,2,0]=4 852 B15R2.286 Ic1csc(c1)CNCc2cnco2 207a_100020634212_100010179861 [0,1,0,0,0,0|2,1,0]=4 853 B15R2.286 Ic1csc(c1)CNCc2ncco2 207a_100016994969_100010179861 [0,1,0,0,0,0|2,1,0]=4 854 B15R2.286 O=C1C=C(CO1)CNCc2ccco2 34a_100000185738_100000716558 [0,1,0,0,0,0|3,0,0]=4 855 B15R2.286 O=C1C=C(CO1)COCc2ccco2 34a_100000210059_100000716558 [0,1,0,0,0,0|2,1,0]=4 856 B15R2.286 O=C1C=C(CO1)CSCc2ncco2 62a_100000716558_103436540062 [0,1,0,0,0,0|3,0,0]=4 857 B15R2.286 O=C1C=C(CO1)CSCc2ncco2 62a_103436540062_100000716558 [0,1,0,0,0,0|3,0,0]=4 858 B15R2.404 Brc1ccoc1CNCc2ccco2 270004a_100000185738_100000756499 [0,1,0,0,0,0|1,0,0]=2 859 B15R2.404 Brc1ccoc1CNCc2cccs2 270004a_100000211653_100000756499 [0,1,0,0,0,0|1,1,0]=3 860 B15R2.404 Brc1ccoc1CNCc2ccoc2 270004a_100015206860_100000756499 [0,1,0,0,0,0|3,0,0]=4 861 B15R2.404 Brc1ccoc1CNCc2ccon2 270004a_100000688301_100000756499 [0,1,0,0,0,0|3,0,0]=4 862 B15R2.404 Brc1ccoc1CNCc2ccsc2 270004a_100000186416_100000756499 [0,1,0,0,0,0|3,0,0]=4 863 B15R2.404 Brc1ccoc1CNCc2cnco2 270004a_100020634212_100000756499 [0,1,0,0,0,0|2,0,0]=3 864 B15R2.404 Brc1ccoc1CNCc2cncs2 270004a_100016987365_100000756499 [0,1,0,0,0,0|2,1,0]=4 865 B15R2.404 Brc1ccoc1CNCc2cocn2 270004a_100015188801_100000756499 [0,1,0,0,0,0|3,0,0]=4 866 B15R2.404 Brc1ccoc1CNCc2ncc[nH]2 270004a_100000754540_100000756499 [0,1,0,0,0,0|3,0,0]=4 867 B15R2.404 Brc1ccoc1CNCc2nccs2 270004a_100000740555_100000756499 [0,1,0,0,0,0|2,1,0]=4 868 B15R2.404 Brc1ccsc1CNCc2ccco2 207a_100000185738_100000766043 [0,1,0,0,0,0|1,1,0]=3 869 B15R2.404 Brc1ccsc1CNCc2ccco2 270004a_100000185738_100000766043 [0,1,0,0,0,0|1,1,0]=3 870 B15R2.404 Brc1ccsc1CNCc2cccs2 207a_100000211653_100000766043 [0,1,0,0,0,0|1,2,0]=4 871 B15R2.404 Brc1ccsc1CNCc2cccs2 270004a_100000211653_100000766043 [0,1,0,0,0,0|1,2,0]=4 872 B15R2.404 Brc1ccsc1CNCc2cnco2 207a_100020634212_100000766043 [0,1,0,0,0,0|2,1,0]=4 873 B15R2.404 Brc1ccsc1CNCc2cnco2 270004a_100020634212_100000766043 [0,1,0,0,0,0|2,1,0]=4 874 B15R2.404 Brc1ccsc1CNCc2ncco2 207a_100016994969_100000766043 [0,1,0,0,0,0|2,1,0]=4 875 B15R2.404 Brc1ccsc1COCc2ncco2 34a_100000702026_103436540062 [0,1,0,0,0,0|1,2,0]=4 876 B15R2.404 Brc1cn[nH]c1CNCc2ccco2 207a_100000185738_100000732679 [0,1,0,0,0,0|3,0,0]=4 877 B15R2.404 Brc1cn[nH]c1CNCc2ccco2 270004a_100000185738_100000732679 [0,1,0,0,0,0|3,0,0]=4 878 B15R2.404 Brc1cscc1CNCc2ccco2 207a_100000185738_100000685484 [0,1,0,0,0,0|3,0,0]=4 879 B15R2.404 Brc1cscc1CNCc2ccco2 270004a_100000185738_100000685484 [0,1,0,0,0,0|3,0,0]=4 880 B15R2.404 Brc1sccc1CNCc2ccco2 207a_100000185738_100009816921 [0,1,0,0,0,0|3,0,0]=4 881 B15R2.404 Brc1sccc1CNCc2ccco2 207a_100000727803_100000186105 [0,1,0,0,0,0|3,0,0]=4 882 B15R2.404 Brc1sccc1CNCc2ccco2 2230a_100000185738_100009814289 [0,1,0,0,0,0|3,0,0]=4 883 B15R2.404 Brc1sccc1CNCc2ccco2 270004a_100000185738_100009816921 [0,1,0,0,0,0|3,0,0]=4 884 B15R2.404 Brc1sccc1CNCc2ccco2 270004a_100000727803_100000186105 [0,1,0,0,0,0|3,0,0]=4 885 B15R2.404 Brc1sccc1CNCc2ccco2 34a_100000185738_100009814289 [0,1,0,0,0,0|3,0,0]=4 886 B15R2.404 Brc1sccc1COCc2ccco2 34a_100000210059_100009814289 [0,1,0,0,0,0|2,1,0]=4 887 B15R2.404 Brc1sccc1CSCc2ncco2 62a_100009814289_103436540062 [0,1,0,0,0,0|3,0,0]=4 888 B15R2.404 Brc1sccc1CSCc2ncco2 62a_103436540062_100009814289 [0,1,0,0,0,0|3,0,0]=4 889 B15R2.404 Cc1[nH]cnc1CNCc2ccco2 207a_100000185738_100000032982 [0,1,0,0,0,0|3,0,0]=4 890 B15R2.404 Cc1[nH]cnc1CNCc2ccco2 2230a_100000185738_100000751220 [0,1,0,0,0,0|3,0,0]=4 891 B15R2.404 Cc1[nH]cnc1CSCc2ncco2 62a_100000751220_103436540062 [0,1,0,0,0,0|3,0,0]=4 892 B15R2.404 Cc1[nH]cnc1CSCc2ncco2 62a_103436540062_100000751220 [0,1,0,0,0,0|3,0,0]=4 893 B15R2.404 Cc1ccoc1CNCc2c[nH]cn2 207a_100000758547_100000763527 [0,1,0,0,0,0|3,0,0]=4 894 B15R2.404 Cc1ccoc1CNCc2cc[nH]n2 207a_100000739516_100000763527 [0,1,0,0,0,0|3,0,0]=4 895 B15R2.404 Cc1ccoc1CNCc2ccco2 207a_100000185738_100000763527 [0,1,0,0,0,0|1,0,0]=2 896 B15R2.404 Cc1ccoc1CNCc2ccco2 270004a_100000185738_100000763527 [0,1,0,0,0,0|1,0,0]=2 897 B15R2.404 Cc1ccoc1CNCc2cccs2 207a_100000211653_100000763527 [0,1,0,0,0,0|1,1,0]=3 898 B15R2.404 Cc1ccoc1CNCc2cccs2 270004a_100000211653_100000763527 [0,1,0,0,0,0|1,1,0]=3 899 B15R2.404 Cc1ccoc1CNCc2ccoc2 207a_100015206860_100000763527 [0,1,0,0,0,0|3,0,0]=4 900 B15R2.404 Cc1ccoc1CNCc2ccoc2 270004a_100015206860_100000763527 [0,1,0,0,0,0|3,0,0]=4 901 B15R2.404 Cc1ccoc1CNCc2ccon2 207a_100000688301_100000763527 [0,1,0,0,0,0|3,0,0]=4 902 B15R2.404 Cc1ccoc1CNCc2ccon2 270004a_100000688301_100000763527 [0,1,0,0,0,0|3,0,0]=4 903 B15R2.404 Cc1ccoc1CNCc2ccsc2 207a_100000186416_100000763527 [0,1,0,0,0,0|3,0,0]=4 904 B15R2.404 Cc1ccoc1CNCc2ccsc2 270004a_100000186416_100000763527 [0,1,0,0,0,0|3,0,0]=4 905 B15R2.404 Cc1ccoc1CNCc2cnco2 207a_100020634212_100000763527 [0,1,0,0,0,0|2,0,0]=3 906 B15R2.404 Cc1ccoc1CNCc2cnco2 270004a_100020634212_100000763527 [0,1,0,0,0,0|2,0,0]=3 907 B15R2.404 Cc1ccoc1CNCc2cncs2 207a_100016987365_100000763527 [0,1,0,0,0,0|2,1,0]=4 908 B15R2.404 Cc1ccoc1CNCc2cncs2 270004a_100016987365_100000763527 [0,1,0,0,0,0|2,1,0]=4 909 B15R2.404 Cc1ccoc1CNCc2cocn2 207a_100015188801_100000763527 [0,1,0,0,0,0|3,0,0]=4 910 B15R2.404 Cc1ccoc1CNCc2cocn2 270004a_100015188801_100000763527 [0,1,0,0,0,0|3,0,0]=4 911 B15R2.404 Cc1ccoc1CNCc2cscn2 207a_100015185402_100000763527 [0,1,0,0,0,0|3,0,0]=4 912 B15R2.404 Cc1ccoc1CNCc2ncc[nH]2 207a_100000754540_100000763527 [0,1,0,0,0,0|3,0,0]=4 913 B15R2.404 Cc1ccoc1CNCc2ncc[nH]2 270004a_100000754540_100000763527 [0,1,0,0,0,0|3,0,0]=4 914 B15R2.404 Cc1ccoc1CNCc2ncco2 207a_100016994969_100000763527 [0,1,0,0,0,0|2,0,0]=3 915 B15R2.404 Cc1ccoc1CNCc2nccs2 207a_100000740555_100000763527 [0,1,0,0,0,0|2,1,0]=4 916 B15R2.404 Cc1ccoc1CNCc2nccs2 270004a_100000740555_100000763527 [0,1,0,0,0,0|2,1,0]=4 917 B15R2.404 Cc1ccoc1COCc2c[nH]cn2 34a_100011273948_100000707719 [0,1,0,0,0,0|2,1,0]=4 918 B15R2.404 Cc1ccoc1COCc2ccn[nH]2 34a_100011273948_100000728653 [0,1,0,0,0,0|2,1,0]=4 919 B15R2.404 Cc1ccoc1COCc2ccn[nH]2 7a_100011273948_100000728653 [0,1,0,0,0,0|2,1,0]=4 920 B15R2.404 Cc1ccoc1COCc2ccon2 34a_100011273948_100000234950 [0,1,0,0,0,0|2,1,0]=4 921 B15R2.404 Cc1ccoc1COCc2ccon2 7a_100011273948_100000234950 [0,1,0,0,0,0|2,1,0]=4 922 B15R2.404 Cc1ccoc1COCc2ccsc2 34a_100011273948_100011261437 [0,1,0,0,0,0|2,1,0]=4 923 B15R2.404 Cc1ccoc1COCc2ccsc2 7a_100011273948_100011261437 [0,1,0,0,0,0|2,1,0]=4 924 B15R2.404 Cc1ccoc1COCc2cncs2 34a_100011273948_100015185245 [0,1,0,0,0,0|1,2,0]=4 925 B15R2.404 Cc1ccoc1COCc2cncs2 7a_100011273948_100015185245 [0,1,0,0,0,0|1,2,0]=4 926 B15R2.404 Cc1ccoc1COCc2cscn2 34a_100011273948_100000205941 [0,1,0,0,0,0|2,1,0]=4 927 B15R2.404 Cc1ccoc1COCc2cscn2 7a_100011273948_100000205941 [0,1,0,0,0,0|2,1,0]=4 928 B15R2.404 Cc1ccoc1COCc2ncc[nH]2 34a_100011273948_100016991755 [0,1,0,0,0,0|2,1,0]=4 929 B15R2.404 Cc1ccoc1COCc2ncc[nH]2 7a_100011273948_100000753453 [0,1,0,0,0,0|2,1,0]=4 930 B15R2.404 Cc1ccoc1COCc2ncco2 34a_100011273948_103436540062 [0,1,0,0,0,0|1,1,0]=3 931 B15R2.404 Cc1ccoc1COCc2ncco2 7a_100011273948_103436540062 [0,1,0,0,0,0|1,1,0]=3 932 B15R2.404 Cc1ccoc1COCc2nccs2 34a_100011273948_100015184050 [0,1,0,0,0,0|1,2,0]=4 933 B15R2.404 Cc1ccoc1COCc2nccs2 7a_100011273948_100015184050 [0,1,0,0,0,0|1,2,0]=4 934 B15R2.404 Cc1ccsc1CNCc2ccco2 207a_100000185738_100000210881 [0,1,0,0,0,0|1,1,0]=3 935 B15R2.404 Cc1ccsc1CNCc2ccco2 207a_100000238519_100000186105 [0,1,0,0,0,0|1,1,0]=3 936 B15R2.404 Cc1ccsc1CNCc2ccco2 270004a_100000185738_100000210881 [0,1,0,0,0,0|1,1,0]=3 937 B15R2.404 Cc1ccsc1CNCc2ccco2 270004a_100000238519_100000186105 [0,1,0,0,0,0|1,1,0]=3 938 B15R2.404 Cc1ccsc1CNCc2cccs2 207a_100000211653_100000210881 [0,1,0,0,0,0|1,2,0]=4 939 B15R2.404 Cc1ccsc1CNCc2cccs2 207a_100000238519_100000209959 [0,1,0,0,0,0|1,2,0]=4 940 B15R2.404 Cc1ccsc1CNCc2cccs2 270004a_100000211653_100000210881 [0,1,0,0,0,0|1,2,0]=4 941 B15R2.404 Cc1ccsc1CNCc2cccs2 270004a_100000238519_100000209959 [0,1,0,0,0,0|1,2,0]=4 942 B15R2.404 Cc1ccsc1CNCc2cnco2 207a_100020634212_100000210881 [0,1,0,0,0,0|2,1,0]=4 943 B15R2.404 Cc1ccsc1CNCc2cnco2 270004a_100000238519_100000064291 [0,1,0,0,0,0|2,1,0]=4 944 B15R2.404 Cc1ccsc1CNCc2cnco2 270004a_100020634212_100000210881 [0,1,0,0,0,0|2,1,0]=4 945 B15R2.404 Cc1ccsc1CNCc2ncco2 207a_100016994969_100000210881 [0,1,0,0,0,0|2,1,0]=4 946 B15R2.404 Cc1ccsc1CNCc2ncco2 2230a_100000238519_103436540062 [0,1,0,0,0,0|2,1,0]=4 947 B15R2.404 Cc1ccsc1CNCc2ncco2 270004a_100000238519_100000064290 [0,1,0,0,0,0|2,1,0]=4 948 B15R2.404 Cc1ccsc1CNCc2ncco2 34a_100000238519_103436540062 [0,1,0,0,0,0|2,1,0]=4 949 B15R2.404 Cc1ccsc1COCc2ncco2 34a_100000238368_103436540062 [0,1,0,0,0,0|1,2,0]=4 950 B15R2.404 Cc1ccsc1COCc2ncco2 7a_100000238368_103436540062 [0,1,0,0,0,0|1,2,0]=4 951 B15R2.404 Cc1cn[nH]c1CNCc2ccco2 207a_100000185738_100000708485 [0,1,0,0,0,0|3,0,0]=4 952 B15R2.404 Cc1cn[nH]c1CNCc2ccco2 270004a_100000185738_100000708485 [0,1,0,0,0,0|3,0,0]=4 953 B15R2.404 Cc1cnoc1COCc2ncco2 34a_200011065769_103436540062 [0,1,0,0,0,0|2,1,0]=4 954 B15R2.404 Cc1ncoc1COCc2ncco2 34a_100000717716_103436540062 [0,1,0,0,0,0|2,1,0]=4 955 B15R2.404 Cc1ncoc1COCc2ncco2 7a_100000717716_103436540062 [0,1,0,0,0,0|2,1,0]=4 956 B15R2.404 Cc1ncsc1CNCc2ccco2 207a_100000185738_100000764165 [0,1,0,0,0,0|2,1,0]=4 957 B15R2.404 Cc1ncsc1CNCc2ccco2 207a_100000752186_100000186105 [0,1,0,0,0,0|2,1,0]=4 958 B15R2.404 Cc1ncsc1CNCc2ccco2 270004a_100000752186_100000186105 [0,1,0,0,0,0|2,1,0]=4 959 B15R2.404 Cc1ocnc1CNCc2ccco2 2230a_100000185738_200000693990 [0,1,0,0,0,0|3,0,0]=4 960 B15R2.404 Cc1ocnc1CNCc2ccco2 34a_100000185738_200000693990 [0,1,0,0,0,0|3,0,0]=4 961 B15R2.404 Cc1ocnc1COCc2ccco2 34a_100000210059_200000693990 [0,1,0,0,0,0|2,1,0]=4 962 B15R2.404 Cc1ocnc1CSCc2ncco2 62a_103436540062_200000693990 [0,1,0,0,0,0|3,0,0]=4 963 B15R2.404 Cc1ocnc1CSCc2ncco2 62a_200000693990_103436540062 [0,1,0,0,0,0|3,0,0]=4 964 B15R2.404 Clc1c[nH]nc1CNCc2ccco2 207a_100000185738_100000040271 [0,1,0,0,0,0|3,0,0]=4 965 B15R2.404 Clc1c[nH]nc1CNCc2ccco2 270004a_100000185738_100000040271 [0,1,0,0,0,0|3,0,0]=4 966 B15R2.404 Clc1ccsc1CNCc2ccco2 207a_100000185738_100000722334 [0,1,0,0,0,0|1,1,0]=3 967 B15R2.404 Clc1ccsc1CNCc2ccco2 207a_100011934584_100000186105 [0,1,0,0,0,0|1,1,0]=3 968 B15R2.404 Clc1ccsc1CNCc2ccco2 270004a_100000185738_100000722334 [0,1,0,0,0,0|1,1,0]=3 969 B15R2.404 Clc1ccsc1CNCc2ccco2 270004a_100011934584_100000186105 [0,1,0,0,0,0|1,1,0]=3 970 B15R2.404 Clc1ccsc1CNCc2cccs2 207a_100000211653_100000722334 [0,1,0,0,0,0|1,2,0]=4 971 B15R2.404 Clc1ccsc1CNCc2cccs2 207a_100011934584_100000209959 [0,1,0,0,0,0|1,2,0]=4 972 B15R2.404 Clc1ccsc1CNCc2cccs2 270004a_100000211653_100000722334 [0,1,0,0,0,0|1,2,0]=4 973 B15R2.404 Clc1ccsc1CNCc2cccs2 270004a_100011934584_100000209959 [0,1,0,0,0,0|1,2,0]=4 974 B15R2.404 Clc1ccsc1CNCc2cnco2 207a_100020634212_100000722334 [0,1,0,0,0,0|2,1,0]=4 975 B15R2.404 Clc1ccsc1CNCc2cnco2 270004a_100011934584_100000064291 [0,1,0,0,0,0|2,1,0]=4 976 B15R2.404 Clc1ccsc1CNCc2cnco2 270004a_100020634212_100000722334 [0,1,0,0,0,0|2,1,0]=4 977 B15R2.404 Clc1ccsc1CNCc2ncco2 207a_100016994969_100000722334 [0,1,0,0,0,0|2,1,0]=4 978 B15R2.404 Clc1ccsc1CNCc2ncco2 2230a_100011934584_103436540062 [0,1,0,0,0,0|2,1,0]=4 979 B15R2.404 Clc1ccsc1CNCc2ncco2 270004a_100011934584_100000064290 [0,1,0,0,0,0|2,1,0]=4 980 B15R2.404 Clc1ccsc1CNCc2ncco2 34a_100011934584_103436540062 [0,1,0,0,0,0|2,1,0]=4 981 B15R2.404 Clc1ccsc1COCc2ncco2 34a_100000722387_103436540062 [0,1,0,0,0,0|1,2,0]=4 982 B15R2.404 Clc1ccsc1COCc2ncco2 7a_100000722387_103436540062 [0,1,0,0,0,0|1,2,0]=4 983 B15R2.404 Clc1sccc1CNCc2ccco2 207a_100000185738_100000089901 [0,1,0,0,0,0|3,0,0]=4 984 B15R2.404 Clc1sccc1CNCc2ccco2 2230a_100000185738_100010167017 [0,1,0,0,0,0|3,0,0]=4 985 B15R2.404 Clc1sccc1CNCc2ccco2 270004a_100000185738_100000089901 [0,1,0,0,0,0|3,0,0]=4 986 B15R2.404 Clc1sccc1CNCc2ccco2 34a_100000185738_100010167017 [0,1,0,0,0,0|3,0,0]=4 987 B15R2.404 Clc1sccc1COCc2ccco2 34a_100000210059_100010167017 [0,1,0,0,0,0|2,1,0]=4 988 B15R2.404 Clc1sccc1CSCc2ncco2 62a_100010167017_103436540062 [0,1,0,0,0,0|3,0,0]=4 989 B15R2.404 Clc1sccc1CSCc2ncco2 62a_103436540062_100010167017 [0,1,0,0,0,0|3,0,0]=4 990 B15R2.404 Cn1cccc1CNCc2ccco2 270004a_100000185738_100000211633 [0,1,0,0,0,0|2,0,0]=3 991 B15R2.404 Cn1cccc1CNCc2cccs2 270004a_100000211653_100000211633 [0,1,0,0,0,0|2,1,0]=4 992 B15R2.404 Cn1cccc1CNCc2cnco2 270004a_100020634212_100000211633 [0,1,0,0,0,0|3,0,0]=4 993 B15R2.404 Cn1cccc1CNCc2ncco2 34a_100011219357_103436540062 [0,1,0,0,0,0|3,0,0]=4 994 B15R2.404 Cn1ccnc1CNCc2ccco2 207a_100000185738_100000748660 [0,1,0,0,0,0|3,0,0]=4 995 B15R2.404 Cn1ccnc1CNCc2ccco2 207a_100015186572_100000186105 [0,1,0,0,0,0|3,0,0]=4 996 B15R2.404 Cn1ccnc1CNCc2ccco2 2230a_100000185738_100000700302 [0,1,0,0,0,0|3,0,0]=4 997 B15R2.404 Cn1ccnc1CNCc2ccco2 270004a_100000185738_100000748660 [0,1,0,0,0,0|3,0,0]=4 998 B15R2.404 Cn1ccnc1CNCc2ccco2 270004a_100015186572_100000186105 [0,1,0,0,0,0|3,0,0]=4 999 B15R2.404 Cn1ccnc1CNCc2ccco2 34a_100000185738_100000700302 [0,1,0,0,0,0|3,0,0]=4 1000 B15R2.404 Cn1ccnc1COCc2ccco2 34a_100000210059_100000700302 [0,1,0,0,0,0|2,1,0]=4 1001 B15R2.404 Cn1ccnc1CSCc2ncco2 62a_100000700302_103436540062 [0,1,0,0,0,0|3,0,0]=4 1002 B15R2.404 Cn1ccnc1CSCc2ncco2 62a_103436540062_100000700302 [0,1,0,0,0,0|3,0,0]=4 1003 B15R2.404 Cn1cncc1CNCc2ccco2 207a_100000185738_100000750899 [0,1,0,0,0,0|3,0,0]=4 1004 B15R2.404 Cn1cncc1CNCc2ccco2 207a_100000732891_100000186105 [0,1,0,0,0,0|3,0,0]=4 1005 B15R2.404 Cn1cncc1CNCc2ccco2 270004a_100000185738_100000750899 [0,1,0,0,0,0|3,0,0]=4 1006 B15R2.404 Cn1cncc1CNCc2ccco2 270004a_100000732891_100000186105 [0,1,0,0,0,0|3,0,0]=4 1007 B15R2.404 Cn1nccc1CNCc2ccco2 207a_100000185738_100000737161 [0,1,0,0,0,0|3,0,0]=4 1008 B15R2.404 Cn1nccc1CNCc2ccco2 207a_100025706696_100000186105 [0,1,0,0,0,0|3,0,0]=4 1009 B15R2.404 Cn1nccc1CNCc2ccco2 2230a_100000185738_100000691648 [0,1,0,0,0,0|3,0,0]=4 1010 B15R2.404 Cn1nccc1CNCc2ccco2 270004a_100000185738_100000737161 [0,1,0,0,0,0|3,0,0]=4 1011 B15R2.404 Cn1nccc1CNCc2ccco2 270004a_100025706696_100000186105 [0,1,0,0,0,0|3,0,0]=4 1012 B15R2.404 Cn1nccc1CNCc2ccco2 34a_100000185738_100000691648 [0,1,0,0,0,0|3,0,0]=4 1013 B15R2.404 Cn1nccc1COCc2ccco2 34a_100000210059_100000691648 [0,1,0,0,0,0|2,1,0]=4 1014 B15R2.404 Cn1nccc1CSCc2ncco2 62a_100000691648_103436540062 [0,1,0,0,0,0|3,0,0]=4 1015 B15R2.404 Cn1nccc1CSCc2ncco2 62a_103436540062_100000691648 [0,1,0,0,0,0|3,0,0]=4 1016 B15R2.1260 CN(Cc1c[nH]cn1)Cc2ccco2 2230a_100000185268_100000707719 [0,1,0,0,0,0|3,0,0]=4 1017 B15R2.1260 CN(Cc1c[nH]cn1)Cc2ccco2 269982a_100000185268_100000707719 [0,1,0,0,0,0|3,0,0]=4 1018 B15R2.1260 CN(Cc1cc[nH]n1)Cc2ccco2 270004a_100000185268_100000738523 [0,1,0,0,0,0|3,0,0]=4 1019 B15R2.1260 CN(Cc1ccco1)Cc2ccco2 2230a_100015185892_200000210301 [0,1,0,0,0,0|1,0,0]=2 1020 B15R2.1260 CN(Cc1ccco1)Cc2ccco2 269982a_100015185892_200000210301 [0,1,0,0,0,0|1,0,0]=2 1021 B15R2.1260 CN(Cc1ccco1)Cc2ccco2 270004a_100000185268_100000186105 [0,1,0,0,0,0|1,0,0]=2 1022 B15R2.1260 CN(Cc1ccco1)Cc2cccs2 2230a_100000184478_200000210301 [0,1,0,0,0,0|1,1,0]=3 1023 B15R2.1260 CN(Cc1ccco1)Cc2cccs2 269982a_100000184478_200000210301 [0,1,0,0,0,0|1,1,0]=3 1024 B15R2.1260 CN(Cc1ccco1)Cc2cccs2 270004a_100000184426_100000186105 [0,1,0,0,0,0|1,1,0]=3 1025 B15R2.1260 CN(Cc1ccco1)Cc2cccs2 270004a_100000185268_100000209959 [0,1,0,0,0,0|1,1,0]=3 1026 B15R2.1260 CN(Cc1ccco1)Cc2cnco2 270004a_100000185268_100000064291 [0,1,0,0,0,0|2,0,0]=3 1027 B15R2.1260 CN(Cc1ccco1)Cc2cncs2 2230a_100000185268_100015185245 [0,1,0,0,0,0|2,1,0]=4 1028 B15R2.1260 CN(Cc1ccco1)Cc2cncs2 269982a_100000185268_100015185245 [0,1,0,0,0,0|2,1,0]=4 1029 B15R2.1260 CN(Cc1ccco1)Cc2cncs2 270004a_100000185268_100000749870 [0,1,0,0,0,0|2,1,0]=4 1030 B15R2.1260 CN(Cc1ccco1)Cc2ncco2 2230a_100000185268_103436540062 [0,1,0,0,0,0|2,0,0]=3 1031 B15R2.1260 CN(Cc1ccco1)Cc2ncco2 269982a_100000185268_103436540062 [0,1,0,0,0,0|2,0,0]=3 1032 B15R2.1260 CN(Cc1ccco1)Cc2ncco2 270004a_100000185268_100000064290 [0,1,0,0,0,0|2,0,0]=3 1033 B15R2.1260 CN(Cc1ccco1)Cc2nccs2 2230a_100000185268_100015184050 [0,1,0,0,0,0|2,1,0]=4 1034 B15R2.1260 CN(Cc1ccco1)Cc2nccs2 269982a_100000185268_100015184050 [0,1,0,0,0,0|2,1,0]=4 1035 B15R2.1260 CN(Cc1ccco1)Cc2nccs2 270004a_100000185268_100000750902 [0,1,0,0,0,0|2,1,0]=4 1036 B15R2.1260 CN(Cc1ccco1)Cc2nccs2 270004a_100000765864_100000186105 [0,1,0,0,0,0|2,1,0]=4 1037 B15R2.1260 CN(Cc1cccs1)Cc2cccs2 2230a_100000186845_200000210301 [0,1,0,0,0,0|1,2,0]=4 1038 B15R2.1260 CN(Cc1cccs1)Cc2cccs2 269982a_100000186845_200000210301 [0,1,0,0,0,0|1,2,0]=4 1039 B15R2.1260 CN(Cc1cccs1)Cc2cccs2 270004a_100000184426_100000209959 [0,1,0,0,0,0|1,2,0]=4 1040 B15R2.1260 CN(Cc1ccn[nH]1)Cc2ccco2 2230a_100000185268_100000728653 [0,1,0,0,0,0|3,0,0]=4 1041 B15R2.1260 CN(Cc1ccn[nH]1)Cc2ccco2 269982a_100000185268_100000728653 [0,1,0,0,0,0|3,0,0]=4 1042 B15R2.1260 CN(Cc1ccoc1)Cc2ccco2 270004a_100000185268_100011215517 [0,1,0,0,0,0|3,0,0]=4 1043 B15R2.1260 CN(Cc1ccon1)Cc2ccco2 2230a_100000185268_100000234950 [0,1,0,0,0,0|3,0,0]=4 1044 B15R2.1260 CN(Cc1ccon1)Cc2ccco2 269982a_100000185268_100000234950 [0,1,0,0,0,0|3,0,0]=4 1045 B15R2.1260 CN(Cc1ccon1)Cc2ccco2 270004a_100000757864_100000186105 [0,1,0,0,0,0|3,0,0]=4 1046 B15R2.1260 CN(Cc1ccsc1)Cc2ccco2 2230a_100000185268_100011261437 [0,1,0,0,0,0|3,0,0]=4 1047 B15R2.1260 CN(Cc1ccsc1)Cc2ccco2 269982a_100000185268_100011233845 [0,1,0,0,0,0|3,0,0]=4 1048 B15R2.1260 CN(Cc1ccsc1)Cc2ccco2 270004a_100000185268_100000188534 [0,1,0,0,0,0|3,0,0]=4 1049 B15R2.1260 CN(Cc1ccsc1)Cc2ccco2 270004a_100020654213_100000186105 [0,1,0,0,0,0|3,0,0]=4 1050 B15R2.1260 CN(Cc1cnco1)Cc2cccs2 270004a_100000184426_100000064291 [0,1,0,0,0,0|2,1,0]=4 1051 B15R2.1260 CN(Cc1cocn1)Cc2ccco2 270004a_100000185268_100000050382 [0,1,0,0,0,0|3,0,0]=4 1052 B15R2.1260 CN(Cc1cscn1)Cc2ccco2 2230a_100000185268_100000205941 [0,1,0,0,0,0|3,0,0]=4 1053 B15R2.1260 CN(Cc1cscn1)Cc2ccco2 269982a_100000185268_100000205941 [0,1,0,0,0,0|3,0,0]=4 1054 B15R2.1260 CN(Cc1cscn1)Cc2ccco2 270004a_100000185268_100000743575 [0,1,0,0,0,0|3,0,0]=4 1055 B15R2.1260 CN(Cc1cscn1)Cc2ccco2 270004a_100000225794_100000186105 [0,1,0,0,0,0|3,0,0]=4 1056 B15R2.1260 CN(Cc1ncc[nH]1)Cc2ccco2 2230a_100000185268_100016991755 [0,1,0,0,0,0|3,0,0]=4 1057 B15R2.1260 CN(Cc1ncc[nH]1)Cc2ccco2 269982a_100000185268_100016991755 [0,1,0,0,0,0|3,0,0]=4 1058 B15R2.1260 CN(Cc1ncc[nH]1)Cc2ccco2 270004a_100015184136_100000186105 [0,1,0,0,0,0|3,0,0]=4 1059 B15R2.1260 CN(Cc1ncco1)Cc2cccs2 2230a_100000184426_103436540062 [0,1,0,0,0,0|2,1,0]=4 1060 B15R2.1260 CN(Cc1ncco1)Cc2cccs2 269982a_100000184426_103436540062 [0,1,0,0,0,0|2,1,0]=4 1061 B15R2.1260 CN(Cc1ncco1)Cc2cccs2 270004a_100000184426_100000064290 [0,1,0,0,0,0|2,1,0]=4 1062 B15R2.1260 O=C(Cc1c[nH]cn1)Cc2ccco2 1458a_100011217309_100000707719 [0,1,0,0,0,0|3,0,0]=4 1063 B15R2.1260 O=C(Cc1ccc[nH]1)Cc2ncco2 1458a_100000238377_103436540062 [0,1,0,0,0,0|3,0,0]=4 1064 B15R2.1260 O=C(Cc1ccco1)Cc2cncs2 1458a_100011217309_100015185245 [0,1,0,0,0,0|2,1,0]=4 1065 B15R2.1260 O=C(Cc1ccco1)Cc2ncco2 1458a_100011217309_103436540062 [0,1,0,0,0,0|2,0,0]=3 1066 B15R2.1260 O=C(Cc1ccco1)Cc2nccs2 1458a_100011217309_100015184050 [0,1,0,0,0,0|2,1,0]=4 1067 B15R2.1260 O=C(Cc1ccn[nH]1)Cc2ccco2 1458a_100011217309_100000728653 [0,1,0,0,0,0|3,0,0]=4 1068 B15R2.1260 O=C(Cc1ccon1)Cc2ccco2 1458a_100011217309_100000234950 [0,1,0,0,0,0|3,0,0]=4 1069 B15R2.1260 O=C(Cc1ccsc1)Cc2ccco2 1458a_100011217309_100011233845 [0,1,0,0,0,0|3,0,0]=4 1070 B15R2.1260 O=C(Cc1cscn1)Cc2ccco2 1458a_100011217309_100000205941 [0,1,0,0,0,0|3,0,0]=4 1071 B15R2.1260 O=C(Cc1ncco1)Cc2cccs2 1458a_100000210189_103436540062 [0,1,0,0,0,0|2,1,0]=4 1072 B15R2.1260 [13CH3]N(Cc1ccco1)Cc2ccco2 2230a_100015185892_200025704644 [0,1,0,0,0,0|1,0,0]=2 1073 B15R2.1260 [13CH3]N(Cc1ccco1)Cc2ccco2 269982a_100015185892_200025704644 [0,1,0,0,0,0|1,0,0]=2 1074 B15R2.1260 [13CH3]N(Cc1ccco1)Cc2cccs2 2230a_100000184478_200025704644 [0,1,0,0,0,0|1,1,0]=3 1075 B15R2.1260 [13CH3]N(Cc1ccco1)Cc2cccs2 269982a_100000184478_200025704644 [0,1,0,0,0,0|1,1,0]=3 1076 B15R2.1260 [13CH3]N(Cc1cccs1)Cc2cccs2 2230a_100000186845_200025704644 [0,1,0,0,0,0|1,2,0]=4 1077 B15R2.1260 [13CH3]N(Cc1cccs1)Cc2cccs2 269982a_100000186845_200025704644 [0,1,0,0,0,0|1,2,0]=4 1078 B15R2.3989 CC(NCc1ccco1)c2cccs2 207a_100000703493_100000186105 [0,1,0,0,0,0|1,1,0]=3 1079 B15R2.3989 CC(NCc1ccco1)c2cccs2 270004a_100000703493_100000186105 [0,1,0,0,0,0|1,1,0]=3 1080 B15R2.3989 CC(NCc1ccco1)c2ccoc2 207a_100000690049_100000186105 [0,1,0,0,0,0|3,0,0]=4 1081 B15R2.3989 CC(NCc1ccco1)c2ccoc2 270004a_100000690049_100000186105 [0,1,0,0,0,0|3,0,0]=4 1082 B15R2.3989 CC(NCc1ccco1)c2ccsc2 207a_100000748604_100000186105 [0,1,0,0,0,0|3,0,0]=4 1083 B15R2.3989 CC(NCc1ccco1)c2ccsc2 270004a_100000748604_100000186105 [0,1,0,0,0,0|3,0,0]=4 1084 B15R2.3989 CC(NCc1ccco1)c2nccs2 207a_100000725601_100000186105 [0,1,0,0,0,0|2,1,0]=4 1085 B15R2.3989 CC(NCc1ccco1)c2nccs2 270004a_100000725601_100000186105 [0,1,0,0,0,0|2,1,0]=4 1086 B15R2.3989 CC(NCc1cccs1)c2ccc[nH]2 269862a_100000211653_100000183661 [0,1,0,0,0,0|2,1,0]=4 1087 B15R2.3989 CC(NCc1cccs1)c2cccs2 207a_100000703493_100000209959 [0,1,0,0,0,0|1,2,0]=4 1088 B15R2.3989 CC(NCc1cccs1)c2cccs2 269862a_100000211653_100000185736 [0,1,0,0,0,0|1,2,0]=4 1089 B15R2.3989 CC(NCc1cccs1)c2cccs2 270004a_100000703493_100000209959 [0,1,0,0,0,0|1,2,0]=4 1090 B15R2.3989 CC(NCc1cnco1)c2ccc[nH]2 269862a_100020634212_100000183661 [0,1,0,0,0,0|3,0,0]=4 1091 B15R2.3989 CC(NCc1cnco1)c2cccs2 269862a_100020634212_100000185736 [0,1,0,0,0,0|2,1,0]=4 1092 B15R2.3989 CC(NCc1cnco1)c2cccs2 270004a_100000703493_100000064291 [0,1,0,0,0,0|2,1,0]=4 1093 B15R2.3989 CC(NCc1ncco1)c2cccs2 2230a_100000703493_103436540062 [0,1,0,0,0,0|2,1,0]=4 1094 B15R2.3989 CC(NCc1ncco1)c2cccs2 270004a_100000703493_100000064290 [0,1,0,0,0,0|2,1,0]=4 1095 B15R2.3989 C[C@@H](NCc1c[nH]cn1)c2ccco2 2230a_100160469435_100000707719 [0,1,0,0,0,0|3,0,0]=4 1096 B15R2.3989 C[C@@H](NCc1cc[nH]n1)c2ccco2 207a_100160469435_100000738523 [0,1,0,0,0,0|3,0,0]=4 1097 B15R2.3989 C[C@@H](NCc1cc[nH]n1)c2ccco2 270004a_100160469435_100000738523 [0,1,0,0,0,0|3,0,0]=4 1098 B15R2.3989 C[C@@H](NCc1ccco1)c2ccco2 207a_100160469435_100000186105 [0,1,0,0,0,0|1,0,0]=2 1099 B15R2.3989 C[C@@H](NCc1ccco1)c2ccco2 270004a_100160469435_100000186105 [0,1,0,0,0,0|1,0,0]=2 1100 B15R2.3989 C[C@@H](NCc1cccs1)c2ccco2 207a_100160469435_100000209959 [0,1,0,0,0,0|1,1,0]=3 1101 B15R2.3989 C[C@@H](NCc1cccs1)c2ccco2 270004a_100160469435_100000209959 [0,1,0,0,0,0|1,1,0]=3 1102 B15R2.3989 C[C@@H](NCc1ccn[nH]1)c2ccco2 2230a_100160469435_100000728653 [0,1,0,0,0,0|3,0,0]=4 1103 B15R2.3989 C[C@@H](NCc1ccoc1)c2ccco2 207a_100160469435_100011215517 [0,1,0,0,0,0|3,0,0]=4 1104 B15R2.3989 C[C@@H](NCc1ccoc1)c2ccco2 270004a_100160469435_100011215517 [0,1,0,0,0,0|3,0,0]=4 1105 B15R2.3989 C[C@@H](NCc1ccon1)c2ccco2 2230a_100160469435_100000234950 [0,1,0,0,0,0|3,0,0]=4 1106 B15R2.3989 C[C@@H](NCc1ccsc1)c2ccco2 207a_100160469435_100000188534 [0,1,0,0,0,0|3,0,0]=4 1107 B15R2.3989 C[C@@H](NCc1ccsc1)c2ccco2 2230a_100160469435_100011261437 [0,1,0,0,0,0|3,0,0]=4 1108 B15R2.3989 C[C@@H](NCc1ccsc1)c2ccco2 270004a_100160469435_100000188534 [0,1,0,0,0,0|3,0,0]=4 1109 B15R2.3989 C[C@@H](NCc1cnc[nH]1)c2ccco2 207a_100160469435_100000742939 [0,1,0,0,0,0|3,0,0]=4 1110 B15R2.3989 C[C@@H](NCc1cnco1)c2ccco2 270004a_100160469435_100000064291 [0,1,0,0,0,0|2,0,0]=3 1111 B15R2.3989 C[C@@H](NCc1cncs1)c2ccco2 207a_100160469435_100000749870 [0,1,0,0,0,0|2,1,0]=4 1112 B15R2.3989 C[C@@H](NCc1cncs1)c2ccco2 2230a_100160469435_100015185245 [0,1,0,0,0,0|2,1,0]=4 1113 B15R2.3989 C[C@@H](NCc1cncs1)c2ccco2 270004a_100160469435_100000749870 [0,1,0,0,0,0|2,1,0]=4 1114 B15R2.3989 C[C@@H](NCc1cocn1)c2ccco2 270004a_100160469435_100000050382 [0,1,0,0,0,0|3,0,0]=4 1115 B15R2.3989 C[C@@H](NCc1cscn1)c2ccco2 207a_100160469435_100000743575 [0,1,0,0,0,0|3,0,0]=4 1116 B15R2.3989 C[C@@H](NCc1cscn1)c2ccco2 2230a_100160469435_100000205941 [0,1,0,0,0,0|3,0,0]=4 1117 B15R2.3989 C[C@@H](NCc1cscn1)c2ccco2 270004a_100160469435_100000743575 [0,1,0,0,0,0|3,0,0]=4 1118 B15R2.3989 C[C@@H](NCc1ncc[nH]1)c2ccco2 207a_100160469435_100000743867 [0,1,0,0,0,0|3,0,0]=4 1119 B15R2.3989 C[C@@H](NCc1ncc[nH]1)c2ccco2 2230a_100160469435_100016991755 [0,1,0,0,0,0|3,0,0]=4 1120 B15R2.3989 C[C@@H](NCc1ncco1)c2ccco2 2230a_100160469435_103436540062 [0,1,0,0,0,0|2,0,0]=3 1121 B15R2.3989 C[C@@H](NCc1ncco1)c2ccco2 270004a_100160469435_100000064290 [0,1,0,0,0,0|2,0,0]=3 1122 B15R2.3989 C[C@@H](NCc1nccs1)c2ccco2 207a_100160469435_100000750902 [0,1,0,0,0,0|2,1,0]=4 1123 B15R2.3989 C[C@@H](NCc1nccs1)c2ccco2 2230a_100160469435_100015184050 [0,1,0,0,0,0|2,1,0]=4 1124 B15R2.3989 C[C@@H](NCc1nccs1)c2ccco2 270004a_100160469435_100000750902 [0,1,0,0,0,0|2,1,0]=4 1125 B15R2.3989 C[C@@H](OCc1ncco1)c2cccs2 7a_100000750433_103436540062 [0,1,0,0,0,0|1,2,0]=4 1126 B15R2.3989 C[C@H](OCc1c[nH]cn1)c2ccco2 34a_100000755270_100000707719 [0,1,0,0,0,0|2,1,0]=4 1127 B15R2.3989 C[C@H](OCc1ccn[nH]1)c2ccco2 34a_100000755270_100000728653 [0,1,0,0,0,0|2,1,0]=4 1128 B15R2.3989 C[C@H](OCc1ccn[nH]1)c2ccco2 7a_100000755270_100000728653 [0,1,0,0,0,0|2,1,0]=4 1129 B15R2.3989 C[C@H](OCc1ccon1)c2ccco2 34a_100000755270_100000234950 [0,1,0,0,0,0|2,1,0]=4 1130 B15R2.3989 C[C@H](OCc1ccon1)c2ccco2 7a_100000755270_100000234950 [0,1,0,0,0,0|2,1,0]=4 1131 B15R2.3989 C[C@H](OCc1ccsc1)c2ccco2 34a_100000755270_100011261437 [0,1,0,0,0,0|2,1,0]=4 1132 B15R2.3989 C[C@H](OCc1ccsc1)c2ccco2 7a_100000755270_100011261437 [0,1,0,0,0,0|2,1,0]=4 1133 B15R2.3989 C[C@H](OCc1cncs1)c2ccco2 34a_100000755270_100015185245 [0,1,0,0,0,0|1,2,0]=4 1134 B15R2.3989 C[C@H](OCc1cncs1)c2ccco2 7a_100000755270_100015185245 [0,1,0,0,0,0|1,2,0]=4 1135 B15R2.3989 C[C@H](OCc1cscn1)c2ccco2 34a_100000755270_100000205941 [0,1,0,0,0,0|2,1,0]=4 1136 B15R2.3989 C[C@H](OCc1cscn1)c2ccco2 7a_100000755270_100000205941 [0,1,0,0,0,0|2,1,0]=4 1137 B15R2.3989 C[C@H](OCc1ncc[nH]1)c2ccco2 34a_100000755270_100016991755 [0,1,0,0,0,0|2,1,0]=4 1138 B15R2.3989 C[C@H](OCc1ncc[nH]1)c2ccco2 7a_100000755270_100000753453 [0,1,0,0,0,0|2,1,0]=4 1139 B15R2.3989 C[C@H](OCc1ncco1)c2ccco2 34a_100000755270_103436540062 [0,1,0,0,0,0|1,1,0]=3 1140 B15R2.3989 C[C@H](OCc1ncco1)c2ccco2 7a_100000755270_103436540062 [0,1,0,0,0,0|1,1,0]=3 1141 B15R2.3989 C[C@H](OCc1nccs1)c2ccco2 34a_100000755270_100015184050 [0,1,0,0,0,0|1,2,0]=4 1142 B15R2.3989 C[C@H](OCc1nccs1)c2ccco2 7a_100000755270_100015184050 [0,1,0,0,0,0|1,2,0]=4 1143 B15R2.3989 O=C(CSc1ccco1)c2ccco2 62a_100000211439_100009814098 [0,1,0,0,0,0|2,0,1]=4 1144 B15R2.3989 O=C(CSc1ccco1)c2ccco2 62a_100009814098_100000211439 [0,1,0,0,0,0|2,0,1]=4 1145 B13R1.119 C/C=C/C=C/COCc1ncco1 34a_100016283227_103436540062 [0,0,1,0,0,0|2,1,0]=4 1146 B13R1.119 C=CCNCCSCc1ccco1 2230a_100000184675_100000210623 [0,0,1,0,0,0|1,0,2]=4 1147 B13R1.119 C=CCNCCSCc1ccco1 7a_100000184675_100015514636 [0,0,1,0,0,0|1,0,2]=4 1148 B13R1.404 C=COC(=O)CNCc1ccco1 2230a_100000185738_100000036128 [0,0,1,0,0,0|2,0,0]=3 1149 B13R1.404 C=COC(=O)CNCc1ccco1 34a_100000185738_100000036128 [0,0,1,0,0,0|2,0,0]=3 1150 B13R1.404 C=COC(=O)CNCc1cccs1 2230a_100000211653_100000036128 [0,0,1,0,0,0|2,1,0]=4 1151 B13R1.404 C=COC(=O)CNCc1ncco1 2230a_100016994969_100000036128 [0,0,1,0,0,0|3,0,0]=4 1152 B13R1.404 C=COC(=O)COCc1ccco1 34a_100000210059_100000036128 [0,0,1,0,0,0|1,1,0]=3 1153 B13R1.404 C=COC(=O)COCc1cccs1 34a_100000211240_100000036128 [0,0,1,0,0,0|1,2,0]=4 1154 B13R1.404 C=COC(=O)COCc1ccno1 34a_100000740478_100000036128 [0,0,1,0,0,0|2,1,0]=4 1155 B13R1.404 C=COC(=O)COCc1ncco1 34a_100000062594_100000036128 [0,0,1,0,0,0|2,1,0]=4 1156 B13R1.404 C=COC(=O)CSCc1c[nH]cn1 62a_100000036128_100000707719 [0,0,1,0,0,0|3,0,0]=4 1157 B13R1.404 C=COC(=O)CSCc1c[nH]cn1 62a_100000707719_100000036128 [0,0,1,0,0,0|3,0,0]=4 1158 B13R1.404 C=COC(=O)CSCc1ccn[nH]1 62a_100000036128_100000728653 [0,0,1,0,0,0|3,0,0]=4 1159 B13R1.404 C=COC(=O)CSCc1ccn[nH]1 62a_100000728653_100000036128 [0,0,1,0,0,0|3,0,0]=4 1160 B13R1.404 C=COC(=O)CSCc1ccon1 62a_100000036128_100000234950 [0,0,1,0,0,0|3,0,0]=4 1161 B13R1.404 C=COC(=O)CSCc1ccon1 62a_100000234950_100000036128 [0,0,1,0,0,0|3,0,0]=4 1162 B13R1.404 C=COC(=O)CSCc1ccsc1 62a_100000036128_100011233845 [0,0,1,0,0,0|3,0,0]=4 1163 B13R1.404 C=COC(=O)CSCc1ccsc1 62a_100011261437_100000036128 [0,0,1,0,0,0|3,0,0]=4 1164 B13R1.404 C=COC(=O)CSCc1cncs1 62a_100000036128_100015185245 [0,0,1,0,0,0|2,1,0]=4 1165 B13R1.404 C=COC(=O)CSCc1cncs1 62a_100015185245_100000036128 [0,0,1,0,0,0|2,1,0]=4 1166 B13R1.404 C=COC(=O)CSCc1cscn1 62a_100000036128_100000205941 [0,0,1,0,0,0|3,0,0]=4 1167 B13R1.404 C=COC(=O)CSCc1cscn1 62a_100000205941_100000036128 [0,0,1,0,0,0|3,0,0]=4 1168 B13R1.404 C=COC(=O)CSCc1ncc[nH]1 62a_100000036128_100016991755 [0,0,1,0,0,0|3,0,0]=4 1169 B13R1.404 C=COC(=O)CSCc1ncc[nH]1 62a_100016991755_100000036128 [0,0,1,0,0,0|3,0,0]=4 1170 B13R1.404 C=COC(=O)CSCc1ncco1 62a_100000036128_103436540062 [0,0,1,0,0,0|2,0,0]=3 1171 B13R1.404 C=COC(=O)CSCc1ncco1 62a_103436540062_100000036128 [0,0,1,0,0,0|2,0,0]=3 1172 B13R1.404 C=COC(=O)CSCc1nccs1 62a_100000036128_100015184050 [0,0,1,0,0,0|2,1,0]=4 1173 B13R1.404 C=COC(=O)CSCc1nccs1 62a_100015184050_100000036128 [0,0,1,0,0,0|2,1,0]=4 1174 B13R2.183 c1c[nH]c(n1)CSc2cnco2 62a_100016991755_100020591547 [0,0,0,0,1,0|3,0,0]=4 1175 B13R2.183 c1c[nH]c(n1)CSc2cnco2 62a_100020591547_100016991755 [0,0,0,0,1,0|3,0,0]=4 1176 B13R2.183 c1c[nH]c(n1)CSc2ncco2 62a_100011787736_100016991755 [0,0,0,0,1,0|3,0,0]=4 1177 B13R2.183 c1c[nH]c(n1)CSc2ncco2 62a_100016991755_100011787736 [0,0,0,0,1,0|3,0,0]=4 1178 B13R2.183 c1c[nH]c(n1)SCc2ncco2 62a_100025796157_103436540062 [0,0,0,0,1,0|3,0,0]=4 1179 B13R2.183 c1c[nH]c(n1)SCc2ncco2 62a_103436540062_100025796157 [0,0,0,0,1,0|3,0,0]=4 1180 B13R2.183 c1cc([nH]n1)CSc2cnco2 62a_100000728653_100020591547 [0,0,0,0,1,0|3,0,0]=4 1181 B13R2.183 c1cc([nH]n1)CSc2cnco2 62a_100020591547_100000728653 [0,0,0,0,1,0|3,0,0]=4 1182 B13R2.183 c1cc([nH]n1)CSc2ncco2 62a_100000728653_100011787736 [0,0,0,0,1,0|3,0,0]=4 1183 B13R2.183 c1cc([nH]n1)CSc2ncco2 62a_100011787736_100000728653 [0,0,0,0,1,0|3,0,0]=4 1184 B13R2.183 c1cc(no1)CSc2cnco2 62a_100000234950_100020591547 [0,0,0,0,1,0|3,0,0]=4 1185 B13R2.183 c1cc(no1)CSc2cnco2 62a_100020591547_100000234950 [0,0,0,0,1,0|3,0,0]=4 1186 B13R2.183 c1coc(c1)SCc2c[nH]cn2 62a_100000707719_100009814098 [0,0,0,0,1,0|2,0,0]=3 1187 B13R2.183 c1coc(c1)SCc2c[nH]cn2 62a_100009814098_100000707719 [0,0,0,0,1,0|2,0,0]=3 1188 B13R2.183 c1coc(c1)SCc2ccn[nH]2 62a_100000728653_100009814098 [0,0,0,0,1,0|2,0,0]=3 1189 B13R2.183 c1coc(c1)SCc2ccn[nH]2 62a_100009814098_100000728653 [0,0,0,0,1,0|2,0,0]=3 1190 B13R2.183 c1coc(c1)SCc2ccon2 62a_100000234950_100009814098 [0,0,0,0,1,0|2,0,0]=3 1191 B13R2.183 c1coc(c1)SCc2ccon2 62a_100009814098_100000234950 [0,0,0,0,1,0|2,0,0]=3 1192 B13R2.183 c1coc(c1)SCc2ccsc2 62a_100009814098_100011233845 [0,0,0,0,1,0|2,0,0]=3 1193 B13R2.183 c1coc(c1)SCc2ccsc2 62a_100011261437_100009814098 [0,0,0,0,1,0|2,0,0]=3 1194 B13R2.183 c1coc(c1)SCc2cncs2 62a_100009814098_100015185245 [0,0,0,0,1,0|1,1,0]=3 1195 B13R2.183 c1coc(c1)SCc2cncs2 62a_100015185245_100009814098 [0,0,0,0,1,0|1,1,0]=3 1196 B13R2.183 c1coc(c1)SCc2cscn2 62a_100000205941_100009814098 [0,0,0,0,1,0|2,0,0]=3 1197 B13R2.183 c1coc(c1)SCc2cscn2 62a_100009814098_100000205941 [0,0,0,0,1,0|2,0,0]=3 1198 B13R2.183 c1coc(c1)SCc2ncc[nH]2 62a_100009814098_100016991755 [0,0,0,0,1,0|2,0,0]=3 1199 B13R2.183 c1coc(c1)SCc2ncc[nH]2 62a_100016991755_100009814098 [0,0,0,0,1,0|2,0,0]=3 1200 B13R2.183 c1coc(c1)SCc2ncco2 62a_100009814098_103436540062 [0,0,0,0,1,0|1,0,0]=2 1201 B13R2.183 c1coc(c1)SCc2ncco2 62a_103436540062_100009814098 [0,0,0,0,1,0|1,0,0]=2 1202 B13R2.183 c1coc(c1)SCc2nccs2 62a_100009814098_100015184050 [0,0,0,0,1,0|1,1,0]=3 1203 B13R2.183 c1coc(c1)SCc2nccs2 62a_100015184050_100009814098 [0,0,0,0,1,0|1,1,0]=3 1204 B13R2.183 c1coc(c1)SCc2ncon2 62a_100000233494_100009814098 [0,0,0,0,1,0|3,0,0]=4 1205 B13R2.183 c1coc(c1)SCc2ncon2 62a_100009814098_100000233494 [0,0,0,0,1,0|3,0,0]=4 1206 B13R2.183 c1coc(c1)SCn2cncn2 62a_100009814098_200020645497 [0,0,0,0,1,0|3,0,0]=4 1207 B13R2.183 c1coc(c1)SCn2cncn2 62a_200020645497_100009814098 [0,0,0,0,1,0|3,0,0]=4 1208 B13R2.183 c1coc(n1)CSc2c[nH]cn2 62a_100000756875_103436540062 [0,0,0,0,1,0|3,0,0]=4 1209 B13R2.183 c1coc(n1)CSc2c[nH]cn2 62a_103436540062_100000756875 [0,0,0,0,1,0|3,0,0]=4 1210 B13R2.183 c1coc(n1)CSc2cc[nH]n2 62a_100000062575_103436540062 [0,0,0,0,1,0|3,0,0]=4 1211 B13R2.183 c1coc(n1)CSc2cc[nH]n2 62a_103436540062_100000062575 [0,0,0,0,1,0|3,0,0]=4 1212 B13R2.183 c1coc(n1)CSc2ccoc2 62a_100011215275_103436540062 [0,0,0,0,1,0|3,0,0]=4 1213 B13R2.183 c1coc(n1)CSc2ccoc2 62a_103436540062_100011215275 [0,0,0,0,1,0|3,0,0]=4 1214 B13R2.183 c1coc(n1)CSc2ccon2 62a_100009818083_103436540062 [0,0,0,0,1,0|3,0,0]=4 1215 B13R2.183 c1coc(n1)CSc2ccon2 62a_103436540062_100009818083 [0,0,0,0,1,0|3,0,0]=4 1216 B13R2.183 c1coc(n1)CSc2ccsc2 62a_100000738268_103436540062 [0,0,0,0,1,0|3,0,0]=4 1217 B13R2.183 c1coc(n1)CSc2ccsc2 62a_103436540062_100000738268 [0,0,0,0,1,0|3,0,0]=4 1218 B13R2.183 c1coc(n1)CSc2ccsn2 62a_100009818082_103436540062 [0,0,0,0,1,0|3,0,0]=4 1219 B13R2.183 c1coc(n1)CSc2ccsn2 62a_103436540062_100009818082 [0,0,0,0,1,0|3,0,0]=4 1220 B13R2.183 c1coc(n1)CSc2cnco2 62a_100020591547_103436540062 [0,0,0,0,1,0|2,0,0]=3 1221 B13R2.183 c1coc(n1)CSc2cnco2 62a_103436540062_100020591547 [0,0,0,0,1,0|2,0,0]=3 1222 B13R2.183 c1coc(n1)CSc2cncs2 62a_100011934649_103436540062 [0,0,0,0,1,0|2,1,0]=4 1223 B13R2.183 c1coc(n1)CSc2cncs2 62a_103436540062_100011934649 [0,0,0,0,1,0|2,1,0]=4 1224 B13R2.183 c1coc(n1)CSc2cscn2 62a_100000751502_103436540062 [0,0,0,0,1,0|3,0,0]=4 1225 B13R2.183 c1coc(n1)CSc2cscn2 62a_103436540062_100000751502 [0,0,0,0,1,0|3,0,0]=4 1226 B13R2.183 c1coc(n1)CSc2ncco2 62a_100011787736_103436540062 [0,0,0,0,1,0|2,0,0]=3 1227 B13R2.183 c1coc(n1)CSc2ncco2 62a_103436540062_100011787736 [0,0,0,0,1,0|2,0,0]=3 1228 B13R2.183 c1coc(n1)CSc2nccs2 62a_100000211983_103436540062 [0,0,0,0,1,0|2,1,0]=4 1229 B13R2.183 c1coc(n1)CSc2nccs2 62a_103436540062_100000211983 [0,0,0,0,1,0|2,1,0]=4 1230 B13R2.183 c1coc(n1)SCc2c[nH]cn2 62a_100000707719_100011787736 [0,0,0,0,1,0|3,0,0]=4 1231 B13R2.183 c1coc(n1)SCc2c[nH]cn2 62a_100011787736_100000707719 [0,0,0,0,1,0|3,0,0]=4 1232 B13R2.183 c1coc(n1)SCc2ccon2 62a_100000234950_100011787736 [0,0,0,0,1,0|3,0,0]=4 1233 B13R2.183 c1coc(n1)SCc2ccon2 62a_100011787736_100000234950 [0,0,0,0,1,0|3,0,0]=4 1234 B13R2.183 c1coc(n1)SCc2ccsc2 62a_100011261437_100011787736 [0,0,0,0,1,0|3,0,0]=4 1235 B13R2.183 c1coc(n1)SCc2ccsc2 62a_100011787736_100011233845 [0,0,0,0,1,0|3,0,0]=4 1236 B13R2.183 c1coc(n1)SCc2cncs2 62a_100011787736_100015185245 [0,0,0,0,1,0|2,1,0]=4 1237 B13R2.183 c1coc(n1)SCc2cncs2 62a_100015185245_100011787736 [0,0,0,0,1,0|2,1,0]=4 1238 B13R2.183 c1coc(n1)SCc2cscn2 62a_100000205941_100011787736 [0,0,0,0,1,0|3,0,0]=4 1239 B13R2.183 c1coc(n1)SCc2cscn2 62a_100011787736_100000205941 [0,0,0,0,1,0|3,0,0]=4 1240 B13R2.183 c1coc(n1)SCc2nccs2 62a_100011787736_100015184050 [0,0,0,0,1,0|2,1,0]=4 1241 B13R2.183 c1coc(n1)SCc2nccs2 62a_100015184050_100011787736 [0,0,0,0,1,0|2,1,0]=4 1242 B13R2.183 c1csc(c1)SCc2c[nH]cn2 62a_100000707719_100011215356 [0,0,0,0,1,0|2,1,0]=4 1243 B13R2.183 c1csc(c1)SCc2c[nH]cn2 62a_100011215356_100000707719 [0,0,0,0,1,0|2,1,0]=4 1244 B13R2.183 c1csc(c1)SCc2ccn[nH]2 62a_100000728653_100011215356 [0,0,0,0,1,0|2,1,0]=4 1245 B13R2.183 c1csc(c1)SCc2ccn[nH]2 62a_100011215356_100000728653 [0,0,0,0,1,0|2,1,0]=4 1246 B13R2.183 c1csc(c1)SCc2ccon2 62a_100000234950_100011215356 [0,0,0,0,1,0|2,1,0]=4 1247 B13R2.183 c1csc(c1)SCc2ccon2 62a_100011215356_100000234950 [0,0,0,0,1,0|2,1,0]=4 1248 B13R2.183 c1csc(c1)SCc2ccsc2 62a_100011215356_100011233845 [0,0,0,0,1,0|2,1,0]=4 1249 B13R2.183 c1csc(c1)SCc2ccsc2 62a_100011261437_100011215356 [0,0,0,0,1,0|2,1,0]=4 1250 B13R2.183 c1csc(c1)SCc2cncs2 62a_100011215356_100015185245 [0,0,0,0,1,0|1,2,0]=4 1251 B13R2.183 c1csc(c1)SCc2cncs2 62a_100015185245_100011215356 [0,0,0,0,1,0|1,2,0]=4 1252 B13R2.183 c1csc(c1)SCc2cscn2 62a_100000205941_100011215356 [0,0,0,0,1,0|2,1,0]=4 1253 B13R2.183 c1csc(c1)SCc2cscn2 62a_100011215356_100000205941 [0,0,0,0,1,0|2,1,0]=4 1254 B13R2.183 c1csc(c1)SCc2ncc[nH]2 62a_100011215356_100016991755 [0,0,0,0,1,0|2,1,0]=4 1255 B13R2.183 c1csc(c1)SCc2ncc[nH]2 62a_100016991755_100011215356 [0,0,0,0,1,0|2,1,0]=4 1256 B13R2.183 c1csc(c1)SCc2ncco2 62a_100011215356_103436540062 [0,0,0,0,1,0|1,1,0]=3 1257 B13R2.183 c1csc(c1)SCc2ncco2 62a_103436540062_100011215356 [0,0,0,0,1,0|1,1,0]=3 1258 B13R2.183 c1csc(c1)SCc2nccs2 62a_100011215356_100015184050 [0,0,0,0,1,0|1,2,0]=4 1259 B13R2.183 c1csc(c1)SCc2nccs2 62a_100015184050_100011215356 [0,0,0,0,1,0|1,2,0]=4 1260 B13R2.183 c1csc(n1)CSc2cnco2 62a_100015184050_100020591547 [0,0,0,0,1,0|2,1,0]=4 1261 B13R2.183 c1csc(n1)CSc2cnco2 62a_100020591547_100015184050 [0,0,0,0,1,0|2,1,0]=4 1262 B13R2.183 c1nc(c[nH]1)CSc2cnco2 62a_100000707719_100020591547 [0,0,0,0,1,0|3,0,0]=4 1263 B13R2.183 c1nc(c[nH]1)CSc2cnco2 62a_100020591547_100000707719 [0,0,0,0,1,0|3,0,0]=4 1264 B13R2.183 c1ncc(o1)SCc2ccsc2 62a_100011261437_100020591547 [0,0,0,0,1,0|3,0,0]=4 1265 B13R2.183 c1ncc(o1)SCc2ccsc2 62a_100020591547_100011233845 [0,0,0,0,1,0|3,0,0]=4 1266 B13R2.183 c1ncc(o1)SCc2cncs2 62a_100015185245_100020591547 [0,0,0,0,1,0|2,1,0]=4 1267 B13R2.183 c1ncc(o1)SCc2cncs2 62a_100020591547_100015185245 [0,0,0,0,1,0|2,1,0]=4 1268 B13R2.183 c1ncc(o1)SCc2cscn2 62a_100000205941_100020591547 [0,0,0,0,1,0|3,0,0]=4 1269 B13R2.183 c1ncc(o1)SCc2cscn2 62a_100020591547_100000205941 [0,0,0,0,1,0|3,0,0]=4 1270 B15R2.2194 c1ccn(c1)CCSCc2ncco2 62a_103436540062_200000035178 [0,0,0,0,0,1|3,0,0]=4 1271 B15R2.2194 c1ccn(c1)CCSCc2ncco2 62a_200009811947_103436540062 [0,0,0,0,0,1|3,0,0]=4 1272 B15R2.2194 c1cnn(c1)CCSCc2ncco2 62a_100015204718_103436540062 [0,0,0,0,0,1|3,0,0]=4 1273 B15R2.2194 c1cnn(c1)CCSCc2ncco2 62a_103436540062_100000685285 [0,0,0,0,0,1|3,0,0]=4 1274 B15R2.2194 c1coc(c1)CCNCc2c[nH]cn2 2230a_100000694680_100000707719 [0,0,0,0,0,1|3,0,0]=4 1275 B15R2.2194 c1coc(c1)CCNCc2c[nH]cn2 34a_100000694680_100000707719 [0,0,0,0,0,1|3,0,0]=4 1276 B15R2.2194 c1coc(c1)CCNCc2cc[nH]n2 207a_100000694680_100000738523 [0,0,0,0,0,1|3,0,0]=4 1277 B15R2.2194 c1coc(c1)CCNCc2cc[nH]n2 270004a_100000694680_100000738523 [0,0,0,0,0,1|3,0,0]=4 1278 B15R2.2194 c1coc(c1)CCNCc2ccco2 207a_100000694680_100000186105 [0,0,0,0,0,1|1,0,0]=2 1279 B15R2.2194 c1coc(c1)CCNCc2ccco2 270004a_100000694680_100000186105 [0,0,0,0,0,1|1,0,0]=2 1280 B15R2.2194 c1coc(c1)CCNCc2cccs2 207a_100000694680_100000209959 [0,0,0,0,0,1|1,1,0]=3 1281 B15R2.2194 c1coc(c1)CCNCc2cccs2 270004a_100000694680_100000209959 [0,0,0,0,0,1|1,1,0]=3 1282 B15R2.2194 c1coc(c1)CCNCc2ccn[nH]2 2230a_100000694680_100000728653 [0,0,0,0,0,1|3,0,0]=4 1283 B15R2.2194 c1coc(c1)CCNCc2ccn[nH]2 34a_100000694680_100000728653 [0,0,0,0,0,1|3,0,0]=4 1284 B15R2.2194 c1coc(c1)CCNCc2ccoc2 207a_100000694680_100011215517 [0,0,0,0,0,1|3,0,0]=4 1285 B15R2.2194 c1coc(c1)CCNCc2ccoc2 270004a_100000694680_100011215517 [0,0,0,0,0,1|3,0,0]=4 1286 B15R2.2194 c1coc(c1)CCNCc2ccon2 2230a_100000694680_100000234950 [0,0,0,0,0,1|3,0,0]=4 1287 B15R2.2194 c1coc(c1)CCNCc2ccon2 34a_100000694680_100000234950 [0,0,0,0,0,1|3,0,0]=4 1288 B15R2.2194 c1coc(c1)CCNCc2ccsc2 207a_100000694680_100000188534 [0,0,0,0,0,1|3,0,0]=4 1289 B15R2.2194 c1coc(c1)CCNCc2ccsc2 2230a_100000694680_100011261437 [0,0,0,0,0,1|3,0,0]=4 1290 B15R2.2194 c1coc(c1)CCNCc2ccsc2 270004a_100000694680_100000188534 [0,0,0,0,0,1|3,0,0]=4 1291 B15R2.2194 c1coc(c1)CCNCc2ccsc2 34a_100000694680_100011261437 [0,0,0,0,0,1|3,0,0]=4 1292 B15R2.2194 c1coc(c1)CCNCc2cnc[nH]2 207a_100000694680_100000742939 [0,0,0,0,0,1|3,0,0]=4 1293 B15R2.2194 c1coc(c1)CCNCc2cnco2 270004a_100000694680_100000064291 [0,0,0,0,0,1|2,0,0]=3 1294 B15R2.2194 c1coc(c1)CCNCc2cncs2 207a_100000694680_100000749870 [0,0,0,0,0,1|2,1,0]=4 1295 B15R2.2194 c1coc(c1)CCNCc2cncs2 2230a_100000694680_100015185245 [0,0,0,0,0,1|2,1,0]=4 1296 B15R2.2194 c1coc(c1)CCNCc2cncs2 270004a_100000694680_100000749870 [0,0,0,0,0,1|2,1,0]=4 1297 B15R2.2194 c1coc(c1)CCNCc2cncs2 34a_100000694680_100015185245 [0,0,0,0,0,1|2,1,0]=4 1298 B15R2.2194 c1coc(c1)CCNCc2cocn2 270004a_100000694680_100000050382 [0,0,0,0,0,1|3,0,0]=4 1299 B15R2.2194 c1coc(c1)CCNCc2cscn2 207a_100000694680_100000743575 [0,0,0,0,0,1|3,0,0]=4 1300 B15R2.2194 c1coc(c1)CCNCc2cscn2 2230a_100000694680_100000205941 [0,0,0,0,0,1|3,0,0]=4 1301 B15R2.2194 c1coc(c1)CCNCc2cscn2 270004a_100000694680_100000743575 [0,0,0,0,0,1|3,0,0]=4 1302 B15R2.2194 c1coc(c1)CCNCc2cscn2 34a_100000694680_100000205941 [0,0,0,0,0,1|3,0,0]=4 1303 B15R2.2194 c1coc(c1)CCNCc2ncc[nH]2 207a_100000694680_100000743867 [0,0,0,0,0,1|3,0,0]=4 1304 B15R2.2194 c1coc(c1)CCNCc2ncc[nH]2 2230a_100000694680_100016991755 [0,0,0,0,0,1|3,0,0]=4 1305 B15R2.2194 c1coc(c1)CCNCc2ncc[nH]2 34a_100000694680_100016991755 [0,0,0,0,0,1|3,0,0]=4 1306 B15R2.2194 c1coc(c1)CCNCc2ncco2 2230a_100000694680_103436540062 [0,0,0,0,0,1|2,0,0]=3 1307 B15R2.2194 c1coc(c1)CCNCc2ncco2 270004a_100000694680_100000064290 [0,0,0,0,0,1|2,0,0]=3 1308 B15R2.2194 c1coc(c1)CCNCc2ncco2 34a_100000694680_103436540062 [0,0,0,0,0,1|2,0,0]=3 1309 B15R2.2194 c1coc(c1)CCNCc2nccs2 207a_100000694680_100000750902 [0,0,0,0,0,1|2,1,0]=4 1310 B15R2.2194 c1coc(c1)CCNCc2nccs2 2230a_100000694680_100015184050 [0,0,0,0,0,1|2,1,0]=4 1311 B15R2.2194 c1coc(c1)CCNCc2nccs2 270004a_100000694680_100000750902 [0,0,0,0,0,1|2,1,0]=4 1312 B15R2.2194 c1coc(c1)CCNCc2nccs2 34a_100000694680_100015184050 [0,0,0,0,0,1|2,1,0]=4 1313 B15R2.2194 c1coc(c1)CNCCc2c[nH]cn2 2230a_100000185738_100020628418 [0,0,0,0,0,1|3,0,0]=4 1314 B15R2.2194 c1coc(c1)CNCCc2c[nH]cn2 270004a_100000755092_100000186105 [0,0,0,0,0,1|3,0,0]=4 1315 B15R2.2194 c1coc(c1)CNCCc2cccs2 207a_100000203755_100000186105 [0,0,0,0,0,1|1,1,0]=3 1316 B15R2.2194 c1coc(c1)CNCCc2cccs2 2230a_100000185738_100000748579 [0,0,0,0,0,1|1,1,0]=3 1317 B15R2.2194 c1coc(c1)CNCCc2cccs2 270004a_100000203755_100000186105 [0,0,0,0,0,1|1,1,0]=3 1318 B15R2.2194 c1coc(c1)CNCCc2cccs2 34a_100000185738_100000748579 [0,0,0,0,0,1|1,1,0]=3 1319 B15R2.2194 c1coc(c1)CNCCc2ccsc2 207a_100000692642_100000186105 [0,0,0,0,0,1|3,0,0]=4 1320 B15R2.2194 c1coc(c1)CNCCc2ccsc2 270004a_100000692642_100000186105 [0,0,0,0,0,1|3,0,0]=4 1321 B15R2.2194 c1coc(c1)CNCCc2cncs2 207a_100016991637_100000186105 [0,0,0,0,0,1|2,1,0]=4 1322 B15R2.2194 c1coc(c1)CNCCc2cncs2 270004a_100016991637_100000186105 [0,0,0,0,0,1|2,1,0]=4 1323 B15R2.2194 c1coc(c1)CNCCc2ncc[nH]2 207a_100000754300_100000186105 [0,0,0,0,0,1|3,0,0]=4 1324 B15R2.2194 c1coc(c1)CNCCc2ncc[nH]2 270004a_100000754300_100000186105 [0,0,0,0,0,1|3,0,0]=4 1325 B15R2.2194 c1coc(c1)CNCCc2nccs2 207a_100015186391_100000186105 [0,0,0,0,0,1|2,1,0]=4 1326 B15R2.2194 c1coc(c1)CNCCc2nccs2 270004a_100015186391_100000186105 [0,0,0,0,0,1|2,1,0]=4 1327 B15R2.2194 c1coc(c1)CNCCn2cccc2 207a_100011368172_100000186105 [0,0,0,0,0,1|3,0,0]=4 1328 B15R2.2194 c1coc(c1)CNCCn2cccc2 2230a_100000185738_200009811947 [0,0,0,0,0,1|3,0,0]=4 1329 B15R2.2194 c1coc(c1)CNCCn2cccc2 270004a_100011368172_100000186105 [0,0,0,0,0,1|3,0,0]=4 1330 B15R2.2194 c1coc(c1)CNCCn2cccn2 207a_100011200920_100000186105 [0,0,0,0,0,1|3,0,0]=4 1331 B15R2.2194 c1coc(c1)CNCCn2cccn2 2230a_100000185738_100000685285 [0,0,0,0,0,1|3,0,0]=4 1332 B15R2.2194 c1coc(c1)CNCCn2cccn2 270004a_100011200920_100000186105 [0,0,0,0,0,1|3,0,0]=4 1333 B15R2.2194 c1coc(c1)CNCCn2cccn2 34a_100000185738_100015204718 [0,0,0,0,0,1|3,0,0]=4 1334 B15R2.2194 c1coc(c1)COCCc2cccs2 34a_100000210059_100000748579 [0,0,0,0,0,1|0,2,0]=3 1335 B15R2.2194 c1coc(c1)COCCn2cccn2 34a_100000210059_100015204718 [0,0,0,0,0,1|2,1,0]=4 1336 B15R2.2194 c1coc(c1)SCCCc2cccs2 62a_100009814098_100010992444 [0,0,0,0,0,1|1,1,0]=3 1337 B15R2.2194 c1coc(c1)SCCCc2cccs2 62a_100010992444_100009814098 [0,0,0,0,0,1|1,1,0]=3 1338 B15R2.2194 c1coc(c1)SCCCn2cccc2 62a_100009814098_200009814367 [0,0,0,0,0,1|3,0,0]=4 1339 B15R2.2194 c1coc(c1)SCCCn2cccc2 62a_200009814367_100009814098 [0,0,0,0,0,1|3,0,0]=4 1340 B15R2.2194 c1coc(c1)SCCCn2cccn2 62a_100000739983_100009814098 [0,0,0,0,0,1|3,0,0]=4 1341 B15R2.2194 c1coc(c1)SCCCn2cccn2 62a_100009814098_100000739983 [0,0,0,0,0,1|3,0,0]=4 1342 B15R2.2194 c1coc(n1)CSCCc2c[nH]cn2 62a_100020628418_103436540062 [0,0,0,0,0,1|3,0,0]=4 1343 B15R2.2194 c1coc(n1)CSCCc2c[nH]cn2 62a_103436540062_100020628418 [0,0,0,0,0,1|3,0,0]=4 1344 B15R2.2194 c1csc(c1)CCCSc2cccs2 62a_100010992444_100011215356 [0,0,0,0,0,1|1,2,0]=4 1345 B15R2.2194 c1csc(c1)CCCSc2cccs2 62a_100011215356_100010992444 [0,0,0,0,0,1|1,2,0]=4 1346 B15R2.2194 c1csc(c1)CCCSc2cnco2 62a_100010992444_100020591547 [0,0,0,0,0,1|2,1,0]=4 1347 B15R2.2194 c1csc(c1)CCCSc2cnco2 62a_100020591547_100010992444 [0,0,0,0,0,1|2,1,0]=4 1348 B15R2.2194 c1csc(c1)CCCSc2ncco2 62a_100010992444_100011787736 [0,0,0,0,0,1|2,1,0]=4 1349 B15R2.2194 c1csc(c1)CCCSc2ncco2 62a_100011787736_100010992444 [0,0,0,0,0,1|2,1,0]=4 1350 B15R2.2194 c1csc(c1)CCNCc2cccs2 207a_100000203755_100000209959 [0,0,0,0,0,1|1,2,0]=4 1351 B15R2.2194 c1csc(c1)CCNCc2cccs2 2230a_100000211653_100000748579 [0,0,0,0,0,1|1,2,0]=4 1352 B15R2.2194 c1csc(c1)CCNCc2cccs2 270004a_100000203755_100000209959 [0,0,0,0,0,1|1,2,0]=4 1353 B15R2.2194 c1csc(c1)CCNCc2cnco2 270004a_100000203755_100000064291 [0,0,0,0,0,1|2,1,0]=4 1354 B15R2.2194 c1csc(c1)CCNCc2ncco2 2230a_100000203755_103436540062 [0,0,0,0,0,1|2,1,0]=4 1355 B15R2.2194 c1csc(c1)CCNCc2ncco2 2230a_100016994969_100000748579 [0,0,0,0,0,1|2,1,0]=4 1356 B15R2.2194 c1csc(c1)CCNCc2ncco2 270004a_100000203755_100000064290 [0,0,0,0,0,1|2,1,0]=4 1357 B15R2.2194 c1csc(c1)CCNCc2ncco2 34a_100000203755_103436540062 [0,0,0,0,0,1|2,1,0]=4 1358 B15R2.2194 c1csc(c1)CCOCc2cccs2 34a_100000211240_100000748579 [0,0,0,0,0,1|0,3,0]=4 1359 B15R2.2194 c1csc(c1)CCOCc2ccno2 34a_100000740478_100000748579 [0,0,0,0,0,1|1,2,0]=4 1360 B15R2.2194 c1csc(c1)CCOCc2ncco2 34a_100000062594_100000748579 [0,0,0,0,0,1|1,2,0]=4 1361 B15R2.2194 c1csc(c1)CCOCc2ncco2 34a_100011216825_103436540062 [0,0,0,0,0,1|1,2,0]=4 1362 B15R2.2194 c1csc(c1)CCOCc2ncco2 7a_100011216825_103436540062 [0,0,0,0,0,1|1,2,0]=4 1363 B15R2.2194 c1csc(c1)CCSCc2c[nH]cn2 62a_100000707719_100000748579 [0,0,0,0,0,1|2,1,0]=4 1364 B15R2.2194 c1csc(c1)CCSCc2c[nH]cn2 62a_100000748579_100000707719 [0,0,0,0,0,1|2,1,0]=4 1365 B15R2.2194 c1csc(c1)CCSCc2ccn[nH]2 62a_100000728653_100000748579 [0,0,0,0,0,1|2,1,0]=4 1366 B15R2.2194 c1csc(c1)CCSCc2ccn[nH]2 62a_100000748579_100000728653 [0,0,0,0,0,1|2,1,0]=4 1367 B15R2.2194 c1csc(c1)CCSCc2ccon2 62a_100000234950_100000748579 [0,0,0,0,0,1|2,1,0]=4 1368 B15R2.2194 c1csc(c1)CCSCc2ccon2 62a_100000748579_100000234950 [0,0,0,0,0,1|2,1,0]=4 1369 B15R2.2194 c1csc(c1)CCSCc2ccsc2 62a_100000748579_100011233845 [0,0,0,0,0,1|2,1,0]=4 1370 B15R2.2194 c1csc(c1)CCSCc2ccsc2 62a_100011261437_100000748579 [0,0,0,0,0,1|2,1,0]=4 1371 B15R2.2194 c1csc(c1)CCSCc2cncs2 62a_100000748579_100015185245 [0,0,0,0,0,1|1,2,0]=4 1372 B15R2.2194 c1csc(c1)CCSCc2cncs2 62a_100015185245_100000748579 [0,0,0,0,0,1|1,2,0]=4 1373 B15R2.2194 c1csc(c1)CCSCc2cscn2 62a_100000205941_100000748579 [0,0,0,0,0,1|2,1,0]=4 1374 B15R2.2194 c1csc(c1)CCSCc2cscn2 62a_100000748579_100000205941 [0,0,0,0,0,1|2,1,0]=4 1375 B15R2.2194 c1csc(c1)CCSCc2ncc[nH]2 62a_100000748579_100016991755 [0,0,0,0,0,1|2,1,0]=4 1376 B15R2.2194 c1csc(c1)CCSCc2ncc[nH]2 62a_100016991755_100000748579 [0,0,0,0,0,1|2,1,0]=4 1377 B15R2.2194 c1csc(c1)CCSCc2ncco2 62a_100000748579_103436540062 [0,0,0,0,0,1|1,1,0]=3 1378 B15R2.2194 c1csc(c1)CCSCc2ncco2 62a_103436540062_100000748579 [0,0,0,0,0,1|1,1,0]=3 1379 B15R2.2194 c1csc(c1)CCSCc2nccs2 62a_100000748579_100015184050 [0,0,0,0,0,1|1,2,0]=4 1380 B15R2.2194 c1csc(c1)CCSCc2nccs2 62a_100015184050_100000748579 [0,0,0,0,0,1|1,2,0]=4 1381 B15R2.2196 C(=Cc1ccco1)Cc2ccccc2 271570a_200016263579_100009814098 [0,0,0,0,0,1|2,0,1]=4 1382 B15R2.2196 c1cc(ccn1)CNCc2cnco2 207a_100020634212_100000186114 [0,0,0,0,0,1|3,0,0]=4 1383 B15R2.2196 c1cc(ccn1)CNCc2ncco2 207a_100016994969_100000186114 [0,0,0,0,0,1|3,0,0]=4 1384 B15R2.2196 c1cc(ccn1)CNCc2ncco2 2230a_100016994969_100015193705 [0,0,0,0,0,1|3,0,0]=4 1385 B15R2.2196 c1cc(ccn1)CSCc2c[nH]cn2 62a_100000707719_100015193705 [0,0,0,0,0,1|3,0,0]=4 1386 B15R2.2196 c1cc(ccn1)CSCc2c[nH]cn2 62a_100015193705_100000707719 [0,0,0,0,0,1|3,0,0]=4 1387 B15R2.2196 c1cc(ccn1)CSCc2ccn[nH]2 62a_100000728653_100015193705 [0,0,0,0,0,1|3,0,0]=4 1388 B15R2.2196 c1cc(ccn1)CSCc2ccn[nH]2 62a_100015193705_100000728653 [0,0,0,0,0,1|3,0,0]=4 1389 B15R2.2196 c1cc(ccn1)CSCc2ccon2 62a_100000234950_100015193705 [0,0,0,0,0,1|3,0,0]=4 1390 B15R2.2196 c1cc(ccn1)CSCc2ccon2 62a_100015193705_100000234950 [0,0,0,0,0,1|3,0,0]=4 1391 B15R2.2196 c1cc(ccn1)CSCc2ccsc2 62a_100011261437_100015193705 [0,0,0,0,0,1|3,0,0]=4 1392 B15R2.2196 c1cc(ccn1)CSCc2ccsc2 62a_100015193705_100011233845 [0,0,0,0,0,1|3,0,0]=4 1393 B15R2.2196 c1cc(ccn1)CSCc2cncs2 62a_100015185245_100015193705 [0,0,0,0,0,1|2,1,0]=4 1394 B15R2.2196 c1cc(ccn1)CSCc2cncs2 62a_100015193705_100015185245 [0,0,0,0,0,1|2,1,0]=4 1395 B15R2.2196 c1cc(ccn1)CSCc2cscn2 62a_100000205941_100015193705 [0,0,0,0,0,1|3,0,0]=4 1396 B15R2.2196 c1cc(ccn1)CSCc2cscn2 62a_100015193705_100000205941 [0,0,0,0,0,1|3,0,0]=4 1397 B15R2.2196 c1cc(ccn1)CSCc2ncc[nH]2 62a_100015193705_100016991755 [0,0,0,0,0,1|3,0,0]=4 1398 B15R2.2196 c1cc(ccn1)CSCc2ncc[nH]2 62a_100016991755_100015193705 [0,0,0,0,0,1|3,0,0]=4 1399 B15R2.2196 c1cc(ccn1)CSCc2ncco2 62a_100015193705_103436540062 [0,0,0,0,0,1|2,0,0]=3 1400 B15R2.2196 c1cc(ccn1)CSCc2ncco2 62a_103436540062_100015193705 [0,0,0,0,0,1|2,0,0]=3 1401 B15R2.2196 c1cc(ccn1)CSCc2nccs2 62a_100015184050_100015193705 [0,0,0,0,0,1|2,1,0]=4 1402 B15R2.2196 c1cc(ccn1)CSCc2nccs2 62a_100015193705_100015184050 [0,0,0,0,0,1|2,1,0]=4 1403 B15R2.2196 c1ccc(cc1)CCSc2ccco2 62a_100000765856_100009814098 [0,0,0,0,0,1|3,0,0]=4 1404 B15R2.2196 c1ccc(cc1)CCSc2ccco2 62a_100009814098_100011218657 [0,0,0,0,0,1|3,0,0]=4 1405 B15R2.2196 c1ccc(cc1)CNCc2ccco2 207a_100000185738_100015611070 [0,0,0,0,0,1|2,0,0]=3 1406 B15R2.2196 c1ccc(cc1)CNCc2ccco2 207a_100015324214_100000186105 [0,0,0,0,0,1|2,0,0]=3 1407 B15R2.2196 c1ccc(cc1)CNCc2ccco2 2230a_100000185738_100015291786 [0,0,0,0,0,1|2,0,0]=3 1408 B15R2.2196 c1ccc(cc1)CNCc2ccco2 270004a_100000185738_100015611070 [0,0,0,0,0,1|2,0,0]=3 1409 B15R2.2196 c1ccc(cc1)CNCc2ccco2 270004a_100015324214_100000186105 [0,0,0,0,0,1|2,0,0]=3 1410 B15R2.2196 c1ccc(cc1)CNCc2ccco2 34a_100000185738_100015291786 [0,0,0,0,0,1|2,0,0]=3 1411 B15R2.2196 c1ccc(cc1)CNCc2cccs2 207a_100000211653_100015611070 [0,0,0,0,0,1|2,1,0]=4 1412 B15R2.2196 c1ccc(cc1)CNCc2cccs2 207a_100015324214_100000209959 [0,0,0,0,0,1|2,1,0]=4 1413 B15R2.2196 c1ccc(cc1)CNCc2cccs2 2230a_100000211653_100015291786 [0,0,0,0,0,1|2,1,0]=4 1414 B15R2.2196 c1ccc(cc1)CNCc2cccs2 270004a_100000211653_100015611070 [0,0,0,0,0,1|2,1,0]=4 1415 B15R2.2196 c1ccc(cc1)CNCc2cccs2 270004a_100015324214_100000209959 [0,0,0,0,0,1|2,1,0]=4 1416 B15R2.2196 c1ccc(cc1)CNCc2cnco2 207a_100020634212_100015611070 [0,0,0,0,0,1|3,0,0]=4 1417 B15R2.2196 c1ccc(cc1)CNCc2cnco2 270004a_100015324214_100000064291 [0,0,0,0,0,1|3,0,0]=4 1418 B15R2.2196 c1ccc(cc1)CNCc2cnco2 270004a_100020634212_100015611070 [0,0,0,0,0,1|3,0,0]=4 1419 B15R2.2196 c1ccc(cc1)CNCc2ncco2 207a_100016994969_100015611070 [0,0,0,0,0,1|3,0,0]=4 1420 B15R2.2196 c1ccc(cc1)CNCc2ncco2 2230a_100015324214_103436540062 [0,0,0,0,0,1|3,0,0]=4 1421 B15R2.2196 c1ccc(cc1)CNCc2ncco2 2230a_100016994969_100015291786 [0,0,0,0,0,1|3,0,0]=4 1422 B15R2.2196 c1ccc(cc1)CNCc2ncco2 270004a_100015324214_100000064290 [0,0,0,0,0,1|3,0,0]=4 1423 B15R2.2196 c1ccc(cc1)CNCc2ncco2 34a_100015324214_103436540062 [0,0,0,0,0,1|3,0,0]=4 1424 B15R2.2196 c1ccc(cc1)COCc2ccco2 34a_100000210059_100015291786 [0,0,0,0,0,1|1,1,0]=3 1425 B15R2.2196 c1ccc(cc1)COCc2cccs2 34a_100000211240_100015291786 [0,0,0,0,0,1|1,2,0]=4 1426 B15R2.2196 c1ccc(cc1)COCc2ccno2 34a_100000740478_100015291786 [0,0,0,0,0,1|2,1,0]=4 1427 B15R2.2196 c1ccc(cc1)COCc2ncco2 34a_100000062594_100015291786 [0,0,0,0,0,1|2,1,0]=4 1428 B15R2.2196 c1ccc(cc1)COCc2ncco2 34a_100000210790_103436540062 [0,0,0,0,0,1|2,1,0]=4 1429 B15R2.2196 c1ccc(cc1)COCc2ncco2 7a_100000210790_103436540062 [0,0,0,0,0,1|2,1,0]=4 1430 B15R2.2196 c1ccc(cc1)CSCc2c[nH]cn2 62a_100000211182_100000707719 [0,0,0,0,0,1|3,0,0]=4 1431 B15R2.2196 c1ccc(cc1)CSCc2c[nH]cn2 62a_100000707719_100015291786 [0,0,0,0,0,1|3,0,0]=4 1432 B15R2.2196 c1ccc(cc1)CSCc2ccn[nH]2 62a_100000211182_100000728653 [0,0,0,0,0,1|3,0,0]=4 1433 B15R2.2196 c1ccc(cc1)CSCc2ccn[nH]2 62a_100000728653_100015291786 [0,0,0,0,0,1|3,0,0]=4 1434 B15R2.2196 c1ccc(cc1)CSCc2ccon2 62a_100000211182_100000234950 [0,0,0,0,0,1|3,0,0]=4 1435 B15R2.2196 c1ccc(cc1)CSCc2ccon2 62a_100000234950_100015291786 [0,0,0,0,0,1|3,0,0]=4 1436 B15R2.2196 c1ccc(cc1)CSCc2ccsc2 62a_100000211182_100011233845 [0,0,0,0,0,1|3,0,0]=4 1437 B15R2.2196 c1ccc(cc1)CSCc2ccsc2 62a_100011261437_100015291786 [0,0,0,0,0,1|3,0,0]=4 1438 B15R2.2196 c1ccc(cc1)CSCc2cncs2 62a_100000211182_100015185245 [0,0,0,0,0,1|2,1,0]=4 1439 B15R2.2196 c1ccc(cc1)CSCc2cncs2 62a_100015185245_100015291786 [0,0,0,0,0,1|2,1,0]=4 1440 B15R2.2196 c1ccc(cc1)CSCc2cscn2 62a_100000205941_100015291786 [0,0,0,0,0,1|3,0,0]=4 1441 B15R2.2196 c1ccc(cc1)CSCc2cscn2 62a_100000211182_100000205941 [0,0,0,0,0,1|3,0,0]=4 1442 B15R2.2196 c1ccc(cc1)CSCc2ncc[nH]2 62a_100000211182_100016991755 [0,0,0,0,0,1|3,0,0]=4 1443 B15R2.2196 c1ccc(cc1)CSCc2ncc[nH]2 62a_100016991755_100015291786 [0,0,0,0,0,1|3,0,0]=4 1444 B15R2.2196 c1ccc(cc1)CSCc2ncco2 62a_100000211182_103436540062 [0,0,0,0,0,1|2,0,0]=3 1445 B15R2.2196 c1ccc(cc1)CSCc2ncco2 62a_103436540062_100015291786 [0,0,0,0,0,1|2,0,0]=3 1446 B15R2.2196 c1ccc(cc1)CSCc2nccs2 62a_100000211182_100015184050 [0,0,0,0,0,1|2,1,0]=4 1447 B15R2.2196 c1ccc(cc1)CSCc2nccs2 62a_100015184050_100015291786 [0,0,0,0,0,1|2,1,0]=4 1448 B15R2.2196 c1ccc(nc1)CCSc2ccco2 62a_100009814098_100015183660 [0,0,0,0,0,1|3,0,0]=4 1449 B15R2.2196 c1ccc(nc1)CCSc2ccco2 62a_100015183660_100009814098 [0,0,0,0,0,1|3,0,0]=4 1450 B15R2.2196 c1ccc(nc1)CNCc2ccco2 207a_100000185738_100000209966 [0,0,0,0,0,1|2,0,0]=3 1451 B15R2.2196 c1ccc(nc1)CNCc2ccco2 2230a_100000185738_100000721315 [0,0,0,0,0,1|2,0,0]=3 1452 B15R2.2196 c1ccc(nc1)CNCc2ccco2 270004a_100000185738_100000209966 [0,0,0,0,0,1|2,0,0]=3 1453 B15R2.2196 c1ccc(nc1)CNCc2ccco2 270004a_100000210449_100000186105 [0,0,0,0,0,1|2,0,0]=3 1454 B15R2.2196 c1ccc(nc1)CNCc2ccco2 34a_100000185738_100000721315 [0,0,0,0,0,1|2,0,0]=3 1455 B15R2.2196 c1ccc(nc1)CNCc2cccs2 207a_100000211653_100000209966 [0,0,0,0,0,1|2,1,0]=4 1456 B15R2.2196 c1ccc(nc1)CNCc2cccs2 2230a_100000211653_100000721315 [0,0,0,0,0,1|2,1,0]=4 1457 B15R2.2196 c1ccc(nc1)CNCc2cccs2 270004a_100000210449_100000209959 [0,0,0,0,0,1|2,1,0]=4 1458 B15R2.2196 c1ccc(nc1)CNCc2cccs2 270004a_100000211653_100000209966 [0,0,0,0,0,1|2,1,0]=4 1459 B15R2.2196 c1ccc(nc1)CNCc2cnco2 207a_100020634212_100000209966 [0,0,0,0,0,1|3,0,0]=4 1460 B15R2.2196 c1ccc(nc1)CNCc2cnco2 270004a_100000210449_100000064291 [0,0,0,0,0,1|3,0,0]=4 1461 B15R2.2196 c1ccc(nc1)CNCc2cnco2 270004a_100020634212_100000209966 [0,0,0,0,0,1|3,0,0]=4 1462 B15R2.2196 c1ccc(nc1)CNCc2ncco2 207a_100016994969_100000209966 [0,0,0,0,0,1|3,0,0]=4 1463 B15R2.2196 c1ccc(nc1)CNCc2ncco2 2230a_100016994969_100000721315 [0,0,0,0,0,1|3,0,0]=4 1464 B15R2.2196 c1ccc(nc1)CNCc2ncco2 270004a_100000210449_100000064290 [0,0,0,0,0,1|3,0,0]=4 1465 B15R2.2196 c1ccc(nc1)COCc2ccco2 34a_100000210059_100000721315 [0,0,0,0,0,1|1,1,0]=3 1466 B15R2.2196 c1ccc(nc1)COCc2cccs2 34a_100000211240_100000721315 [0,0,0,0,0,1|1,2,0]=4 1467 B15R2.2196 c1ccc(nc1)COCc2ccno2 34a_100000740478_100000721315 [0,0,0,0,0,1|2,1,0]=4 1468 B15R2.2196 c1ccc(nc1)COCc2ncco2 34a_100000062594_100000721315 [0,0,0,0,0,1|2,1,0]=4 1469 B15R2.2196 c1ccc(nc1)CSCc2c[nH]cn2 62a_100000707719_100000721315 [0,0,0,0,0,1|3,0,0]=4 1470 B15R2.2196 c1ccc(nc1)CSCc2c[nH]cn2 62a_100000721315_100000707719 [0,0,0,0,0,1|3,0,0]=4 1471 B15R2.2196 c1ccc(nc1)CSCc2ccn[nH]2 62a_100000721315_100000728653 [0,0,0,0,0,1|3,0,0]=4 1472 B15R2.2196 c1ccc(nc1)CSCc2ccn[nH]2 62a_100000728653_100000721315 [0,0,0,0,0,1|3,0,0]=4 1473 B15R2.2196 c1ccc(nc1)CSCc2ccon2 62a_100000234950_100000721315 [0,0,0,0,0,1|3,0,0]=4 1474 B15R2.2196 c1ccc(nc1)CSCc2ccon2 62a_100000721315_100000234950 [0,0,0,0,0,1|3,0,0]=4 1475 B15R2.2196 c1ccc(nc1)CSCc2ccsc2 62a_100000721315_100011233845 [0,0,0,0,0,1|3,0,0]=4 1476 B15R2.2196 c1ccc(nc1)CSCc2ccsc2 62a_100011261437_100000721315 [0,0,0,0,0,1|3,0,0]=4 1477 B15R2.2196 c1ccc(nc1)CSCc2cncs2 62a_100000721315_100015185245 [0,0,0,0,0,1|2,1,0]=4 1478 B15R2.2196 c1ccc(nc1)CSCc2cncs2 62a_100015185245_100000721315 [0,0,0,0,0,1|2,1,0]=4 1479 B15R2.2196 c1ccc(nc1)CSCc2cscn2 62a_100000205941_100000721315 [0,0,0,0,0,1|3,0,0]=4 1480 B15R2.2196 c1ccc(nc1)CSCc2cscn2 62a_100000721315_100000205941 [0,0,0,0,0,1|3,0,0]=4 1481 B15R2.2196 c1ccc(nc1)CSCc2ncc[nH]2 62a_100000721315_100016991755 [0,0,0,0,0,1|3,0,0]=4 1482 B15R2.2196 c1ccc(nc1)CSCc2ncc[nH]2 62a_100016991755_100000721315 [0,0,0,0,0,1|3,0,0]=4 1483 B15R2.2196 c1ccc(nc1)CSCc2ncco2 62a_100000721315_103436540062 [0,0,0,0,0,1|2,0,0]=3 1484 B15R2.2196 c1ccc(nc1)CSCc2ncco2 62a_103436540062_100000721315 [0,0,0,0,0,1|2,0,0]=3 1485 B15R2.2196 c1ccc(nc1)CSCc2nccs2 62a_100000721315_100015184050 [0,0,0,0,0,1|2,1,0]=4 1486 B15R2.2196 c1ccc(nc1)CSCc2nccs2 62a_100015184050_100000721315 [0,0,0,0,0,1|2,1,0]=4 1487 B15R2.2196 c1cnc(cn1)CNCc2cnco2 270004a_100020634212_100000749867 [0,0,0,0,0,1|3,0,0]=4 1488 B15R2.2196 c1cnc(cn1)CNCc2ncco2 2230a_100016994969_100016995436 [0,0,0,0,0,1|3,0,0]=4 1489 B15R2.2196 c1cnc(cn1)COCc2ccno2 34a_100000740478_100016995436 [0,0,0,0,0,1|2,1,0]=4 1490 B15R2.2196 c1cnc(cn1)COCc2ncco2 34a_100000062594_100016995436 [0,0,0,0,0,1|2,1,0]=4 1491 B15R2.2196 c1cnc(cn1)CSCc2c[nH]cn2 62a_100000707719_100016995436 [0,0,0,0,0,1|3,0,0]=4 1492 B15R2.2196 c1cnc(cn1)CSCc2c[nH]cn2 62a_100016995436_100000707719 [0,0,0,0,0,1|3,0,0]=4 1493 B15R2.2196 c1cnc(cn1)CSCc2ccn[nH]2 62a_100000728653_100016995436 [0,0,0,0,0,1|3,0,0]=4 1494 B15R2.2196 c1cnc(cn1)CSCc2ccn[nH]2 62a_100016995436_100000728653 [0,0,0,0,0,1|3,0,0]=4 1495 B15R2.2196 c1cnc(cn1)CSCc2ccon2 62a_100000234950_100016995436 [0,0,0,0,0,1|3,0,0]=4 1496 B15R2.2196 c1cnc(cn1)CSCc2ccon2 62a_100016995436_100000234950 [0,0,0,0,0,1|3,0,0]=4 1497 B15R2.2196 c1cnc(cn1)CSCc2ccsc2 62a_100011261437_100016995436 [0,0,0,0,0,1|3,0,0]=4 1498 B15R2.2196 c1cnc(cn1)CSCc2ccsc2 62a_100016995436_100011233845 [0,0,0,0,0,1|3,0,0]=4 1499 B15R2.2196 c1cnc(cn1)CSCc2cncs2 62a_100015185245_100016995436 [0,0,0,0,0,1|2,1,0]=4 1500 B15R2.2196 c1cnc(cn1)CSCc2cncs2 62a_100016995436_100015185245 [0,0,0,0,0,1|2,1,0]=4 1501 B15R2.2196 c1cnc(cn1)CSCc2cscn2 62a_100000205941_100016995436 [0,0,0,0,0,1|3,0,0]=4 1502 B15R2.2196 c1cnc(cn1)CSCc2cscn2 62a_100016995436_100000205941 [0,0,0,0,0,1|3,0,0]=4 1503 B15R2.2196 c1cnc(cn1)CSCc2ncc[nH]2 62a_100016991755_100016995436 [0,0,0,0,0,1|3,0,0]=4 1504 B15R2.2196 c1cnc(cn1)CSCc2ncc[nH]2 62a_100016995436_100016991755 [0,0,0,0,0,1|3,0,0]=4 1505 B15R2.2196 c1cnc(cn1)CSCc2ncco2 62a_100016995436_103436540062 [0,0,0,0,0,1|2,0,0]=3 1506 B15R2.2196 c1cnc(cn1)CSCc2ncco2 62a_103436540062_100016995436 [0,0,0,0,0,1|2,0,0]=3 1507 B15R2.2196 c1cnc(cn1)CSCc2nccs2 62a_100015184050_100016995436 [0,0,0,0,0,1|2,1,0]=4 1508 B15R2.2196 c1cnc(cn1)CSCc2nccs2 62a_100016995436_100015184050 [0,0,0,0,0,1|2,1,0]=4 1509 B15R2.2196 c1cnc(nc1)CNCc2ccco2 2230a_100000185738_100000703007 [0,0,0,0,0,1|2,0,0]=3 1510 B15R2.2196 c1cnc(nc1)CNCc2ccco2 270004a_100000185738_100011532527 [0,0,0,0,0,1|2,0,0]=3 1511 B15R2.2196 c1cnc(nc1)CNCc2ccco2 34a_100000185738_100000703007 [0,0,0,0,0,1|2,0,0]=3 1512 B15R2.2196 c1cnc(nc1)CNCc2cccs2 2230a_100000211653_100000703007 [0,0,0,0,0,1|2,1,0]=4 1513 B15R2.2196 c1cnc(nc1)CNCc2cccs2 270004a_100000211653_100011532527 [0,0,0,0,0,1|2,1,0]=4 1514 B15R2.2196 c1cnc(nc1)CNCc2cnco2 270004a_100020634212_100011532527 [0,0,0,0,0,1|3,0,0]=4 1515 B15R2.2196 c1cnc(nc1)CNCc2ncco2 2230a_100016994969_100000703007 [0,0,0,0,0,1|3,0,0]=4 1516 B15R2.2196 c1cnc(nc1)COCc2ccco2 34a_100000210059_100000703007 [0,0,0,0,0,1|1,1,0]=3 1517 B15R2.2196 c1cnc(nc1)COCc2cccs2 34a_100000211240_100000703007 [0,0,0,0,0,1|1,2,0]=4 1518 B15R2.2196 c1cnc(nc1)COCc2ccno2 34a_100000740478_100000703007 [0,0,0,0,0,1|2,1,0]=4 1519 B15R2.2196 c1cnc(nc1)COCc2ncco2 34a_100000062594_100000703007 [0,0,0,0,0,1|2,1,0]=4 1520 B15R2.2196 c1cnc(nc1)CSCc2c[nH]cn2 62a_100000703007_100000707719 [0,0,0,0,0,1|3,0,0]=4 1521 B15R2.2196 c1cnc(nc1)CSCc2c[nH]cn2 62a_100000707719_100000703007 [0,0,0,0,0,1|3,0,0]=4 1522 B15R2.2196 c1cnc(nc1)CSCc2ccn[nH]2 62a_100000703007_100000728653 [0,0,0,0,0,1|3,0,0]=4 1523 B15R2.2196 c1cnc(nc1)CSCc2ccn[nH]2 62a_100000728653_100000703007 [0,0,0,0,0,1|3,0,0]=4 1524 B15R2.2196 c1cnc(nc1)CSCc2ccon2 62a_100000234950_100000703007 [0,0,0,0,0,1|3,0,0]=4 1525 B15R2.2196 c1cnc(nc1)CSCc2ccon2 62a_100000703007_100000234950 [0,0,0,0,0,1|3,0,0]=4 1526 B15R2.2196 c1cnc(nc1)CSCc2ccsc2 62a_100000703007_100011233845 [0,0,0,0,0,1|3,0,0]=4 1527 B15R2.2196 c1cnc(nc1)CSCc2ccsc2 62a_100011261437_100000703007 [0,0,0,0,0,1|3,0,0]=4 1528 B15R2.2196 c1cnc(nc1)CSCc2cncs2 62a_100000703007_100015185245 [0,0,0,0,0,1|2,1,0]=4 1529 B15R2.2196 c1cnc(nc1)CSCc2cncs2 62a_100015185245_100000703007 [0,0,0,0,0,1|2,1,0]=4 1530 B15R2.2196 c1cnc(nc1)CSCc2cscn2 62a_100000205941_100000703007 [0,0,0,0,0,1|3,0,0]=4 1531 B15R2.2196 c1cnc(nc1)CSCc2cscn2 62a_100000703007_100000205941 [0,0,0,0,0,1|3,0,0]=4 1532 B15R2.2196 c1cnc(nc1)CSCc2ncc[nH]2 62a_100000703007_100016991755 [0,0,0,0,0,1|3,0,0]=4 1533 B15R2.2196 c1cnc(nc1)CSCc2ncc[nH]2 62a_100016991755_100000703007 [0,0,0,0,0,1|3,0,0]=4 1534 B15R2.2196 c1cnc(nc1)CSCc2ncco2 62a_100000703007_103436540062 [0,0,0,0,0,1|2,0,0]=3 1535 B15R2.2196 c1cnc(nc1)CSCc2ncco2 62a_103436540062_100000703007 [0,0,0,0,0,1|2,0,0]=3 1536 B15R2.2196 c1cnc(nc1)CSCc2nccs2 62a_100000703007_100015184050 [0,0,0,0,0,1|2,1,0]=4 1537 B15R2.2196 c1cnc(nc1)CSCc2nccs2 62a_100015184050_100000703007 [0,0,0,0,0,1|2,1,0]=4 1538 B15R2.2196 c1cnc(nc1)NCCc2ccco2 27a_100000694680_100000211032 [0,0,0,0,0,1|3,0,0]=4 1539 B15R2.2196 c1cncc(c1)CCSc2ccco2 62a_100009814098_200011713674 [0,0,0,0,0,1|3,0,0]=4 1540 B15R2.2196 c1cncc(c1)CCSc2ccco2 62a_200011713674_100009814098 [0,0,0,0,0,1|3,0,0]=4 1541 B15R2.2196 c1cncc(c1)CNCc2ccco2 207a_100000185738_100000209961 [0,0,0,0,0,1|2,0,0]=3 1542 B15R2.2196 c1cncc(c1)CNCc2ccco2 207a_100000210453_100000186105 [0,0,0,0,0,1|2,0,0]=3 1543 B15R2.2196 c1cncc(c1)CNCc2ccco2 2230a_100000185738_100000741622 [0,0,0,0,0,1|2,0,0]=3 1544 B15R2.2196 c1cncc(c1)CNCc2ccco2 270004a_100000185738_100000209961 [0,0,0,0,0,1|2,0,0]=3 1545 B15R2.2196 c1cncc(c1)CNCc2ccco2 270004a_100000210453_100000186105 [0,0,0,0,0,1|2,0,0]=3 1546 B15R2.2196 c1cncc(c1)CNCc2ccco2 34a_100000185738_100000733263 [0,0,0,0,0,1|2,0,0]=3 1547 B15R2.2196 c1cncc(c1)CNCc2cccs2 207a_100000210453_100000209959 [0,0,0,0,0,1|2,1,0]=4 1548 B15R2.2196 c1cncc(c1)CNCc2cccs2 207a_100000211653_100000209961 [0,0,0,0,0,1|2,1,0]=4 1549 B15R2.2196 c1cncc(c1)CNCc2cccs2 2230a_100000211653_100000741622 [0,0,0,0,0,1|2,1,0]=4 1550 B15R2.2196 c1cncc(c1)CNCc2cccs2 270004a_100000210453_100000209959 [0,0,0,0,0,1|2,1,0]=4 1551 B15R2.2196 c1cncc(c1)CNCc2cccs2 270004a_100000211653_100000209961 [0,0,0,0,0,1|2,1,0]=4 1552 B15R2.2196 c1cncc(c1)CNCc2cnco2 207a_100020634212_100000209961 [0,0,0,0,0,1|3,0,0]=4 1553 B15R2.2196 c1cncc(c1)CNCc2cnco2 270004a_100000210453_100000064291 [0,0,0,0,0,1|3,0,0]=4 1554 B15R2.2196 c1cncc(c1)CNCc2cnco2 270004a_100020634212_100000209961 [0,0,0,0,0,1|3,0,0]=4 1555 B15R2.2196 c1cncc(c1)CNCc2ncco2 207a_100016994969_100000209961 [0,0,0,0,0,1|3,0,0]=4 1556 B15R2.2196 c1cncc(c1)CNCc2ncco2 2230a_100016994969_100000741622 [0,0,0,0,0,1|3,0,0]=4 1557 B15R2.2196 c1cncc(c1)CNCc2ncco2 270004a_100000210453_100000064290 [0,0,0,0,0,1|3,0,0]=4 1558 B15R2.2196 c1cncc(c1)COCc2ccco2 34a_100000210059_100000733263 [0,0,0,0,0,1|1,1,0]=3 1559 B15R2.2196 c1cncc(c1)COCc2cccs2 34a_100000211240_100000733263 [0,0,0,0,0,1|1,2,0]=4 1560 B15R2.2196 c1cncc(c1)COCc2ccno2 34a_100000740478_100000733263 [0,0,0,0,0,1|2,1,0]=4 1561 B15R2.2196 c1cncc(c1)COCc2ncco2 34a_100000062594_100000733263 [0,0,0,0,0,1|2,1,0]=4 1562 B15R2.2196 c1cncc(c1)CSCc2c[nH]cn2 62a_100000707719_100000741622 [0,0,0,0,0,1|3,0,0]=4 1563 B15R2.2196 c1cncc(c1)CSCc2c[nH]cn2 62a_100000741622_100000707719 [0,0,0,0,0,1|3,0,0]=4 1564 B15R2.2196 c1cncc(c1)CSCc2ccn[nH]2 62a_100000728653_100000741622 [0,0,0,0,0,1|3,0,0]=4 1565 B15R2.2196 c1cncc(c1)CSCc2ccn[nH]2 62a_100000741622_100000728653 [0,0,0,0,0,1|3,0,0]=4 1566 B15R2.2196 c1cncc(c1)CSCc2ccon2 62a_100000234950_100000741622 [0,0,0,0,0,1|3,0,0]=4 1567 B15R2.2196 c1cncc(c1)CSCc2ccon2 62a_100000741622_100000234950 [0,0,0,0,0,1|3,0,0]=4 1568 B15R2.2196 c1cncc(c1)CSCc2ccsc2 62a_100000741622_100011233845 [0,0,0,0,0,1|3,0,0]=4 1569 B15R2.2196 c1cncc(c1)CSCc2ccsc2 62a_100011261437_100000741622 [0,0,0,0,0,1|3,0,0]=4 1570 B15R2.2196 c1cncc(c1)CSCc2cncs2 62a_100000741622_100015185245 [0,0,0,0,0,1|2,1,0]=4 1571 B15R2.2196 c1cncc(c1)CSCc2cncs2 62a_100015185245_100000741622 [0,0,0,0,0,1|2,1,0]=4 1572 B15R2.2196 c1cncc(c1)CSCc2cscn2 62a_100000205941_100000741622 [0,0,0,0,0,1|3,0,0]=4 1573 B15R2.2196 c1cncc(c1)CSCc2cscn2 62a_100000741622_100000205941 [0,0,0,0,0,1|3,0,0]=4 1574 B15R2.2196 c1cncc(c1)CSCc2ncc[nH]2 62a_100000741622_100016991755 [0,0,0,0,0,1|3,0,0]=4 1575 B15R2.2196 c1cncc(c1)CSCc2ncc[nH]2 62a_100016991755_100000741622 [0,0,0,0,0,1|3,0,0]=4 1576 B15R2.2196 c1cncc(c1)CSCc2ncco2 62a_100000741622_103436540062 [0,0,0,0,0,1|2,0,0]=3 1577 B15R2.2196 c1cncc(c1)CSCc2ncco2 62a_103436540062_100000741622 [0,0,0,0,0,1|2,0,0]=3 1578 B15R2.2196 c1cncc(c1)CSCc2nccs2 62a_100000741622_100015184050 [0,0,0,0,0,1|2,1,0]=4 1579 B15R2.2196 c1cncc(c1)CSCc2nccs2 62a_100015184050_100000741622 [0,0,0,0,0,1|2,1,0]=4 1580 B15R2.2196 c1cnnc(c1)CNCc2ccco2 2230a_100000185738_100016990269 [0,0,0,0,0,1|2,0,0]=3 1581 B15R2.2196 c1cnnc(c1)CNCc2ccco2 34a_100000185738_100016990269 [0,0,0,0,0,1|2,0,0]=3 1582 B15R2.2196 c1cnnc(c1)CNCc2cccs2 2230a_100000211653_100016990269 [0,0,0,0,0,1|2,1,0]=4 1583 B15R2.2196 c1cnnc(c1)CNCc2ncco2 2230a_100016994969_100016990269 [0,0,0,0,0,1|3,0,0]=4 1584 B15R2.2196 c1cnnc(c1)CNCc2ncco2 2230a_100159270163_103436540062 [0,0,0,0,0,1|3,0,0]=4 1585 B15R2.2196 c1cnnc(c1)COCc2ccco2 34a_100000210059_100016990269 [0,0,0,0,0,1|1,1,0]=3 1586 B15R2.2196 c1cnnc(c1)COCc2cccs2 34a_100000211240_100016990269 [0,0,0,0,0,1|1,2,0]=4 1587 B15R2.2196 c1cnnc(c1)COCc2ccno2 34a_100000740478_100016990269 [0,0,0,0,0,1|2,1,0]=4 1588 B15R2.2196 c1cnnc(c1)COCc2ncco2 34a_100000062594_100016990269 [0,0,0,0,0,1|2,1,0]=4 1589 B15R2.2196 c1cnnc(c1)CSCc2c[nH]cn2 62a_100000707719_100016990269 [0,0,0,0,0,1|3,0,0]=4 1590 B15R2.2196 c1cnnc(c1)CSCc2c[nH]cn2 62a_100016990269_100000707719 [0,0,0,0,0,1|3,0,0]=4 1591 B15R2.2196 c1cnnc(c1)CSCc2ccn[nH]2 62a_100000728653_100016990269 [0,0,0,0,0,1|3,0,0]=4 1592 B15R2.2196 c1cnnc(c1)CSCc2ccn[nH]2 62a_100016990269_100000728653 [0,0,0,0,0,1|3,0,0]=4 1593 B15R2.2196 c1cnnc(c1)CSCc2ccon2 62a_100000234950_100016990269 [0,0,0,0,0,1|3,0,0]=4 1594 B15R2.2196 c1cnnc(c1)CSCc2ccon2 62a_100016990269_100000234950 [0,0,0,0,0,1|3,0,0]=4 1595 B15R2.2196 c1cnnc(c1)CSCc2ccsc2 62a_100011261437_100016990269 [0,0,0,0,0,1|3,0,0]=4 1596 B15R2.2196 c1cnnc(c1)CSCc2ccsc2 62a_100016990269_100011233845 [0,0,0,0,0,1|3,0,0]=4 1597 B15R2.2196 c1cnnc(c1)CSCc2cncs2 62a_100015185245_100016990269 [0,0,0,0,0,1|2,1,0]=4 1598 B15R2.2196 c1cnnc(c1)CSCc2cncs2 62a_100016990269_100015185245 [0,0,0,0,0,1|2,1,0]=4 1599 B15R2.2196 c1cnnc(c1)CSCc2cscn2 62a_100000205941_100016990269 [0,0,0,0,0,1|3,0,0]=4 1600 B15R2.2196 c1cnnc(c1)CSCc2cscn2 62a_100016990269_100000205941 [0,0,0,0,0,1|3,0,0]=4 1601 B15R2.2196 c1cnnc(c1)CSCc2ncc[nH]2 62a_100016990269_100016991755 [0,0,0,0,0,1|3,0,0]=4 1602 B15R2.2196 c1cnnc(c1)CSCc2ncc[nH]2 62a_100016991755_100016990269 [0,0,0,0,0,1|3,0,0]=4 1603 B15R2.2196 c1cnnc(c1)CSCc2ncco2 62a_100016990269_103436540062 [0,0,0,0,0,1|2,0,0]=3 1604 B15R2.2196 c1cnnc(c1)CSCc2ncco2 62a_103436540062_100016990269 [0,0,0,0,0,1|2,0,0]=3 1605 B15R2.2196 c1cnnc(c1)CSCc2nccs2 62a_100015184050_100016990269 [0,0,0,0,0,1|2,1,0]=4 1606 B15R2.2196 c1cnnc(c1)CSCc2nccs2 62a_100016990269_100015184050 [0,0,0,0,0,1|2,1,0]=4 1607 B15R2.2196 c1cnnc(c1)NCCc2ccco2 27a_100000694680_100016991348 [0,0,0,0,0,1|3,0,0]=4 1608 B15R2.2196 c1coc(c1)CCNc2ccncn2 27a_100000694680_100000703185 [0,0,0,0,0,1|3,0,0]=4 1609 B15R2.2196 c1coc(c1)CCNc2cnccn2 27a_100000694680_100000211759 [0,0,0,0,0,1|3,0,0]=4 1610 B15R2.2196 c1coc(c1)CNCc2ccncc2 207a_100000185738_100000186114 [0,0,0,0,0,1|2,0,0]=3 1611 B15R2.2196 c1coc(c1)CNCc2ccncc2 2230a_100000185738_100015193705 [0,0,0,0,0,1|2,0,0]=3 1612 B15R2.2196 c1coc(c1)CNCc2ccnnc2 270004a_100000185738_100011934578 [0,0,0,0,0,1|3,0,0]=4 1613 B15R2.2196 c1coc(c1)CNCc2cnccn2 2230a_100000185738_100016995436 [0,0,0,0,0,1|2,0,0]=3 1614 B15R2.2196 c1coc(c1)CNCc2cnccn2 270004a_100000185738_100000749867 [0,0,0,0,0,1|2,0,0]=3 1615 B15R2.2196 c1coc(c1)CNCc2cnccn2 34a_100000185738_100016995436 [0,0,0,0,0,1|2,0,0]=3 1616 B15R2.2196 c1coc(c1)CNCc2cncnc2 207a_100011243677_100000186105 [0,0,0,0,0,1|3,0,0]=4 1617 B15R2.2196 c1coc(c1)CNCc2cncnc2 2230a_100000185738_100015196519 [0,0,0,0,0,1|3,0,0]=4 1618 B15R2.2196 c1coc(c1)CNCc2cncnc2 270004a_100000185738_100000749868 [0,0,0,0,0,1|3,0,0]=4 1619 B15R2.2196 c1coc(c1)CNCc2cncnc2 270004a_100011243677_100000186105 [0,0,0,0,0,1|3,0,0]=4 1620 B15R2.2196 c1coc(c1)CNCc2cncnc2 34a_100000185738_100015196519 [0,0,0,0,0,1|3,0,0]=4 1621 B15R2.2196 c1coc(c1)COCc2cnccn2 34a_100000210059_100016995436 [0,0,0,0,0,1|1,1,0]=3 1622 B15R2.2196 c1coc(c1)COCc2cncnc2 34a_100000210059_100015196519 [0,0,0,0,0,1|2,1,0]=4 1623 B15R2.2196 c1coc(c1)SCCc2ccncc2 62a_100000723409_100009814098 [0,0,0,0,0,1|3,0,0]=4 1624 B15R2.2196 c1coc(c1)SCCc2ccncc2 62a_100009814098_100000723409 [0,0,0,0,0,1|3,0,0]=4 1625 B15R2.2196 c1csc(c1)CNCc2ccncc2 207a_100000211653_100000186114 [0,0,0,0,0,1|2,1,0]=4 1626 B15R2.2196 c1csc(c1)CNCc2ccncc2 2230a_100000211653_100015193705 [0,0,0,0,0,1|2,1,0]=4 1627 B15R2.2196 c1csc(c1)CNCc2cnccn2 2230a_100000211653_100016995436 [0,0,0,0,0,1|2,1,0]=4 1628 B15R2.2196 c1csc(c1)CNCc2cnccn2 270004a_100000211653_100000749867 [0,0,0,0,0,1|2,1,0]=4 1629 B15R2.2196 c1csc(c1)COCc2cnccn2 34a_100000211240_100016995436 [0,0,0,0,0,1|1,2,0]=4 1630 B15R2.2196 c1ncc(cn1)CSCc2ncco2 62a_100015196519_103436540062 [0,0,0,0,0,1|3,0,0]=4 1631 B15R2.2196 c1ncc(cn1)CSCc2ncco2 62a_103436540062_100015196519 [0,0,0,0,0,1|3,0,0]=4 1632 B12R1.37 C=COCCNCc1ccco1 2230a_100000185738_100000039644 [1,0,1,0,0,0|1,0,1]=4 1633 B12R1.37 C=COCCNCc1ccco1 34a_100000185738_100000039644 [1,0,1,0,0,0|1,0,1]=4 1634 B12R1.37 C=COCCOCc1ccco1 34a_100000210059_100000039644 [1,0,1,0,0,0|0,1,1]=4 1635 B12R1.37 C=COCCSCc1ncco1 62a_100000039644_103436540062 [1,0,1,0,0,0|1,0,1]=4 1636 B12R1.37 C=COCCSCc1ncco1 62a_103436540062_100000039644 [1,0,1,0,0,0|1,0,1]=4 1637 B12R1.477 C=CC(O)CNCc1ccco1 2230a_100000185738_100000730141 [1,0,1,0,0,0|1,0,1]=4 1638 B12R1.477 C=CC(O)CNCc1ccco1 34a_100000185738_100000730141 [1,0,1,0,0,0|1,0,1]=4 1639 B12R1.477 C=CC(O)COCc1ccco1 34a_100000210059_100000730141 [1,0,1,0,0,0|0,1,1]=4 1640 B12R1.477 C=CC(O)CSCc1ncco1 62a_100000730141_103436540062 [1,0,1,0,0,0|1,0,1]=4 1641 B12R1.477 C=CC(O)CSCc1ncco1 62a_103436540062_100000730141 [1,0,1,0,0,0|1,0,1]=4 1642 B14R1.177 C=CCOC(=O)CNCc1ccco1 2230a_100000185738_100000033060 [0,1,1,0,0,0|1,0,1]=4 1643 B14R1.177 C=CCOC(=O)CNCc1ccco1 34a_100000185738_100000033060 [0,1,1,0,0,0|1,0,1]=4 1644 B14R1.177 C=CCOC(=O)COCc1ccco1 34a_100000210059_100000033060 [0,1,1,0,0,0|0,1,1]=4 1645 B14R1.177 C=CCOC(=O)CSCc1ncco1 62a_100000033060_103436540062 [0,1,1,0,0,0|1,0,1]=4 1646 B14R1.177 C=CCOC(=O)CSCc1ncco1 62a_103436540062_100000033060 [0,1,1,0,0,0|1,0,1]=4 1647 B14R1.730 C=CC(=O)NCCSCc1ccco1 240690a_100000184675_200121576911 [0,1,1,0,0,0|1,0,1]=4 1648 B14R1.730 C=CC(=O)OCCNCc1ccco1 2230a_100000185738_100009813456 [0,1,1,0,0,0|1,0,1]=4 1649 B14R1.730 C=CC(=O)OCCNCc1ccco1 34a_100000185738_100009813456 [0,1,1,0,0,0|1,0,1]=4 1650 B14R1.730 C=CC(=O)OCCOCc1ccco1 34a_100000210059_100009813456 [0,1,1,0,0,0|0,1,1]=4 1651 B14R1.730 C=CC(=O)OCCSCc1ncco1 62a_100009813456_103436540062 [0,1,1,0,0,0|1,0,1]=4 1652 B14R1.730 C=CC(=O)OCCSCc1ncco1 62a_103436540062_100009813456 [0,1,1,0,0,0|1,0,1]=4 1653 B14R1.100 C=COC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000036128 [0,1,1,0,0,0|2,0,0]=4 1654 B14R1.100 C=COC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000036128 [0,1,1,0,0,0|1,1,0]=4 1655 B14R1.519 C=COC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000036128 [0,1,1,0,0,0|2,0,0]=4 1656 B14R1.519 C=COC(=O)CNCc1ccc(o1)C 34a_100011194323_100000036128 [0,1,1,0,0,0|2,0,0]=4 1657 B14R1.519 C=COC(=O)COCc1ccc(o1)Br 34a_100000246276_100000036128 [0,1,1,0,0,0|1,1,0]=4 1658 B14R1.519 C=COC(=O)COCc1ccc(o1)C 34a_100011232665_100000036128 [0,1,1,0,0,0|1,1,0]=4 1659 B14R1.519 C=COC(=O)CSCc1cc(cs1)Br 62a_100000036128_100000746031 [0,1,1,0,0,0|1,1,0]=4 1660 B14R1.519 C=COC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000036128 [0,1,1,0,0,0|1,1,0]=4 1661 B14R1.519 C=COC(=O)CSCc1cc(no1)Br 62a_100000036128_100000709089 [0,1,1,0,0,0|2,0,0]=4 1662 B14R1.519 C=COC(=O)CSCc1cc(no1)Br 62a_100000709089_100000036128 [0,1,1,0,0,0|2,0,0]=4 1663 B14R1.519 C=COC(=O)CSCc1cc(no1)C 62a_100000036128_100000707947 [0,1,1,0,0,0|2,0,0]=4 1664 B14R1.519 C=COC(=O)CSCc1cc(no1)C 62a_100000707947_100000036128 [0,1,1,0,0,0|2,0,0]=4 1665 B14R1.519 C=COC(=O)CSCc1ccc(s1)Br 62a_100000036128_100000708592 [0,1,1,0,0,0|1,1,0]=4 1666 B14R1.519 C=COC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000036128 [0,1,1,0,0,0|1,1,0]=4 1667 B14R1.519 C=COC(=O)CSCc1ccc(s1)Cl 62a_100000036128_100000185097 [0,1,1,0,0,0|1,1,0]=4 1668 B14R1.519 C=COC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000036128 [0,1,1,0,0,0|1,1,0]=4 1669 B14R1.621 C=COC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000036128 [0,1,1,0,0,0|2,0,0]=4 1670 B14R1.621 C=COC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000036128 [0,1,1,0,0,0|2,0,0]=4 1671 B14R1.621 C=COC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000036128 [0,1,1,0,0,0|2,0,0]=4 1672 B14R1.948 C=COC(=O)COCc1occc1C 34a_100011273948_100000036128 [0,1,1,0,0,0|1,1,0]=4 1673 B14R2.252 Brc1cc(on1)CSc2ccco2 62a_100000709089_100009814098 [0,1,0,0,1,0|1,0,0]=3 1674 B14R2.252 Brc1cc(on1)CSc2ccco2 62a_100009814098_100000709089 [0,1,0,0,1,0|1,0,0]=3 1675 B14R2.252 Brc1cc(on1)CSc2cccs2 62a_100000709089_100011215356 [0,1,0,0,1,0|1,1,0]=4 1676 B14R2.252 Brc1cc(on1)CSc2cccs2 62a_100011215356_100000709089 [0,1,0,0,1,0|1,1,0]=4 1677 B14R2.252 Brc1cc(on1)CSc2cnco2 62a_100000709089_100020591547 [0,1,0,0,1,0|2,0,0]=4 1678 B14R2.252 Brc1cc(on1)CSc2cnco2 62a_100020591547_100000709089 [0,1,0,0,1,0|2,0,0]=4 1679 B14R2.252 Brc1cc(on1)CSc2ncco2 62a_100000709089_100011787736 [0,1,0,0,1,0|2,0,0]=4 1680 B14R2.252 Brc1cc(on1)CSc2ncco2 62a_100011787736_100000709089 [0,1,0,0,1,0|2,0,0]=4 1681 B14R2.252 Brc1ccc(s1)CSc2ccco2 62a_100000708592_100009814098 [0,1,0,0,1,0|0,1,0]=3 1682 B14R2.252 Brc1ccc(s1)CSc2ccco2 62a_100009814098_100000708592 [0,1,0,0,1,0|0,1,0]=3 1683 B14R2.252 Brc1ccc(s1)CSc2cccs2 62a_100000708592_100011215356 [0,1,0,0,1,0|0,2,0]=4 1684 B14R2.252 Brc1ccc(s1)CSc2cccs2 62a_100011215356_100000708592 [0,1,0,0,1,0|0,2,0]=4 1685 B14R2.252 Brc1ccc(s1)CSc2cnco2 62a_100000708592_100020591547 [0,1,0,0,1,0|1,1,0]=4 1686 B14R2.252 Brc1ccc(s1)CSc2cnco2 62a_100020591547_100000708592 [0,1,0,0,1,0|1,1,0]=4 1687 B14R2.252 Brc1ccc(s1)CSc2ncco2 62a_100000708592_100011787736 [0,1,0,0,1,0|1,1,0]=4 1688 B14R2.252 Brc1ccc(s1)CSc2ncco2 62a_100011787736_100000708592 [0,1,0,0,1,0|1,1,0]=4 1689 B14R2.252 Brc1ccc(s1)SCc2ncco2 62a_100010197418_103436540062 [0,1,0,0,1,0|1,1,0]=4 1690 B14R2.252 Brc1ccc(s1)SCc2ncco2 62a_103436540062_100010197418 [0,1,0,0,1,0|1,1,0]=4 1691 B14R2.252 Brc1csc(c1)CSc2ccco2 62a_100000746031_100009814098 [0,1,0,0,1,0|0,1,0]=3 1692 B14R2.252 Brc1csc(c1)CSc2ccco2 62a_100009814098_100000746031 [0,1,0,0,1,0|0,1,0]=3 1693 B14R2.252 Brc1csc(c1)CSc2cccs2 62a_100000746031_100011215356 [0,1,0,0,1,0|0,2,0]=4 1694 B14R2.252 Brc1csc(c1)CSc2cccs2 62a_100011215356_100000746031 [0,1,0,0,1,0|0,2,0]=4 1695 B14R2.252 Brc1csc(c1)CSc2cnco2 62a_100000746031_100020591547 [0,1,0,0,1,0|1,1,0]=4 1696 B14R2.252 Brc1csc(c1)CSc2cnco2 62a_100020591547_100000746031 [0,1,0,0,1,0|1,1,0]=4 1697 B14R2.252 Brc1csc(c1)CSc2ncco2 62a_100000746031_100011787736 [0,1,0,0,1,0|1,1,0]=4 1698 B14R2.252 Brc1csc(c1)CSc2ncco2 62a_100011787736_100000746031 [0,1,0,0,1,0|1,1,0]=4 1699 B14R2.252 Brc1ncc(s1)CSc2ccco2 62a_100000717027_100009814098 [0,1,0,0,1,0|1,1,0]=4 1700 B14R2.252 Brc1ncc(s1)CSc2ccco2 62a_100009814098_100000717027 [0,1,0,0,1,0|1,1,0]=4 1701 B14R2.252 Cc1cc(no1)CSc2ccco2 62a_100000199038_100009814098 [0,1,0,0,1,0|2,0,0]=4 1702 B14R2.252 Cc1cc(no1)CSc2ccco2 62a_100009814098_100000199038 [0,1,0,0,1,0|2,0,0]=4 1703 B14R2.252 Cc1cc(on1)CSc2ccco2 62a_100000707947_100009814098 [0,1,0,0,1,0|1,0,0]=3 1704 B14R2.252 Cc1cc(on1)CSc2ccco2 62a_100009814098_100000707947 [0,1,0,0,1,0|1,0,0]=3 1705 B14R2.252 Cc1cc(on1)CSc2cccs2 62a_100000707947_100011215356 [0,1,0,0,1,0|1,1,0]=4 1706 B14R2.252 Cc1cc(on1)CSc2cccs2 62a_100011215356_100000707947 [0,1,0,0,1,0|1,1,0]=4 1707 B14R2.252 Cc1cc(on1)CSc2cnco2 62a_100000707947_100020591547 [0,1,0,0,1,0|2,0,0]=4 1708 B14R2.252 Cc1cc(on1)CSc2cnco2 62a_100020591547_100000707947 [0,1,0,0,1,0|2,0,0]=4 1709 B14R2.252 Cc1cc(on1)CSc2ncco2 62a_100000707947_100011787736 [0,1,0,0,1,0|2,0,0]=4 1710 B14R2.252 Cc1cc(on1)CSc2ncco2 62a_100011787736_100000707947 [0,1,0,0,1,0|2,0,0]=4 1711 B14R2.252 Cc1ccc(s1)SCc2ncco2 62a_100000031368_103436540062 [0,1,0,0,1,0|1,1,0]=4 1712 B14R2.252 Cc1ccc(s1)SCc2ncco2 62a_103436540062_100000031368 [0,1,0,0,1,0|1,1,0]=4 1713 B14R2.252 Cc1csc(c1)SCc2ncco2 62a_100009876951_103436540062 [0,1,0,0,1,0|1,1,0]=4 1714 B14R2.252 Cc1csc(c1)SCc2ncco2 62a_103436540062_100009876951 [0,1,0,0,1,0|1,1,0]=4 1715 B14R2.252 Cc1nc(cs1)CSc2ccco2 62a_100009814098_100015186478 [0,1,0,0,1,0|2,0,0]=4 1716 B14R2.252 Cc1nc(cs1)CSc2ccco2 62a_100015186478_100009814098 [0,1,0,0,1,0|2,0,0]=4 1717 B14R2.252 Cc1ncc(s1)CSc2ccco2 62a_100009814098_100020635045 [0,1,0,0,1,0|1,1,0]=4 1718 B14R2.252 Cc1ncc(s1)CSc2ccco2 62a_100020635045_100009814098 [0,1,0,0,1,0|1,1,0]=4 1719 B14R2.252 Cc1nnc(o1)CSc2ccco2 62a_100000181450_100009814098 [0,1,0,0,1,0|2,0,0]=4 1720 B14R2.252 Cc1nnc(o1)CSc2ccco2 62a_100009814098_100000181450 [0,1,0,0,1,0|2,0,0]=4 1721 B14R2.252 Cc1noc(n1)CCc2ccco2 270196a_100000212224_100000185103 [0,1,0,0,1,0|2,0,0]=4 1722 B14R2.252 Cc1noc(n1)CSc2ccco2 62a_100000735555_100009814098 [0,1,0,0,1,0|2,0,0]=4 1723 B14R2.252 Cc1noc(n1)CSc2ccco2 62a_100009814098_100000735555 [0,1,0,0,1,0|2,0,0]=4 1724 B14R2.252 Clc1ccc(s1)CSc2ccco2 62a_100000185097_100009814098 [0,1,0,0,1,0|0,1,0]=3 1725 B14R2.252 Clc1ccc(s1)CSc2ccco2 62a_100009814098_100000185097 [0,1,0,0,1,0|0,1,0]=3 1726 B14R2.252 Clc1ccc(s1)CSc2cccs2 62a_100000185097_100011215356 [0,1,0,0,1,0|0,2,0]=4 1727 B14R2.252 Clc1ccc(s1)CSc2cccs2 62a_100011215356_100000185097 [0,1,0,0,1,0|0,2,0]=4 1728 B14R2.252 Clc1ccc(s1)CSc2cnco2 62a_100000185097_100020591547 [0,1,0,0,1,0|1,1,0]=4 1729 B14R2.252 Clc1ccc(s1)CSc2cnco2 62a_100020591547_100000185097 [0,1,0,0,1,0|1,1,0]=4 1730 B14R2.252 Clc1ccc(s1)CSc2ncco2 62a_100000185097_100011787736 [0,1,0,0,1,0|1,1,0]=4 1731 B14R2.252 Clc1ccc(s1)CSc2ncco2 62a_100011787736_100000185097 [0,1,0,0,1,0|1,1,0]=4 1732 B14R2.252 Clc1nc(cs1)CSc2ccco2 62a_100000024076_100009814098 [0,1,0,0,1,0|2,0,0]=4 1733 B14R2.252 Clc1nc(cs1)CSc2ccco2 62a_100009814098_100000024076 [0,1,0,0,1,0|2,0,0]=4 1734 B14R2.252 Clc1ncc(s1)CSc2ccco2 62a_100000058068_100009814098 [0,1,0,0,1,0|1,1,0]=4 1735 B14R2.252 Clc1ncc(s1)CSc2ccco2 62a_100009814098_100000058068 [0,1,0,0,1,0|1,1,0]=4 1736 B14R2.252 Cn1ccc(n1)CSc2ccco2 62a_100000726502_100009814098 [0,1,0,0,1,0|2,0,0]=4 1737 B14R2.252 Cn1ccc(n1)CSc2ccco2 62a_100009814098_100000726502 [0,1,0,0,1,0|2,0,0]=4 1738 B14R2.252 Cn1cnc(c1)CSc2ccco2 62a_100000717665_100009814098 [0,1,0,0,1,0|2,0,0]=4 1739 B14R2.252 Cn1cnc(c1)CSc2ccco2 62a_100009814098_100000717665 [0,1,0,0,1,0|2,0,0]=4 1740 B14R2.252 O=C1C=C(CO1)CSc2ccco2 62a_100000716558_100009814098 [0,1,0,0,1,0|2,0,0]=4 1741 B14R2.252 O=C1C=C(CO1)CSc2ccco2 62a_100009814098_100000716558 [0,1,0,0,1,0|2,0,0]=4 1742 B14R2.384 Brc1ccsc1SCc2ncco2 62a_100012361411_103436540062 [0,1,0,0,1,0|1,1,0]=4 1743 B14R2.384 Brc1ccsc1SCc2ncco2 62a_103436540062_100012361411 [0,1,0,0,1,0|1,1,0]=4 1744 B14R2.384 Brc1sccc1CSc2ccco2 62a_100009814098_100009814289 [0,1,0,0,1,0|2,0,0]=4 1745 B14R2.384 Brc1sccc1CSc2ccco2 62a_100009814289_100009814098 [0,1,0,0,1,0|2,0,0]=4 1746 B14R2.384 Cc1[nH]cnc1CSc2ccco2 62a_100000751220_100009814098 [0,1,0,0,1,0|2,0,0]=4 1747 B14R2.384 Cc1[nH]cnc1CSc2ccco2 62a_100009814098_100000751220 [0,1,0,0,1,0|2,0,0]=4 1748 B14R2.384 Cc1ccsc1SCc2ncco2 62a_100010247149_103436540062 [0,1,0,0,1,0|1,1,0]=4 1749 B14R2.384 Cc1ccsc1SCc2ncco2 62a_103436540062_100010247149 [0,1,0,0,1,0|1,1,0]=4 1750 B14R2.384 Cc1ocnc1CSc2ccco2 62a_100009814098_200000693990 [0,1,0,0,1,0|2,0,0]=4 1751 B14R2.384 Cc1ocnc1CSc2ccco2 62a_200000693990_100009814098 [0,1,0,0,1,0|2,0,0]=4 1752 B14R2.384 Clc1sccc1CSc2ccco2 62a_100009814098_100010167017 [0,1,0,0,1,0|2,0,0]=4 1753 B14R2.384 Clc1sccc1CSc2ccco2 62a_100010167017_100009814098 [0,1,0,0,1,0|2,0,0]=4 1754 B14R2.384 Cn1ccnc1CSc2ccco2 62a_100000700302_100009814098 [0,1,0,0,1,0|2,0,0]=4 1755 B14R2.384 Cn1ccnc1CSc2ccco2 62a_100009814098_100000700302 [0,1,0,0,1,0|2,0,0]=4 1756 B14R2.384 Cn1nccc1CSc2ccco2 62a_100000691648_100009814098 [0,1,0,0,1,0|2,0,0]=4 1757 B14R2.384 Cn1nccc1CSc2ccco2 62a_100009814098_100000691648 [0,1,0,0,1,0|2,0,0]=4 1758 B16R2.2842 Brc1c[nH]c(c1)CNCCc2ccco2 270004a_100000694680_100000720742 [0,1,0,0,0,1|2,0,0]=4 1759 B16R2.2842 Brc1cc(on1)CNCCc2ccco2 270004a_100000694680_100009819588 [0,1,0,0,0,1|2,0,0]=4 1760 B16R2.2842 Brc1cc(on1)CSCCc2cccs2 62a_100000709089_100000748579 [0,1,0,0,0,1|1,1,0]=4 1761 B16R2.2842 Brc1cc(on1)CSCCc2cccs2 62a_100000748579_100000709089 [0,1,0,0,0,1|1,1,0]=4 1762 B16R2.2842 Brc1ccc(o1)CNCCc2ccco2 207a_100000694680_100000185145 [0,1,0,0,0,1|1,0,0]=3 1763 B16R2.2842 Brc1ccc(o1)CNCCc2ccco2 270004a_100000694680_100000185145 [0,1,0,0,0,1|1,0,0]=3 1764 B16R2.2842 Brc1ccc(o1)CNCCc2cccs2 207a_100000203755_100000185145 [0,1,0,0,0,1|1,1,0]=4 1765 B16R2.2842 Brc1ccc(o1)CNCCc2cccs2 270004a_100000203755_100000185145 [0,1,0,0,0,1|1,1,0]=4 1766 B16R2.2842 Brc1ccc(o1)CNCCc2cccs2 34a_100000708654_100000748579 [0,1,0,0,0,1|1,1,0]=4 1767 B16R2.2842 Brc1ccc(o1)COCCc2cccs2 34a_100000246276_100000748579 [0,1,0,0,0,1|0,2,0]=4 1768 B16R2.2842 Brc1ccc(o1)COCCc2cccs2 7a_100000246276_100000748579 [0,1,0,0,0,1|0,2,0]=4 1769 B16R2.2842 Brc1ccc(s1)CCNCc2ccco2 207a_100000217605_100000186105 [0,1,0,0,0,1|1,1,0]=4 1770 B16R2.2842 Brc1ccc(s1)CCNCc2ccco2 270004a_100000217605_100000186105 [0,1,0,0,0,1|1,1,0]=4 1771 B16R2.2842 Brc1ccc(s1)CNCCc2ccco2 207a_100000694680_100000179771 [0,1,0,0,0,1|1,1,0]=4 1772 B16R2.2842 Brc1ccc(s1)CNCCc2ccco2 2230a_100000694680_100000708592 [0,1,0,0,0,1|1,1,0]=4 1773 B16R2.2842 Brc1ccc(s1)CNCCc2ccco2 270004a_100000694680_100000179771 [0,1,0,0,0,1|1,1,0]=4 1774 B16R2.2842 Brc1ccc(s1)CNCCc2ccco2 34a_100000694680_100000708592 [0,1,0,0,0,1|1,1,0]=4 1775 B16R2.2842 Brc1ccc(s1)CSCCc2cccs2 62a_100000708592_100000748579 [0,1,0,0,0,1|0,2,0]=4 1776 B16R2.2842 Brc1ccc(s1)CSCCc2cccs2 62a_100000748579_100000708592 [0,1,0,0,0,1|0,2,0]=4 1777 B16R2.2842 Brc1coc(c1)CNCCc2ccco2 270004a_100000694680_100000747035 [0,1,0,0,0,1|1,0,0]=3 1778 B16R2.2842 Brc1coc(c1)CNCCc2cccs2 270004a_100000203755_100000747035 [0,1,0,0,0,1|1,1,0]=4 1779 B16R2.2842 Brc1csc(c1)CNCCc2ccco2 207a_100000694680_100000211722 [0,1,0,0,0,1|1,1,0]=4 1780 B16R2.2842 Brc1csc(c1)CNCCc2ccco2 2230a_100000694680_100000746031 [0,1,0,0,0,1|1,1,0]=4 1781 B16R2.2842 Brc1csc(c1)CNCCc2ccco2 270004a_100000694680_100000211722 [0,1,0,0,0,1|1,1,0]=4 1782 B16R2.2842 Brc1csc(c1)CNCCc2ccco2 34a_100000694680_100000746031 [0,1,0,0,0,1|1,1,0]=4 1783 B16R2.2842 Brc1csc(c1)CSCCc2cccs2 62a_100000746031_100000748579 [0,1,0,0,0,1|0,2,0]=4 1784 B16R2.2842 Brc1csc(c1)CSCCc2cccs2 62a_100000748579_100000746031 [0,1,0,0,0,1|0,2,0]=4 1785 B16R2.2842 Cc1cc(on1)CNCCc2ccco2 207a_100000694680_100011794430 [0,1,0,0,0,1|2,0,0]=4 1786 B16R2.2842 Cc1cc(on1)CNCCc2ccco2 2230a_100000694680_100000707947 [0,1,0,0,0,1|2,0,0]=4 1787 B16R2.2842 Cc1cc(on1)CNCCc2ccco2 270004a_100000694680_100011794430 [0,1,0,0,0,1|2,0,0]=4 1788 B16R2.2842 Cc1cc(on1)CNCCc2ccco2 34a_100000694680_100000707947 [0,1,0,0,0,1|2,0,0]=4 1789 B16R2.2842 Cc1cc(on1)CSCCc2cccs2 62a_100000707947_100000748579 [0,1,0,0,0,1|1,1,0]=4 1790 B16R2.2842 Cc1cc(on1)CSCCc2cccs2 62a_100000748579_100000707947 [0,1,0,0,0,1|1,1,0]=4 1791 B16R2.2842 Cc1ccc(o1)CCNCc2ccco2 207a_100000739271_100000186105 [0,1,0,0,0,1|1,0,0]=3 1792 B16R2.2842 Cc1ccc(o1)CCNCc2ccco2 270004a_100000739271_100000186105 [0,1,0,0,0,1|1,0,0]=3 1793 B16R2.2842 Cc1ccc(o1)CCNCc2cccs2 207a_100000739271_100000209959 [0,1,0,0,0,1|1,1,0]=4 1794 B16R2.2842 Cc1ccc(o1)CCNCc2cccs2 270004a_100000739271_100000209959 [0,1,0,0,0,1|1,1,0]=4 1795 B16R2.2842 Cc1ccc(o1)CCNCc2cnco2 270004a_100000739271_100000064291 [0,1,0,0,0,1|2,0,0]=4 1796 B16R2.2842 Cc1ccc(o1)CCNCc2ncco2 2230a_100000739271_103436540062 [0,1,0,0,0,1|2,0,0]=4 1797 B16R2.2842 Cc1ccc(o1)CCNCc2ncco2 270004a_100000739271_100000064290 [0,1,0,0,0,1|2,0,0]=4 1798 B16R2.2842 Cc1ccc(o1)CCNCc2ncco2 34a_100000739271_103436540062 [0,1,0,0,0,1|2,0,0]=4 1799 B16R2.2842 Cc1ccc(o1)CCOCc2ncco2 34a_100012161071_103436540062 [0,1,0,0,0,1|1,1,0]=4 1800 B16R2.2842 Cc1ccc(o1)CCOCc2ncco2 7a_100012161071_103436540062 [0,1,0,0,0,1|1,1,0]=4 1801 B16R2.2842 Cc1ccc(o1)CNCCc2ccco2 207a_100000694680_100000183696 [0,1,0,0,0,1|1,0,0]=3 1802 B16R2.2842 Cc1ccc(o1)CNCCc2ccco2 270004a_100000694680_100000183696 [0,1,0,0,0,1|1,0,0]=3 1803 B16R2.2842 Cc1ccc(o1)CNCCc2cccs2 207a_100000203755_100000183696 [0,1,0,0,0,1|1,1,0]=4 1804 B16R2.2842 Cc1ccc(o1)CNCCc2cccs2 270004a_100000203755_100000183696 [0,1,0,0,0,1|1,1,0]=4 1805 B16R2.2842 Cc1ccc(o1)CNCCc2cccs2 34a_100011194323_100000748579 [0,1,0,0,0,1|1,1,0]=4 1806 B16R2.2842 Cc1ccc(o1)COCCc2cccs2 34a_100011232665_100000748579 [0,1,0,0,0,1|0,2,0]=4 1807 B16R2.2842 Cc1ccc(o1)COCCc2cccs2 7a_100011232665_100000748579 [0,1,0,0,0,1|0,2,0]=4 1808 B16R2.2842 Cc1ccc(s1)CNCCc2ccco2 207a_100000694680_100000211121 [0,1,0,0,0,1|1,1,0]=4 1809 B16R2.2842 Cc1ccc(s1)CNCCc2ccco2 270004a_100000694680_100000211121 [0,1,0,0,0,1|1,1,0]=4 1810 B16R2.2842 Cc1csc(c1)CNCCc2ccco2 207a_100000694680_100102525248 [0,1,0,0,0,1|1,1,0]=4 1811 B16R2.2842 Cc1csc(c1)CNCCc2ccco2 270004a_100000694680_100102525248 [0,1,0,0,0,1|1,1,0]=4 1812 B16R2.2842 Cc1ncc(o1)CNCCc2ccco2 207a_100000694680_100000084308 [0,1,0,0,0,1|2,0,0]=4 1813 B16R2.2842 Cc1ncc(o1)CNCCc2ccco2 270004a_100000694680_100000084308 [0,1,0,0,0,1|2,0,0]=4 1814 B16R2.2842 Clc1ccc(o1)CNCCc2ccco2 207a_100000694680_100000188459 [0,1,0,0,0,1|1,0,0]=3 1815 B16R2.2842 Clc1ccc(o1)CNCCc2ccco2 270004a_100000694680_100000188459 [0,1,0,0,0,1|1,0,0]=3 1816 B16R2.2842 Clc1ccc(o1)CNCCc2cccs2 207a_100000203755_100000188459 [0,1,0,0,0,1|1,1,0]=4 1817 B16R2.2842 Clc1ccc(o1)CNCCc2cccs2 270004a_100000203755_100000188459 [0,1,0,0,0,1|1,1,0]=4 1818 B16R2.2842 Clc1ccc(s1)CNCCc2ccco2 207a_100000694680_100000242774 [0,1,0,0,0,1|1,1,0]=4 1819 B16R2.2842 Clc1ccc(s1)CNCCc2ccco2 2230a_100000694680_100000185097 [0,1,0,0,0,1|1,1,0]=4 1820 B16R2.2842 Clc1ccc(s1)CNCCc2ccco2 270004a_100000694680_100000242774 [0,1,0,0,0,1|1,1,0]=4 1821 B16R2.2842 Clc1ccc(s1)CNCCc2ccco2 34a_100000694680_100000185097 [0,1,0,0,0,1|1,1,0]=4 1822 B16R2.2842 Clc1ccc(s1)CSCCc2cccs2 62a_100000185097_100000748579 [0,1,0,0,0,1|0,2,0]=4 1823 B16R2.2842 Clc1ccc(s1)CSCCc2cccs2 62a_100000748579_100000185097 [0,1,0,0,0,1|0,2,0]=4 1824 B16R2.2842 Clc1csc(c1)CNCCc2ccco2 207a_100000694680_100000102487 [0,1,0,0,0,1|1,1,0]=4 1825 B16R2.2842 Clc1csc(c1)CNCCc2ccco2 270004a_100000694680_100000102487 [0,1,0,0,0,1|1,1,0]=4 1826 B16R2.2842 Ic1ccc(o1)CNCCc2ccco2 207a_100000694680_100000186757 [0,1,0,0,0,1|1,0,0]=3 1827 B16R2.2842 Ic1ccc(o1)CNCCc2cccs2 207a_100000203755_100000186757 [0,1,0,0,0,1|1,1,0]=4 1828 B16R2.2842 Ic1csc(c1)CNCCc2ccco2 207a_100000694680_100010179861 [0,1,0,0,0,1|1,1,0]=4 1829 B16R2.3018 Brc1ccoc1CNCCc2ccco2 270004a_100000694680_100000756499 [0,1,0,0,0,1|1,0,0]=3 1830 B16R2.3018 Brc1ccoc1CNCCc2cccs2 270004a_100000203755_100000756499 [0,1,0,0,0,1|1,1,0]=4 1831 B16R2.3018 Brc1ccsc1CNCCc2ccco2 207a_100000694680_100000766043 [0,1,0,0,0,1|1,1,0]=4 1832 B16R2.3018 Brc1ccsc1CNCCc2ccco2 270004a_100000694680_100000766043 [0,1,0,0,0,1|1,1,0]=4 1833 B16R2.3018 Cc1ccoc1CNCCc2ccco2 207a_100000694680_100000763527 [0,1,0,0,0,1|1,0,0]=3 1834 B16R2.3018 Cc1ccoc1CNCCc2ccco2 270004a_100000694680_100000763527 [0,1,0,0,0,1|1,0,0]=3 1835 B16R2.3018 Cc1ccoc1CNCCc2cccs2 207a_100000203755_100000763527 [0,1,0,0,0,1|1,1,0]=4 1836 B16R2.3018 Cc1ccoc1CNCCc2cccs2 270004a_100000203755_100000763527 [0,1,0,0,0,1|1,1,0]=4 1837 B16R2.3018 Cc1ccoc1COCCc2cccs2 34a_100011273948_100000748579 [0,1,0,0,0,1|0,2,0]=4 1838 B16R2.3018 Cc1ccoc1COCCc2cccs2 7a_100011273948_100000748579 [0,1,0,0,0,1|0,2,0]=4 1839 B16R2.3018 Cc1ccsc1CNCCc2ccco2 207a_100000694680_100000210881 [0,1,0,0,0,1|1,1,0]=4 1840 B16R2.3018 Cc1ccsc1CNCCc2ccco2 270004a_100000694680_100000210881 [0,1,0,0,0,1|1,1,0]=4 1841 B16R2.3018 Clc1ccsc1CNCCc2ccco2 207a_100000694680_100000722334 [0,1,0,0,0,1|1,1,0]=4 1842 B16R2.3018 Clc1ccsc1CNCCc2ccco2 270004a_100000694680_100000722334 [0,1,0,0,0,1|1,1,0]=4 1843 B16R2.3018 Cn1cccc1CNCCc2ccco2 270004a_100000694680_100000211633 [0,1,0,0,0,1|2,0,0]=4 1844 B16R2.5768 CC(Cc1ccco1)NCc2ccco2 270004a_100000185738_100011216958 [0,1,0,0,0,1|1,0,0]=3 1845 B16R2.5768 CC(Cc1ccco1)NCc2cccs2 270004a_100000211653_100011216958 [0,1,0,0,0,1|1,1,0]=4 1846 B16R2.5768 CC(Cc1ccco1)NCc2cnco2 270004a_100020634212_100011216958 [0,1,0,0,0,1|2,0,0]=4 1847 B16R2.5768 CC(Cc1ccco1)OCc2ncco2 34a_100011803939_103436540062 [0,1,0,0,0,1|1,1,0]=4 1848 B16R2.5768 CC(Cc1ccco1)OCc2ncco2 7a_100011803939_103436540062 [0,1,0,0,0,1|1,1,0]=4 1849 B16R2.5768 CC(Cc1cccs1)NCc2ccco2 207a_100000751415_100000186105 [0,1,0,0,0,1|1,1,0]=4 1850 B16R2.5768 CC(Cc1cccs1)NCc2ccco2 270004a_100000751415_100000186105 [0,1,0,0,0,1|1,1,0]=4 1851 B16R2.5768 CN(CCc1cccs1)Cc2ccco2 2230a_100000185268_100000748579 [0,1,0,0,0,1|1,1,0]=4 1852 B16R2.5768 CN(CCc1cccs1)Cc2ccco2 269982a_100000185268_100000748579 [0,1,0,0,0,1|1,1,0]=4 1853 B16R2.5768 O=C(CCc1ccco1)Cc2ncco2 1458a_100000185103_103436540062 [0,1,0,0,0,1|2,0,0]=4 1854 B16R2.5768 O=C(CCc1cccs1)Cc2ccco2 1458a_100011217309_100000748579 [0,1,0,0,0,1|1,1,0]=4 1855 B16R2.5768 O=C(Cc1ccc[nH]1)NCc2ccco2 11a_100000185738_100000238377 [0,1,0,0,0,1|2,0,0]=4 1856 B16R2.5768 O=C(Cc1ccc[nH]1)NCc2ccco2 240690a_100000185738_100000238377 [0,1,0,0,0,1|2,0,0]=4 1857 B16R2.5768 O=C(Cc1ccc[nH]1)NCc2ccco2 527a_100000185738_100000238377 [0,1,0,0,0,1|2,0,0]=4 1858 B16R2.5768 O=C(Cc1ccco1)NCc2ccc[nH]2 11a_100000764082_100011217309 [0,1,0,0,0,1|2,0,0]=4 1859 B16R2.5768 O=C(Cc1ccco1)NCc2ccc[nH]2 527a_100000764082_100011217309 [0,1,0,0,0,1|2,0,0]=4 1860 B16R2.5768 O=C(Cc1ccco1)NCc2ccco2 11a_100000185738_100011217309 [0,1,0,0,0,1|1,0,0]=3 1861 B16R2.5768 O=C(Cc1ccco1)NCc2ccco2 527a_100000185738_100011217309 [0,1,0,0,0,1|1,0,0]=3 1862 B16R2.5768 O=C(Cc1ccco1)NCc2cccs2 11a_100000211653_100011217309 [0,1,0,0,0,1|1,1,0]=4 1863 B16R2.5768 O=C(Cc1ccco1)NCc2cccs2 527a_100000211653_100011217309 [0,1,0,0,0,1|1,1,0]=4 1864 B16R2.5768 O=C(Cc1ccco1)NCc2cnco2 11a_100020634212_100011217309 [0,1,0,0,0,1|2,0,0]=4 1865 B16R2.5768 O=C(Cc1ccco1)NCc2cnco2 527a_100020634212_100011217309 [0,1,0,0,0,1|2,0,0]=4 1866 B16R2.5768 O=C(Cc1ccco1)NCc2ncco2 11a_100016994969_100011217309 [0,1,0,0,0,1|2,0,0]=4 1867 B16R2.5768 O=C(Cc1ccco1)NCc2ncco2 527a_100016994969_100011217309 [0,1,0,0,0,1|2,0,0]=4 1868 B16R2.5768 O=C(Cc1cccs1)NCc2ccco2 11a_100000185738_100000210189 [0,1,0,0,0,1|1,1,0]=4 1869 B16R2.5768 O=C(Cc1cccs1)NCc2ccco2 1626a_100000185738_100000210189 [0,1,0,0,0,1|1,1,0]=4 1870 B16R2.5768 O=C(Cc1cccs1)NCc2ccco2 240690a_100000185738_100000210189 [0,1,0,0,0,1|1,1,0]=4 1871 B16R2.27718 CC(NCCc1ccco1)c2ccc[nH]2 269862a_100000694680_100000183661 [0,1,0,0,0,1|2,0,0]=4 1872 B16R2.27718 CC(NCCc1ccco1)c2cccs2 269862a_100000694680_100000185736 [0,1,0,0,0,1|1,1,0]=4 1873 B16R2.27718 C[C@@H](NCCc1cccs1)c2ccco2 2230a_100160469435_100000748579 [0,1,0,0,0,1|1,1,0]=4 1874 B16R2.27718 C[C@H](OCCc1cccs1)c2ccco2 34a_100000755270_100000748579 [0,1,0,0,0,1|0,2,0]=4 1875 B16R2.27718 C[C@H](OCCc1cccs1)c2ccco2 7a_100000755270_100000748579 [0,1,0,0,0,1|0,2,0]=4 1876 B16R2.27718 O=C(CNCc1ccco1)c2cccs2 2230a_100000185738_100000211436 [0,1,0,0,0,1|1,1,0]=4 1877 B16R2.27718 O=C(CSCc1c[nH]cn1)c2ccco2 62a_100000211439_100000707719 [0,1,0,0,0,1|2,0,0]=4 1878 B16R2.27718 O=C(CSCc1c[nH]cn1)c2ccco2 62a_100000707719_100000211439 [0,1,0,0,0,1|2,0,0]=4 1879 B16R2.27718 O=C(CSCc1ccn[nH]1)c2ccco2 62a_100000211439_100000728653 [0,1,0,0,0,1|2,0,0]=4 1880 B16R2.27718 O=C(CSCc1ccn[nH]1)c2ccco2 62a_100000728653_100000211439 [0,1,0,0,0,1|2,0,0]=4 1881 B16R2.27718 O=C(CSCc1ccon1)c2ccco2 62a_100000211439_100000234950 [0,1,0,0,0,1|2,0,0]=4 1882 B16R2.27718 O=C(CSCc1ccon1)c2ccco2 62a_100000234950_100000211439 [0,1,0,0,0,1|2,0,0]=4 1883 B16R2.27718 O=C(CSCc1ccsc1)c2ccco2 62a_100000211439_100011233845 [0,1,0,0,0,1|2,0,0]=4 1884 B16R2.27718 O=C(CSCc1ccsc1)c2ccco2 62a_100011261437_100000211439 [0,1,0,0,0,1|2,0,0]=4 1885 B16R2.27718 O=C(CSCc1cncs1)c2ccco2 62a_100000211439_100015185245 [0,1,0,0,0,1|1,1,0]=4 1886 B16R2.27718 O=C(CSCc1cncs1)c2ccco2 62a_100015185245_100000211439 [0,1,0,0,0,1|1,1,0]=4 1887 B16R2.27718 O=C(CSCc1cscn1)c2ccco2 62a_100000205941_100000211439 [0,1,0,0,0,1|2,0,0]=4 1888 B16R2.27718 O=C(CSCc1cscn1)c2ccco2 62a_100000211439_100000205941 [0,1,0,0,0,1|2,0,0]=4 1889 B16R2.27718 O=C(CSCc1ncc[nH]1)c2ccco2 62a_100000211439_100016991755 [0,1,0,0,0,1|2,0,0]=4 1890 B16R2.27718 O=C(CSCc1ncc[nH]1)c2ccco2 62a_100016991755_100000211439 [0,1,0,0,0,1|2,0,0]=4 1891 B16R2.27718 O=C(CSCc1ncco1)c2ccc[nH]2 62a_103436540062_200011262396 [0,1,0,0,0,1|2,0,0]=4 1892 B16R2.27718 O=C(CSCc1ncco1)c2ccc[nH]2 62a_200011262396_103436540062 [0,1,0,0,0,1|2,0,0]=4 1893 B16R2.27718 O=C(CSCc1ncco1)c2ccco2 62a_100000211439_103436540062 [0,1,0,0,0,1|1,0,0]=3 1894 B16R2.27718 O=C(CSCc1ncco1)c2ccco2 62a_103436540062_100000211439 [0,1,0,0,0,1|1,0,0]=3 1895 B16R2.27718 O=C(CSCc1ncco1)c2cccs2 62a_100000211436_103436540062 [0,1,0,0,0,1|1,1,0]=4 1896 B16R2.27718 O=C(CSCc1ncco1)c2cccs2 62a_103436540062_100000211436 [0,1,0,0,0,1|1,1,0]=4 1897 B16R2.27718 O=C(CSCc1nccs1)c2ccco2 62a_100000211439_100015184050 [0,1,0,0,0,1|1,1,0]=4 1898 B16R2.27718 O=C(CSCc1nccs1)c2ccco2 62a_100015184050_100000211439 [0,1,0,0,0,1|1,1,0]=4 1899 B16R2.27718 OC(CNCc1ccco1)c2ccco2 207a_100000738650_100000186105 [0,1,0,0,0,1|1,0,0]=3 1900 B16R2.27718 OC(CNCc1ccco1)c2ccco2 270004a_100000738650_100000186105 [0,1,0,0,0,1|1,0,0]=3 1901 B16R2.27718 OC(CNCc1cccs1)c2ccco2 207a_100000738650_100000209959 [0,1,0,0,0,1|1,1,0]=4 1902 B16R2.27718 OC(CNCc1cccs1)c2ccco2 270004a_100000738650_100000209959 [0,1,0,0,0,1|1,1,0]=4 1903 B16R2.27718 OC(CNCc1cnco1)c2ccco2 270004a_100000738650_100000064291 [0,1,0,0,0,1|2,0,0]=4 1904 B16R2.27718 OC(CNCc1ncco1)c2ccco2 2230a_100000738650_103436540062 [0,1,0,0,0,1|2,0,0]=4 1905 B16R2.27718 OC(CNCc1ncco1)c2ccco2 270004a_100000738650_100000064290 [0,1,0,0,0,1|2,0,0]=4 1906 B16R2.135 Brc1ccc(cc1)CNCc2ccco2 207a_100000174875_100000186105 [0,1,0,0,0,1|2,0,0]=4 1907 B16R2.135 Brc1ccc(cc1)CNCc2ccco2 207a_100000185738_100000186029 [0,1,0,0,0,1|2,0,0]=4 1908 B16R2.135 Brc1ccc(cc1)CNCc2ccco2 2230a_100000185738_100011217064 [0,1,0,0,0,1|2,0,0]=4 1909 B16R2.135 Brc1ccc(cc1)CNCc2ccco2 270004a_100000174875_100000186105 [0,1,0,0,0,1|2,0,0]=4 1910 B16R2.135 Brc1ccc(cc1)CNCc2ccco2 270004a_100000185738_100000186029 [0,1,0,0,0,1|2,0,0]=4 1911 B16R2.135 Brc1ccc(cc1)CNCc2ccco2 34a_100000185738_100000189115 [0,1,0,0,0,1|2,0,0]=4 1912 B16R2.135 Brc1ccc(cc1)COCc2ccco2 34a_100000210059_100000189115 [0,1,0,0,0,1|1,1,0]=4 1913 B16R2.135 Brc1ccc(cc1)CSCc2ncco2 62a_100000189115_103436540062 [0,1,0,0,0,1|2,0,0]=4 1914 B16R2.135 Brc1ccc(cc1)CSCc2ncco2 62a_103436540062_100000189115 [0,1,0,0,0,1|2,0,0]=4 1915 B16R2.135 Brc1ccc(cn1)CNCc2ccco2 207a_100009817727_100000186105 [0,1,0,0,0,1|2,0,0]=4 1916 B16R2.135 Brc1ccc(cn1)CNCc2ccco2 2230a_100000185738_100009831999 [0,1,0,0,0,1|2,0,0]=4 1917 B16R2.135 Brc1ccc(cn1)CNCc2ccco2 270004a_100009817727_100000186105 [0,1,0,0,0,1|2,0,0]=4 1918 B16R2.135 Brc1ccc(cn1)CNCc2ccco2 34a_100000185738_100009831999 [0,1,0,0,0,1|2,0,0]=4 1919 B16R2.135 Brc1ccc(cn1)COCc2ccco2 34a_100000210059_100009831999 [0,1,0,0,0,1|1,1,0]=4 1920 B16R2.135 Brc1ccc(cn1)CSCc2ncco2 62a_100009831999_103436540062 [0,1,0,0,0,1|2,0,0]=4 1921 B16R2.135 Brc1ccc(cn1)CSCc2ncco2 62a_103436540062_100009831999 [0,1,0,0,0,1|2,0,0]=4 1922 B16R2.135 Brc1ccc(nc1)CNCc2ccco2 207a_100000185738_100000754260 [0,1,0,0,0,1|2,0,0]=4 1923 B16R2.135 Brc1ccc(nc1)CNCc2ccco2 2230a_100000185738_100000702658 [0,1,0,0,0,1|2,0,0]=4 1924 B16R2.135 Brc1ccc(nc1)CNCc2ccco2 270004a_100000185738_100000754260 [0,1,0,0,0,1|2,0,0]=4 1925 B16R2.135 Brc1ccc(nc1)CNCc2ccco2 34a_100000185738_100000702658 [0,1,0,0,0,1|2,0,0]=4 1926 B16R2.135 Brc1ccc(nc1)COCc2ccco2 34a_100000210059_100000702658 [0,1,0,0,0,1|1,1,0]=4 1927 B16R2.135 Brc1ccc(nc1)CSCc2ncco2 62a_100000702658_103436540062 [0,1,0,0,0,1|2,0,0]=4 1928 B16R2.135 Brc1ccc(nc1)CSCc2ncco2 62a_103436540062_100000702658 [0,1,0,0,0,1|2,0,0]=4 1929 B16R2.135 Brc1cnc(nc1)CNCc2ccco2 34a_100000185738_100010064664 [0,1,0,0,0,1|2,0,0]=4 1930 B16R2.135 Brc1cnc(nc1)COCc2ccco2 34a_100000210059_100010064664 [0,1,0,0,0,1|1,1,0]=4 1931 B16R2.135 Brc1cnc(nc1)CSCc2ncco2 62a_100010064664_103436540062 [0,1,0,0,0,1|2,0,0]=4 1932 B16R2.135 Brc1cnc(nc1)CSCc2ncco2 62a_103436540062_100010064664 [0,1,0,0,0,1|2,0,0]=4 1933 B16R2.135 Cc1ccc(cc1)CNCc2ccco2 207a_100000174908_100000186105 [0,1,0,0,0,1|2,0,0]=4 1934 B16R2.135 Cc1ccc(cc1)CNCc2ccco2 207a_100000185738_100000211033 [0,1,0,0,0,1|2,0,0]=4 1935 B16R2.135 Cc1ccc(cc1)CNCc2ccco2 2230a_100000185738_100000210814 [0,1,0,0,0,1|2,0,0]=4 1936 B16R2.135 Cc1ccc(cc1)CNCc2ccco2 270004a_100000174908_100000186105 [0,1,0,0,0,1|2,0,0]=4 1937 B16R2.135 Cc1ccc(cc1)CNCc2ccco2 270004a_100000185738_100000211033 [0,1,0,0,0,1|2,0,0]=4 1938 B16R2.135 Cc1ccc(cc1)CNCc2ccco2 34a_100000185738_100000210814 [0,1,0,0,0,1|2,0,0]=4 1939 B16R2.135 Cc1ccc(cc1)COCc2ccco2 34a_100000210059_100000210814 [0,1,0,0,0,1|1,1,0]=4 1940 B16R2.135 Cc1ccc(cc1)CSCc2ncco2 62a_100000210814_103436540062 [0,1,0,0,0,1|2,0,0]=4 1941 B16R2.135 Cc1ccc(cc1)CSCc2ncco2 62a_103436540062_100000210814 [0,1,0,0,0,1|2,0,0]=4 1942 B16R2.135 Cc1ccc(cn1)CNCc2ccco2 207a_100000740942_100000186105 [0,1,0,0,0,1|2,0,0]=4 1943 B16R2.135 Cc1ccc(cn1)CNCc2ccco2 2230a_100000185738_100016987292 [0,1,0,0,0,1|2,0,0]=4 1944 B16R2.135 Cc1ccc(cn1)CNCc2ccco2 270004a_100000185738_100000743784 [0,1,0,0,0,1|2,0,0]=4 1945 B16R2.135 Cc1ccc(cn1)CNCc2ccco2 270004a_100000740942_100000186105 [0,1,0,0,0,1|2,0,0]=4 1946 B16R2.135 Cc1ccc(cn1)CNCc2ccco2 34a_100000185738_100016987292 [0,1,0,0,0,1|2,0,0]=4 1947 B16R2.135 Cc1ccc(cn1)COCc2ccco2 34a_100000210059_100016987292 [0,1,0,0,0,1|1,1,0]=4 1948 B16R2.135 Cc1ccc(cn1)CSCc2ncco2 62a_100016987292_103436540062 [0,1,0,0,0,1|2,0,0]=4 1949 B16R2.135 Cc1ccc(cn1)CSCc2ncco2 62a_103436540062_100016987292 [0,1,0,0,0,1|2,0,0]=4 1950 B16R2.135 Cc1ccc(nc1)CNCc2ccco2 207a_100000185738_100000050478 [0,1,0,0,0,1|2,0,0]=4 1951 B16R2.135 Cc1ccc(nc1)CNCc2ccco2 2230a_100000185738_100000691093 [0,1,0,0,0,1|2,0,0]=4 1952 B16R2.135 Cc1ccc(nc1)CNCc2ccco2 270004a_100000185738_100000050478 [0,1,0,0,0,1|2,0,0]=4 1953 B16R2.135 Cc1ccc(nc1)CNCc2ccco2 34a_100000185738_100000691093 [0,1,0,0,0,1|2,0,0]=4 1954 B16R2.135 Cc1ccc(nc1)COCc2ccco2 34a_100000210059_100000691093 [0,1,0,0,0,1|1,1,0]=4 1955 B16R2.135 Cc1ccc(nc1)CSCc2ncco2 62a_100000691093_103436540062 [0,1,0,0,0,1|2,0,0]=4 1956 B16R2.135 Cc1ccc(nc1)CSCc2ncco2 62a_103436540062_100000691093 [0,1,0,0,0,1|2,0,0]=4 1957 B16R2.135 Cc1cnc(cn1)CNCc2ccco2 2230a_100000185738_100000752025 [0,1,0,0,0,1|2,0,0]=4 1958 B16R2.135 Cc1cnc(cn1)CNCc2ccco2 270004a_100000185738_100000685221 [0,1,0,0,0,1|2,0,0]=4 1959 B16R2.135 Cc1cnc(cn1)CSCc2ncco2 62a_100000752025_103436540062 [0,1,0,0,0,1|2,0,0]=4 1960 B16R2.135 Cc1cnc(cn1)CSCc2ncco2 62a_103436540062_100000752025 [0,1,0,0,0,1|2,0,0]=4 1961 B16R2.135 Cc1cnc(nc1)CNCc2ccco2 2230a_100000185738_100000685645 [0,1,0,0,0,1|2,0,0]=4 1962 B16R2.135 Cc1cnc(nc1)CNCc2ccco2 34a_100000185738_100000685645 [0,1,0,0,0,1|2,0,0]=4 1963 B16R2.135 Cc1cnc(nc1)COCc2ccco2 34a_100000210059_100000685645 [0,1,0,0,0,1|1,1,0]=4 1964 B16R2.135 Cc1cnc(nc1)CSCc2ncco2 62a_100000685645_103436540062 [0,1,0,0,0,1|2,0,0]=4 1965 B16R2.135 Cc1cnc(nc1)CSCc2ncco2 62a_103436540062_100000685645 [0,1,0,0,0,1|2,0,0]=4 1966 B16R2.135 Clc1ccc(cc1)CNCc2ccco2 207a_100000174871_100000186105 [0,1,0,0,0,1|2,0,0]=4 1967 B16R2.135 Clc1ccc(cc1)CNCc2ccco2 207a_100000185738_100000189385 [0,1,0,0,0,1|2,0,0]=4 1968 B16R2.135 Clc1ccc(cc1)CNCc2ccco2 2230a_100000185738_100000694040 [0,1,0,0,0,1|2,0,0]=4 1969 B16R2.135 Clc1ccc(cc1)CNCc2ccco2 270004a_100000174871_100000186105 [0,1,0,0,0,1|2,0,0]=4 1970 B16R2.135 Clc1ccc(cc1)CNCc2ccco2 270004a_100000185738_100000189385 [0,1,0,0,0,1|2,0,0]=4 1971 B16R2.135 Clc1ccc(cc1)CNCc2ccco2 34a_100000185738_100000694040 [0,1,0,0,0,1|2,0,0]=4 1972 B16R2.135 Clc1ccc(cc1)COCc2ccco2 34a_100000210059_100000694040 [0,1,0,0,0,1|1,1,0]=4 1973 B16R2.135 Clc1ccc(cc1)CSCc2ncco2 62a_100000187161_103436540062 [0,1,0,0,0,1|2,0,0]=4 1974 B16R2.135 Clc1ccc(cc1)CSCc2ncco2 62a_103436540062_100000187161 [0,1,0,0,0,1|2,0,0]=4 1975 B16R2.135 Clc1ccc(cn1)CNCc2ccco2 207a_100000735879_100000186105 [0,1,0,0,0,1|2,0,0]=4 1976 B16R2.135 Clc1ccc(cn1)CNCc2ccco2 2230a_100000185738_100000735431 [0,1,0,0,0,1|2,0,0]=4 1977 B16R2.135 Clc1ccc(cn1)CNCc2ccco2 270004a_100000735879_100000186105 [0,1,0,0,0,1|2,0,0]=4 1978 B16R2.135 Clc1ccc(cn1)CNCc2ccco2 34a_100000185738_100000735431 [0,1,0,0,0,1|2,0,0]=4 1979 B16R2.135 Clc1ccc(cn1)COCc2ccco2 34a_100000210059_100000735431 [0,1,0,0,0,1|1,1,0]=4 1980 B16R2.135 Clc1ccc(cn1)CSCc2ncco2 62a_100000735431_103436540062 [0,1,0,0,0,1|2,0,0]=4 1981 B16R2.135 Clc1ccc(cn1)CSCc2ncco2 62a_103436540062_100000735431 [0,1,0,0,0,1|2,0,0]=4 1982 B16R2.135 Clc1ccc(nc1)CNCc2ccco2 207a_100000185738_100011361569 [0,1,0,0,0,1|2,0,0]=4 1983 B16R2.135 Clc1ccc(nc1)CNCc2ccco2 2230a_100000185738_100012066911 [0,1,0,0,0,1|2,0,0]=4 1984 B16R2.135 Clc1ccc(nc1)CNCc2ccco2 270004a_100000185738_100011361569 [0,1,0,0,0,1|2,0,0]=4 1985 B16R2.135 Clc1ccc(nc1)CNCc2ccco2 270004a_100000697193_100000186105 [0,1,0,0,0,1|2,0,0]=4 1986 B16R2.135 Clc1ccc(nc1)CNCc2ccco2 34a_100000185738_100012066911 [0,1,0,0,0,1|2,0,0]=4 1987 B16R2.135 Clc1ccc(nc1)COCc2ccco2 34a_100000210059_100012066911 [0,1,0,0,0,1|1,1,0]=4 1988 B16R2.135 Clc1ccc(nc1)CSCc2ncco2 62a_100012066911_103436540062 [0,1,0,0,0,1|2,0,0]=4 1989 B16R2.135 Clc1ccc(nc1)CSCc2ncco2 62a_103436540062_100000697101 [0,1,0,0,0,1|2,0,0]=4 1990 B16R2.135 Clc1ccc(nn1)CNCc2ccco2 2230a_100000185738_100016992710 [0,1,0,0,0,1|2,0,0]=4 1991 B16R2.135 Clc1ccc(nn1)CNCc2ccco2 270004a_100000185738_100000044651 [0,1,0,0,0,1|2,0,0]=4 1992 B16R2.135 Clc1ccc(nn1)CNCc2ccco2 34a_100000185738_100016992710 [0,1,0,0,0,1|2,0,0]=4 1993 B16R2.135 Clc1ccc(nn1)COCc2ccco2 34a_100000210059_100016992710 [0,1,0,0,0,1|1,1,0]=4 1994 B16R2.135 Clc1ccc(nn1)CSCc2ncco2 62a_100016992710_103436540062 [0,1,0,0,0,1|2,0,0]=4 1995 B16R2.135 Clc1ccc(nn1)CSCc2ncco2 62a_103436540062_100016992710 [0,1,0,0,0,1|2,0,0]=4 1996 B16R2.135 Clc1cnc(cn1)CNCc2ccco2 270004a_100000185738_100012001714 [0,1,0,0,0,1|2,0,0]=4 1997 B16R2.135 Fc1ccc(cc1)CNCc2ccco2 207a_100000174882_100000186105 [0,1,0,0,0,1|2,0,0]=4 1998 B16R2.135 Fc1ccc(cc1)CNCc2ccco2 207a_100000185738_100000210084 [0,1,0,0,0,1|2,0,0]=4 1999 B16R2.135 Fc1ccc(cc1)CNCc2ccco2 2230a_100000185738_100000198546 [0,1,0,0,0,1|2,0,0]=4 2000 B16R2.135 Fc1ccc(cc1)CNCc2ccco2 270004a_100000174882_100000186105 [0,1,0,0,0,1|2,0,0]=4 2001 B16R2.135 Fc1ccc(cc1)CNCc2ccco2 270004a_100000185738_100000210084 [0,1,0,0,0,1|2,0,0]=4 2002 B16R2.135 Fc1ccc(cc1)CNCc2ccco2 34a_100000185738_100000198546 [0,1,0,0,0,1|2,0,0]=4 2003 B16R2.135 Fc1ccc(cc1)COCc2ccco2 34a_100000210059_100000198546 [0,1,0,0,0,1|1,1,0]=4 2004 B16R2.135 Fc1ccc(cc1)CSCc2ncco2 62a_100000198546_103436540062 [0,1,0,0,0,1|2,0,0]=4 2005 B16R2.135 Fc1ccc(cc1)CSCc2ncco2 62a_103436540062_100000187164 [0,1,0,0,0,1|2,0,0]=4 2006 B16R2.135 Fc1ccc(cn1)CNCc2ccco2 2230a_100000185738_100009820150 [0,1,0,0,0,1|2,0,0]=4 2007 B16R2.135 Fc1ccc(cn1)CNCc2ccco2 270004a_100000101913_100000186105 [0,1,0,0,0,1|2,0,0]=4 2008 B16R2.135 Fc1ccc(cn1)CNCc2ccco2 34a_100000185738_100000099788 [0,1,0,0,0,1|2,0,0]=4 2009 B16R2.135 Fc1ccc(cn1)COCc2ccco2 34a_100000210059_100000099788 [0,1,0,0,0,1|1,1,0]=4 2010 B16R2.135 Fc1ccc(cn1)CSCc2ncco2 62a_100009820150_103436540062 [0,1,0,0,0,1|2,0,0]=4 2011 B16R2.135 Fc1ccc(cn1)CSCc2ncco2 62a_103436540062_100000099788 [0,1,0,0,0,1|2,0,0]=4 2012 B16R2.135 Fc1ccc(nc1)CNCc2ccco2 207a_100000185738_100011934744 [0,1,0,0,0,1|2,0,0]=4 2013 B16R2.135 Fc1ccc(nc1)CNCc2ccco2 2230a_100000185738_100000703193 [0,1,0,0,0,1|2,0,0]=4 2014 B16R2.135 Fc1ccc(nc1)CNCc2ccco2 270004a_100000185738_100011934744 [0,1,0,0,0,1|2,0,0]=4 2015 B16R2.135 Fc1ccc(nc1)CNCc2ccco2 34a_100000185738_100000703193 [0,1,0,0,0,1|2,0,0]=4 2016 B16R2.135 Fc1ccc(nc1)COCc2ccco2 34a_100000210059_100000703193 [0,1,0,0,0,1|1,1,0]=4 2017 B16R2.135 Fc1ccc(nc1)CSCc2ncco2 62a_100000703193_103436540062 [0,1,0,0,0,1|2,0,0]=4 2018 B16R2.135 Fc1ccc(nc1)CSCc2ncco2 62a_103436540062_100000703193 [0,1,0,0,0,1|2,0,0]=4 2019 B16R2.135 Ic1ccc(cc1)CNCc2ccco2 207a_100000185738_100000188517 [0,1,0,0,0,1|2,0,0]=4 2020 B16R2.135 Ic1ccc(cc1)CNCc2ccco2 207a_100016989417_100000186105 [0,1,0,0,0,1|2,0,0]=4 2021 B16R2.135 Ic1ccc(cc1)CNCc2ccco2 2230a_100000185738_100000189116 [0,1,0,0,0,1|2,0,0]=4 2022 B16R2.135 Ic1ccc(cc1)CNCc2ccco2 270004a_100016989417_100000186105 [0,1,0,0,0,1|2,0,0]=4 2023 B16R2.135 Ic1ccc(cc1)CNCc2ccco2 34a_100000185738_100000189116 [0,1,0,0,0,1|2,0,0]=4 2024 B16R2.135 Ic1ccc(cc1)COCc2ccco2 34a_100000210059_100000189116 [0,1,0,0,0,1|1,1,0]=4 2025 B16R2.135 Ic1ccc(cc1)CSCc2ncco2 62a_100000189116_103436540062 [0,1,0,0,0,1|2,0,0]=4 2026 B16R2.135 Ic1ccc(cc1)CSCc2ncco2 62a_103436540062_100000189116 [0,1,0,0,0,1|2,0,0]=4 2027 B16R2.135 O=c1ccc(n[nH]1)CNCc2ccco2 207a_100000185738_100011361533 [0,1,0,0,0,1|2,0,0]=4 2028 B16R2.135 O=c1ccc(n[nH]1)CNCc2ccco2 270004a_100000185738_100011361533 [0,1,0,0,0,1|2,0,0]=4 2029 B16R2.135 Oc1ccc(cn1)CNCc2ccco2 207a_100000185738_100011361521 [0,1,0,0,0,1|2,0,0]=4 2030 B16R2.255 Brc1cc(ccn1)CNCc2ccco2 2230a_100000185738_100010243470 [0,1,0,0,0,1|2,0,0]=4 2031 B16R2.255 Brc1cc(ccn1)CNCc2ccco2 270004a_100000185738_100009814634 [0,1,0,0,0,1|2,0,0]=4 2032 B16R2.255 Brc1cc(ccn1)CNCc2ccco2 270004a_100025757509_100000186105 [0,1,0,0,0,1|2,0,0]=4 2033 B16R2.255 Brc1cc(ccn1)CNCc2ccco2 34a_100000185738_100010243470 [0,1,0,0,0,1|2,0,0]=4 2034 B16R2.255 Brc1cc(ccn1)COCc2ccco2 34a_100000210059_100010243470 [0,1,0,0,0,1|1,1,0]=4 2035 B16R2.255 Brc1cc(ccn1)CSCc2ncco2 62a_100010254460_103436540062 [0,1,0,0,0,1|2,0,0]=4 2036 B16R2.255 Brc1cc(ccn1)CSCc2ncco2 62a_103436540062_100010243470 [0,1,0,0,0,1|2,0,0]=4 2037 B16R2.255 Brc1cccc(c1)CNCc2ccco2 207a_100000174977_100000186105 [0,1,0,0,0,1|2,0,0]=4 2038 B16R2.255 Brc1cccc(c1)CNCc2ccco2 207a_100000185738_100000210085 [0,1,0,0,0,1|2,0,0]=4 2039 B16R2.255 Brc1cccc(c1)CNCc2ccco2 2230a_100000185738_100000698116 [0,1,0,0,0,1|2,0,0]=4 2040 B16R2.255 Brc1cccc(c1)CNCc2ccco2 270004a_100000174977_100000186105 [0,1,0,0,0,1|2,0,0]=4 2041 B16R2.255 Brc1cccc(c1)CNCc2ccco2 270004a_100000185738_100000210085 [0,1,0,0,0,1|2,0,0]=4 2042 B16R2.255 Brc1cccc(c1)CNCc2ccco2 34a_100000185738_100000698116 [0,1,0,0,0,1|2,0,0]=4 2043 B16R2.255 Brc1cccc(c1)COCc2ccco2 34a_100000210059_100000698116 [0,1,0,0,0,1|1,1,0]=4 2044 B16R2.255 Brc1cccc(c1)CSCc2ncco2 62a_100000211773_103436540062 [0,1,0,0,0,1|2,0,0]=4 2045 B16R2.255 Brc1cccc(c1)CSCc2ncco2 62a_103436540062_100000211773 [0,1,0,0,0,1|2,0,0]=4 2046 B16R2.255 Brc1cccc(n1)CNCc2ccco2 2230a_100000185738_100009889011 [0,1,0,0,0,1|2,0,0]=4 2047 B16R2.255 Brc1cccc(n1)CNCc2ccco2 270004a_100000185738_100000688028 [0,1,0,0,0,1|2,0,0]=4 2048 B16R2.255 Brc1cccc(n1)CNCc2ccco2 34a_100000185738_100009889011 [0,1,0,0,0,1|2,0,0]=4 2049 B16R2.255 Brc1cccc(n1)COCc2ccco2 34a_100000210059_100009889011 [0,1,0,0,0,1|1,1,0]=4 2050 B16R2.255 Brc1cccc(n1)CSCc2ncco2 62a_100009889011_103436540062 [0,1,0,0,0,1|2,0,0]=4 2051 B16R2.255 Brc1cccc(n1)CSCc2ncco2 62a_103436540062_100009889011 [0,1,0,0,0,1|2,0,0]=4 2052 B16R2.255 Brc1ccnc(c1)CNCc2ccco2 2230a_100000185738_100010173614 [0,1,0,0,0,1|2,0,0]=4 2053 B16R2.255 Brc1ccnc(c1)CNCc2ccco2 270004a_100000185738_100009818557 [0,1,0,0,0,1|2,0,0]=4 2054 B16R2.255 Brc1ccnc(c1)CNCc2ccco2 34a_100000185738_100010173614 [0,1,0,0,0,1|2,0,0]=4 2055 B16R2.255 Brc1ccnc(c1)COCc2ccco2 34a_100000210059_100010173614 [0,1,0,0,0,1|1,1,0]=4 2056 B16R2.255 Brc1ccnc(c1)CSCc2ncco2 62a_100010173614_103436540062 [0,1,0,0,0,1|2,0,0]=4 2057 B16R2.255 Brc1ccnc(c1)CSCc2ncco2 62a_103436540062_100010173614 [0,1,0,0,0,1|2,0,0]=4 2058 B16R2.255 Brc1cncc(c1)CNCc2ccco2 207a_100000185738_100000687066 [0,1,0,0,0,1|2,0,0]=4 2059 B16R2.255 Brc1cncc(c1)CNCc2ccco2 207a_100011249555_100000186105 [0,1,0,0,0,1|2,0,0]=4 2060 B16R2.255 Brc1cncc(c1)CNCc2ccco2 2230a_100000185738_100000738771 [0,1,0,0,0,1|2,0,0]=4 2061 B16R2.255 Brc1cncc(c1)CNCc2ccco2 270004a_100000185738_100000687066 [0,1,0,0,0,1|2,0,0]=4 2062 B16R2.255 Brc1cncc(c1)CNCc2ccco2 270004a_100011249555_100000186105 [0,1,0,0,0,1|2,0,0]=4 2063 B16R2.255 Brc1cncc(c1)CNCc2ccco2 34a_100000185738_100000738771 [0,1,0,0,0,1|2,0,0]=4 2064 B16R2.255 Brc1cncc(c1)COCc2ccco2 34a_100000210059_100000738771 [0,1,0,0,0,1|1,1,0]=4 2065 B16R2.255 Brc1cncc(c1)CSCc2ncco2 62a_100000738771_103436540062 [0,1,0,0,0,1|2,0,0]=4 2066 B16R2.255 Brc1cncc(c1)CSCc2ncco2 62a_103436540062_100000738771 [0,1,0,0,0,1|2,0,0]=4 2067 B16R2.255 Cc1cc(ccn1)CNCc2ccco2 207a_100000185738_100011361630 [0,1,0,0,0,1|2,0,0]=4 2068 B16R2.255 Cc1cc(ccn1)CNCc2ccco2 207a_100011934566_100000186105 [0,1,0,0,0,1|2,0,0]=4 2069 B16R2.255 Cc1cc(ccn1)CNCc2ccco2 2230a_100000185738_200020672517 [0,1,0,0,0,1|2,0,0]=4 2070 B16R2.255 Cc1cc(ccn1)CNCc2ccco2 270004a_100000185738_100011361630 [0,1,0,0,0,1|2,0,0]=4 2071 B16R2.255 Cc1cc(ccn1)CNCc2ccco2 270004a_100011934566_100000186105 [0,1,0,0,0,1|2,0,0]=4 2072 B16R2.255 Cc1cc(ccn1)CNCc2ccco2 34a_100000185738_200020672517 [0,1,0,0,0,1|2,0,0]=4 2073 B16R2.255 Cc1cc(ccn1)COCc2ccco2 34a_100000210059_200020672517 [0,1,0,0,0,1|1,1,0]=4 2074 B16R2.255 Cc1cc(ccn1)CSCc2ncco2 62a_103436540062_200020672517 [0,1,0,0,0,1|2,0,0]=4 2075 B16R2.255 Cc1cc(ccn1)CSCc2ncco2 62a_200020672517_103436540062 [0,1,0,0,0,1|2,0,0]=4 2076 B16R2.255 Cc1cccc(c1)CNCc2ccco2 207a_100000185548_100000186105 [0,1,0,0,0,1|2,0,0]=4 2077 B16R2.255 Cc1cccc(c1)CNCc2ccco2 207a_100000185738_100000211157 [0,1,0,0,0,1|2,0,0]=4 2078 B16R2.255 Cc1cccc(c1)CNCc2ccco2 2230a_100000185738_100000211840 [0,1,0,0,0,1|2,0,0]=4 2079 B16R2.255 Cc1cccc(c1)CNCc2ccco2 270004a_100000185548_100000186105 [0,1,0,0,0,1|2,0,0]=4 2080 B16R2.255 Cc1cccc(c1)CNCc2ccco2 270004a_100000185738_100000211157 [0,1,0,0,0,1|2,0,0]=4 2081 B16R2.255 Cc1cccc(c1)CNCc2ccco2 34a_100000185738_100000211840 [0,1,0,0,0,1|2,0,0]=4 2082 B16R2.255 Cc1cccc(c1)COCc2ccco2 34a_100000210059_100000211840 [0,1,0,0,0,1|1,1,0]=4 2083 B16R2.255 Cc1cccc(c1)CSCc2ncco2 62a_100000211840_103436540062 [0,1,0,0,0,1|2,0,0]=4 2084 B16R2.255 Cc1cccc(c1)CSCc2ncco2 62a_103436540062_100000211840 [0,1,0,0,0,1|2,0,0]=4 2085 B16R2.255 Cc1cccc(n1)CNCc2ccco2 207a_100000185738_100011215050 [0,1,0,0,0,1|2,0,0]=4 2086 B16R2.255 Cc1cccc(n1)CNCc2ccco2 2230a_100000185738_100000757606 [0,1,0,0,0,1|2,0,0]=4 2087 B16R2.255 Cc1cccc(n1)CNCc2ccco2 270004a_100000185738_100011215050 [0,1,0,0,0,1|2,0,0]=4 2088 B16R2.255 Cc1cccc(n1)CNCc2ccco2 34a_100000185738_100000757606 [0,1,0,0,0,1|2,0,0]=4 2089 B16R2.255 Cc1cccc(n1)COCc2ccco2 34a_100000210059_100000757606 [0,1,0,0,0,1|1,1,0]=4 2090 B16R2.255 Cc1cccc(n1)CSCc2ncco2 62a_100000757606_103436540062 [0,1,0,0,0,1|2,0,0]=4 2091 B16R2.255 Cc1cccc(n1)CSCc2ncco2 62a_103436540062_100000757606 [0,1,0,0,0,1|2,0,0]=4 2092 B16R2.255 Cc1ccnc(c1)CNCc2ccco2 207a_100000185738_100011361488 [0,1,0,0,0,1|2,0,0]=4 2093 B16R2.255 Cc1ccnc(c1)CNCc2ccco2 2230a_100000185738_100000718516 [0,1,0,0,0,1|2,0,0]=4 2094 B16R2.255 Cc1ccnc(c1)CNCc2ccco2 270004a_100000185738_100011361488 [0,1,0,0,0,1|2,0,0]=4 2095 B16R2.255 Cc1ccnc(c1)CNCc2ccco2 34a_100000185738_100000718516 [0,1,0,0,0,1|2,0,0]=4 2096 B16R2.255 Cc1ccnc(c1)COCc2ccco2 34a_100000210059_100000718516 [0,1,0,0,0,1|1,1,0]=4 2097 B16R2.255 Cc1ccnc(c1)CSCc2ncco2 62a_100000718516_103436540062 [0,1,0,0,0,1|2,0,0]=4 2098 B16R2.255 Cc1ccnc(c1)CSCc2ncco2 62a_103436540062_100000718516 [0,1,0,0,0,1|2,0,0]=4 2099 B16R2.255 Cc1cncc(c1)CNCc2ccco2 207a_100000185738_100011998712 [0,1,0,0,0,1|2,0,0]=4 2100 B16R2.255 Cc1cncc(c1)CNCc2ccco2 207a_100000692839_100000186105 [0,1,0,0,0,1|2,0,0]=4 2101 B16R2.255 Cc1cncc(c1)CNCc2ccco2 2230a_100000185738_100000716715 [0,1,0,0,0,1|2,0,0]=4 2102 B16R2.255 Cc1cncc(c1)CNCc2ccco2 270004a_100000185738_100011998712 [0,1,0,0,0,1|2,0,0]=4 2103 B16R2.255 Cc1cncc(c1)CNCc2ccco2 270004a_100000692839_100000186105 [0,1,0,0,0,1|2,0,0]=4 2104 B16R2.255 Cc1cncc(c1)CNCc2ccco2 34a_100000185738_100000716715 [0,1,0,0,0,1|2,0,0]=4 2105 B16R2.255 Cc1cncc(c1)COCc2ccco2 34a_100000210059_100000716715 [0,1,0,0,0,1|1,1,0]=4 2106 B16R2.255 Cc1cncc(c1)CSCc2ncco2 62a_100000716715_103436540062 [0,1,0,0,0,1|2,0,0]=4 2107 B16R2.255 Cc1cncc(c1)CSCc2ncco2 62a_103436540062_100000716715 [0,1,0,0,0,1|2,0,0]=4 2108 B16R2.255 Cc1cncc(n1)CNCc2ccco2 207a_100000185738_100000100294 [0,1,0,0,0,1|2,0,0]=4 2109 B16R2.255 Cc1cncc(n1)CNCc2ccco2 270004a_100000185738_100000100294 [0,1,0,0,0,1|2,0,0]=4 2110 B16R2.255 Cc1nccc(n1)CNCc2ccco2 270004a_100000185738_100011361539 [0,1,0,0,0,1|2,0,0]=4 2111 B16R2.255 Clc1cc(ccn1)CNCc2ccco2 2230a_100000185738_100000764220 [0,1,0,0,0,1|2,0,0]=4 2112 B16R2.255 Clc1cc(ccn1)CNCc2ccco2 270004a_100000185738_100011290808 [0,1,0,0,0,1|2,0,0]=4 2113 B16R2.255 Clc1cc(ccn1)CNCc2ccco2 270004a_100015205668_100000186105 [0,1,0,0,0,1|2,0,0]=4 2114 B16R2.255 Clc1cc(ccn1)CNCc2ccco2 34a_100000185738_100000764220 [0,1,0,0,0,1|2,0,0]=4 2115 B16R2.255 Clc1cc(ccn1)COCc2ccco2 34a_100000210059_100000764220 [0,1,0,0,0,1|1,1,0]=4 2116 B16R2.255 Clc1cc(ccn1)CSCc2ncco2 62a_100000764220_103436540062 [0,1,0,0,0,1|2,0,0]=4 2117 B16R2.255 Clc1cc(ccn1)CSCc2ncco2 62a_103436540062_100000764220 [0,1,0,0,0,1|2,0,0]=4 2118 B16R2.255 Clc1cccc(c1)CNCc2ccco2 207a_100000174878_100000186105 [0,1,0,0,0,1|2,0,0]=4 2119 B16R2.255 Clc1cccc(c1)CNCc2ccco2 207a_100000185738_100000210801 [0,1,0,0,0,1|2,0,0]=4 2120 B16R2.255 Clc1cccc(c1)CNCc2ccco2 2230a_100000185738_100000181238 [0,1,0,0,0,1|2,0,0]=4 2121 B16R2.255 Clc1cccc(c1)CNCc2ccco2 270004a_100000174878_100000186105 [0,1,0,0,0,1|2,0,0]=4 2122 B16R2.255 Clc1cccc(c1)CNCc2ccco2 270004a_100000185738_100000210801 [0,1,0,0,0,1|2,0,0]=4 2123 B16R2.255 Clc1cccc(c1)CNCc2ccco2 34a_100000185738_100000187163 [0,1,0,0,0,1|2,0,0]=4 2124 B16R2.255 Clc1cccc(c1)COCc2ccco2 34a_100000210059_100000187163 [0,1,0,0,0,1|1,1,0]=4 2125 B16R2.255 Clc1cccc(c1)CSCc2ncco2 62a_100000187163_103436540062 [0,1,0,0,0,1|2,0,0]=4 2126 B16R2.255 Clc1cccc(c1)CSCc2ncco2 62a_103436540062_100000187163 [0,1,0,0,0,1|2,0,0]=4 2127 B16R2.255 Clc1cccc(n1)CNCc2ccco2 2230a_100000185738_100000086093 [0,1,0,0,0,1|2,0,0]=4 2128 B16R2.255 Clc1cccc(n1)CNCc2ccco2 270004a_100000185738_100011361687 [0,1,0,0,0,1|2,0,0]=4 2129 B16R2.255 Clc1cccc(n1)CNCc2ccco2 34a_100000185738_100000086093 [0,1,0,0,0,1|2,0,0]=4 2130 B16R2.255 Clc1cccc(n1)COCc2ccco2 34a_100000210059_100000086093 [0,1,0,0,0,1|1,1,0]=4 2131 B16R2.255 Clc1cccc(n1)CSCc2ncco2 62a_100000086093_103436540062 [0,1,0,0,0,1|2,0,0]=4 2132 B16R2.255 Clc1cccc(n1)CSCc2ncco2 62a_103436540062_100000086093 [0,1,0,0,0,1|2,0,0]=4 2133 B16R2.255 Clc1ccnc(c1)CNCc2ccco2 2230a_100000185738_100016988179 [0,1,0,0,0,1|2,0,0]=4 2134 B16R2.255 Clc1ccnc(c1)CNCc2ccco2 270004a_100000185738_100011998288 [0,1,0,0,0,1|2,0,0]=4 2135 B16R2.255 Clc1ccnc(c1)CNCc2ccco2 34a_100000185738_100016988179 [0,1,0,0,0,1|2,0,0]=4 2136 B16R2.255 Clc1ccnc(c1)COCc2ccco2 34a_100000210059_100016988179 [0,1,0,0,0,1|1,1,0]=4 2137 B16R2.255 Clc1ccnc(c1)CSCc2ncco2 62a_100016988179_103436540062 [0,1,0,0,0,1|2,0,0]=4 2138 B16R2.255 Clc1ccnc(c1)CSCc2ncco2 62a_103436540062_100016988179 [0,1,0,0,0,1|2,0,0]=4 2139 B16R2.255 Clc1cncc(c1)CNCc2ccco2 207a_100000185738_100000088910 [0,1,0,0,0,1|2,0,0]=4 2140 B16R2.255 Clc1cncc(c1)CNCc2ccco2 207a_200020614424_100000186105 [0,1,0,0,0,1|2,0,0]=4 2141 B16R2.255 Clc1cncc(c1)CNCc2ccco2 2230a_100000185738_100016992070 [0,1,0,0,0,1|2,0,0]=4 2142 B16R2.255 Clc1cncc(c1)CNCc2ccco2 270004a_100000185738_100000088910 [0,1,0,0,0,1|2,0,0]=4 2143 B16R2.255 Clc1cncc(c1)CNCc2ccco2 270004a_200020614424_100000186105 [0,1,0,0,0,1|2,0,0]=4 2144 B16R2.255 Clc1cncc(c1)CNCc2ccco2 34a_100000185738_100016992070 [0,1,0,0,0,1|2,0,0]=4 2145 B16R2.255 Clc1cncc(c1)COCc2ccco2 34a_100000210059_100016992070 [0,1,0,0,0,1|1,1,0]=4 2146 B16R2.255 Clc1cncc(c1)CSCc2ncco2 62a_100016992070_103436540062 [0,1,0,0,0,1|2,0,0]=4 2147 B16R2.255 Clc1cncc(c1)CSCc2ncco2 62a_103436540062_100016992070 [0,1,0,0,0,1|2,0,0]=4 2148 B16R2.255 Clc1nccc(n1)CNCc2ccco2 2230a_100000185738_100000099655 [0,1,0,0,0,1|2,0,0]=4 2149 B16R2.255 Clc1nccc(n1)CNCc2ccco2 34a_100000185738_100000099655 [0,1,0,0,0,1|2,0,0]=4 2150 B16R2.255 Clc1nccc(n1)COCc2ccco2 34a_100000210059_100000099655 [0,1,0,0,0,1|1,1,0]=4 2151 B16R2.255 Clc1nccc(n1)CSCc2ncco2 62a_100000099655_103436540062 [0,1,0,0,0,1|2,0,0]=4 2152 B16R2.255 Clc1nccc(n1)CSCc2ncco2 62a_103436540062_100000099655 [0,1,0,0,0,1|2,0,0]=4 2153 B16R2.255 Fc1cc(ccn1)CNCc2ccco2 270004a_100000185738_100000068331 [0,1,0,0,0,1|2,0,0]=4 2154 B16R2.255 Fc1cc(ccn1)CNCc2ccco2 270004a_100015188774_100000186105 [0,1,0,0,0,1|2,0,0]=4 2155 B16R2.255 Fc1cccc(c1)CNCc2ccco2 207a_100000174948_100000186105 [0,1,0,0,0,1|2,0,0]=4 2156 B16R2.255 Fc1cccc(c1)CNCc2ccco2 207a_100000185738_100000210812 [0,1,0,0,0,1|2,0,0]=4 2157 B16R2.255 Fc1cccc(c1)CNCc2ccco2 2230a_100000185738_100000230114 [0,1,0,0,0,1|2,0,0]=4 2158 B16R2.255 Fc1cccc(c1)CNCc2ccco2 270004a_100000174948_100000186105 [0,1,0,0,0,1|2,0,0]=4 2159 B16R2.255 Fc1cccc(c1)CNCc2ccco2 270004a_100000185738_100000210812 [0,1,0,0,0,1|2,0,0]=4 2160 B16R2.255 Fc1cccc(c1)CNCc2ccco2 34a_100000185738_100000187166 [0,1,0,0,0,1|2,0,0]=4 2161 B16R2.255 Fc1cccc(c1)COCc2ccco2 34a_100000210059_100000187166 [0,1,0,0,0,1|1,1,0]=4 2162 B16R2.255 Fc1cccc(c1)CSCc2ncco2 62a_100000230114_103436540062 [0,1,0,0,0,1|2,0,0]=4 2163 B16R2.255 Fc1cccc(c1)CSCc2ncco2 62a_103436540062_100000230114 [0,1,0,0,0,1|2,0,0]=4 2164 B16R2.255 Fc1cccc(n1)CNCc2ccco2 2230a_100000185738_100009819644 [0,1,0,0,0,1|2,0,0]=4 2165 B16R2.255 Fc1cccc(n1)CNCc2ccco2 270004a_100000185738_100000050434 [0,1,0,0,0,1|2,0,0]=4 2166 B16R2.255 Fc1cccc(n1)CNCc2ccco2 34a_100000185738_100009819644 [0,1,0,0,0,1|2,0,0]=4 2167 B16R2.255 Fc1cccc(n1)COCc2ccco2 34a_100000210059_100009819644 [0,1,0,0,0,1|1,1,0]=4 2168 B16R2.255 Fc1cccc(n1)CSCc2ncco2 62a_100009819644_103436540062 [0,1,0,0,0,1|2,0,0]=4 2169 B16R2.255 Fc1cccc(n1)CSCc2ncco2 62a_103436540062_100009819644 [0,1,0,0,0,1|2,0,0]=4 2170 B16R2.255 Fc1cncc(c1)CNCc2ccco2 207a_100000185738_100011361476 [0,1,0,0,0,1|2,0,0]=4 2171 B16R2.255 Fc1cncc(c1)CNCc2ccco2 207a_100011962886_100000186105 [0,1,0,0,0,1|2,0,0]=4 2172 B16R2.255 Fc1cncc(c1)CNCc2ccco2 2230a_100000185738_100000725299 [0,1,0,0,0,1|2,0,0]=4 2173 B16R2.255 Fc1cncc(c1)CNCc2ccco2 270004a_100000185738_100011361476 [0,1,0,0,0,1|2,0,0]=4 2174 B16R2.255 Fc1cncc(c1)CNCc2ccco2 270004a_100011962886_100000186105 [0,1,0,0,0,1|2,0,0]=4 2175 B16R2.255 Fc1cncc(c1)CNCc2ccco2 34a_100000185738_100000725299 [0,1,0,0,0,1|2,0,0]=4 2176 B16R2.255 Fc1cncc(c1)COCc2ccco2 34a_100000210059_100000725299 [0,1,0,0,0,1|1,1,0]=4 2177 B16R2.255 Fc1cncc(c1)CSCc2ncco2 62a_100000725299_103436540062 [0,1,0,0,0,1|2,0,0]=4 2178 B16R2.255 Fc1cncc(c1)CSCc2ncco2 62a_103436540062_100000725299 [0,1,0,0,0,1|2,0,0]=4 2179 B16R2.255 Ic1cccc(c1)CNCc2ccco2 207a_100000106179_100000186105 [0,1,0,0,0,1|2,0,0]=4 2180 B16R2.255 Ic1cccc(c1)CNCc2ccco2 207a_100000185738_100000014684 [0,1,0,0,0,1|2,0,0]=4 2181 B16R2.255 Ic1cccc(c1)CNCc2ccco2 2230a_100000185738_100011218688 [0,1,0,0,0,1|2,0,0]=4 2182 B16R2.255 Ic1cccc(c1)CNCc2ccco2 270004a_100000106179_100000186105 [0,1,0,0,0,1|2,0,0]=4 2183 B16R2.255 Ic1cccc(c1)CNCc2ccco2 270004a_100000185738_100000014684 [0,1,0,0,0,1|2,0,0]=4 2184 B16R2.255 Ic1cccc(c1)CNCc2ccco2 34a_100000185738_100011218688 [0,1,0,0,0,1|2,0,0]=4 2185 B16R2.255 Ic1cccc(c1)COCc2ccco2 34a_100000210059_100011218688 [0,1,0,0,0,1|1,1,0]=4 2186 B16R2.255 Ic1cccc(c1)CSCc2ncco2 62a_100011218688_103436540062 [0,1,0,0,0,1|2,0,0]=4 2187 B16R2.255 Ic1cccc(c1)CSCc2ncco2 62a_103436540062_100011218688 [0,1,0,0,0,1|2,0,0]=4 2188 B16R2.255 O=c1cccc([nH]1)CNCc2ccco2 207a_100000185738_100011935257 [0,1,0,0,0,1|2,0,0]=4 2189 B16R2.255 Oc1cc(ccn1)CNCc2ccco2 207a_100000185738_100000688113 [0,1,0,0,0,1|2,0,0]=4 2190 B16R2.255 Oc1cccc(c1)CNCc2ccco2 207a_100000185738_100000188321 [0,1,0,0,0,1|2,0,0]=4 2191 B16R2.255 Oc1cccc(c1)CNCc2ccco2 207a_100000743036_100000186105 [0,1,0,0,0,1|2,0,0]=4 2192 B16R2.255 Oc1cccc(c1)CNCc2ccco2 2230a_100000185738_100011660834 [0,1,0,0,0,1|2,0,0]=4 2193 B16R2.255 Oc1cccc(c1)CNCc2ccco2 270004a_100000185738_100000188321 [0,1,0,0,0,1|2,0,0]=4 2194 B16R2.255 Oc1cccc(c1)CNCc2ccco2 270004a_100000743036_100000186105 [0,1,0,0,0,1|2,0,0]=4 2195 B16R2.255 Oc1cccc(c1)CNCc2ccco2 34a_100000185738_100011660834 [0,1,0,0,0,1|2,0,0]=4 2196 B16R2.255 Oc1cccc(c1)COCc2ccco2 34a_100000210059_100011660834 [0,1,0,0,0,1|1,1,0]=4 2197 B16R2.255 Oc1cccc(c1)CSCc2ncco2 62a_100011660834_103436540062 [0,1,0,0,0,1|2,0,0]=4 2198 B16R2.255 Oc1cccc(c1)CSCc2ncco2 62a_103436540062_100011660834 [0,1,0,0,0,1|2,0,0]=4 2199 B16R2.255 Oc1cncc(c1)CNCc2ccco2 207a_100000185738_100012187055 [0,1,0,0,0,1|2,0,0]=4 2200 B16R2.255 Oc1cncc(c1)CNCc2ccco2 270004a_100000185738_100012187055 [0,1,0,0,0,1|2,0,0]=4 2201 B16R2.524 CN(Cc1ccccc1)Cc2ccco2 2230a_100000184096_200000210301 [0,1,0,0,0,1|2,0,0]=4 2202 B16R2.524 CN(Cc1ccccc1)Cc2ccco2 2230a_100000185268_100015291786 [0,1,0,0,0,1|2,0,0]=4 2203 B16R2.524 CN(Cc1ccccc1)Cc2ccco2 269982a_100000184096_200000210301 [0,1,0,0,0,1|2,0,0]=4 2204 B16R2.524 CN(Cc1ccccc1)Cc2ccco2 269982a_100000185268_100000211182 [0,1,0,0,0,1|2,0,0]=4 2205 B16R2.524 CN(Cc1ccccc1)Cc2ccco2 270004a_100000185268_100015611070 [0,1,0,0,0,1|2,0,0]=4 2206 B16R2.524 CN(Cc1ccccc1)Cc2ccco2 270004a_100000186898_100000186105 [0,1,0,0,0,1|2,0,0]=4 2207 B16R2.524 CN(Cc1ccccn1)Cc2ccco2 2230a_100000185268_100000721315 [0,1,0,0,0,1|2,0,0]=4 2208 B16R2.524 CN(Cc1ccccn1)Cc2ccco2 2230a_100025718202_200000210301 [0,1,0,0,0,1|2,0,0]=4 2209 B16R2.524 CN(Cc1ccccn1)Cc2ccco2 269982a_100000185268_100000721315 [0,1,0,0,0,1|2,0,0]=4 2210 B16R2.524 CN(Cc1ccccn1)Cc2ccco2 269982a_100025718202_200000210301 [0,1,0,0,0,1|2,0,0]=4 2211 B16R2.524 CN(Cc1ccccn1)Cc2ccco2 270004a_100000185268_100000209966 [0,1,0,0,0,1|2,0,0]=4 2212 B16R2.524 CN(Cc1ccccn1)Cc2ccco2 270004a_100000207498_100000186105 [0,1,0,0,0,1|2,0,0]=4 2213 B16R2.524 CN(Cc1cccnc1)Cc2ccco2 2230a_100000185268_100000741622 [0,1,0,0,0,1|2,0,0]=4 2214 B16R2.524 CN(Cc1cccnc1)Cc2ccco2 2230a_100000200073_200000210301 [0,1,0,0,0,1|2,0,0]=4 2215 B16R2.524 CN(Cc1cccnc1)Cc2ccco2 269982a_100000185268_100000733263 [0,1,0,0,0,1|2,0,0]=4 2216 B16R2.524 CN(Cc1cccnc1)Cc2ccco2 269982a_100000200073_200000210301 [0,1,0,0,0,1|2,0,0]=4 2217 B16R2.524 CN(Cc1cccnc1)Cc2ccco2 270004a_100000184577_100000186105 [0,1,0,0,0,1|2,0,0]=4 2218 B16R2.524 CN(Cc1cccnc1)Cc2ccco2 270004a_100000185268_100000209961 [0,1,0,0,0,1|2,0,0]=4 2219 B16R2.524 CN(Cc1cccnn1)Cc2ccco2 2230a_100000185268_100016990269 [0,1,0,0,0,1|2,0,0]=4 2220 B16R2.524 CN(Cc1ccncc1)Cc2ccco2 2230a_100000185268_100015193705 [0,1,0,0,0,1|2,0,0]=4 2221 B16R2.524 CN(Cc1ccncc1)Cc2ccco2 269982a_100000185268_100015193705 [0,1,0,0,0,1|2,0,0]=4 2222 B16R2.524 CN(Cc1ccncc1)Cc2ccco2 270004a_100000187231_100000186105 [0,1,0,0,0,1|2,0,0]=4 2223 B16R2.524 CN(Cc1cnccn1)Cc2ccco2 2230a_100000185268_100016995436 [0,1,0,0,0,1|2,0,0]=4 2224 B16R2.524 CN(Cc1cnccn1)Cc2ccco2 269982a_100000185268_100016995436 [0,1,0,0,0,1|2,0,0]=4 2225 B16R2.524 CN(Cc1cnccn1)Cc2ccco2 270004a_100000185268_100000749867 [0,1,0,0,0,1|2,0,0]=4 2226 B16R2.524 CN(Cc1cnccn1)Cc2ccco2 270004a_100011269079_100000186105 [0,1,0,0,0,1|2,0,0]=4 2227 B16R2.524 CN(Cc1ncccn1)Cc2ccco2 2230a_100000185268_100000703007 [0,1,0,0,0,1|2,0,0]=4 2228 B16R2.524 CN(Cc1ncccn1)Cc2ccco2 269982a_100000185268_100000703007 [0,1,0,0,0,1|2,0,0]=4 2229 B16R2.524 CN(Cc1ncccn1)Cc2ccco2 270004a_100000185268_100011532527 [0,1,0,0,0,1|2,0,0]=4 2230 B16R2.524 O=C(Cc1ccccc1)Cc2ccco2 1458a_100011217309_100015291786 [0,1,0,0,0,1|2,0,0]=4 2231 B16R2.524 O=C(Cc1ccccn1)Cc2ccco2 1458a_100011217309_100000721315 [0,1,0,0,0,1|2,0,0]=4 2232 B16R2.524 O=C(Cc1cccnc1)Cc2ccco2 1458a_100011217309_100000733263 [0,1,0,0,0,1|2,0,0]=4 2233 B16R2.524 O=C(Cc1cccnn1)Cc2ccco2 1458a_100011217309_100016990269 [0,1,0,0,0,1|2,0,0]=4 2234 B16R2.524 O=C(Cc1ccncc1)Cc2ccco2 1458a_100011217309_100000705612 [0,1,0,0,0,1|2,0,0]=4 2235 B16R2.524 O=C(Cc1cnccn1)Cc2ccco2 1458a_100011217309_100016995436 [0,1,0,0,0,1|2,0,0]=4 2236 B16R2.524 O=C(Cc1ncccn1)Cc2ccco2 1458a_100011217309_100000703007 [0,1,0,0,0,1|2,0,0]=4 2237 B16R2.524 [13CH3]N(Cc1ccccc1)Cc2ccco2 2230a_100000184096_200025704644 [0,1,0,0,0,1|2,0,0]=4 2238 B16R2.524 [13CH3]N(Cc1ccccc1)Cc2ccco2 269982a_100000184096_200025704644 [0,1,0,0,0,1|2,0,0]=4 2239 B16R2.524 [13CH3]N(Cc1ccccn1)Cc2ccco2 2230a_100025718202_200025704644 [0,1,0,0,0,1|2,0,0]=4 2240 B16R2.524 [13CH3]N(Cc1ccccn1)Cc2ccco2 269982a_100025718202_200025704644 [0,1,0,0,0,1|2,0,0]=4 2241 B16R2.524 [13CH3]N(Cc1cccnc1)Cc2ccco2 2230a_100000200073_200025704644 [0,1,0,0,0,1|2,0,0]=4 2242 B16R2.524 [13CH3]N(Cc1cccnc1)Cc2ccco2 269982a_100000200073_200025704644 [0,1,0,0,0,1|2,0,0]=4 2243 B16R2.2238 C[C@@H](NCc1ccccc1)c2ccco2 207a_100160469435_100015611070 [0,1,0,0,0,1|2,0,0]=4 2244 B16R2.2238 C[C@@H](NCc1ccccc1)c2ccco2 2230a_100160469435_100015291786 [0,1,0,0,0,1|2,0,0]=4 2245 B16R2.2238 C[C@@H](NCc1ccccc1)c2ccco2 270004a_100160469435_100015611070 [0,1,0,0,0,1|2,0,0]=4 2246 B16R2.2238 C[C@@H](NCc1ccccn1)c2ccco2 207a_100160469435_100000209966 [0,1,0,0,0,1|2,0,0]=4 2247 B16R2.2238 C[C@@H](NCc1ccccn1)c2ccco2 2230a_100160469435_100000721315 [0,1,0,0,0,1|2,0,0]=4 2248 B16R2.2238 C[C@@H](NCc1ccccn1)c2ccco2 270004a_100160469435_100000209966 [0,1,0,0,0,1|2,0,0]=4 2249 B16R2.2238 C[C@@H](NCc1cccnc1)c2ccco2 207a_100160469435_100000209961 [0,1,0,0,0,1|2,0,0]=4 2250 B16R2.2238 C[C@@H](NCc1cccnc1)c2ccco2 2230a_100160469435_100000741622 [0,1,0,0,0,1|2,0,0]=4 2251 B16R2.2238 C[C@@H](NCc1cccnc1)c2ccco2 270004a_100160469435_100000209961 [0,1,0,0,0,1|2,0,0]=4 2252 B16R2.2238 C[C@@H](NCc1cccnn1)c2ccco2 2230a_100160469435_100016990269 [0,1,0,0,0,1|2,0,0]=4 2253 B16R2.2238 C[C@@H](NCc1ccncc1)c2ccco2 207a_100160469435_100000186114 [0,1,0,0,0,1|2,0,0]=4 2254 B16R2.2238 C[C@@H](NCc1ccncc1)c2ccco2 2230a_100160469435_100015193705 [0,1,0,0,0,1|2,0,0]=4 2255 B16R2.2238 C[C@@H](NCc1cnccn1)c2ccco2 2230a_100160469435_100016995436 [0,1,0,0,0,1|2,0,0]=4 2256 B16R2.2238 C[C@@H](NCc1cnccn1)c2ccco2 270004a_100160469435_100000749867 [0,1,0,0,0,1|2,0,0]=4 2257 B16R2.2238 C[C@@H](NCc1ncccn1)c2ccco2 2230a_100160469435_100000703007 [0,1,0,0,0,1|2,0,0]=4 2258 B16R2.2238 C[C@@H](NCc1ncccn1)c2ccco2 270004a_100160469435_100011532527 [0,1,0,0,0,1|2,0,0]=4 2259 B16R2.2238 C[C@H](OCc1ccccc1)c2ccco2 34a_100000755270_100015291786 [0,1,0,0,0,1|1,1,0]=4 2260 B16R2.2238 C[C@H](OCc1ccccc1)c2ccco2 7a_100000755270_100000211182 [0,1,0,0,0,1|1,1,0]=4 2261 B16R2.2238 C[C@H](OCc1ccccn1)c2ccco2 34a_100000755270_100000721315 [0,1,0,0,0,1|1,1,0]=4 2262 B16R2.2238 C[C@H](OCc1ccccn1)c2ccco2 7a_100000755270_100000721315 [0,1,0,0,0,1|1,1,0]=4 2263 B16R2.2238 C[C@H](OCc1cccnc1)c2ccco2 34a_100000755270_100000733263 [0,1,0,0,0,1|1,1,0]=4 2264 B16R2.2238 C[C@H](OCc1cccnc1)c2ccco2 7a_100000755270_100000741622 [0,1,0,0,0,1|1,1,0]=4 2265 B16R2.2238 C[C@H](OCc1cccnn1)c2ccco2 34a_100000755270_100016990269 [0,1,0,0,0,1|1,1,0]=4 2266 B16R2.2238 C[C@H](OCc1cccnn1)c2ccco2 7a_100000755270_100016990269 [0,1,0,0,0,1|1,1,0]=4 2267 B16R2.2238 C[C@H](OCc1ccncc1)c2ccco2 7a_100000755270_100015193705 [0,1,0,0,0,1|1,1,0]=4 2268 B16R2.2238 C[C@H](OCc1cnccn1)c2ccco2 34a_100000755270_100016995436 [0,1,0,0,0,1|1,1,0]=4 2269 B16R2.2238 C[C@H](OCc1cnccn1)c2ccco2 7a_100000755270_100016995436 [0,1,0,0,0,1|1,1,0]=4 2270 B16R2.2238 C[C@H](OCc1ncccn1)c2ccco2 34a_100000755270_100000703007 [0,1,0,0,0,1|1,1,0]=4 2271 B16R2.2238 C[C@H](OCc1ncccn1)c2ccco2 7a_100000755270_100000703007 [0,1,0,0,0,1|1,1,0]=4 2272 B16R2.2832 Brc1cc(on1)CSCc2ccccc2 62a_100000211182_100000709089 [0,1,0,0,0,1|2,0,0]=4 2273 B16R2.2832 Brc1cc(on1)CSCc2ccccc2 62a_100000709089_100015291786 [0,1,0,0,0,1|2,0,0]=4 2274 B16R2.2832 Brc1cc(on1)CSCc2ccccn2 62a_100000709089_100000721315 [0,1,0,0,0,1|2,0,0]=4 2275 B16R2.2832 Brc1cc(on1)CSCc2ccccn2 62a_100000721315_100000709089 [0,1,0,0,0,1|2,0,0]=4 2276 B16R2.2832 Brc1cc(on1)CSCc2cccnc2 62a_100000709089_100000741622 [0,1,0,0,0,1|2,0,0]=4 2277 B16R2.2832 Brc1cc(on1)CSCc2cccnc2 62a_100000741622_100000709089 [0,1,0,0,0,1|2,0,0]=4 2278 B16R2.2832 Brc1cc(on1)CSCc2cccnn2 62a_100000709089_100016990269 [0,1,0,0,0,1|2,0,0]=4 2279 B16R2.2832 Brc1cc(on1)CSCc2cccnn2 62a_100016990269_100000709089 [0,1,0,0,0,1|2,0,0]=4 2280 B16R2.2832 Brc1cc(on1)CSCc2ccncc2 62a_100000709089_100015193705 [0,1,0,0,0,1|2,0,0]=4 2281 B16R2.2832 Brc1cc(on1)CSCc2ccncc2 62a_100015193705_100000709089 [0,1,0,0,0,1|2,0,0]=4 2282 B16R2.2832 Brc1cc(on1)CSCc2cnccn2 62a_100000709089_100016995436 [0,1,0,0,0,1|2,0,0]=4 2283 B16R2.2832 Brc1cc(on1)CSCc2cnccn2 62a_100016995436_100000709089 [0,1,0,0,0,1|2,0,0]=4 2284 B16R2.2832 Brc1cc(on1)CSCc2ncccn2 62a_100000703007_100000709089 [0,1,0,0,0,1|2,0,0]=4 2285 B16R2.2832 Brc1cc(on1)CSCc2ncccn2 62a_100000709089_100000703007 [0,1,0,0,0,1|2,0,0]=4 2286 B16R2.2832 Brc1ccc(o1)CNCc2ccccc2 207a_100000708654_100015611070 [0,1,0,0,0,1|2,0,0]=4 2287 B16R2.2832 Brc1ccc(o1)CNCc2ccccc2 207a_100015324214_100000185145 [0,1,0,0,0,1|2,0,0]=4 2288 B16R2.2832 Brc1ccc(o1)CNCc2ccccc2 270004a_100000708654_100015611070 [0,1,0,0,0,1|2,0,0]=4 2289 B16R2.2832 Brc1ccc(o1)CNCc2ccccc2 270004a_100015324214_100000185145 [0,1,0,0,0,1|2,0,0]=4 2290 B16R2.2832 Brc1ccc(o1)CNCc2ccccc2 34a_100000708654_100015291786 [0,1,0,0,0,1|2,0,0]=4 2291 B16R2.2832 Brc1ccc(o1)CNCc2ccccn2 207a_100000708654_100000209966 [0,1,0,0,0,1|2,0,0]=4 2292 B16R2.2832 Brc1ccc(o1)CNCc2ccccn2 270004a_100000210449_100000185145 [0,1,0,0,0,1|2,0,0]=4 2293 B16R2.2832 Brc1ccc(o1)CNCc2ccccn2 270004a_100000708654_100000209966 [0,1,0,0,0,1|2,0,0]=4 2294 B16R2.2832 Brc1ccc(o1)CNCc2ccccn2 34a_100000708654_100000721315 [0,1,0,0,0,1|2,0,0]=4 2295 B16R2.2832 Brc1ccc(o1)CNCc2cccnc2 207a_100000210453_100000185145 [0,1,0,0,0,1|2,0,0]=4 2296 B16R2.2832 Brc1ccc(o1)CNCc2cccnc2 207a_100000708654_100000209961 [0,1,0,0,0,1|2,0,0]=4 2297 B16R2.2832 Brc1ccc(o1)CNCc2cccnc2 270004a_100000210453_100000185145 [0,1,0,0,0,1|2,0,0]=4 2298 B16R2.2832 Brc1ccc(o1)CNCc2cccnc2 270004a_100000708654_100000209961 [0,1,0,0,0,1|2,0,0]=4 2299 B16R2.2832 Brc1ccc(o1)CNCc2cccnc2 34a_100000708654_100000733263 [0,1,0,0,0,1|2,0,0]=4 2300 B16R2.2832 Brc1ccc(o1)CNCc2cccnn2 34a_100000708654_100016990269 [0,1,0,0,0,1|2,0,0]=4 2301 B16R2.2832 Brc1ccc(o1)CNCc2ccncc2 207a_100000708654_100000186114 [0,1,0,0,0,1|2,0,0]=4 2302 B16R2.2832 Brc1ccc(o1)CNCc2cnccn2 270004a_100000708654_100000749867 [0,1,0,0,0,1|2,0,0]=4 2303 B16R2.2832 Brc1ccc(o1)CNCc2cnccn2 34a_100000708654_100016995436 [0,1,0,0,0,1|2,0,0]=4 2304 B16R2.2832 Brc1ccc(o1)CNCc2ncccn2 270004a_100000708654_100011532527 [0,1,0,0,0,1|2,0,0]=4 2305 B16R2.2832 Brc1ccc(o1)CNCc2ncccn2 34a_100000708654_100000703007 [0,1,0,0,0,1|2,0,0]=4 2306 B16R2.2832 Brc1ccc(o1)COCc2ccccc2 34a_100000246276_100015291786 [0,1,0,0,0,1|1,1,0]=4 2307 B16R2.2832 Brc1ccc(o1)COCc2ccccc2 7a_100000246276_100000211182 [0,1,0,0,0,1|1,1,0]=4 2308 B16R2.2832 Brc1ccc(o1)COCc2ccccn2 34a_100000246276_100000721315 [0,1,0,0,0,1|1,1,0]=4 2309 B16R2.2832 Brc1ccc(o1)COCc2ccccn2 7a_100000246276_100000721315 [0,1,0,0,0,1|1,1,0]=4 2310 B16R2.2832 Brc1ccc(o1)COCc2cccnc2 34a_100000246276_100000733263 [0,1,0,0,0,1|1,1,0]=4 2311 B16R2.2832 Brc1ccc(o1)COCc2cccnc2 7a_100000246276_100000741622 [0,1,0,0,0,1|1,1,0]=4 2312 B16R2.2832 Brc1ccc(o1)COCc2cccnn2 34a_100000246276_100016990269 [0,1,0,0,0,1|1,1,0]=4 2313 B16R2.2832 Brc1ccc(o1)COCc2cccnn2 7a_100000246276_100016990269 [0,1,0,0,0,1|1,1,0]=4 2314 B16R2.2832 Brc1ccc(o1)COCc2ccncc2 7a_100000246276_100015193705 [0,1,0,0,0,1|1,1,0]=4 2315 B16R2.2832 Brc1ccc(o1)COCc2cnccn2 34a_100000246276_100016995436 [0,1,0,0,0,1|1,1,0]=4 2316 B16R2.2832 Brc1ccc(o1)COCc2cnccn2 7a_100000246276_100016995436 [0,1,0,0,0,1|1,1,0]=4 2317 B16R2.2832 Brc1ccc(o1)COCc2ncccn2 34a_100000246276_100000703007 [0,1,0,0,0,1|1,1,0]=4 2318 B16R2.2832 Brc1ccc(o1)COCc2ncccn2 7a_100000246276_100000703007 [0,1,0,0,0,1|1,1,0]=4 2319 B16R2.2832 Brc1ccc(s1)CSCc2ccccc2 62a_100000211182_100000708592 [0,1,0,0,0,1|1,1,0]=4 2320 B16R2.2832 Brc1ccc(s1)CSCc2ccccc2 62a_100000708592_100015291786 [0,1,0,0,0,1|1,1,0]=4 2321 B16R2.2832 Brc1ccc(s1)CSCc2ccccn2 62a_100000708592_100000721315 [0,1,0,0,0,1|1,1,0]=4 2322 B16R2.2832 Brc1ccc(s1)CSCc2ccccn2 62a_100000721315_100000708592 [0,1,0,0,0,1|1,1,0]=4 2323 B16R2.2832 Brc1ccc(s1)CSCc2cccnc2 62a_100000708592_100000741622 [0,1,0,0,0,1|1,1,0]=4 2324 B16R2.2832 Brc1ccc(s1)CSCc2cccnc2 62a_100000741622_100000708592 [0,1,0,0,0,1|1,1,0]=4 2325 B16R2.2832 Brc1ccc(s1)CSCc2cccnn2 62a_100000708592_100016990269 [0,1,0,0,0,1|1,1,0]=4 2326 B16R2.2832 Brc1ccc(s1)CSCc2cccnn2 62a_100016990269_100000708592 [0,1,0,0,0,1|1,1,0]=4 2327 B16R2.2832 Brc1ccc(s1)CSCc2ccncc2 62a_100000708592_100015193705 [0,1,0,0,0,1|1,1,0]=4 2328 B16R2.2832 Brc1ccc(s1)CSCc2ccncc2 62a_100015193705_100000708592 [0,1,0,0,0,1|1,1,0]=4 2329 B16R2.2832 Brc1ccc(s1)CSCc2cnccn2 62a_100000708592_100016995436 [0,1,0,0,0,1|1,1,0]=4 2330 B16R2.2832 Brc1ccc(s1)CSCc2cnccn2 62a_100016995436_100000708592 [0,1,0,0,0,1|1,1,0]=4 2331 B16R2.2832 Brc1ccc(s1)CSCc2ncccn2 62a_100000703007_100000708592 [0,1,0,0,0,1|1,1,0]=4 2332 B16R2.2832 Brc1ccc(s1)CSCc2ncccn2 62a_100000708592_100000703007 [0,1,0,0,0,1|1,1,0]=4 2333 B16R2.2832 Brc1coc(c1)CNCc2ccccc2 270004a_100015324214_100000747035 [0,1,0,0,0,1|2,0,0]=4 2334 B16R2.2832 Brc1coc(c1)CNCc2ccccn2 270004a_100000210449_100000747035 [0,1,0,0,0,1|2,0,0]=4 2335 B16R2.2832 Brc1coc(c1)CNCc2cccnc2 270004a_100000210453_100000747035 [0,1,0,0,0,1|2,0,0]=4 2336 B16R2.2832 Brc1csc(c1)CSCc2ccccc2 62a_100000211182_100000746031 [0,1,0,0,0,1|1,1,0]=4 2337 B16R2.2832 Brc1csc(c1)CSCc2ccccc2 62a_100000746031_100015291786 [0,1,0,0,0,1|1,1,0]=4 2338 B16R2.2832 Brc1csc(c1)CSCc2ccccn2 62a_100000721315_100000746031 [0,1,0,0,0,1|1,1,0]=4 2339 B16R2.2832 Brc1csc(c1)CSCc2ccccn2 62a_100000746031_100000721315 [0,1,0,0,0,1|1,1,0]=4 2340 B16R2.2832 Brc1csc(c1)CSCc2cccnc2 62a_100000741622_100000746031 [0,1,0,0,0,1|1,1,0]=4 2341 B16R2.2832 Brc1csc(c1)CSCc2cccnc2 62a_100000746031_100000741622 [0,1,0,0,0,1|1,1,0]=4 2342 B16R2.2832 Brc1csc(c1)CSCc2cccnn2 62a_100000746031_100016990269 [0,1,0,0,0,1|1,1,0]=4 2343 B16R2.2832 Brc1csc(c1)CSCc2cccnn2 62a_100016990269_100000746031 [0,1,0,0,0,1|1,1,0]=4 2344 B16R2.2832 Brc1csc(c1)CSCc2ccncc2 62a_100000746031_100015193705 [0,1,0,0,0,1|1,1,0]=4 2345 B16R2.2832 Brc1csc(c1)CSCc2ccncc2 62a_100015193705_100000746031 [0,1,0,0,0,1|1,1,0]=4 2346 B16R2.2832 Brc1csc(c1)CSCc2cnccn2 62a_100000746031_100016995436 [0,1,0,0,0,1|1,1,0]=4 2347 B16R2.2832 Brc1csc(c1)CSCc2cnccn2 62a_100016995436_100000746031 [0,1,0,0,0,1|1,1,0]=4 2348 B16R2.2832 Brc1csc(c1)CSCc2ncccn2 62a_100000703007_100000746031 [0,1,0,0,0,1|1,1,0]=4 2349 B16R2.2832 Brc1csc(c1)CSCc2ncccn2 62a_100000746031_100000703007 [0,1,0,0,0,1|1,1,0]=4 2350 B16R2.2832 Cc1cc(on1)CSCc2ccccc2 62a_100000211182_100000707947 [0,1,0,0,0,1|2,0,0]=4 2351 B16R2.2832 Cc1cc(on1)CSCc2ccccc2 62a_100000707947_100015291786 [0,1,0,0,0,1|2,0,0]=4 2352 B16R2.2832 Cc1cc(on1)CSCc2ccccn2 62a_100000707947_100000721315 [0,1,0,0,0,1|2,0,0]=4 2353 B16R2.2832 Cc1cc(on1)CSCc2ccccn2 62a_100000721315_100000707947 [0,1,0,0,0,1|2,0,0]=4 2354 B16R2.2832 Cc1cc(on1)CSCc2cccnc2 62a_100000707947_100000741622 [0,1,0,0,0,1|2,0,0]=4 2355 B16R2.2832 Cc1cc(on1)CSCc2cccnc2 62a_100000741622_100000707947 [0,1,0,0,0,1|2,0,0]=4 2356 B16R2.2832 Cc1cc(on1)CSCc2cccnn2 62a_100000707947_100016990269 [0,1,0,0,0,1|2,0,0]=4 2357 B16R2.2832 Cc1cc(on1)CSCc2cccnn2 62a_100016990269_100000707947 [0,1,0,0,0,1|2,0,0]=4 2358 B16R2.2832 Cc1cc(on1)CSCc2ccncc2 62a_100000707947_100015193705 [0,1,0,0,0,1|2,0,0]=4 2359 B16R2.2832 Cc1cc(on1)CSCc2ccncc2 62a_100015193705_100000707947 [0,1,0,0,0,1|2,0,0]=4 2360 B16R2.2832 Cc1cc(on1)CSCc2cnccn2 62a_100000707947_100016995436 [0,1,0,0,0,1|2,0,0]=4 2361 B16R2.2832 Cc1cc(on1)CSCc2cnccn2 62a_100016995436_100000707947 [0,1,0,0,0,1|2,0,0]=4 2362 B16R2.2832 Cc1cc(on1)CSCc2ncccn2 62a_100000703007_100000707947 [0,1,0,0,0,1|2,0,0]=4 2363 B16R2.2832 Cc1cc(on1)CSCc2ncccn2 62a_100000707947_100000703007 [0,1,0,0,0,1|2,0,0]=4 2364 B16R2.2832 Cc1ccc(o1)CNCc2ccccc2 207a_100011194323_100015611070 [0,1,0,0,0,1|2,0,0]=4 2365 B16R2.2832 Cc1ccc(o1)CNCc2ccccc2 207a_100015324214_100000183696 [0,1,0,0,0,1|2,0,0]=4 2366 B16R2.2832 Cc1ccc(o1)CNCc2ccccc2 270004a_100011194323_100015611070 [0,1,0,0,0,1|2,0,0]=4 2367 B16R2.2832 Cc1ccc(o1)CNCc2ccccc2 270004a_100015324214_100000183696 [0,1,0,0,0,1|2,0,0]=4 2368 B16R2.2832 Cc1ccc(o1)CNCc2ccccc2 34a_100011194323_100015291786 [0,1,0,0,0,1|2,0,0]=4 2369 B16R2.2832 Cc1ccc(o1)CNCc2ccccn2 207a_100011194323_100000209966 [0,1,0,0,0,1|2,0,0]=4 2370 B16R2.2832 Cc1ccc(o1)CNCc2ccccn2 270004a_100000210449_100000183696 [0,1,0,0,0,1|2,0,0]=4 2371 B16R2.2832 Cc1ccc(o1)CNCc2ccccn2 270004a_100011194323_100000209966 [0,1,0,0,0,1|2,0,0]=4 2372 B16R2.2832 Cc1ccc(o1)CNCc2ccccn2 34a_100011194323_100000721315 [0,1,0,0,0,1|2,0,0]=4 2373 B16R2.2832 Cc1ccc(o1)CNCc2cccnc2 207a_100000210453_100000183696 [0,1,0,0,0,1|2,0,0]=4 2374 B16R2.2832 Cc1ccc(o1)CNCc2cccnc2 207a_100011194323_100000209961 [0,1,0,0,0,1|2,0,0]=4 2375 B16R2.2832 Cc1ccc(o1)CNCc2cccnc2 270004a_100000210453_100000183696 [0,1,0,0,0,1|2,0,0]=4 2376 B16R2.2832 Cc1ccc(o1)CNCc2cccnc2 270004a_100011194323_100000209961 [0,1,0,0,0,1|2,0,0]=4 2377 B16R2.2832 Cc1ccc(o1)CNCc2cccnc2 34a_100011194323_100000733263 [0,1,0,0,0,1|2,0,0]=4 2378 B16R2.2832 Cc1ccc(o1)CNCc2cccnn2 34a_100011194323_100016990269 [0,1,0,0,0,1|2,0,0]=4 2379 B16R2.2832 Cc1ccc(o1)CNCc2ccncc2 207a_100011194323_100000186114 [0,1,0,0,0,1|2,0,0]=4 2380 B16R2.2832 Cc1ccc(o1)CNCc2cnccn2 270004a_100011194323_100000749867 [0,1,0,0,0,1|2,0,0]=4 2381 B16R2.2832 Cc1ccc(o1)CNCc2cnccn2 34a_100011194323_100016995436 [0,1,0,0,0,1|2,0,0]=4 2382 B16R2.2832 Cc1ccc(o1)CNCc2ncccn2 270004a_100011194323_100011532527 [0,1,0,0,0,1|2,0,0]=4 2383 B16R2.2832 Cc1ccc(o1)CNCc2ncccn2 34a_100011194323_100000703007 [0,1,0,0,0,1|2,0,0]=4 2384 B16R2.2832 Cc1ccc(o1)COCc2ccccc2 34a_100011232665_100015291786 [0,1,0,0,0,1|1,1,0]=4 2385 B16R2.2832 Cc1ccc(o1)COCc2ccccc2 7a_100011232665_100000211182 [0,1,0,0,0,1|1,1,0]=4 2386 B16R2.2832 Cc1ccc(o1)COCc2ccccn2 34a_100011232665_100000721315 [0,1,0,0,0,1|1,1,0]=4 2387 B16R2.2832 Cc1ccc(o1)COCc2ccccn2 7a_100011232665_100000721315 [0,1,0,0,0,1|1,1,0]=4 2388 B16R2.2832 Cc1ccc(o1)COCc2cccnc2 34a_100011232665_100000733263 [0,1,0,0,0,1|1,1,0]=4 2389 B16R2.2832 Cc1ccc(o1)COCc2cccnc2 7a_100011232665_100000741622 [0,1,0,0,0,1|1,1,0]=4 2390 B16R2.2832 Cc1ccc(o1)COCc2cccnn2 34a_100011232665_100016990269 [0,1,0,0,0,1|1,1,0]=4 2391 B16R2.2832 Cc1ccc(o1)COCc2cccnn2 7a_100011232665_100016990269 [0,1,0,0,0,1|1,1,0]=4 2392 B16R2.2832 Cc1ccc(o1)COCc2ccncc2 7a_100011232665_100015193705 [0,1,0,0,0,1|1,1,0]=4 2393 B16R2.2832 Cc1ccc(o1)COCc2cnccn2 34a_100011232665_100016995436 [0,1,0,0,0,1|1,1,0]=4 2394 B16R2.2832 Cc1ccc(o1)COCc2cnccn2 7a_100011232665_100016995436 [0,1,0,0,0,1|1,1,0]=4 2395 B16R2.2832 Cc1ccc(o1)COCc2ncccn2 34a_100011232665_100000703007 [0,1,0,0,0,1|1,1,0]=4 2396 B16R2.2832 Cc1ccc(o1)COCc2ncccn2 7a_100011232665_100000703007 [0,1,0,0,0,1|1,1,0]=4 2397 B16R2.2832 Clc1ccc(o1)CNCc2ccccc2 207a_100015324214_100000188459 [0,1,0,0,0,1|2,0,0]=4 2398 B16R2.2832 Clc1ccc(o1)CNCc2ccccc2 270004a_100015324214_100000188459 [0,1,0,0,0,1|2,0,0]=4 2399 B16R2.2832 Clc1ccc(o1)CNCc2ccccn2 270004a_100000210449_100000188459 [0,1,0,0,0,1|2,0,0]=4 2400 B16R2.2832 Clc1ccc(o1)CNCc2cccnc2 207a_100000210453_100000188459 [0,1,0,0,0,1|2,0,0]=4 2401 B16R2.2832 Clc1ccc(o1)CNCc2cccnc2 270004a_100000210453_100000188459 [0,1,0,0,0,1|2,0,0]=4 2402 B16R2.2832 Clc1ccc(s1)CSCc2ccccc2 62a_100000185097_100015291786 [0,1,0,0,0,1|1,1,0]=4 2403 B16R2.2832 Clc1ccc(s1)CSCc2ccccc2 62a_100000211182_100000185097 [0,1,0,0,0,1|1,1,0]=4 2404 B16R2.2832 Clc1ccc(s1)CSCc2ccccn2 62a_100000185097_100000721315 [0,1,0,0,0,1|1,1,0]=4 2405 B16R2.2832 Clc1ccc(s1)CSCc2ccccn2 62a_100000721315_100000185097 [0,1,0,0,0,1|1,1,0]=4 2406 B16R2.2832 Clc1ccc(s1)CSCc2cccnc2 62a_100000185097_100000741622 [0,1,0,0,0,1|1,1,0]=4 2407 B16R2.2832 Clc1ccc(s1)CSCc2cccnc2 62a_100000741622_100000185097 [0,1,0,0,0,1|1,1,0]=4 2408 B16R2.2832 Clc1ccc(s1)CSCc2cccnn2 62a_100000185097_100016990269 [0,1,0,0,0,1|1,1,0]=4 2409 B16R2.2832 Clc1ccc(s1)CSCc2cccnn2 62a_100016990269_100000185097 [0,1,0,0,0,1|1,1,0]=4 2410 B16R2.2832 Clc1ccc(s1)CSCc2ccncc2 62a_100000185097_100015193705 [0,1,0,0,0,1|1,1,0]=4 2411 B16R2.2832 Clc1ccc(s1)CSCc2ccncc2 62a_100015193705_100000185097 [0,1,0,0,0,1|1,1,0]=4 2412 B16R2.2832 Clc1ccc(s1)CSCc2cnccn2 62a_100000185097_100016995436 [0,1,0,0,0,1|1,1,0]=4 2413 B16R2.2832 Clc1ccc(s1)CSCc2cnccn2 62a_100016995436_100000185097 [0,1,0,0,0,1|1,1,0]=4 2414 B16R2.2832 Clc1ccc(s1)CSCc2ncccn2 62a_100000185097_100000703007 [0,1,0,0,0,1|1,1,0]=4 2415 B16R2.2832 Clc1ccc(s1)CSCc2ncccn2 62a_100000703007_100000185097 [0,1,0,0,0,1|1,1,0]=4 2416 B16R2.2832 Ic1ccc(o1)CNCc2ccccc2 207a_100015324214_100000186757 [0,1,0,0,0,1|2,0,0]=4 2417 B16R2.2832 Ic1ccc(o1)CNCc2cccnc2 207a_100000210453_100000186757 [0,1,0,0,0,1|2,0,0]=4 2418 B16R2.2959 Brc1ccccc1CNCc2ccco2 207a_100000185738_100000211189 [0,1,0,0,0,1|2,0,0]=4 2419 B16R2.2959 Brc1ccccc1CNCc2ccco2 207a_100000689332_100000186105 [0,1,0,0,0,1|2,0,0]=4 2420 B16R2.2959 Brc1ccccc1CNCc2ccco2 2230a_100000185738_100000184730 [0,1,0,0,0,1|2,0,0]=4 2421 B16R2.2959 Brc1ccccc1CNCc2ccco2 270004a_100000185738_100000211189 [0,1,0,0,0,1|2,0,0]=4 2422 B16R2.2959 Brc1ccccc1CNCc2ccco2 270004a_100000689332_100000186105 [0,1,0,0,0,1|2,0,0]=4 2423 B16R2.2959 Brc1ccccc1CNCc2ccco2 34a_100000185738_100000184730 [0,1,0,0,0,1|2,0,0]=4 2424 B16R2.2959 Brc1ccccc1COCc2ccco2 34a_100000210059_100000184730 [0,1,0,0,0,1|1,1,0]=4 2425 B16R2.2959 Brc1ccccc1CSCc2ncco2 62a_100000184730_103436540062 [0,1,0,0,0,1|2,0,0]=4 2426 B16R2.2959 Brc1ccccc1CSCc2ncco2 62a_103436540062_100000184730 [0,1,0,0,0,1|2,0,0]=4 2427 B16R2.2959 Brc1cccnc1CNCc2ccco2 207a_100000185738_100011934733 [0,1,0,0,0,1|2,0,0]=4 2428 B16R2.2959 Brc1cccnc1CNCc2ccco2 2230a_100000185738_100025702911 [0,1,0,0,0,1|2,0,0]=4 2429 B16R2.2959 Brc1cccnc1CNCc2ccco2 270004a_100000185738_100011934733 [0,1,0,0,0,1|2,0,0]=4 2430 B16R2.2959 Brc1cccnc1CNCc2ccco2 270004a_100020591323_100000186105 [0,1,0,0,0,1|2,0,0]=4 2431 B16R2.2959 Brc1cccnc1CNCc2ccco2 34a_100000185738_100025702911 [0,1,0,0,0,1|2,0,0]=4 2432 B16R2.2959 Brc1cccnc1COCc2ccco2 34a_100000210059_100025702911 [0,1,0,0,0,1|1,1,0]=4 2433 B16R2.2959 Brc1cccnc1CSCc2ncco2 62a_100025702911_103436540062 [0,1,0,0,0,1|2,0,0]=4 2434 B16R2.2959 Brc1cccnc1CSCc2ncco2 62a_103436540062_100025702911 [0,1,0,0,0,1|2,0,0]=4 2435 B16R2.2959 Brc1ccncc1CNCc2ccco2 270004a_100000185738_100009816821 [0,1,0,0,0,1|2,0,0]=4 2436 B16R2.2959 Brc1cnccc1CNCc2ccco2 207a_100020640021_100000186105 [0,1,0,0,0,1|2,0,0]=4 2437 B16R2.2959 Brc1cnccc1CNCc2ccco2 270004a_100000185738_100000755692 [0,1,0,0,0,1|2,0,0]=4 2438 B16R2.2959 Brc1cnccc1CNCc2ccco2 270004a_100020640021_100000186105 [0,1,0,0,0,1|2,0,0]=4 2439 B16R2.2959 Brc1ncccc1CNCc2ccco2 2230a_100000185738_100010140945 [0,1,0,0,0,1|2,0,0]=4 2440 B16R2.2959 Brc1ncccc1CNCc2ccco2 270004a_100009818023_100000186105 [0,1,0,0,0,1|2,0,0]=4 2441 B16R2.2959 Brc1ncccc1CNCc2ccco2 34a_100000185738_100010140945 [0,1,0,0,0,1|2,0,0]=4 2442 B16R2.2959 Brc1ncccc1COCc2ccco2 34a_100000210059_100010140945 [0,1,0,0,0,1|1,1,0]=4 2443 B16R2.2959 Brc1ncccc1CSCc2ncco2 62a_100010140945_103436540062 [0,1,0,0,0,1|2,0,0]=4 2444 B16R2.2959 Brc1ncccc1CSCc2ncco2 62a_103436540062_100010140945 [0,1,0,0,0,1|2,0,0]=4 2445 B16R2.2959 Cc1ccccc1CNCc2ccco2 207a_100000174972_100000186105 [0,1,0,0,0,1|2,0,0]=4 2446 B16R2.2959 Cc1ccccc1CNCc2ccco2 207a_100000185738_100000211143 [0,1,0,0,0,1|2,0,0]=4 2447 B16R2.2959 Cc1ccccc1CNCc2ccco2 2230a_100000185738_100000211839 [0,1,0,0,0,1|2,0,0]=4 2448 B16R2.2959 Cc1ccccc1CNCc2ccco2 270004a_100000174972_100000186105 [0,1,0,0,0,1|2,0,0]=4 2449 B16R2.2959 Cc1ccccc1CNCc2ccco2 270004a_100000185738_100000211143 [0,1,0,0,0,1|2,0,0]=4 2450 B16R2.2959 Cc1ccccc1CNCc2ccco2 34a_100000185738_100000211839 [0,1,0,0,0,1|2,0,0]=4 2451 B16R2.2959 Cc1ccccc1COCc2ccco2 34a_100000210059_100000211839 [0,1,0,0,0,1|1,1,0]=4 2452 B16R2.2959 Cc1ccccc1CSCc2ncco2 62a_100000211839_103436540062 [0,1,0,0,0,1|2,0,0]=4 2453 B16R2.2959 Cc1ccccc1CSCc2ncco2 62a_103436540062_100000211839 [0,1,0,0,0,1|2,0,0]=4 2454 B16R2.2959 Cc1cccnc1CNCc2ccco2 207a_100000185738_100000698913 [0,1,0,0,0,1|2,0,0]=4 2455 B16R2.2959 Cc1cccnc1CNCc2ccco2 2230a_100000185738_100000696600 [0,1,0,0,0,1|2,0,0]=4 2456 B16R2.2959 Cc1cccnc1CNCc2ccco2 270004a_100000185738_100000698913 [0,1,0,0,0,1|2,0,0]=4 2457 B16R2.2959 Cc1cccnc1CNCc2ccco2 34a_100000185738_100000696600 [0,1,0,0,0,1|2,0,0]=4 2458 B16R2.2959 Cc1cccnc1COCc2ccco2 34a_100000210059_100000696600 [0,1,0,0,0,1|1,1,0]=4 2459 B16R2.2959 Cc1cccnc1CSCc2ncco2 62a_100000696600_103436540062 [0,1,0,0,0,1|2,0,0]=4 2460 B16R2.2959 Cc1cccnc1CSCc2ncco2 62a_103436540062_100000696600 [0,1,0,0,0,1|2,0,0]=4 2461 B16R2.2959 Cc1ccncc1CNCc2ccco2 207a_100000185738_100000685662 [0,1,0,0,0,1|2,0,0]=4 2462 B16R2.2959 Cc1ccncc1CNCc2ccco2 207a_100011997553_100000186105 [0,1,0,0,0,1|2,0,0]=4 2463 B16R2.2959 Cc1ccncc1CNCc2ccco2 2230a_100000185738_100000690890 [0,1,0,0,0,1|2,0,0]=4 2464 B16R2.2959 Cc1ccncc1CNCc2ccco2 270004a_100000185738_100000685662 [0,1,0,0,0,1|2,0,0]=4 2465 B16R2.2959 Cc1ccncc1CNCc2ccco2 270004a_100011997553_100000186105 [0,1,0,0,0,1|2,0,0]=4 2466 B16R2.2959 Cc1ccncc1CNCc2ccco2 34a_100000185738_100000690890 [0,1,0,0,0,1|2,0,0]=4 2467 B16R2.2959 Cc1ccncc1COCc2ccco2 34a_100000210059_100000690890 [0,1,0,0,0,1|1,1,0]=4 2468 B16R2.2959 Cc1ccncc1CSCc2ncco2 62a_100000690890_103436540062 [0,1,0,0,0,1|2,0,0]=4 2469 B16R2.2959 Cc1ccncc1CSCc2ncco2 62a_103436540062_100000690890 [0,1,0,0,0,1|2,0,0]=4 2470 B16R2.2959 Cc1cnccc1CNCc2ccco2 207a_100000708811_100000186105 [0,1,0,0,0,1|2,0,0]=4 2471 B16R2.2959 Cc1cnccc1CNCc2ccco2 2230a_100000185738_100020672808 [0,1,0,0,0,1|2,0,0]=4 2472 B16R2.2959 Cc1cnccc1CNCc2ccco2 270004a_100000708811_100000186105 [0,1,0,0,0,1|2,0,0]=4 2473 B16R2.2959 Cc1cnccc1CNCc2ccco2 34a_100000185738_100020672809 [0,1,0,0,0,1|2,0,0]=4 2474 B16R2.2959 Cc1cnccc1COCc2ccco2 34a_100000210059_100020672809 [0,1,0,0,0,1|1,1,0]=4 2475 B16R2.2959 Cc1cnccc1CSCc2ncco2 62a_100020672808_103436540062 [0,1,0,0,0,1|2,0,0]=4 2476 B16R2.2959 Cc1cnccc1CSCc2ncco2 62a_103436540062_100020672808 [0,1,0,0,0,1|2,0,0]=4 2477 B16R2.2959 Cc1ncccc1CNCc2ccco2 207a_100000185738_100000751968 [0,1,0,0,0,1|2,0,0]=4 2478 B16R2.2959 Cc1ncccc1CNCc2ccco2 2230a_100000185738_100000732876 [0,1,0,0,0,1|2,0,0]=4 2479 B16R2.2959 Cc1ncccc1CNCc2ccco2 270004a_100000185738_100000751968 [0,1,0,0,0,1|2,0,0]=4 2480 B16R2.2959 Cc1ncccc1CNCc2ccco2 34a_100000185738_100000732876 [0,1,0,0,0,1|2,0,0]=4 2481 B16R2.2959 Cc1ncccc1COCc2ccco2 34a_100000210059_100000732876 [0,1,0,0,0,1|1,1,0]=4 2482 B16R2.2959 Cc1ncccc1CSCc2ncco2 62a_100000732876_103436540062 [0,1,0,0,0,1|2,0,0]=4 2483 B16R2.2959 Cc1ncccc1CSCc2ncco2 62a_103436540062_100000732876 [0,1,0,0,0,1|2,0,0]=4 2484 B16R2.2959 Cc1nccnc1CNCc2ccco2 270004a_100000185738_100000050726 [0,1,0,0,0,1|2,0,0]=4 2485 B16R2.2959 Cc1nccnc1CNCc2ccco2 270004a_100020641712_100000186105 [0,1,0,0,0,1|2,0,0]=4 2486 B16R2.2959 Clc1ccccc1CNCc2ccco2 207a_100000174879_100000186105 [0,1,0,0,0,1|2,0,0]=4 2487 B16R2.2959 Clc1ccccc1CNCc2ccco2 207a_100000185738_100000210073 [0,1,0,0,0,1|2,0,0]=4 2488 B16R2.2959 Clc1ccccc1CNCc2ccco2 2230a_100000185738_100000187162 [0,1,0,0,0,1|2,0,0]=4 2489 B16R2.2959 Clc1ccccc1CNCc2ccco2 270004a_100000174879_100000186105 [0,1,0,0,0,1|2,0,0]=4 2490 B16R2.2959 Clc1ccccc1CNCc2ccco2 270004a_100000185738_100000210073 [0,1,0,0,0,1|2,0,0]=4 2491 B16R2.2959 Clc1ccccc1CNCc2ccco2 34a_100000185738_100000187162 [0,1,0,0,0,1|2,0,0]=4 2492 B16R2.2959 Clc1ccccc1COCc2ccco2 34a_100000210059_100000187162 [0,1,0,0,0,1|1,1,0]=4 2493 B16R2.2959 Clc1ccccc1CSCc2ncco2 62a_100000187162_103436540062 [0,1,0,0,0,1|2,0,0]=4 2494 B16R2.2959 Clc1ccccc1CSCc2ncco2 62a_103436540062_100000187162 [0,1,0,0,0,1|2,0,0]=4 2495 B16R2.2959 Clc1cccnc1CNCc2ccco2 207a_100000185738_100012001307 [0,1,0,0,0,1|2,0,0]=4 2496 B16R2.2959 Clc1cccnc1CNCc2ccco2 2230a_100000185738_100000099807 [0,1,0,0,0,1|2,0,0]=4 2497 B16R2.2959 Clc1cccnc1CNCc2ccco2 270004a_100000185738_100012001307 [0,1,0,0,0,1|2,0,0]=4 2498 B16R2.2959 Clc1cccnc1CNCc2ccco2 270004a_100015189233_100000186105 [0,1,0,0,0,1|2,0,0]=4 2499 B16R2.2959 Clc1cccnc1CSCc2ncco2 62a_100000099807_103436540062 [0,1,0,0,0,1|2,0,0]=4 2500 B16R2.2959 Clc1cccnc1CSCc2ncco2 62a_103436540062_100000099807 [0,1,0,0,0,1|2,0,0]=4 2501 B16R2.2959 Clc1ccncc1CNCc2ccco2 270004a_100000185738_100000050567 [0,1,0,0,0,1|2,0,0]=4 2502 B16R2.2959 Clc1cnccc1CNCc2ccco2 207a_100000185738_100011934409 [0,1,0,0,0,1|2,0,0]=4 2503 B16R2.2959 Clc1cnccc1CNCc2ccco2 2230a_100000185738_100000763264 [0,1,0,0,0,1|2,0,0]=4 2504 B16R2.2959 Clc1cnccc1CNCc2ccco2 270004a_100000185738_100011934409 [0,1,0,0,0,1|2,0,0]=4 2505 B16R2.2959 Clc1cnccc1CSCc2ncco2 62a_100000763264_103436540062 [0,1,0,0,0,1|2,0,0]=4 2506 B16R2.2959 Clc1cnccc1CSCc2ncco2 62a_103436540062_100000763264 [0,1,0,0,0,1|2,0,0]=4 2507 B16R2.2959 Clc1ncccc1CNCc2ccco2 207a_100015189234_100000186105 [0,1,0,0,0,1|2,0,0]=4 2508 B16R2.2959 Clc1ncccc1CNCc2ccco2 2230a_100000185738_100000045678 [0,1,0,0,0,1|2,0,0]=4 2509 B16R2.2959 Clc1ncccc1CNCc2ccco2 34a_100000185738_100000045678 [0,1,0,0,0,1|2,0,0]=4 2510 B16R2.2959 Clc1ncccc1COCc2ccco2 34a_100000210059_100000045678 [0,1,0,0,0,1|1,1,0]=4 2511 B16R2.2959 Clc1ncccc1CSCc2ncco2 62a_100000045678_103436540062 [0,1,0,0,0,1|2,0,0]=4 2512 B16R2.2959 Clc1ncccc1CSCc2ncco2 62a_103436540062_100000045678 [0,1,0,0,0,1|2,0,0]=4 2513 B16R2.2959 Fc1ccccc1CNCc2ccco2 207a_100000174869_100000186105 [0,1,0,0,0,1|2,0,0]=4 2514 B16R2.2959 Fc1ccccc1CNCc2ccco2 207a_100000185738_100000210811 [0,1,0,0,0,1|2,0,0]=4 2515 B16R2.2959 Fc1ccccc1CNCc2ccco2 2230a_100000185738_100000211605 [0,1,0,0,0,1|2,0,0]=4 2516 B16R2.2959 Fc1ccccc1CNCc2ccco2 270004a_100000174869_100000186105 [0,1,0,0,0,1|2,0,0]=4 2517 B16R2.2959 Fc1ccccc1CNCc2ccco2 270004a_100000185738_100000210811 [0,1,0,0,0,1|2,0,0]=4 2518 B16R2.2959 Fc1ccccc1CNCc2ccco2 34a_100000185738_100000211605 [0,1,0,0,0,1|2,0,0]=4 2519 B16R2.2959 Fc1ccccc1COCc2ccco2 34a_100000210059_100000211605 [0,1,0,0,0,1|1,1,0]=4 2520 B16R2.2959 Fc1ccccc1CSCc2ncco2 62a_100000211605_103436540062 [0,1,0,0,0,1|2,0,0]=4 2521 B16R2.2959 Fc1ccccc1CSCc2ncco2 62a_103436540062_100000211605 [0,1,0,0,0,1|2,0,0]=4 2522 B16R2.2959 Fc1cccnc1CNCc2ccco2 207a_100000185738_100011934734 [0,1,0,0,0,1|2,0,0]=4 2523 B16R2.2959 Fc1cccnc1CNCc2ccco2 2230a_100000185738_100000104219 [0,1,0,0,0,1|2,0,0]=4 2524 B16R2.2959 Fc1cccnc1CNCc2ccco2 270004a_100000185738_100011934734 [0,1,0,0,0,1|2,0,0]=4 2525 B16R2.2959 Fc1cccnc1CNCc2ccco2 270004a_100000690088_100000186105 [0,1,0,0,0,1|2,0,0]=4 2526 B16R2.2959 Fc1cccnc1CNCc2ccco2 34a_100000185738_100000104219 [0,1,0,0,0,1|2,0,0]=4 2527 B16R2.2959 Fc1cccnc1COCc2ccco2 34a_100000210059_100000104219 [0,1,0,0,0,1|1,1,0]=4 2528 B16R2.2959 Fc1cccnc1CSCc2ncco2 62a_100000104219_103436540062 [0,1,0,0,0,1|2,0,0]=4 2529 B16R2.2959 Fc1cccnc1CSCc2ncco2 62a_103436540062_100000104219 [0,1,0,0,0,1|2,0,0]=4 2530 B16R2.2959 Fc1cnccc1CNCc2ccco2 207a_100011935246_100000186105 [0,1,0,0,0,1|2,0,0]=4 2531 B16R2.2959 Fc1cnccc1CNCc2ccco2 270004a_100011935246_100000186105 [0,1,0,0,0,1|2,0,0]=4 2532 B16R2.2959 Fc1ncccc1CNCc2ccco2 2230a_100000185738_100000099810 [0,1,0,0,0,1|2,0,0]=4 2533 B16R2.2959 Fc1ncccc1CNCc2ccco2 270004a_100000724633_100000186105 [0,1,0,0,0,1|2,0,0]=4 2534 B16R2.2959 Fc1ncccc1CNCc2ccco2 34a_100000185738_100000099810 [0,1,0,0,0,1|2,0,0]=4 2535 B16R2.2959 Fc1ncccc1COCc2ccco2 34a_100000210059_100000099810 [0,1,0,0,0,1|1,1,0]=4 2536 B16R2.2959 Fc1ncccc1CSCc2ncco2 62a_100000099810_103436540062 [0,1,0,0,0,1|2,0,0]=4 2537 B16R2.2959 Fc1ncccc1CSCc2ncco2 62a_103436540062_100000099810 [0,1,0,0,0,1|2,0,0]=4 2538 B16R2.2959 Ic1ccccc1CNCc2ccco2 207a_100000185738_100000010305 [0,1,0,0,0,1|2,0,0]=4 2539 B16R2.2959 Ic1ccccc1CNCc2ccco2 207a_100015347259_100000186105 [0,1,0,0,0,1|2,0,0]=4 2540 B16R2.2959 Ic1ccccc1CNCc2ccco2 2230a_100000185738_100011215278 [0,1,0,0,0,1|2,0,0]=4 2541 B16R2.2959 Ic1ccccc1CNCc2ccco2 270004a_100000185738_100000010305 [0,1,0,0,0,1|2,0,0]=4 2542 B16R2.2959 Ic1ccccc1CNCc2ccco2 270004a_100015347259_100000186105 [0,1,0,0,0,1|2,0,0]=4 2543 B16R2.2959 Ic1ccccc1CNCc2ccco2 34a_100000185738_100011215278 [0,1,0,0,0,1|2,0,0]=4 2544 B16R2.2959 Ic1ccccc1COCc2ccco2 34a_100000210059_100011215278 [0,1,0,0,0,1|1,1,0]=4 2545 B16R2.2959 Ic1ccccc1CSCc2ncco2 62a_100011216222_103436540062 [0,1,0,0,0,1|2,0,0]=4 2546 B16R2.2959 Ic1ccccc1CSCc2ncco2 62a_103436540062_100011216222 [0,1,0,0,0,1|2,0,0]=4 2547 B16R2.2959 Oc1ccccc1CNCc2ccco2 207a_100000185550_100000186105 [0,1,0,0,0,1|2,0,0]=4 2548 B16R2.2959 Oc1ccccc1CNCc2ccco2 270004a_100000185550_100000186105 [0,1,0,0,0,1|2,0,0]=4 2549 B16R2.2959 Oc1cccnc1CNCc2ccco2 34a_100000185738_200020655725 [0,1,0,0,0,1|2,0,0]=4 2550 B16R2.2959 Oc1cccnc1COCc2ccco2 34a_100000210059_200020655725 [0,1,0,0,0,1|1,1,0]=4 2551 B16R2.2959 Oc1cccnc1CSCc2ncco2 62a_103436540062_200020655725 [0,1,0,0,0,1|2,0,0]=4 2552 B16R2.2959 Oc1cccnc1CSCc2ncco2 62a_200020655725_103436540062 [0,1,0,0,0,1|2,0,0]=4 2553 B16R2.2959 Oc1ncccc1CNCc2ccco2 207a_100000185738_100011998315 [0,1,0,0,0,1|2,0,0]=4 2554 B16R2.2959 Oc1ncccc1CNCc2ccco2 270004a_100000185738_100011998315 [0,1,0,0,0,1|2,0,0]=4 2555 B16R2.3250 Brc1ccoc1CNCc2ccccc2 270004a_100015324214_100000756499 [0,1,0,0,0,1|2,0,0]=4 2556 B16R2.3250 Brc1ccoc1CNCc2ccccn2 270004a_100000210449_100000756499 [0,1,0,0,0,1|2,0,0]=4 2557 B16R2.3250 Brc1ccoc1CNCc2cccnc2 270004a_100000210453_100000756499 [0,1,0,0,0,1|2,0,0]=4 2558 B16R2.3250 Cc1ccoc1CNCc2ccccc2 207a_100015324214_100000763527 [0,1,0,0,0,1|2,0,0]=4 2559 B16R2.3250 Cc1ccoc1CNCc2ccccc2 270004a_100015324214_100000763527 [0,1,0,0,0,1|2,0,0]=4 2560 B16R2.3250 Cc1ccoc1CNCc2ccccn2 270004a_100000210449_100000763527 [0,1,0,0,0,1|2,0,0]=4 2561 B16R2.3250 Cc1ccoc1CNCc2cccnc2 207a_100000210453_100000763527 [0,1,0,0,0,1|2,0,0]=4 2562 B16R2.3250 Cc1ccoc1CNCc2cccnc2 270004a_100000210453_100000763527 [0,1,0,0,0,1|2,0,0]=4 2563 B16R2.3250 Cc1ccoc1COCc2ccccc2 34a_100011273948_100015291786 [0,1,0,0,0,1|1,1,0]=4 2564 B16R2.3250 Cc1ccoc1COCc2ccccc2 7a_100011273948_100000211182 [0,1,0,0,0,1|1,1,0]=4 2565 B16R2.3250 Cc1ccoc1COCc2ccccn2 34a_100011273948_100000721315 [0,1,0,0,0,1|1,1,0]=4 2566 B16R2.3250 Cc1ccoc1COCc2ccccn2 7a_100011273948_100000721315 [0,1,0,0,0,1|1,1,0]=4 2567 B16R2.3250 Cc1ccoc1COCc2cccnc2 34a_100011273948_100000733263 [0,1,0,0,0,1|1,1,0]=4 2568 B16R2.3250 Cc1ccoc1COCc2cccnc2 7a_100011273948_100000741622 [0,1,0,0,0,1|1,1,0]=4 2569 B16R2.3250 Cc1ccoc1COCc2cccnn2 34a_100011273948_100016990269 [0,1,0,0,0,1|1,1,0]=4 2570 B16R2.3250 Cc1ccoc1COCc2cccnn2 7a_100011273948_100016990269 [0,1,0,0,0,1|1,1,0]=4 2571 B16R2.3250 Cc1ccoc1COCc2ccncc2 7a_100011273948_100015193705 [0,1,0,0,0,1|1,1,0]=4 2572 B16R2.3250 Cc1ccoc1COCc2cnccn2 34a_100011273948_100016995436 [0,1,0,0,0,1|1,1,0]=4 2573 B16R2.3250 Cc1ccoc1COCc2cnccn2 7a_100011273948_100016995436 [0,1,0,0,0,1|1,1,0]=4 2574 B16R2.3250 Cc1ccoc1COCc2ncccn2 34a_100011273948_100000703007 [0,1,0,0,0,1|1,1,0]=4 2575 B16R2.3250 Cc1ccoc1COCc2ncccn2 7a_100011273948_100000703007 [0,1,0,0,0,1|1,1,0]=4 2576 B16R2.5767 CC(NCc1ccco1)c2ccccc2 2230a_100000185738_100000230085 [0,1,0,0,0,1|2,0,0]=4 2577 B16R2.5767 CC(NCc1ccco1)c2ccccc2 34a_100000185738_100000211855 [0,1,0,0,0,1|2,0,0]=4 2578 B16R2.5767 CC(NCc1ccco1)c2ccccn2 207a_100000181244_100000186105 [0,1,0,0,0,1|2,0,0]=4 2579 B16R2.5767 CC(NCc1ccco1)c2ccccn2 270004a_100000181244_100000186105 [0,1,0,0,0,1|2,0,0]=4 2580 B16R2.5767 CC(NCc1ccco1)c2cccnc2 207a_100000195435_100000186105 [0,1,0,0,0,1|2,0,0]=4 2581 B16R2.5767 CC(NCc1ccco1)c2cccnc2 270004a_100000195435_100000186105 [0,1,0,0,0,1|2,0,0]=4 2582 B16R2.5767 CC(NCc1ccco1)c2ccncc2 207a_100000181269_100000186105 [0,1,0,0,0,1|2,0,0]=4 2583 B16R2.5767 CC(NCc1ccco1)c2ccncc2 270004a_100000181269_100000186105 [0,1,0,0,0,1|2,0,0]=4 2584 B16R2.5767 CC(NCc1ccco1)c2cnccn2 2230a_100000185738_200000703233 [0,1,0,0,0,1|2,0,0]=4 2585 B16R2.5767 CC(NCc1ccco1)c2ncccn2 270004a_100000185738_100011350828 [0,1,0,0,0,1|2,0,0]=4 2586 B16R2.5767 CC(NCc1ccco1)c2ncccn2 270004a_100020641698_100000186105 [0,1,0,0,0,1|2,0,0]=4 2587 B16R2.5767 CC(OCc1ccco1)c2ccccc2 34a_100000210059_100000211855 [0,1,0,0,0,1|1,1,0]=4 2588 B16R2.5767 CC(SCc1ncco1)c2ccccc2 62a_100000230085_103436540062 [0,1,0,0,0,1|2,0,0]=4 2589 B16R2.5767 CC(SCc1ncco1)c2ccccc2 62a_103436540062_100000230085 [0,1,0,0,0,1|2,0,0]=4 2590 B16R2.5767 CC(SCc1ncco1)c2cnccn2 62a_103436540062_200000703233 [0,1,0,0,0,1|2,0,0]=4 2591 B16R2.5767 CC(SCc1ncco1)c2cnccn2 62a_200000703233_103436540062 [0,1,0,0,0,1|2,0,0]=4 2592 B16R2.5767 C[C@@H](NCc1ccco1)c2ccccc2 207a_100000751104_100000186105 [0,1,0,0,0,1|2,0,0]=4 2593 B16R2.5767 C[C@@H](NCc1ccco1)c2ccccc2 270004a_100000751104_100000186105 [0,1,0,0,0,1|2,0,0]=4 2594 B16R2.5767 C[C@@H](NCc1ccco1)c2cnccn2 207a_100020589798_100000186105 [0,1,0,0,0,1|2,0,0]=4 2595 B16R2.5767 C[C@@H](NCc1ccco1)c2cnccn2 270004a_100020589798_100000186105 [0,1,0,0,0,1|2,0,0]=4 2596 B16R2.2338 CCc1cc(on1)CNCc2ccco2 207a_100000185738_100000118199 [0,2,0,0,0,0|2,0,0]=4 2597 B16R2.2338 CCc1cc(on1)CNCc2ccco2 2230a_100000185738_100012000519 [0,2,0,0,0,0|2,0,0]=4 2598 B16R2.2338 CCc1cc(on1)CNCc2ccco2 270004a_100000185738_100000118199 [0,2,0,0,0,0|2,0,0]=4 2599 B16R2.2338 CCc1cc(on1)CNCc2ccco2 34a_100000185738_100012000519 [0,2,0,0,0,0|2,0,0]=4 2600 B16R2.2338 CCc1cc(on1)COCc2ccco2 34a_100000210059_100012000519 [0,2,0,0,0,0|1,1,0]=4 2601 B16R2.2338 CCc1cc(on1)CSCc2ncco2 62a_100012000519_103436540062 [0,2,0,0,0,0|2,0,0]=4 2602 B16R2.2338 CCc1cc(on1)CSCc2ncco2 62a_103436540062_100012000519 [0,2,0,0,0,0|2,0,0]=4 2603 B16R2.2338 CCc1ccc(o1)CNCc2ccco2 207a_100000185738_100000743199 [0,2,0,0,0,0|1,0,0]=3 2604 B16R2.2338 CCc1ccc(o1)CNCc2ccco2 270004a_100000185738_100000743199 [0,2,0,0,0,0|1,0,0]=3 2605 B16R2.2338 CCc1ccc(o1)CNCc2cccs2 207a_100000211653_100000743199 [0,2,0,0,0,0|1,1,0]=4 2606 B16R2.2338 CCc1ccc(o1)CNCc2cccs2 270004a_100000211653_100000743199 [0,2,0,0,0,0|1,1,0]=4 2607 B16R2.2338 CCc1ccc(o1)CNCc2cnco2 207a_100020634212_100000743199 [0,2,0,0,0,0|2,0,0]=4 2608 B16R2.2338 CCc1ccc(o1)CNCc2cnco2 270004a_100020634212_100000743199 [0,2,0,0,0,0|2,0,0]=4 2609 B16R2.2338 CCc1ccc(o1)CNCc2ncco2 207a_100016994969_100000743199 [0,2,0,0,0,0|2,0,0]=4 2610 B16R2.2338 CCc1ccc(s1)CNCc2ccco2 207a_100000185738_100000746206 [0,2,0,0,0,0|1,1,0]=4 2611 B16R2.2338 CCc1ccc(s1)CNCc2ccco2 270004a_100000185738_100000746206 [0,2,0,0,0,0|1,1,0]=4 2612 B16R2.2338 CSc1ccc(s1)CNCc2ccco2 207a_100000185738_100000720245 [0,2,0,0,0,0|1,1,0]=4 2613 B16R2.2338 CSc1ccc(s1)CNCc2ccco2 270004a_100000185738_100000720245 [0,2,0,0,0,0|1,1,0]=4 2614 B16R2.2338 N#Cc1ccc(o1)CNCc2ccco2 2230a_100000185738_100009822536 [0,2,0,0,0,0|1,0,0]=3 2615 B16R2.2338 N#Cc1ccc(o1)CNCc2ccco2 34a_100000185738_100009822536 [0,2,0,0,0,0|1,0,0]=3 2616 B16R2.2338 N#Cc1ccc(o1)CNCc2cccs2 2230a_100000211653_100009822536 [0,2,0,0,0,0|1,1,0]=4 2617 B16R2.2338 N#Cc1ccc(o1)CNCc2ncco2 2230a_100016994969_100009822536 [0,2,0,0,0,0|2,0,0]=4 2618 B16R2.2338 N#Cc1ccc(o1)COCc2ccco2 34a_100000210059_100009822536 [0,2,0,0,0,0|0,1,0]=3 2619 B16R2.2338 N#Cc1ccc(o1)COCc2cccs2 34a_100000211240_100009822536 [0,2,0,0,0,0|0,2,0]=4 2620 B16R2.2338 N#Cc1ccc(o1)COCc2ccno2 34a_100000740478_100009822536 [0,2,0,0,0,0|1,1,0]=4 2621 B16R2.2338 N#Cc1ccc(o1)COCc2ncco2 34a_100000062594_100009822536 [0,2,0,0,0,0|1,1,0]=4 2622 B16R2.2338 N#Cc1ccc(o1)CSCc2c[nH]cn2 62a_100000707719_100009822536 [0,2,0,0,0,0|2,0,0]=4 2623 B16R2.2338 N#Cc1ccc(o1)CSCc2ccn[nH]2 62a_100000728653_100009822536 [0,2,0,0,0,0|2,0,0]=4 2624 B16R2.2338 N#Cc1ccc(o1)CSCc2ccon2 62a_100000234950_100009822536 [0,2,0,0,0,0|2,0,0]=4 2625 B16R2.2338 N#Cc1ccc(o1)CSCc2ccsc2 62a_100011261437_100009822536 [0,2,0,0,0,0|2,0,0]=4 2626 B16R2.2338 N#Cc1ccc(o1)CSCc2cncs2 62a_100015185245_100009822536 [0,2,0,0,0,0|1,1,0]=4 2627 B16R2.2338 N#Cc1ccc(o1)CSCc2cscn2 62a_100000205941_100009822536 [0,2,0,0,0,0|2,0,0]=4 2628 B16R2.2338 N#Cc1ccc(o1)CSCc2ncc[nH]2 62a_100016991755_100009822536 [0,2,0,0,0,0|2,0,0]=4 2629 B16R2.2338 N#Cc1ccc(o1)CSCc2ncco2 62a_103436540062_100009822536 [0,2,0,0,0,0|1,0,0]=3 2630 B16R2.2338 N#Cc1ccc(o1)CSCc2nccs2 62a_100015184050_100009822536 [0,2,0,0,0,0|1,1,0]=4 2631 B16R2.2338 N#Cc1ccc(s1)CNCc2ccco2 207a_100000185738_100000091605 [0,2,0,0,0,0|1,1,0]=4 2632 B16R2.2338 N#Cc1ccc(s1)CNCc2ccco2 207a_100015200141_100000186105 [0,2,0,0,0,0|1,1,0]=4 2633 B16R2.2338 N#Cc1ccc(s1)CNCc2ccco2 2230a_100000185738_100010188212 [0,2,0,0,0,0|1,1,0]=4 2634 B16R2.2338 N#Cc1ccc(s1)CNCc2ccco2 270004a_100015200141_100000186105 [0,2,0,0,0,0|1,1,0]=4 2635 B16R2.2338 N#Cc1ccc(s1)CNCc2ccco2 34a_100000185738_100010188212 [0,2,0,0,0,0|1,1,0]=4 2636 B16R2.2338 N#Cc1ccc(s1)COCc2ccco2 34a_100000210059_100010188212 [0,2,0,0,0,0|0,2,0]=4 2637 B16R2.2338 N#Cc1ccc(s1)CSCc2ncco2 62a_103436540062_100010188212 [0,2,0,0,0,0|1,1,0]=4 2638 B16R2.2338 O=Cc1ccc(o1)CNCc2ccco2 2230a_100000185738_200000079136 [0,2,0,0,0,0|1,0,0]=3 2639 B16R2.2338 O=Cc1ccc(o1)CNCc2ccco2 34a_100000185738_200000079136 [0,2,0,0,0,0|1,0,0]=3 2640 B16R2.2338 O=Cc1ccc(o1)CNCc2cccs2 2230a_100000211653_200000079136 [0,2,0,0,0,0|1,1,0]=4 2641 B16R2.2338 O=Cc1ccc(o1)CNCc2ncco2 2230a_100016994969_200000079136 [0,2,0,0,0,0|2,0,0]=4 2642 B16R2.2338 O=Cc1ccc(o1)COCc2ccco2 34a_100000210059_200000079136 [0,2,0,0,0,0|0,1,0]=3 2643 B16R2.2338 O=Cc1ccc(o1)COCc2cccs2 34a_100000211240_200000079136 [0,2,0,0,0,0|0,2,0]=4 2644 B16R2.2338 O=Cc1ccc(o1)COCc2ccno2 34a_100000740478_200000079136 [0,2,0,0,0,0|1,1,0]=4 2645 B16R2.2338 O=Cc1ccc(o1)COCc2ncco2 34a_100000062594_200000079136 [0,2,0,0,0,0|1,1,0]=4 2646 B16R2.2338 O=Cc1ccc(o1)CSCc2c[nH]cn2 62a_100000707719_200000079136 [0,2,0,0,0,0|2,0,0]=4 2647 B16R2.2338 O=Cc1ccc(o1)CSCc2ccn[nH]2 62a_100000728653_200000079136 [0,2,0,0,0,0|2,0,0]=4 2648 B16R2.2338 O=Cc1ccc(o1)CSCc2ccon2 62a_100000234950_200000079136 [0,2,0,0,0,0|2,0,0]=4 2649 B16R2.2338 O=Cc1ccc(o1)CSCc2ccsc2 62a_100011261437_200000079136 [0,2,0,0,0,0|2,0,0]=4 2650 B16R2.2338 O=Cc1ccc(o1)CSCc2cncs2 62a_100015185245_200000079136 [0,2,0,0,0,0|1,1,0]=4 2651 B16R2.2338 O=Cc1ccc(o1)CSCc2cscn2 62a_100000205941_200000079136 [0,2,0,0,0,0|2,0,0]=4 2652 B16R2.2338 O=Cc1ccc(o1)CSCc2ncc[nH]2 62a_100016991755_200000079136 [0,2,0,0,0,0|2,0,0]=4 2653 B16R2.2338 O=Cc1ccc(o1)CSCc2ncco2 62a_103436540062_200000079136 [0,2,0,0,0,0|1,0,0]=3 2654 B16R2.2338 O=Cc1ccc(o1)CSCc2nccs2 62a_100015184050_200000079136 [0,2,0,0,0,0|1,1,0]=4 2655 B16R2.2338 OCc1ccc(o1)CNCc2ccco2 207a_100000185738_100000758743 [0,2,0,0,0,0|1,0,0]=3 2656 B16R2.2338 OCc1ccc(o1)CNCc2ccco2 270004a_100000185738_100000758743 [0,2,0,0,0,0|1,0,0]=3 2657 B16R2.2338 OCc1ccc(o1)CNCc2cccs2 207a_100000211653_100000758743 [0,2,0,0,0,0|1,1,0]=4 2658 B16R2.2338 OCc1ccc(o1)CNCc2cccs2 270004a_100000211653_100000758743 [0,2,0,0,0,0|1,1,0]=4 2659 B16R2.2338 OCc1ccc(o1)CNCc2cnco2 207a_100020634212_100000758743 [0,2,0,0,0,0|2,0,0]=4 2660 B16R2.2338 OCc1ccc(o1)CNCc2cnco2 270004a_100020634212_100000758743 [0,2,0,0,0,0|2,0,0]=4 2661 B16R2.2338 OCc1ccc(o1)CNCc2ncco2 207a_100016994969_100000758743 [0,2,0,0,0,0|2,0,0]=4 2662 B16R2.2831 Brc1c[nH]c(c1)CNCc2ccc(o2)Br 270004a_100000708654_100000720742 [0,2,0,0,0,0|2,0,0]=4 2663 B16R2.2831 Brc1cc(on1)CNCc2ccc(o2)Br 207a_100015193020_100000185145 [0,2,0,0,0,0|2,0,0]=4 2664 B16R2.2831 Brc1cc(on1)CNCc2ccc(o2)Br 270004a_100000708654_100009819588 [0,2,0,0,0,0|2,0,0]=4 2665 B16R2.2831 Brc1cc(on1)CNCc2ccc(o2)I 207a_100015193020_100000186757 [0,2,0,0,0,0|2,0,0]=4 2666 B16R2.2831 Brc1cc(on1)COCc2ccc(o2)Br 7a_100000246276_100000709089 [0,2,0,0,0,0|1,1,0]=4 2667 B16R2.2831 Brc1cc(on1)CSCc2cc(no2)Br 62a_100000709089_100000709089 [0,2,0,0,0,0|2,0,0]=4 2668 B16R2.2831 Brc1cc(on1)CSCc2ccc(s2)Br 62a_100000708592_100000709089 [0,2,0,0,0,0|1,1,0]=4 2669 B16R2.2831 Brc1cc(on1)CSCc2ccc(s2)Br 62a_100000709089_100000708592 [0,2,0,0,0,0|1,1,0]=4 2670 B16R2.2831 Brc1ccc(o1)CNCc2cc(cs2)I 207a_100000708654_100010179861 [0,2,0,0,0,0|1,1,0]=4 2671 B16R2.2831 Brc1ccc(o1)CNCc2ccc(o2)Br 207a_100000708654_100000185145 [0,2,0,0,0,0|1,0,0]=3 2672 B16R2.2831 Brc1ccc(o1)CNCc2ccc(o2)Br 270004a_100000708654_100000185145 [0,2,0,0,0,0|1,0,0]=3 2673 B16R2.2831 Brc1ccc(o1)CNCc2ccc(o2)I 207a_100000708654_100000186757 [0,2,0,0,0,0|1,0,0]=3 2674 B16R2.2831 Brc1ccc(o1)CNCc2ccc(s2)Br 207a_100000708654_100000179771 [0,2,0,0,0,0|1,1,0]=4 2675 B16R2.2831 Brc1ccc(o1)CNCc2ccc(s2)Br 207a_100000737305_100000185145 [0,2,0,0,0,0|1,1,0]=4 2676 B16R2.2831 Brc1ccc(o1)CNCc2ccc(s2)Br 270004a_100000708654_100000179771 [0,2,0,0,0,0|1,1,0]=4 2677 B16R2.2831 Brc1ccc(o1)CNCc2ccc(s2)Br 270004a_100000737305_100000185145 [0,2,0,0,0,0|1,1,0]=4 2678 B16R2.2831 Brc1ccc(o1)CNCc2ccc(s2)Br 34a_100000708654_100000708592 [0,2,0,0,0,0|1,1,0]=4 2679 B16R2.2831 Brc1ccc(o1)COCc2ccc(s2)Br 34a_100000246276_100000708592 [0,2,0,0,0,0|0,2,0]=4 2680 B16R2.2831 Brc1ccc(o1)COCc2ccc(s2)Br 7a_100000246276_100000708592 [0,2,0,0,0,0|0,2,0]=4 2681 B16R2.2831 Brc1ccc(s1)CNCc2ccc(o2)I 207a_100000737305_100000186757 [0,2,0,0,0,0|1,1,0]=4 2682 B16R2.2831 Brc1ccc(s1)CSCc2ccc(s2)Br 62a_100000708592_100000708592 [0,2,0,0,0,0|0,2,0]=4 2683 B16R2.2831 Brc1coc(c1)CNCc2cc(cs2)Br 270004a_100000741024_100000747035 [0,2,0,0,0,0|1,1,0]=4 2684 B16R2.2831 Brc1coc(c1)CNCc2ccc(o2)Br 270004a_100000708654_100000747035 [0,2,0,0,0,0|1,0,0]=3 2685 B16R2.2831 Brc1coc(c1)CNCc2ccc(s2)Br 270004a_100000737305_100000747035 [0,2,0,0,0,0|1,1,0]=4 2686 B16R2.2831 Brc1csc(c1)CNCc2ccc(o2)Br 207a_100000708654_100000211722 [0,2,0,0,0,0|1,1,0]=4 2687 B16R2.2831 Brc1csc(c1)CNCc2ccc(o2)Br 207a_100000741024_100000185145 [0,2,0,0,0,0|1,1,0]=4 2688 B16R2.2831 Brc1csc(c1)CNCc2ccc(o2)Br 270004a_100000708654_100000211722 [0,2,0,0,0,0|1,1,0]=4 2689 B16R2.2831 Brc1csc(c1)CNCc2ccc(o2)Br 270004a_100000741024_100000185145 [0,2,0,0,0,0|1,1,0]=4 2690 B16R2.2831 Brc1csc(c1)CNCc2ccc(o2)Br 34a_100000708654_100000746031 [0,2,0,0,0,0|1,1,0]=4 2691 B16R2.2831 Brc1csc(c1)CNCc2ccc(o2)I 207a_100000741024_100000186757 [0,2,0,0,0,0|1,1,0]=4 2692 B16R2.2831 Brc1csc(c1)COCc2ccc(o2)Br 34a_100000246276_100000746031 [0,2,0,0,0,0|0,2,0]=4 2693 B16R2.2831 Brc1csc(c1)COCc2ccc(o2)Br 7a_100000246276_100000746031 [0,2,0,0,0,0|0,2,0]=4 2694 B16R2.2831 Brc1csc(c1)CSCc2cc(cs2)Br 62a_100000746031_100000746031 [0,2,0,0,0,0|0,2,0]=4 2695 B16R2.2831 Brc1csc(c1)CSCc2cc(no2)Br 62a_100000709089_100000746031 [0,2,0,0,0,0|1,1,0]=4 2696 B16R2.2831 Brc1csc(c1)CSCc2cc(no2)Br 62a_100000746031_100000709089 [0,2,0,0,0,0|1,1,0]=4 2697 B16R2.2831 Brc1csc(c1)CSCc2ccc(s2)Br 62a_100000708592_100000746031 [0,2,0,0,0,0|0,2,0]=4 2698 B16R2.2831 Brc1csc(c1)CSCc2ccc(s2)Br 62a_100000746031_100000708592 [0,2,0,0,0,0|0,2,0]=4 2699 B16R2.2831 Cc1cc(on1)CNCc2cc(co2)Br 270004a_100000745748_100000747035 [0,2,0,0,0,0|2,0,0]=4 2700 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)Br 207a_100000708654_100011794430 [0,2,0,0,0,0|2,0,0]=4 2701 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)Br 207a_100000745748_100000185145 [0,2,0,0,0,0|2,0,0]=4 2702 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)Br 270004a_100000708654_100011794430 [0,2,0,0,0,0|2,0,0]=4 2703 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)Br 270004a_100000745748_100000185145 [0,2,0,0,0,0|2,0,0]=4 2704 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)Br 34a_100000708654_100000707947 [0,2,0,0,0,0|2,0,0]=4 2705 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)C 207a_100000745748_100000183696 [0,2,0,0,0,0|2,0,0]=4 2706 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)C 207a_100011194323_100011794430 [0,2,0,0,0,0|2,0,0]=4 2707 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)C 270004a_100000745748_100000183696 [0,2,0,0,0,0|2,0,0]=4 2708 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)C 270004a_100011194323_100011794430 [0,2,0,0,0,0|2,0,0]=4 2709 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)C 34a_100011194323_100000707947 [0,2,0,0,0,0|2,0,0]=4 2710 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)Cl 207a_100000745748_100000188459 [0,2,0,0,0,0|2,0,0]=4 2711 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)Cl 270004a_100000745748_100000188459 [0,2,0,0,0,0|2,0,0]=4 2712 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)I 207a_100000745748_100000186757 [0,2,0,0,0,0|2,0,0]=4 2713 B16R2.2831 Cc1cc(on1)COCc2ccc(o2)Br 34a_100000246276_100000707947 [0,2,0,0,0,0|1,1,0]=4 2714 B16R2.2831 Cc1cc(on1)COCc2ccc(o2)Br 7a_100000246276_100000707947 [0,2,0,0,0,0|1,1,0]=4 2715 B16R2.2831 Cc1cc(on1)COCc2ccc(o2)C 34a_100011232665_100000707947 [0,2,0,0,0,0|1,1,0]=4 2716 B16R2.2831 Cc1cc(on1)COCc2ccc(o2)C 7a_100011232665_100000707947 [0,2,0,0,0,0|1,1,0]=4 2717 B16R2.2831 Cc1cc(on1)CSCc2cc(cs2)Br 62a_100000707947_100000746031 [0,2,0,0,0,0|1,1,0]=4 2718 B16R2.2831 Cc1cc(on1)CSCc2cc(cs2)Br 62a_100000746031_100000707947 [0,2,0,0,0,0|1,1,0]=4 2719 B16R2.2831 Cc1cc(on1)CSCc2cc(no2)Br 62a_100000707947_100000709089 [0,2,0,0,0,0|2,0,0]=4 2720 B16R2.2831 Cc1cc(on1)CSCc2cc(no2)Br 62a_100000709089_100000707947 [0,2,0,0,0,0|2,0,0]=4 2721 B16R2.2831 Cc1cc(on1)CSCc2cc(no2)C 62a_100000707947_100000707947 [0,2,0,0,0,0|2,0,0]=4 2722 B16R2.2831 Cc1cc(on1)CSCc2ccc(s2)Br 62a_100000707947_100000708592 [0,2,0,0,0,0|1,1,0]=4 2723 B16R2.2831 Cc1cc(on1)CSCc2ccc(s2)Br 62a_100000708592_100000707947 [0,2,0,0,0,0|1,1,0]=4 2724 B16R2.2831 Cc1cc(on1)CSCc2ccc(s2)Cl 62a_100000185097_100000707947 [0,2,0,0,0,0|1,1,0]=4 2725 B16R2.2831 Cc1cc(on1)CSCc2ccc(s2)Cl 62a_100000707947_100000185097 [0,2,0,0,0,0|1,1,0]=4 2726 B16R2.2831 Cc1ccc(o1)CNCc2cc(c[nH]2)Br 270004a_100011194323_100000720742 [0,2,0,0,0,0|2,0,0]=4 2727 B16R2.2831 Cc1ccc(o1)CNCc2cc(co2)Br 270004a_100011194323_100000747035 [0,2,0,0,0,0|1,0,0]=3 2728 B16R2.2831 Cc1ccc(o1)CNCc2cc(cs2)Br 207a_100000741024_100000183696 [0,2,0,0,0,0|1,1,0]=4 2729 B16R2.2831 Cc1ccc(o1)CNCc2cc(cs2)Br 207a_100011194323_100000211722 [0,2,0,0,0,0|1,1,0]=4 2730 B16R2.2831 Cc1ccc(o1)CNCc2cc(cs2)Br 270004a_100000741024_100000183696 [0,2,0,0,0,0|1,1,0]=4 2731 B16R2.2831 Cc1ccc(o1)CNCc2cc(cs2)Br 270004a_100011194323_100000211722 [0,2,0,0,0,0|1,1,0]=4 2732 B16R2.2831 Cc1ccc(o1)CNCc2cc(cs2)Br 34a_100011194323_100000746031 [0,2,0,0,0,0|1,1,0]=4 2733 B16R2.2831 Cc1ccc(o1)CNCc2cc(cs2)Cl 207a_100011194323_100000102487 [0,2,0,0,0,0|1,1,0]=4 2734 B16R2.2831 Cc1ccc(o1)CNCc2cc(cs2)Cl 270004a_100011194323_100000102487 [0,2,0,0,0,0|1,1,0]=4 2735 B16R2.2831 Cc1ccc(o1)CNCc2cc(cs2)I 207a_100011194323_100010179861 [0,2,0,0,0,0|1,1,0]=4 2736 B16R2.2831 Cc1ccc(o1)CNCc2cc(no2)Br 207a_100015193020_100000183696 [0,2,0,0,0,0|2,0,0]=4 2737 B16R2.2831 Cc1ccc(o1)CNCc2cc(no2)Br 270004a_100011194323_100009819588 [0,2,0,0,0,0|2,0,0]=4 2738 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)Br 207a_100000708654_100000183696 [0,2,0,0,0,0|1,0,0]=3 2739 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)Br 207a_100011194323_100000185145 [0,2,0,0,0,0|1,0,0]=3 2740 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)Br 270004a_100000708654_100000183696 [0,2,0,0,0,0|1,0,0]=3 2741 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)Br 270004a_100011194323_100000185145 [0,2,0,0,0,0|1,0,0]=3 2742 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)C 207a_100011194323_100000183696 [0,2,0,0,0,0|1,0,0]=3 2743 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)C 270004a_100011194323_100000183696 [0,2,0,0,0,0|1,0,0]=3 2744 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)Cl 207a_100011194323_100000188459 [0,2,0,0,0,0|1,0,0]=3 2745 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)Cl 270004a_100011194323_100000188459 [0,2,0,0,0,0|1,0,0]=3 2746 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)I 207a_100011194323_100000186757 [0,2,0,0,0,0|1,0,0]=3 2747 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Br 207a_100000737305_100000183696 [0,2,0,0,0,0|1,1,0]=4 2748 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Br 207a_100011194323_100000179771 [0,2,0,0,0,0|1,1,0]=4 2749 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Br 270004a_100000737305_100000183696 [0,2,0,0,0,0|1,1,0]=4 2750 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Br 270004a_100011194323_100000179771 [0,2,0,0,0,0|1,1,0]=4 2751 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Br 34a_100011194323_100000708592 [0,2,0,0,0,0|1,1,0]=4 2752 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)C 207a_100000238518_100000183696 [0,2,0,0,0,0|1,1,0]=4 2753 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)C 207a_100011194323_100000211121 [0,2,0,0,0,0|1,1,0]=4 2754 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)C 270004a_100000238518_100000183696 [0,2,0,0,0,0|1,1,0]=4 2755 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)C 270004a_100011194323_100000211121 [0,2,0,0,0,0|1,1,0]=4 2756 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Cl 207a_100000737310_100000183696 [0,2,0,0,0,0|1,1,0]=4 2757 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Cl 207a_100011194323_100000242774 [0,2,0,0,0,0|1,1,0]=4 2758 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Cl 270004a_100000737310_100000183696 [0,2,0,0,0,0|1,1,0]=4 2759 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Cl 270004a_100011194323_100000242774 [0,2,0,0,0,0|1,1,0]=4 2760 B16R2.2831 Cc1ccc(o1)CNCc2ccc(s2)Cl 34a_100011194323_100000185097 [0,2,0,0,0,0|1,1,0]=4 2761 B16R2.2831 Cc1ccc(o1)CNCc2cnc(o2)C 207a_100011194323_100000084308 [0,2,0,0,0,0|2,0,0]=4 2762 B16R2.2831 Cc1ccc(o1)CNCc2cnc(o2)C 270004a_100011194323_100000084308 [0,2,0,0,0,0|2,0,0]=4 2763 B16R2.2831 Cc1ccc(o1)CNCc2ncc(o2)C 207a_100138411809_100000183696 [0,2,0,0,0,0|2,0,0]=4 2764 B16R2.2831 Cc1ccc(o1)COCc2cc(cs2)Br 34a_100011232665_100000746031 [0,2,0,0,0,0|0,2,0]=4 2765 B16R2.2831 Cc1ccc(o1)COCc2cc(cs2)Br 7a_100011232665_100000746031 [0,2,0,0,0,0|0,2,0]=4 2766 B16R2.2831 Cc1ccc(o1)COCc2cc(no2)Br 7a_100011232665_100000709089 [0,2,0,0,0,0|1,1,0]=4 2767 B16R2.2831 Cc1ccc(o1)COCc2ccc(s2)Br 34a_100011232665_100000708592 [0,2,0,0,0,0|0,2,0]=4 2768 B16R2.2831 Cc1ccc(o1)COCc2ccc(s2)Br 7a_100011232665_100000708592 [0,2,0,0,0,0|0,2,0]=4 2769 B16R2.2831 Cc1ccc(o1)COCc2ccc(s2)Cl 34a_100011232665_100000185097 [0,2,0,0,0,0|0,2,0]=4 2770 B16R2.2831 Cc1ccc(o1)COCc2ccc(s2)Cl 7a_100011232665_100000185097 [0,2,0,0,0,0|0,2,0]=4 2771 B16R2.2831 Cc1ccc(s1)CNCc2cc(co2)Br 270004a_100000238518_100000747035 [0,2,0,0,0,0|1,1,0]=4 2772 B16R2.2831 Cc1ccc(s1)CNCc2ccc(o2)Br 207a_100000238518_100000185145 [0,2,0,0,0,0|1,1,0]=4 2773 B16R2.2831 Cc1ccc(s1)CNCc2ccc(o2)Br 207a_100000708654_100000211121 [0,2,0,0,0,0|1,1,0]=4 2774 B16R2.2831 Cc1ccc(s1)CNCc2ccc(o2)Br 270004a_100000238518_100000185145 [0,2,0,0,0,0|1,1,0]=4 2775 B16R2.2831 Cc1ccc(s1)CNCc2ccc(o2)Br 270004a_100000708654_100000211121 [0,2,0,0,0,0|1,1,0]=4 2776 B16R2.2831 Cc1ccc(s1)CNCc2ccc(o2)Cl 207a_100000238518_100000188459 [0,2,0,0,0,0|1,1,0]=4 2777 B16R2.2831 Cc1ccc(s1)CNCc2ccc(o2)Cl 270004a_100000238518_100000188459 [0,2,0,0,0,0|1,1,0]=4 2778 B16R2.2831 Cc1ccc(s1)CNCc2ccc(o2)I 207a_100000238518_100000186757 [0,2,0,0,0,0|1,1,0]=4 2779 B16R2.2831 Cc1cnc(o1)CNCc2ccc(o2)Br 207a_100138411809_100000185145 [0,2,0,0,0,0|2,0,0]=4 2780 B16R2.2831 Cc1cnc(o1)CNCc2ccc(o2)Cl 207a_100138411809_100000188459 [0,2,0,0,0,0|2,0,0]=4 2781 B16R2.2831 Cc1cnc(o1)CNCc2ccc(o2)I 207a_100138411809_100000186757 [0,2,0,0,0,0|2,0,0]=4 2782 B16R2.2831 Cc1csc(c1)CNCc2cc(co2)Br 270004a_100015204214_100000747035 [0,2,0,0,0,0|1,1,0]=4 2783 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)Br 207a_100000708654_100102525248 [0,2,0,0,0,0|1,1,0]=4 2784 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)Br 207a_100015204214_100000185145 [0,2,0,0,0,0|1,1,0]=4 2785 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)Br 270004a_100000708654_100102525248 [0,2,0,0,0,0|1,1,0]=4 2786 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)Br 270004a_100015204214_100000185145 [0,2,0,0,0,0|1,1,0]=4 2787 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)C 207a_100011194323_100102525248 [0,2,0,0,0,0|1,1,0]=4 2788 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)C 207a_100015204214_100000183696 [0,2,0,0,0,0|1,1,0]=4 2789 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)C 270004a_100011194323_100102525248 [0,2,0,0,0,0|1,1,0]=4 2790 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)C 270004a_100015204214_100000183696 [0,2,0,0,0,0|1,1,0]=4 2791 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)Cl 207a_100015204214_100000188459 [0,2,0,0,0,0|1,1,0]=4 2792 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)Cl 270004a_100015204214_100000188459 [0,2,0,0,0,0|1,1,0]=4 2793 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)I 207a_100015204214_100000186757 [0,2,0,0,0,0|1,1,0]=4 2794 B16R2.2831 Cc1ncc(o1)CNCc2ccc(o2)Br 207a_100000708654_100000084308 [0,2,0,0,0,0|2,0,0]=4 2795 B16R2.2831 Cc1ncc(o1)CNCc2ccc(o2)Br 270004a_100000708654_100000084308 [0,2,0,0,0,0|2,0,0]=4 2796 B16R2.2831 Clc1ccc(o1)CNCc2cc(cs2)Br 207a_100000741024_100000188459 [0,2,0,0,0,0|1,1,0]=4 2797 B16R2.2831 Clc1ccc(o1)CNCc2cc(cs2)Br 270004a_100000741024_100000188459 [0,2,0,0,0,0|1,1,0]=4 2798 B16R2.2831 Clc1ccc(o1)CNCc2cc(no2)Br 207a_100015193020_100000188459 [0,2,0,0,0,0|2,0,0]=4 2799 B16R2.2831 Clc1ccc(o1)CNCc2ccc(o2)Br 207a_100000708654_100000188459 [0,2,0,0,0,0|1,0,0]=3 2800 B16R2.2831 Clc1ccc(o1)CNCc2ccc(o2)Br 270004a_100000708654_100000188459 [0,2,0,0,0,0|1,0,0]=3 2801 B16R2.2831 Clc1ccc(o1)CNCc2ccc(s2)Br 207a_100000737305_100000188459 [0,2,0,0,0,0|1,1,0]=4 2802 B16R2.2831 Clc1ccc(o1)CNCc2ccc(s2)Br 270004a_100000737305_100000188459 [0,2,0,0,0,0|1,1,0]=4 2803 B16R2.2831 Clc1ccc(o1)CNCc2ccc(s2)Cl 207a_100000737310_100000188459 [0,2,0,0,0,0|1,1,0]=4 2804 B16R2.2831 Clc1ccc(o1)CNCc2ccc(s2)Cl 270004a_100000737310_100000188459 [0,2,0,0,0,0|1,1,0]=4 2805 B16R2.2831 Clc1ccc(s1)CNCc2cc(co2)Br 270004a_100000737310_100000747035 [0,2,0,0,0,0|1,1,0]=4 2806 B16R2.2831 Clc1ccc(s1)CNCc2ccc(o2)Br 207a_100000708654_100000242774 [0,2,0,0,0,0|1,1,0]=4 2807 B16R2.2831 Clc1ccc(s1)CNCc2ccc(o2)Br 207a_100000737310_100000185145 [0,2,0,0,0,0|1,1,0]=4 2808 B16R2.2831 Clc1ccc(s1)CNCc2ccc(o2)Br 270004a_100000708654_100000242774 [0,2,0,0,0,0|1,1,0]=4 2809 B16R2.2831 Clc1ccc(s1)CNCc2ccc(o2)Br 270004a_100000737310_100000185145 [0,2,0,0,0,0|1,1,0]=4 2810 B16R2.2831 Clc1ccc(s1)CNCc2ccc(o2)Br 34a_100000708654_100000185097 [0,2,0,0,0,0|1,1,0]=4 2811 B16R2.2831 Clc1ccc(s1)CNCc2ccc(o2)I 207a_100000737310_100000186757 [0,2,0,0,0,0|1,1,0]=4 2812 B16R2.2831 Clc1ccc(s1)COCc2ccc(o2)Br 34a_100000246276_100000185097 [0,2,0,0,0,0|0,2,0]=4 2813 B16R2.2831 Clc1ccc(s1)COCc2ccc(o2)Br 7a_100000246276_100000185097 [0,2,0,0,0,0|0,2,0]=4 2814 B16R2.2831 Clc1ccc(s1)CSCc2cc(cs2)Br 62a_100000185097_100000746031 [0,2,0,0,0,0|0,2,0]=4 2815 B16R2.2831 Clc1ccc(s1)CSCc2cc(cs2)Br 62a_100000746031_100000185097 [0,2,0,0,0,0|0,2,0]=4 2816 B16R2.2831 Clc1ccc(s1)CSCc2cc(no2)Br 62a_100000185097_100000709089 [0,2,0,0,0,0|1,1,0]=4 2817 B16R2.2831 Clc1ccc(s1)CSCc2cc(no2)Br 62a_100000709089_100000185097 [0,2,0,0,0,0|1,1,0]=4 2818 B16R2.2831 Clc1ccc(s1)CSCc2ccc(s2)Br 62a_100000185097_100000708592 [0,2,0,0,0,0|0,2,0]=4 2819 B16R2.2831 Clc1ccc(s1)CSCc2ccc(s2)Br 62a_100000708592_100000185097 [0,2,0,0,0,0|0,2,0]=4 2820 B16R2.2831 Clc1ccc(s1)CSCc2ccc(s2)Cl 62a_100000185097_100000185097 [0,2,0,0,0,0|0,2,0]=4 2821 B16R2.2831 Clc1csc(c1)CNCc2ccc(o2)Br 207a_100000708654_100000102487 [0,2,0,0,0,0|1,1,0]=4 2822 B16R2.2831 Clc1csc(c1)CNCc2ccc(o2)Br 270004a_100000708654_100000102487 [0,2,0,0,0,0|1,1,0]=4 2823 B16R2.2840 CC(NCc1cc(co1)Br)c2cccs2 270004a_100000703493_100000747035 [0,2,0,0,0,0|1,1,0]=4 2824 B16R2.2840 CC(NCc1ccc(o1)Br)c2ccc[nH]2 269862a_100000708654_100000183661 [0,2,0,0,0,0|2,0,0]=4 2825 B16R2.2840 CC(NCc1ccc(o1)Br)c2cccs2 207a_100000703493_100000185145 [0,2,0,0,0,0|1,1,0]=4 2826 B16R2.2840 CC(NCc1ccc(o1)Br)c2cccs2 269862a_100000708654_100000185736 [0,2,0,0,0,0|1,1,0]=4 2827 B16R2.2840 CC(NCc1ccc(o1)Br)c2cccs2 270004a_100000703493_100000185145 [0,2,0,0,0,0|1,1,0]=4 2828 B16R2.2840 CC(NCc1ccc(o1)Cl)c2cccs2 207a_100000703493_100000188459 [0,2,0,0,0,0|1,1,0]=4 2829 B16R2.2840 CC(NCc1ccc(o1)Cl)c2cccs2 270004a_100000703493_100000188459 [0,2,0,0,0,0|1,1,0]=4 2830 B16R2.2840 CC(NCc1ccc(o1)I)c2cccs2 207a_100000703493_100000186757 [0,2,0,0,0,0|1,1,0]=4 2831 B16R2.2840 C[C@@H](NCc1cc(c[nH]1)Br)c2ccco2 270004a_100160469435_100000720742 [0,2,0,0,0,0|2,0,0]=4 2832 B16R2.2840 C[C@@H](NCc1cc(co1)Br)c2ccco2 270004a_100160469435_100000747035 [0,2,0,0,0,0|1,0,0]=3 2833 B16R2.2840 C[C@@H](NCc1cc(cs1)Br)c2ccco2 207a_100160469435_100000211722 [0,2,0,0,0,0|1,1,0]=4 2834 B16R2.2840 C[C@@H](NCc1cc(cs1)Br)c2ccco2 2230a_100160469435_100000746031 [0,2,0,0,0,0|1,1,0]=4 2835 B16R2.2840 C[C@@H](NCc1cc(cs1)Br)c2ccco2 270004a_100160469435_100000211722 [0,2,0,0,0,0|1,1,0]=4 2836 B16R2.2840 C[C@@H](NCc1cc(cs1)Cl)c2ccco2 207a_100160469435_100000102487 [0,2,0,0,0,0|1,1,0]=4 2837 B16R2.2840 C[C@@H](NCc1cc(cs1)Cl)c2ccco2 270004a_100160469435_100000102487 [0,2,0,0,0,0|1,1,0]=4 2838 B16R2.2840 C[C@@H](NCc1cc(cs1)I)c2ccco2 207a_100160469435_100010179861 [0,2,0,0,0,0|1,1,0]=4 2839 B16R2.2840 C[C@@H](NCc1cc(no1)Br)c2ccco2 270004a_100160469435_100009819588 [0,2,0,0,0,0|2,0,0]=4 2840 B16R2.2840 C[C@@H](NCc1ccc(o1)Br)c2ccco2 207a_100160469435_100000185145 [0,2,0,0,0,0|1,0,0]=3 2841 B16R2.2840 C[C@@H](NCc1ccc(o1)Br)c2ccco2 270004a_100160469435_100000185145 [0,2,0,0,0,0|1,0,0]=3 2842 B16R2.2840 C[C@@H](NCc1ccc(o1)Cl)c2ccco2 207a_100160469435_100000188459 [0,2,0,0,0,0|1,0,0]=3 2843 B16R2.2840 C[C@@H](NCc1ccc(o1)Cl)c2ccco2 270004a_100160469435_100000188459 [0,2,0,0,0,0|1,0,0]=3 2844 B16R2.2840 C[C@@H](NCc1ccc(o1)I)c2ccco2 207a_100160469435_100000186757 [0,2,0,0,0,0|1,0,0]=3 2845 B16R2.2840 C[C@@H](NCc1ccc(s1)Br)c2ccco2 207a_100160469435_100000179771 [0,2,0,0,0,0|1,1,0]=4 2846 B16R2.2840 C[C@@H](NCc1ccc(s1)Br)c2ccco2 2230a_100160469435_100000708592 [0,2,0,0,0,0|1,1,0]=4 2847 B16R2.2840 C[C@@H](NCc1ccc(s1)Br)c2ccco2 270004a_100160469435_100000179771 [0,2,0,0,0,0|1,1,0]=4 2848 B16R2.2840 C[C@@H](NCc1ccc(s1)Cl)c2ccco2 207a_100160469435_100000242774 [0,2,0,0,0,0|1,1,0]=4 2849 B16R2.2840 C[C@@H](NCc1ccc(s1)Cl)c2ccco2 2230a_100160469435_100000185097 [0,2,0,0,0,0|1,1,0]=4 2850 B16R2.2840 C[C@@H](NCc1ccc(s1)Cl)c2ccco2 270004a_100160469435_100000242774 [0,2,0,0,0,0|1,1,0]=4 2851 B16R2.2840 C[C@H](OCc1cc(cs1)Br)c2ccco2 34a_100000755270_100000746031 [0,2,0,0,0,0|0,2,0]=4 2852 B16R2.2840 C[C@H](OCc1cc(cs1)Br)c2ccco2 7a_100000755270_100000746031 [0,2,0,0,0,0|0,2,0]=4 2853 B16R2.2840 C[C@H](OCc1cc(no1)Br)c2ccco2 7a_100000755270_100000709089 [0,2,0,0,0,0|1,1,0]=4 2854 B16R2.2840 C[C@H](OCc1ccc(s1)Br)c2ccco2 34a_100000755270_100000708592 [0,2,0,0,0,0|0,2,0]=4 2855 B16R2.2840 C[C@H](OCc1ccc(s1)Br)c2ccco2 7a_100000755270_100000708592 [0,2,0,0,0,0|0,2,0]=4 2856 B16R2.2840 C[C@H](OCc1ccc(s1)Cl)c2ccco2 34a_100000755270_100000185097 [0,2,0,0,0,0|0,2,0]=4 2857 B16R2.2840 C[C@H](OCc1ccc(s1)Cl)c2ccco2 7a_100000755270_100000185097 [0,2,0,0,0,0|0,2,0]=4 2858 B16R2.2840 Cc1cc(on1)CN[C@H](C)c2ccco2 207a_100160469435_100011794430 [0,2,0,0,0,0|2,0,0]=4 2859 B16R2.2840 Cc1cc(on1)CN[C@H](C)c2ccco2 2230a_100160469435_100000707947 [0,2,0,0,0,0|2,0,0]=4 2860 B16R2.2840 Cc1cc(on1)CN[C@H](C)c2ccco2 270004a_100160469435_100011794430 [0,2,0,0,0,0|2,0,0]=4 2861 B16R2.2840 Cc1cc(on1)CO[C@@H](C)c2ccco2 34a_100000755270_100000707947 [0,2,0,0,0,0|1,1,0]=4 2862 B16R2.2840 Cc1cc(on1)CO[C@@H](C)c2ccco2 7a_100000755270_100000707947 [0,2,0,0,0,0|1,1,0]=4 2863 B16R2.2840 Cc1ccc(o1)CNC(C)c2ccc[nH]2 269862a_100011194323_100000183661 [0,2,0,0,0,0|2,0,0]=4 2864 B16R2.2840 Cc1ccc(o1)CNC(C)c2cccs2 207a_100000703493_100000183696 [0,2,0,0,0,0|1,1,0]=4 2865 B16R2.2840 Cc1ccc(o1)CNC(C)c2cccs2 269862a_100011194323_100000185736 [0,2,0,0,0,0|1,1,0]=4 2866 B16R2.2840 Cc1ccc(o1)CNC(C)c2cccs2 270004a_100000703493_100000183696 [0,2,0,0,0,0|1,1,0]=4 2867 B16R2.2840 Cc1ccc(o1)CN[C@H](C)c2ccco2 207a_100160469435_100000183696 [0,2,0,0,0,0|1,0,0]=3 2868 B16R2.2840 Cc1ccc(o1)CN[C@H](C)c2ccco2 270004a_100160469435_100000183696 [0,2,0,0,0,0|1,0,0]=3 2869 B16R2.2840 Cc1ccc(s1)CN[C@H](C)c2ccco2 207a_100160469435_100000211121 [0,2,0,0,0,0|1,1,0]=4 2870 B16R2.2840 Cc1ccc(s1)CN[C@H](C)c2ccco2 270004a_100160469435_100000211121 [0,2,0,0,0,0|1,1,0]=4 2871 B16R2.2840 Cc1csc(c1)CN[C@H](C)c2ccco2 207a_100160469435_100102525248 [0,2,0,0,0,0|1,1,0]=4 2872 B16R2.2840 Cc1csc(c1)CN[C@H](C)c2ccco2 270004a_100160469435_100102525248 [0,2,0,0,0,0|1,1,0]=4 2873 B16R2.2840 Cc1ncc(o1)CN[C@H](C)c2ccco2 207a_100160469435_100000084308 [0,2,0,0,0,0|2,0,0]=4 2874 B16R2.2840 Cc1ncc(o1)CN[C@H](C)c2ccco2 270004a_100160469435_100000084308 [0,2,0,0,0,0|2,0,0]=4 2875 B16R2.2849 CN(Cc1cc(c[nH]1)Br)Cc2ccco2 270004a_100000185268_100000720742 [0,2,0,0,0,0|2,0,0]=4 2876 B16R2.2849 CN(Cc1cc(co1)Br)Cc2cccs2 270004a_100000184426_100000747035 [0,2,0,0,0,0|1,1,0]=4 2877 B16R2.2849 CN(Cc1ccc(o1)Br)Cc2cccs2 270004a_100000184426_100000185145 [0,2,0,0,0,0|1,1,0]=4 2878 B16R2.2849 CN(Cc1ccc(o1)Br)Cc2cccs2 270004a_100000207588_100000209959 [0,2,0,0,0,0|1,1,0]=4 2879 B16R2.2849 CN(Cc1ccc(o1)Br)Cc2ncco2 2230a_100000207588_103436540062 [0,2,0,0,0,0|2,0,0]=4 2880 B16R2.2849 CN(Cc1ccc(o1)Br)Cc2ncco2 269982a_100000207588_103436540062 [0,2,0,0,0,0|2,0,0]=4 2881 B16R2.2849 CN(Cc1ccc(o1)Br)Cc2ncco2 270004a_100000207588_100000064290 [0,2,0,0,0,0|2,0,0]=4 2882 B16R2.2849 CN(Cc1ccc(o1)Cl)Cc2cccs2 270004a_100000184426_100000188459 [0,2,0,0,0,0|1,1,0]=4 2883 B16R2.2849 CN(Cc1ccco1)Cc2cc(co2)Br 270004a_100000185268_100000747035 [0,2,0,0,0,0|1,0,0]=3 2884 B16R2.2849 CN(Cc1ccco1)Cc2cc(cs2)Br 2230a_100000185268_100000746031 [0,2,0,0,0,0|1,1,0]=4 2885 B16R2.2849 CN(Cc1ccco1)Cc2cc(cs2)Br 269982a_100000185268_100000746031 [0,2,0,0,0,0|1,1,0]=4 2886 B16R2.2849 CN(Cc1ccco1)Cc2cc(cs2)Br 270004a_100000185268_100000211722 [0,2,0,0,0,0|1,1,0]=4 2887 B16R2.2849 CN(Cc1ccco1)Cc2cc(cs2)Br 270004a_100000207611_100000186105 [0,2,0,0,0,0|1,1,0]=4 2888 B16R2.2849 CN(Cc1ccco1)Cc2cc(cs2)Cl 270004a_100000185268_100000102487 [0,2,0,0,0,0|1,1,0]=4 2889 B16R2.2849 CN(Cc1ccco1)Cc2cc(no2)Br 269982a_100000185268_100000709089 [0,2,0,0,0,0|2,0,0]=4 2890 B16R2.2849 CN(Cc1ccco1)Cc2cc(no2)Br 270004a_100000185268_100009819588 [0,2,0,0,0,0|2,0,0]=4 2891 B16R2.2849 CN(Cc1ccco1)Cc2ccc(o2)Br 270004a_100000185268_100000185145 [0,2,0,0,0,0|1,0,0]=3 2892 B16R2.2849 CN(Cc1ccco1)Cc2ccc(o2)Br 270004a_100000207588_100000186105 [0,2,0,0,0,0|1,0,0]=3 2893 B16R2.2849 CN(Cc1ccco1)Cc2ccc(o2)Cl 270004a_100000185268_100000188459 [0,2,0,0,0,0|1,0,0]=3 2894 B16R2.2849 CN(Cc1ccco1)Cc2ccc(s2)Br 2230a_100000185268_100000708592 [0,2,0,0,0,0|1,1,0]=4 2895 B16R2.2849 CN(Cc1ccco1)Cc2ccc(s2)Br 269982a_100000185268_100000708592 [0,2,0,0,0,0|1,1,0]=4 2896 B16R2.2849 CN(Cc1ccco1)Cc2ccc(s2)Br 270004a_100000185268_100000179771 [0,2,0,0,0,0|1,1,0]=4 2897 B16R2.2849 CN(Cc1ccco1)Cc2ccc(s2)Cl 2230a_100000185268_100000185097 [0,2,0,0,0,0|1,1,0]=4 2898 B16R2.2849 CN(Cc1ccco1)Cc2ccc(s2)Cl 269982a_100000185268_100000185097 [0,2,0,0,0,0|1,1,0]=4 2899 B16R2.2849 CN(Cc1ccco1)Cc2ccc(s2)Cl 270004a_100000185268_100000242774 [0,2,0,0,0,0|1,1,0]=4 2900 B16R2.2849 CN(Cc1cnco1)Cc2ccc(o2)Br 270004a_100000207588_100000064291 [0,2,0,0,0,0|2,0,0]=4 2901 B16R2.2849 Cc1cc(on1)CC(=O)Cc2ccco2 1458a_100011217309_100000707947 [0,2,0,0,0,0|2,0,0]=4 2902 B16R2.2849 Cc1cc(on1)CN(C)Cc2ccco2 2230a_100000185268_100000707947 [0,2,0,0,0,0|2,0,0]=4 2903 B16R2.2849 Cc1cc(on1)CN(C)Cc2ccco2 269982a_100000185268_100000707947 [0,2,0,0,0,0|2,0,0]=4 2904 B16R2.2849 Cc1cc(on1)CN(C)Cc2ccco2 270004a_100000185268_100011794430 [0,2,0,0,0,0|2,0,0]=4 2905 B16R2.2849 Cc1ccc(o1)CN(C)Cc2ccco2 270004a_100000184526_100000186105 [0,2,0,0,0,0|1,0,0]=3 2906 B16R2.2849 Cc1ccc(o1)CN(C)Cc2ccco2 270004a_100000185268_100000183696 [0,2,0,0,0,0|1,0,0]=3 2907 B16R2.2849 Cc1ccc(o1)CN(C)Cc2cccs2 270004a_100000184426_100000183696 [0,2,0,0,0,0|1,1,0]=4 2908 B16R2.2849 Cc1ccc(o1)CN(C)Cc2cccs2 270004a_100000184526_100000209959 [0,2,0,0,0,0|1,1,0]=4 2909 B16R2.2849 Cc1ccc(o1)CN(C)Cc2cnco2 270004a_100000184526_100000064291 [0,2,0,0,0,0|2,0,0]=4 2910 B16R2.2849 Cc1ccc(o1)CN(C)Cc2ncco2 2230a_100000184526_103436540062 [0,2,0,0,0,0|2,0,0]=4 2911 B16R2.2849 Cc1ccc(o1)CN(C)Cc2ncco2 269982a_100000184526_103436540062 [0,2,0,0,0,0|2,0,0]=4 2912 B16R2.2849 Cc1ccc(o1)CN(C)Cc2ncco2 270004a_100000184526_100000064290 [0,2,0,0,0,0|2,0,0]=4 2913 B16R2.2849 Cc1ccc(o1)CN(C)Cc2ncco2 34a_100000184526_103436540062 [0,2,0,0,0,0|2,0,0]=4 2914 B16R2.2849 Cc1ccc(s1)CN(C)Cc2ccco2 270004a_100000185268_100000211121 [0,2,0,0,0,0|1,1,0]=4 2915 B16R2.2849 Cc1ccc(s1)CN(C)Cc2ccco2 270004a_100000751125_100000186105 [0,2,0,0,0,0|1,1,0]=4 2916 B16R2.2849 Cc1csc(c1)CN(C)Cc2ccco2 270004a_100000185268_100102525248 [0,2,0,0,0,0|1,1,0]=4 2917 B16R2.2849 Cc1csc(c1)CN(C)Cc2ccco2 270004a_100011502060_100000186105 [0,2,0,0,0,0|1,1,0]=4 2918 B16R2.2849 Cc1ncc(o1)CN(C)Cc2ccco2 270004a_100000185268_100000084308 [0,2,0,0,0,0|2,0,0]=4 2919 B16R2.2849 O=C(Cc1ccco1)Cc2cc(cs2)Br 1458a_100011217309_100000746031 [0,2,0,0,0,0|1,1,0]=4 2920 B16R2.2849 O=C(Cc1ccco1)Cc2cc(no2)Br 1458a_100011217309_100000709089 [0,2,0,0,0,0|2,0,0]=4 2921 B16R2.2849 O=C(Cc1ccco1)Cc2ccc(s2)Br 1458a_100011217309_100000708592 [0,2,0,0,0,0|1,1,0]=4 2922 B16R2.2849 O=C(Cc1ccco1)Cc2ccc(s2)Cl 1458a_100011217309_100000185097 [0,2,0,0,0,0|1,1,0]=4 2923 B16R2.2850 Brc1ccc(o1)CNCc2occc2Br 270004a_100000708654_100000756499 [0,2,0,0,0,0|1,0,0]=3 2924 B16R2.2850 Brc1ccc(o1)CNCc2sccc2Br 207a_100000708654_100000766043 [0,2,0,0,0,0|1,1,0]=4 2925 B16R2.2850 Brc1ccc(o1)CNCc2sccc2Br 270004a_100000708654_100000766043 [0,2,0,0,0,0|1,1,0]=4 2926 B16R2.2850 Brc1ccc(s1)CNCc2occc2Br 270004a_100000737305_100000756499 [0,2,0,0,0,0|1,1,0]=4 2927 B16R2.2850 Brc1csc(c1)CNCc2occc2Br 270004a_100000741024_100000756499 [0,2,0,0,0,0|1,1,0]=4 2928 B16R2.2850 Cc1cc(on1)CNCc2occc2Br 270004a_100000745748_100000756499 [0,2,0,0,0,0|2,0,0]=4 2929 B16R2.2850 Cc1cc(on1)CNCc2occc2C 207a_100000745748_100000763527 [0,2,0,0,0,0|2,0,0]=4 2930 B16R2.2850 Cc1cc(on1)CNCc2occc2C 270004a_100000745748_100000763527 [0,2,0,0,0,0|2,0,0]=4 2931 B16R2.2850 Cc1cc(on1)COCc2occc2C 34a_100011273948_100000707947 [0,2,0,0,0,0|1,1,0]=4 2932 B16R2.2850 Cc1cc(on1)COCc2occc2C 7a_100011273948_100000707947 [0,2,0,0,0,0|1,1,0]=4 2933 B16R2.2850 Cc1ccc(o1)CNCc2cccn2C 270004a_100011194323_100000211633 [0,2,0,0,0,0|2,0,0]=4 2934 B16R2.2850 Cc1ccc(o1)CNCc2occc2Br 270004a_100011194323_100000756499 [0,2,0,0,0,0|1,0,0]=3 2935 B16R2.2850 Cc1ccc(o1)CNCc2occc2C 207a_100011194323_100000763527 [0,2,0,0,0,0|1,0,0]=3 2936 B16R2.2850 Cc1ccc(o1)CNCc2occc2C 270004a_100011194323_100000763527 [0,2,0,0,0,0|1,0,0]=3 2937 B16R2.2850 Cc1ccc(o1)CNCc2sccc2Br 207a_100011194323_100000766043 [0,2,0,0,0,0|1,1,0]=4 2938 B16R2.2850 Cc1ccc(o1)CNCc2sccc2Br 270004a_100011194323_100000766043 [0,2,0,0,0,0|1,1,0]=4 2939 B16R2.2850 Cc1ccc(o1)CNCc2sccc2C 207a_100000238519_100000183696 [0,2,0,0,0,0|1,1,0]=4 2940 B16R2.2850 Cc1ccc(o1)CNCc2sccc2C 207a_100011194323_100000210881 [0,2,0,0,0,0|1,1,0]=4 2941 B16R2.2850 Cc1ccc(o1)CNCc2sccc2C 270004a_100000238519_100000183696 [0,2,0,0,0,0|1,1,0]=4 2942 B16R2.2850 Cc1ccc(o1)CNCc2sccc2C 270004a_100011194323_100000210881 [0,2,0,0,0,0|1,1,0]=4 2943 B16R2.2850 Cc1ccc(o1)CNCc2sccc2Cl 207a_100011194323_100000722334 [0,2,0,0,0,0|1,1,0]=4 2944 B16R2.2850 Cc1ccc(o1)CNCc2sccc2Cl 207a_100011934584_100000183696 [0,2,0,0,0,0|1,1,0]=4 2945 B16R2.2850 Cc1ccc(o1)CNCc2sccc2Cl 270004a_100011194323_100000722334 [0,2,0,0,0,0|1,1,0]=4 2946 B16R2.2850 Cc1ccc(o1)CNCc2sccc2Cl 270004a_100011934584_100000183696 [0,2,0,0,0,0|1,1,0]=4 2947 B16R2.2850 Cc1ccc(s1)CNCc2occc2Br 270004a_100000238518_100000756499 [0,2,0,0,0,0|1,1,0]=4 2948 B16R2.2850 Cc1ccc(s1)CNCc2occc2C 207a_100000238518_100000763527 [0,2,0,0,0,0|1,1,0]=4 2949 B16R2.2850 Cc1ccc(s1)CNCc2occc2C 270004a_100000238518_100000763527 [0,2,0,0,0,0|1,1,0]=4 2950 B16R2.2850 Cc1ccoc1CNCc2cc(cs2)Br 207a_100000741024_100000763527 [0,2,0,0,0,0|1,1,0]=4 2951 B16R2.2850 Cc1ccoc1CNCc2cc(cs2)Br 270004a_100000741024_100000763527 [0,2,0,0,0,0|1,1,0]=4 2952 B16R2.2850 Cc1ccoc1CNCc2cc(no2)Br 207a_100015193020_100000763527 [0,2,0,0,0,0|2,0,0]=4 2953 B16R2.2850 Cc1ccoc1CNCc2ccc(o2)Br 207a_100000708654_100000763527 [0,2,0,0,0,0|1,0,0]=3 2954 B16R2.2850 Cc1ccoc1CNCc2ccc(o2)Br 270004a_100000708654_100000763527 [0,2,0,0,0,0|1,0,0]=3 2955 B16R2.2850 Cc1ccoc1CNCc2ccc(s2)Br 207a_100000737305_100000763527 [0,2,0,0,0,0|1,1,0]=4 2956 B16R2.2850 Cc1ccoc1CNCc2ccc(s2)Br 270004a_100000737305_100000763527 [0,2,0,0,0,0|1,1,0]=4 2957 B16R2.2850 Cc1ccoc1CNCc2ccc(s2)Cl 207a_100000737310_100000763527 [0,2,0,0,0,0|1,1,0]=4 2958 B16R2.2850 Cc1ccoc1CNCc2ccc(s2)Cl 270004a_100000737310_100000763527 [0,2,0,0,0,0|1,1,0]=4 2959 B16R2.2850 Cc1ccoc1COCc2cc(cs2)Br 34a_100011273948_100000746031 [0,2,0,0,0,0|0,2,0]=4 2960 B16R2.2850 Cc1ccoc1COCc2cc(cs2)Br 7a_100011273948_100000746031 [0,2,0,0,0,0|0,2,0]=4 2961 B16R2.2850 Cc1ccoc1COCc2cc(no2)Br 7a_100011273948_100000709089 [0,2,0,0,0,0|1,1,0]=4 2962 B16R2.2850 Cc1ccoc1COCc2ccc(s2)Br 34a_100011273948_100000708592 [0,2,0,0,0,0|0,2,0]=4 2963 B16R2.2850 Cc1ccoc1COCc2ccc(s2)Br 7a_100011273948_100000708592 [0,2,0,0,0,0|0,2,0]=4 2964 B16R2.2850 Cc1ccoc1COCc2ccc(s2)Cl 34a_100011273948_100000185097 [0,2,0,0,0,0|0,2,0]=4 2965 B16R2.2850 Cc1ccoc1COCc2ccc(s2)Cl 7a_100011273948_100000185097 [0,2,0,0,0,0|0,2,0]=4 2966 B16R2.2850 Cc1ccsc1CNCc2cc(co2)Br 270004a_100000238519_100000747035 [0,2,0,0,0,0|1,1,0]=4 2967 B16R2.2850 Cc1ccsc1CNCc2ccc(o2)Br 207a_100000238519_100000185145 [0,2,0,0,0,0|1,1,0]=4 2968 B16R2.2850 Cc1ccsc1CNCc2ccc(o2)Br 207a_100000708654_100000210881 [0,2,0,0,0,0|1,1,0]=4 2969 B16R2.2850 Cc1ccsc1CNCc2ccc(o2)Br 270004a_100000238519_100000185145 [0,2,0,0,0,0|1,1,0]=4 2970 B16R2.2850 Cc1ccsc1CNCc2ccc(o2)Br 270004a_100000708654_100000210881 [0,2,0,0,0,0|1,1,0]=4 2971 B16R2.2850 Cc1ccsc1CNCc2ccc(o2)Cl 207a_100000238519_100000188459 [0,2,0,0,0,0|1,1,0]=4 2972 B16R2.2850 Cc1ccsc1CNCc2ccc(o2)Cl 270004a_100000238519_100000188459 [0,2,0,0,0,0|1,1,0]=4 2973 B16R2.2850 Cc1ccsc1CNCc2ccc(o2)I 207a_100000238519_100000186757 [0,2,0,0,0,0|1,1,0]=4 2974 B16R2.2850 Cc1cnc(o1)CNCc2occc2C 207a_100138411809_100000763527 [0,2,0,0,0,0|2,0,0]=4 2975 B16R2.2850 Cc1csc(c1)CNCc2occc2Br 270004a_100015204214_100000756499 [0,2,0,0,0,0|1,1,0]=4 2976 B16R2.2850 Cc1csc(c1)CNCc2occc2C 207a_100015204214_100000763527 [0,2,0,0,0,0|1,1,0]=4 2977 B16R2.2850 Cc1csc(c1)CNCc2occc2C 270004a_100015204214_100000763527 [0,2,0,0,0,0|1,1,0]=4 2978 B16R2.2850 Clc1ccc(o1)CNCc2sccc2Cl 207a_100011934584_100000188459 [0,2,0,0,0,0|1,1,0]=4 2979 B16R2.2850 Clc1ccc(o1)CNCc2sccc2Cl 270004a_100011934584_100000188459 [0,2,0,0,0,0|1,1,0]=4 2980 B16R2.2850 Clc1ccc(s1)CNCc2occc2Br 270004a_100000737310_100000756499 [0,2,0,0,0,0|1,1,0]=4 2981 B16R2.2850 Clc1ccsc1CNCc2cc(co2)Br 270004a_100011934584_100000747035 [0,2,0,0,0,0|1,1,0]=4 2982 B16R2.2850 Clc1ccsc1CNCc2ccc(o2)Br 207a_100000708654_100000722334 [0,2,0,0,0,0|1,1,0]=4 2983 B16R2.2850 Clc1ccsc1CNCc2ccc(o2)Br 207a_100011934584_100000185145 [0,2,0,0,0,0|1,1,0]=4 2984 B16R2.2850 Clc1ccsc1CNCc2ccc(o2)Br 270004a_100000708654_100000722334 [0,2,0,0,0,0|1,1,0]=4 2985 B16R2.2850 Clc1ccsc1CNCc2ccc(o2)Br 270004a_100011934584_100000185145 [0,2,0,0,0,0|1,1,0]=4 2986 B16R2.2850 Clc1ccsc1CNCc2ccc(o2)I 207a_100011934584_100000186757 [0,2,0,0,0,0|1,1,0]=4 2987 B16R2.2850 Cn1cccc1CNCc2ccc(o2)Br 270004a_100000708654_100000211633 [0,2,0,0,0,0|2,0,0]=4 2988 B16R2.2855 CC(NCc1ccco1)c2cc(cs2)Br 207a_100159270200_100000186105 [0,2,0,0,0,0|1,1,0]=4 2989 B16R2.2855 CC(NCc1ccco1)c2cc(cs2)Br 270004a_100159270200_100000186105 [0,2,0,0,0,0|1,1,0]=4 2990 B16R2.2855 CC(NCc1ccco1)c2ccc(s2)Br 207a_100102723530_100000186105 [0,2,0,0,0,0|1,1,0]=4 2991 B16R2.2855 CC(NCc1ccco1)c2ccc(s2)Br 270004a_100102723530_100000186105 [0,2,0,0,0,0|1,1,0]=4 2992 B16R2.2855 CC(NCc1ccco1)c2ccc(s2)Cl 207a_100102723459_100000186105 [0,2,0,0,0,0|1,1,0]=4 2993 B16R2.2855 CC(NCc1ccco1)c2ccc(s2)Cl 270004a_100102723459_100000186105 [0,2,0,0,0,0|1,1,0]=4 2994 B16R2.2855 Cc1ccc(o1)C(C)NCc2cccs2 269862a_100000211653_100000204583 [0,2,0,0,0,0|1,1,0]=4 2995 B16R2.2855 Cc1ccc(o1)C(C)NCc2cnco2 269862a_100020634212_100000204583 [0,2,0,0,0,0|2,0,0]=4 2996 B16R2.2855 Cc1coc(n1)C(C)NCc2ccco2 270004a_100000185738_100009826828 [0,2,0,0,0,0|2,0,0]=4 2997 B16R2.2887 Brc1cc(oc1Br)CNCc2ccco2 207a_100000185738_100000188521 [0,2,0,0,0,0|1,0,0]=3 2998 B16R2.2887 Brc1cc(oc1Br)CNCc2ccco2 270004a_100000185738_100000188521 [0,2,0,0,0,0|1,0,0]=3 2999 B16R2.2887 Brc1cc(oc1Br)CNCc2cccs2 207a_100000211653_100000188521 [0,2,0,0,0,0|1,1,0]=4 3000 B16R2.2887 Brc1cc(oc1Br)CNCc2cccs2 270004a_100000211653_100000188521 [0,2,0,0,0,0|1,1,0]=4 3001 B16R2.2887 Brc1cc(oc1Br)CNCc2cnco2 207a_100020634212_100000188521 [0,2,0,0,0,0|2,0,0]=4 3002 B16R2.2887 Brc1cc(oc1Br)CNCc2cnco2 270004a_100020634212_100000188521 [0,2,0,0,0,0|2,0,0]=4 3003 B16R2.2887 Brc1cc(oc1Br)CNCc2ncco2 207a_100016994969_100000188521 [0,2,0,0,0,0|2,0,0]=4 3004 B16R2.2887 Brc1cc(sc1Br)CNCc2ccco2 207a_100000185738_100000763650 [0,2,0,0,0,0|1,1,0]=4 3005 B16R2.2887 Brc1cc(sc1Br)CNCc2ccco2 270004a_100000185738_100000763650 [0,2,0,0,0,0|1,1,0]=4 3006 B16R2.2887 Cc1cc(sc1Br)CNCc2ccco2 207a_100000185738_100000761930 [0,2,0,0,0,0|1,1,0]=4 3007 B16R2.2887 Cc1cc(sc1Br)CNCc2ccco2 270004a_100000185738_100000761930 [0,2,0,0,0,0|1,1,0]=4 3008 B16R2.2887 Cc1cc(sc1C)CNCc2ccco2 207a_100000185738_100011830369 [0,2,0,0,0,0|1,1,0]=4 3009 B16R2.2887 Cc1cc(sc1C)CNCc2ccco2 270004a_100000185738_100011830369 [0,2,0,0,0,0|1,1,0]=4 3010 B16R2.2887 Cc1sc(cc1Br)CNCc2ccco2 207a_100000185738_100000708457 [0,2,0,0,0,0|1,1,0]=4 3011 B16R2.2887 Cc1sc(cc1Br)CNCc2ccco2 270004a_100000185738_100000708457 [0,2,0,0,0,0|1,1,0]=4 3012 B16R2.11830 Cc1cc(c(s1)CNCc2ccco2)Br 207a_100000185738_100011361552 [0,2,0,0,0,0|1,1,0]=4 3013 B16R2.11830 Cc1cc(c(s1)CNCc2ccco2)Br 270004a_100000185738_100011361552 [0,2,0,0,0,0|1,1,0]=4 3014 B16R2.11830 Cc1cc(sc1CNCc2ccco2)Br 207a_100000185738_100010221198 [0,2,0,0,0,0|1,1,0]=4 3015 B16R2.11830 Cc1cc(sc1CNCc2ccco2)Br 270004a_100000185738_100010221198 [0,2,0,0,0,0|1,1,0]=4 3016 B16R2.11830 Cc1nc(c(o1)CNCc2ccco2)C 207a_100000185738_100000734261 [0,2,0,0,0,0|2,0,0]=4 3017 B16R2.11830 Cc1oc(=O)oc1CSCc2ncco2 62a_103436540062_100000068490 [0,2,0,0,0,0|2,0,0]=4 3018 B16R2.11830 Clc1cc(c(s1)CNCc2ccco2)Br 207a_100000185738_100021366026 [0,2,0,0,0,0|1,1,0]=4 3019 B16R2.11830 Clc1cc(c(s1)CNCc2ccco2)Br 270004a_100000185738_100021366026 [0,2,0,0,0,0|1,1,0]=4 3020 B16R2.11830 Clc1cc(sc1CNCc2ccco2)Br 207a_100000185738_100015463987 [0,2,0,0,0,0|1,1,0]=4 3021 B16R2.11830 Clc1cc(sc1CNCc2ccco2)Br 270004a_100000185738_100015463987 [0,2,0,0,0,0|1,1,0]=4 3022 B16R2.12056 Brc1csc(c1Br)CNCc2ccco2 207a_100000185738_100012354027 [0,2,0,0,0,0|1,1,0]=4 3023 B16R2.12056 Cc1ccc(n1C)CNCc2ccco2 270004a_100000744627_100000186105 [0,2,0,0,0,0|2,0,0]=4 3024 B16R2.2533 CCn1cccc1CNCc2ccco2 270004a_100000185738_100011302050 [0,2,0,0,0,0|2,0,0]=4 3025 B16R2.2533 COc1ccoc1CNCc2ccco2 207a_100000185738_200009856553 [0,2,0,0,0,0|1,0,0]=3 3026 B16R2.2533 COc1ccoc1CNCc2ccco2 270004a_100000185738_200009856553 [0,2,0,0,0,0|1,0,0]=3 3027 B16R2.2533 COc1ccoc1CNCc2cccs2 207a_100000211653_200009856553 [0,2,0,0,0,0|1,1,0]=4 3028 B16R2.2533 COc1ccoc1CNCc2cccs2 270004a_100000211653_200009856553 [0,2,0,0,0,0|1,1,0]=4 3029 B16R2.2533 COc1ccoc1CNCc2cnco2 207a_100020634212_200009856553 [0,2,0,0,0,0|2,0,0]=4 3030 B16R2.2533 COc1ccoc1CNCc2cnco2 270004a_100020634212_200009856553 [0,2,0,0,0,0|2,0,0]=4 3031 B16R2.2533 COc1ccoc1CNCc2ncco2 207a_100016994969_200009856553 [0,2,0,0,0,0|2,0,0]=4 3032 B16R2.2533 COc1ccsc1CNCc2ccco2 207a_100000185738_100000689126 [0,2,0,0,0,0|1,1,0]=4 3033 B16R2.2533 COc1ccsc1CNCc2ccco2 270004a_100000185738_100000689126 [0,2,0,0,0,0|1,1,0]=4 3034 B16R2.3017 CC(NCc1occc1Br)c2cccs2 270004a_100000703493_100000756499 [0,2,0,0,0,0|1,1,0]=4 3035 B16R2.3017 C[C@@H](NCc1cccn1C)c2ccco2 270004a_100160469435_100000211633 [0,2,0,0,0,0|2,0,0]=4 3036 B16R2.3017 C[C@@H](NCc1occc1Br)c2ccco2 270004a_100160469435_100000756499 [0,2,0,0,0,0|1,0,0]=3 3037 B16R2.3017 C[C@@H](NCc1sccc1Br)c2ccco2 207a_100160469435_100000766043 [0,2,0,0,0,0|1,1,0]=4 3038 B16R2.3017 C[C@@H](NCc1sccc1Br)c2ccco2 270004a_100160469435_100000766043 [0,2,0,0,0,0|1,1,0]=4 3039 B16R2.3017 C[C@@H](NCc1sccc1Cl)c2ccco2 207a_100160469435_100000722334 [0,2,0,0,0,0|1,1,0]=4 3040 B16R2.3017 C[C@@H](NCc1sccc1Cl)c2ccco2 270004a_100160469435_100000722334 [0,2,0,0,0,0|1,1,0]=4 3041 B16R2.3017 Cc1ccoc1CNC(C)c2cccs2 207a_100000703493_100000763527 [0,2,0,0,0,0|1,1,0]=4 3042 B16R2.3017 Cc1ccoc1CNC(C)c2cccs2 270004a_100000703493_100000763527 [0,2,0,0,0,0|1,1,0]=4 3043 B16R2.3017 Cc1ccoc1CN[C@H](C)c2ccco2 207a_100160469435_100000763527 [0,2,0,0,0,0|1,0,0]=3 3044 B16R2.3017 Cc1ccoc1CN[C@H](C)c2ccco2 270004a_100160469435_100000763527 [0,2,0,0,0,0|1,0,0]=3 3045 B16R2.3017 Cc1ccsc1CN[C@H](C)c2ccco2 207a_100160469435_100000210881 [0,2,0,0,0,0|1,1,0]=4 3046 B16R2.3017 Cc1ccsc1CN[C@H](C)c2ccco2 270004a_100160469435_100000210881 [0,2,0,0,0,0|1,1,0]=4 3047 B16R2.3019 CN(Cc1ccco1)Cc2cccn2C 270004a_100000185268_100000211633 [0,2,0,0,0,0|2,0,0]=4 3048 B16R2.3019 CN(Cc1ccco1)Cc2cccn2C 270004a_100000188278_100000186105 [0,2,0,0,0,0|2,0,0]=4 3049 B16R2.3019 CN(Cc1ccco1)Cc2occc2Br 270004a_100000185268_100000756499 [0,2,0,0,0,0|1,0,0]=3 3050 B16R2.3019 CN(Cc1ccco1)Cc2sccc2Br 270004a_100000185268_100000766043 [0,2,0,0,0,0|1,1,0]=4 3051 B16R2.3019 CN(Cc1ccco1)Cc2sccc2Br 270004a_100000767120_100000186105 [0,2,0,0,0,0|1,1,0]=4 3052 B16R2.3019 CN(Cc1ccco1)Cc2sccc2Cl 270004a_100000185268_100000722334 [0,2,0,0,0,0|1,1,0]=4 3053 B16R2.3019 CN(Cc1cccs1)Cc2occc2Br 270004a_100000184426_100000756499 [0,2,0,0,0,0|1,1,0]=4 3054 B16R2.3019 Cc1ccoc1CN(C)Cc2ccco2 270004a_100000185268_100000763527 [0,2,0,0,0,0|1,0,0]=3 3055 B16R2.3019 Cc1ccoc1CN(C)Cc2ccco2 270004a_100000734364_100000186105 [0,2,0,0,0,0|1,0,0]=3 3056 B16R2.3019 Cc1ccoc1CN(C)Cc2cccs2 270004a_100000184426_100000763527 [0,2,0,0,0,0|1,1,0]=4 3057 B16R2.3019 Cc1ccoc1CN(C)Cc2cccs2 270004a_100000734364_100000209959 [0,2,0,0,0,0|1,1,0]=4 3058 B16R2.3019 Cc1ccoc1CN(C)Cc2cnco2 270004a_100000734364_100000064291 [0,2,0,0,0,0|2,0,0]=4 3059 B16R2.3019 Cc1ccoc1CN(C)Cc2ncco2 2230a_100000734364_103436540062 [0,2,0,0,0,0|2,0,0]=4 3060 B16R2.3019 Cc1ccoc1CN(C)Cc2ncco2 269982a_100000734364_103436540062 [0,2,0,0,0,0|2,0,0]=4 3061 B16R2.3019 Cc1ccoc1CN(C)Cc2ncco2 270004a_100000734364_100000064290 [0,2,0,0,0,0|2,0,0]=4 3062 B16R2.3019 Cc1ccsc1CN(C)Cc2ccco2 270004a_100000185268_100000210881 [0,2,0,0,0,0|1,1,0]=4 3063 B16R2.3019 Cc1ccsc1CN(C)Cc2ccco2 270004a_100000695154_100000186105 [0,2,0,0,0,0|1,1,0]=4 3064 B16R2.3222 Cc1ccoc1CNCc2sccc2C 207a_100000238519_100000763527 [0,2,0,0,0,0|1,1,0]=4 3065 B16R2.3222 Cc1ccoc1CNCc2sccc2C 270004a_100000238519_100000763527 [0,2,0,0,0,0|1,1,0]=4 3066 B16R2.3222 Cc1ccoc1CNCc2sccc2Cl 207a_100011934584_100000763527 [0,2,0,0,0,0|1,1,0]=4 3067 B16R2.3222 Cc1ccoc1CNCc2sccc2Cl 270004a_100011934584_100000763527 [0,2,0,0,0,0|1,1,0]=4 3068 B16R2.3222 Cc1ccsc1CNCc2occc2Br 270004a_100000238519_100000756499 [0,2,0,0,0,0|1,1,0]=4 3069 B16R2.3222 Clc1ccsc1CNCc2occc2Br 270004a_100011934584_100000756499 [0,2,0,0,0,0|1,1,0]=4 3070 B16R2.525 CC(c1ccco1)N(C)Cc2ccco2 270004a_100000232712_100000186105 [0,2,0,0,0,0|1,0,0]=3 3071 B16R2.525 CC(c1ccco1)N(C)Cc2cccs2 270004a_100000232712_100000209959 [0,2,0,0,0,0|1,1,0]=4 3072 B16R2.525 CC(c1ccco1)N(C)Cc2cnco2 270004a_100000232712_100000064291 [0,2,0,0,0,0|2,0,0]=4 3073 B16R2.525 CC(c1ccco1)N(C)Cc2ncco2 2230a_100000232712_103436540062 [0,2,0,0,0,0|2,0,0]=4 3074 B16R2.525 CC(c1ccco1)N(C)Cc2ncco2 269982a_100000232712_103436540062 [0,2,0,0,0,0|2,0,0]=4 3075 B16R2.525 CC(c1ccco1)N(C)Cc2ncco2 270004a_100000232712_100000064290 [0,2,0,0,0,0|2,0,0]=4 3076 B16R2.525 CC(c1cccs1)N(C)Cc2ccco2 270004a_100000186410_100000186105 [0,2,0,0,0,0|1,1,0]=4 3077 B16R2.687 CCN(Cc1ccco1)Cc2ccco2 2230a_100015185892_100000210202 [0,2,0,0,0,0|1,0,0]=3 3078 B16R2.687 CCN(Cc1ccco1)Cc2ccco2 269982a_100015185892_100000204670 [0,2,0,0,0,0|1,0,0]=3 3079 B16R2.687 CCN(Cc1ccco1)Cc2ccco2 270004a_100000739255_100000186105 [0,2,0,0,0,0|1,0,0]=3 3080 B16R2.687 CCN(Cc1ccco1)Cc2cccs2 2230a_100000184478_100000210202 [0,2,0,0,0,0|1,1,0]=4 3081 B16R2.687 CCN(Cc1ccco1)Cc2cccs2 269982a_100000184478_100000204670 [0,2,0,0,0,0|1,1,0]=4 3082 B16R2.687 CCN(Cc1ccco1)Cc2cccs2 270004a_100000739255_100000209959 [0,2,0,0,0,0|1,1,0]=4 3083 B16R2.687 CCN(Cc1ccco1)Cc2cccs2 270004a_100025770963_100000186105 [0,2,0,0,0,0|1,1,0]=4 3084 B16R2.687 CCN(Cc1ccco1)Cc2cnco2 270004a_100000739255_100000064291 [0,2,0,0,0,0|2,0,0]=4 3085 B16R2.687 CCN(Cc1ccco1)Cc2ncco2 2230a_100000739255_103436540062 [0,2,0,0,0,0|2,0,0]=4 3086 B16R2.687 CCN(Cc1ccco1)Cc2ncco2 269982a_100000739255_103436540062 [0,2,0,0,0,0|2,0,0]=4 3087 B16R2.687 CCN(Cc1ccco1)Cc2ncco2 270004a_100000739255_100000064290 [0,2,0,0,0,0|2,0,0]=4 3088 B16R2.687 FCN(Cc1ccco1)Cc2ccco2 269982a_100015185892_100015361967 [0,2,0,0,0,0|1,0,0]=3 3089 B16R2.687 FCN(Cc1ccco1)Cc2cccs2 269982a_100000184478_100015361967 [0,2,0,0,0,0|1,1,0]=4 3090 B16R2.10950 CCC(NCc1ccco1)c2ccco2 207a_100015202707_100000186105 [0,2,0,0,0,0|1,0,0]=3 3091 B16R2.10950 CCC(NCc1ccco1)c2ccco2 270004a_100015202707_100000186105 [0,2,0,0,0,0|1,0,0]=3 3092 B16R2.10950 CCC(NCc1ccco1)c2cccs2 207a_100000743277_100000186105 [0,2,0,0,0,0|1,1,0]=4 3093 B16R2.10950 CCC(NCc1ccco1)c2cccs2 270004a_100000743277_100000186105 [0,2,0,0,0,0|1,1,0]=4 3094 B16R2.10950 CCC(NCc1cccs1)c2ccco2 207a_100015202707_100000209959 [0,2,0,0,0,0|1,1,0]=4 3095 B16R2.10950 CCC(NCc1cccs1)c2ccco2 269862a_100000211653_100000749595 [0,2,0,0,0,0|1,1,0]=4 3096 B16R2.10950 CCC(NCc1cccs1)c2ccco2 270004a_100015202707_100000209959 [0,2,0,0,0,0|1,1,0]=4 3097 B16R2.10950 CCC(NCc1cnco1)c2ccco2 269862a_100020634212_100000749595 [0,2,0,0,0,0|2,0,0]=4 3098 B16R2.10950 CCC(NCc1cnco1)c2ccco2 270004a_100015202707_100000064291 [0,2,0,0,0,0|2,0,0]=4 3099 B16R2.10950 CCC(NCc1ncco1)c2ccco2 2230a_100015202707_103436540062 [0,2,0,0,0,0|2,0,0]=4 3100 B16R2.10950 CCC(NCc1ncco1)c2ccco2 270004a_100015202707_100000064290 [0,2,0,0,0,0|2,0,0]=4 3101 B16R2.10950 NCC(OCc1ncco1)c2ccco2 34a_100000738650_103436540062 [0,2,0,0,0,0|1,1,0]=4 3102 B16R2.10950 OCC(NCc1ccco1)c2cccs2 207a_100102422791_100000186105 [0,2,0,0,0,0|1,1,0]=4 3103 B16R2.10950 OCC(NCc1ccco1)c2cccs2 270004a_100102422791_100000186105 [0,2,0,0,0,0|1,1,0]=4 3104 B16R2.11320 CC(N[C@H](C)c1ccco1)c2ccc[nH]2 269862a_100160469435_100000183661 [0,2,0,0,0,0|2,0,0]=4 3105 B16R2.11320 CC(N[C@H](C)c1ccco1)c2cccs2 269862a_100160469435_100000185736 [0,2,0,0,0,0|1,1,0]=4 3106 B16R2.82807 CC(C)(NCc1ccco1)c2cccs2 207a_100000757009_100000186105 [0,2,0,0,0,0|1,1,0]=4 3107 B16R2.82807 CC(C)(NCc1ccco1)c2cccs2 270004a_100000757009_100000186105 [0,2,0,0,0,0|1,1,0]=4 3108 B16R2.82807 O=S(=O)(NCc1ccco1)c2ccco2 270084a_100000185738_200000702926 [0,2,0,0,0,0|2,0,0]=4 3109 B16R2.82807 O=S(=O)(NCc1ccco1)c2ccco2 274078a_100000185738_200000702926 [0,2,0,0,0,0|2,0,0]=4 3110 B12R0.285 C=COC(=O)CSCC(=O)OC=C 62a_100000036128_100000036128 [0,0,2,0,0,0|2,0,0]=4 3111 B12R1.51 C=CCC(=O)CCc1ccco1 1458a_100000185103_100000210623 [0,0,1,0,1,0|0,0,2]=4 3112 B12R1.51 C=COC(=O)CSc1ccco1 62a_100000036128_100009814098 [0,0,1,0,1,0|1,0,0]=3 3113 B12R1.51 C=COC(=O)CSc1ccco1 62a_100009814098_100000036128 [0,0,1,0,1,0|1,0,0]=3 3114 B12R1.51 C=COC(=O)CSc1cccs1 62a_100000036128_100011215356 [0,0,1,0,1,0|1,1,0]=4 3115 B12R1.51 C=COC(=O)CSc1cccs1 62a_100011215356_100000036128 [0,0,1,0,1,0|1,1,0]=4 3116 B12R1.51 C=COC(=O)CSc1cnco1 62a_100000036128_100020591547 [0,0,1,0,1,0|2,0,0]=4 3117 B12R1.51 C=COC(=O)CSc1cnco1 62a_100020591547_100000036128 [0,0,1,0,1,0|2,0,0]=4 3118 B12R1.51 C=COC(=O)CSc1ncco1 62a_100000036128_100011787736 [0,0,1,0,1,0|2,0,0]=4 3119 B12R1.51 C=COC(=O)CSc1ncco1 62a_100011787736_100000036128 [0,0,1,0,1,0|2,0,0]=4 3120 B12R2.98 c1coc(c1)Sc2c[nH]cn2 62a_100000756875_100009814098 [0,0,0,0,2,0|2,0,0]=4 3121 B12R2.98 c1coc(c1)Sc2c[nH]cn2 62a_100009814098_100000756875 [0,0,0,0,2,0|2,0,0]=4 3122 B12R2.98 c1coc(c1)Sc2cc[nH]n2 62a_100000062575_100009814098 [0,0,0,0,2,0|2,0,0]=4 3123 B12R2.98 c1coc(c1)Sc2cc[nH]n2 62a_100009814098_100000062575 [0,0,0,0,2,0|2,0,0]=4 3124 B12R2.98 c1coc(c1)Sc2ccco2 62a_100009814098_100009814098 [0,0,0,0,2,0|0,0,0]=2 3125 B12R2.98 c1coc(c1)Sc2cccs2 62a_100009814098_100011215356 [0,0,0,0,2,0|0,1,0]=3 3126 B12R2.98 c1coc(c1)Sc2cccs2 62a_100011215356_100009814098 [0,0,0,0,2,0|0,1,0]=3 3127 B12R2.98 c1coc(c1)Sc2ccoc2 62a_100009814098_100011215275 [0,0,0,0,2,0|2,0,0]=4 3128 B12R2.98 c1coc(c1)Sc2ccoc2 62a_100011215275_100009814098 [0,0,0,0,2,0|2,0,0]=4 3129 B12R2.98 c1coc(c1)Sc2ccon2 62a_100009814098_100009818083 [0,0,0,0,2,0|2,0,0]=4 3130 B12R2.98 c1coc(c1)Sc2ccon2 62a_100009818083_100009814098 [0,0,0,0,2,0|2,0,0]=4 3131 B12R2.98 c1coc(c1)Sc2ccsc2 62a_100000738268_100009814098 [0,0,0,0,2,0|2,0,0]=4 3132 B12R2.98 c1coc(c1)Sc2ccsc2 62a_100009814098_100000738268 [0,0,0,0,2,0|2,0,0]=4 3133 B12R2.98 c1coc(c1)Sc2ccsn2 62a_100009814098_100009818082 [0,0,0,0,2,0|2,0,0]=4 3134 B12R2.98 c1coc(c1)Sc2ccsn2 62a_100009818082_100009814098 [0,0,0,0,2,0|2,0,0]=4 3135 B12R2.98 c1coc(c1)Sc2cnco2 62a_100009814098_100020591547 [0,0,0,0,2,0|1,0,0]=3 3136 B12R2.98 c1coc(c1)Sc2cnco2 62a_100020591547_100009814098 [0,0,0,0,2,0|1,0,0]=3 3137 B12R2.98 c1coc(c1)Sc2cncs2 62a_100009814098_100011934649 [0,0,0,0,2,0|1,1,0]=4 3138 B12R2.98 c1coc(c1)Sc2cncs2 62a_100011934649_100009814098 [0,0,0,0,2,0|1,1,0]=4 3139 B12R2.98 c1coc(c1)Sc2cscn2 62a_100000751502_100009814098 [0,0,0,0,2,0|2,0,0]=4 3140 B12R2.98 c1coc(c1)Sc2cscn2 62a_100009814098_100000751502 [0,0,0,0,2,0|2,0,0]=4 3141 B12R2.98 c1coc(c1)Sc2ncc[nH]2 62a_100009814098_100025796157 [0,0,0,0,2,0|2,0,0]=4 3142 B12R2.98 c1coc(c1)Sc2ncc[nH]2 62a_100025796157_100009814098 [0,0,0,0,2,0|2,0,0]=4 3143 B12R2.98 c1coc(c1)Sc2ncco2 62a_100009814098_100011787736 [0,0,0,0,2,0|1,0,0]=3 3144 B12R2.98 c1coc(c1)Sc2ncco2 62a_100011787736_100009814098 [0,0,0,0,2,0|1,0,0]=3 3145 B12R2.98 c1coc(c1)Sc2nccs2 62a_100000211983_100009814098 [0,0,0,0,2,0|1,1,0]=4 3146 B12R2.98 c1coc(c1)Sc2nccs2 62a_100009814098_100000211983 [0,0,0,0,2,0|1,1,0]=4 3147 B12R2.98 c1coc(n1)Sc2cnco2 62a_100011787736_100020591547 [0,0,0,0,2,0|2,0,0]=4 3148 B12R2.98 c1coc(n1)Sc2cnco2 62a_100020591547_100011787736 [0,0,0,0,2,0|2,0,0]=4 3149 B12R2.98 c1coc(n1)Sc2ncco2 62a_100011787736_100011787736 [0,0,0,0,2,0|2,0,0]=4 3150 B12R2.98 c1csc(c1)Sc2cccs2 62a_100011215356_100011215356 [0,0,0,0,2,0|0,2,0]=4 3151 B12R2.98 c1csc(c1)Sc2cnco2 62a_100011215356_100020591547 [0,0,0,0,2,0|1,1,0]=4 3152 B12R2.98 c1csc(c1)Sc2cnco2 62a_100020591547_100011215356 [0,0,0,0,2,0|1,1,0]=4 3153 B12R2.98 c1csc(c1)Sc2ncco2 62a_100011215356_100011787736 [0,0,0,0,2,0|1,1,0]=4 3154 B12R2.98 c1csc(c1)Sc2ncco2 62a_100011787736_100011215356 [0,0,0,0,2,0|1,1,0]=4 3155 B12R2.98 c1ncc(o1)Sc2cnco2 62a_100020591547_100020591547 [0,0,0,0,2,0|2,0,0]=4 3156 B14R1.520 C=COC(=O)CSCc1ccccc1 62a_100000036128_100015291786 [0,0,1,0,0,1|2,0,0]=4 3157 B14R1.520 C=COC(=O)CSCc1ccccc1 62a_100000211182_100000036128 [0,0,1,0,0,1|2,0,0]=4 3158 B14R1.520 C=COC(=O)CSCc1ccccn1 62a_100000036128_100000721315 [0,0,1,0,0,1|2,0,0]=4 3159 B14R1.520 C=COC(=O)CSCc1ccccn1 62a_100000721315_100000036128 [0,0,1,0,0,1|2,0,0]=4 3160 B14R1.520 C=COC(=O)CSCc1cccnc1 62a_100000036128_100000741622 [0,0,1,0,0,1|2,0,0]=4 3161 B14R1.520 C=COC(=O)CSCc1cccnc1 62a_100000741622_100000036128 [0,0,1,0,0,1|2,0,0]=4 3162 B14R1.520 C=COC(=O)CSCc1cccnn1 62a_100000036128_100016990269 [0,0,1,0,0,1|2,0,0]=4 3163 B14R1.520 C=COC(=O)CSCc1cccnn1 62a_100016990269_100000036128 [0,0,1,0,0,1|2,0,0]=4 3164 B14R1.520 C=COC(=O)CSCc1ccncc1 62a_100000036128_100015193705 [0,0,1,0,0,1|2,0,0]=4 3165 B14R1.520 C=COC(=O)CSCc1ccncc1 62a_100015193705_100000036128 [0,0,1,0,0,1|2,0,0]=4 3166 B14R1.520 C=COC(=O)CSCc1cnccn1 62a_100000036128_100016995436 [0,0,1,0,0,1|2,0,0]=4 3167 B14R1.520 C=COC(=O)CSCc1cnccn1 62a_100016995436_100000036128 [0,0,1,0,0,1|2,0,0]=4 3168 B14R1.520 C=COC(=O)CSCc1ncccn1 62a_100000036128_100000703007 [0,0,1,0,0,1|2,0,0]=4 3169 B14R1.520 C=COC(=O)CSCc1ncccn1 62a_100000703007_100000036128 [0,0,1,0,0,1|2,0,0]=4 3170 B16R2.2255 C(=Cc1ccco1)CNCc2ccco2 270004a_100000185738_100000185671 [0,0,0,0,0,2|1,0,0]=3 3171 B16R2.2255 C(=Cc1ccco1)CNCc2cccs2 270004a_100000211653_100000185671 [0,0,0,0,0,2|1,1,0]=4 3172 B16R2.2255 C(=Cc1ccco1)CNCc2cnco2 270004a_100020634212_100000185671 [0,0,0,0,0,2|2,0,0]=4 3173 B16R2.2255 c1coc(c1)CCNCCc2cccs2 2230a_100000694680_100000748579 [0,0,0,0,0,2|1,1,0]=4 3174 B16R2.2255 c1coc(c1)CCNCCc2cccs2 34a_100000694680_100000748579 [0,0,0,0,0,2|1,1,0]=4 3175 B16R2.2255 c1coc(c1)CNCCCc2cccs2 2230a_100000185738_100010992444 [0,0,0,0,0,2|1,1,0]=4 3176 B16R2.2255 c1coc(c1)CNCCCc2cccs2 34a_100000185738_100010992444 [0,0,0,0,0,2|1,1,0]=4 3177 B16R2.2255 c1coc(c1)COCCCc2cccs2 34a_100000210059_100010992444 [0,0,0,0,0,2|0,2,0]=4 3178 B16R2.2255 c1csc(c1)CCCSCc2ncco2 62a_100010992444_103436540062 [0,0,0,0,0,2|1,1,0]=4 3179 B16R2.2255 c1csc(c1)CCCSCc2ncco2 62a_103436540062_100010992444 [0,0,0,0,0,2|1,1,0]=4 3180 B16R2.2255 c1csc(c1)CCSCCc2cccs2 62a_100000748579_100000748579 [0,0,0,0,0,2|0,2,0]=4 3181 B16R2.2257 c1cc(ccn1)CCSCc2ncco2 62a_100000723409_103436540062 [0,0,0,0,0,2|2,0,0]=4 3182 B16R2.2257 c1cc(ccn1)CCSCc2ncco2 62a_103436540062_100000723409 [0,0,0,0,0,2|2,0,0]=4 3183 B16R2.2257 c1ccc(cc1)CCCSc2ccco2 62a_100000211621_100009814098 [0,0,0,0,0,2|2,0,0]=4 3184 B16R2.2257 c1ccc(cc1)CCCSc2ccco2 62a_100009814098_100000211621 [0,0,0,0,0,2|2,0,0]=4 3185 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 207a_100000106460_100000186105 [0,0,0,0,0,2|2,0,0]=4 3186 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 2230a_100000185738_100000765856 [0,0,0,0,0,2|2,0,0]=4 3187 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 270004a_100000106460_100000186105 [0,0,0,0,0,2|2,0,0]=4 3188 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 34a_100000185738_100000765856 [0,0,0,0,0,2|2,0,0]=4 3189 B16R2.2257 c1ccc(cc1)CCOCc2ccco2 34a_100000210059_100000765856 [0,0,0,0,0,2|1,1,0]=4 3190 B16R2.2257 c1ccc(cc1)CCSCc2ncco2 62a_100000765856_103436540062 [0,0,0,0,0,2|2,0,0]=4 3191 B16R2.2257 c1ccc(cc1)CCSCc2ncco2 62a_103436540062_100011218657 [0,0,0,0,0,2|2,0,0]=4 3192 B16R2.2257 c1ccc(cc1)CNCCc2ccco2 207a_100000694680_100015611070 [0,0,0,0,0,2|2,0,0]=4 3193 B16R2.2257 c1ccc(cc1)CNCCc2ccco2 2230a_100000694680_100015291786 [0,0,0,0,0,2|2,0,0]=4 3194 B16R2.2257 c1ccc(cc1)CNCCc2ccco2 270004a_100000694680_100015611070 [0,0,0,0,0,2|2,0,0]=4 3195 B16R2.2257 c1ccc(cc1)CNCCc2ccco2 34a_100000694680_100015291786 [0,0,0,0,0,2|2,0,0]=4 3196 B16R2.2257 c1ccc(cc1)COCSc2ccco2 62a_100000763385_100009814098 [0,0,0,0,0,2|1,1,0]=4 3197 B16R2.2257 c1ccc(cc1)COCSc2ccco2 62a_100009814098_100000763385 [0,0,0,0,0,2|1,1,0]=4 3198 B16R2.2257 c1ccc(cc1)CSCCc2cccs2 62a_100000211182_100000748579 [0,0,0,0,0,2|1,1,0]=4 3199 B16R2.2257 c1ccc(cc1)CSCCc2cccs2 62a_100000748579_100015291786 [0,0,0,0,0,2|1,1,0]=4 3200 B16R2.2257 c1ccc(cc1)CSCSc2ccco2 62a_100009814098_200011217039 [0,0,0,0,0,2|1,0,0]=3 3201 B16R2.2257 c1ccc(cc1)CSCSc2ccco2 62a_200011217039_100009814098 [0,0,0,0,0,2|1,0,0]=3 3202 B16R2.2257 c1ccc(cc1)CSCSc2cccs2 62a_100011215356_200011217039 [0,0,0,0,0,2|1,1,0]=4 3203 B16R2.2257 c1ccc(cc1)CSCSc2cccs2 62a_200011217039_100011215356 [0,0,0,0,0,2|1,1,0]=4 3204 B16R2.2257 c1ccc(cc1)CSCSc2cnco2 62a_100020591547_200011217039 [0,0,0,0,0,2|2,0,0]=4 3205 B16R2.2257 c1ccc(cc1)CSCSc2cnco2 62a_200011217039_100020591547 [0,0,0,0,0,2|2,0,0]=4 3206 B16R2.2257 c1ccc(cc1)CSCSc2ncco2 62a_100011787736_200011217039 [0,0,0,0,0,2|2,0,0]=4 3207 B16R2.2257 c1ccc(cc1)CSCSc2ncco2 62a_200011217039_100011787736 [0,0,0,0,0,2|2,0,0]=4 3208 B16R2.2257 c1ccc(cc1)SCNCc2ccco2 2230a_100000185738_100011218342 [0,0,0,0,0,2|2,0,0]=4 3209 B16R2.2257 c1ccc(cc1)SCSCc2ncco2 62a_100011218342_103436540062 [0,0,0,0,0,2|2,0,0]=4 3210 B16R2.2257 c1ccc(cc1)SCSCc2ncco2 62a_103436540062_100011218342 [0,0,0,0,0,2|2,0,0]=4 3211 B16R2.2257 c1ccc(nc1)CCNCc2ccco2 207a_100000211156_100000186105 [0,0,0,0,0,2|2,0,0]=4 3212 B16R2.2257 c1ccc(nc1)CCNCc2ccco2 2230a_100000185738_100015183660 [0,0,0,0,0,2|2,0,0]=4 3213 B16R2.2257 c1ccc(nc1)CCNCc2ccco2 270004a_100000211156_100000186105 [0,0,0,0,0,2|2,0,0]=4 3214 B16R2.2257 c1ccc(nc1)CCSCc2ncco2 62a_100015183660_103436540062 [0,0,0,0,0,2|2,0,0]=4 3215 B16R2.2257 c1ccc(nc1)CCSCc2ncco2 62a_103436540062_100015183660 [0,0,0,0,0,2|2,0,0]=4 3216 B16R2.2257 c1ccc(nc1)CNCCc2ccco2 207a_100000694680_100000209966 [0,0,0,0,0,2|2,0,0]=4 3217 B16R2.2257 c1ccc(nc1)CNCCc2ccco2 2230a_100000694680_100000721315 [0,0,0,0,0,2|2,0,0]=4 3218 B16R2.2257 c1ccc(nc1)CNCCc2ccco2 270004a_100000694680_100000209966 [0,0,0,0,0,2|2,0,0]=4 3219 B16R2.2257 c1ccc(nc1)CNCCc2ccco2 34a_100000694680_100000721315 [0,0,0,0,0,2|2,0,0]=4 3220 B16R2.2257 c1ccc(nc1)CSCCc2cccs2 62a_100000721315_100000748579 [0,0,0,0,0,2|1,1,0]=4 3221 B16R2.2257 c1ccc(nc1)CSCCc2cccs2 62a_100000748579_100000721315 [0,0,0,0,0,2|1,1,0]=4 3222 B16R2.2257 c1cnc(nc1)CNCCc2ccco2 2230a_100000694680_100000703007 [0,0,0,0,0,2|2,0,0]=4 3223 B16R2.2257 c1cnc(nc1)CNCCc2ccco2 270004a_100000694680_100011532527 [0,0,0,0,0,2|2,0,0]=4 3224 B16R2.2257 c1cnc(nc1)CNCCc2ccco2 34a_100000694680_100000703007 [0,0,0,0,0,2|2,0,0]=4 3225 B16R2.2257 c1cnc(nc1)CSCCc2cccs2 62a_100000703007_100000748579 [0,0,0,0,0,2|1,1,0]=4 3226 B16R2.2257 c1cnc(nc1)CSCCc2cccs2 62a_100000748579_100000703007 [0,0,0,0,0,2|1,1,0]=4 3227 B16R2.2257 c1cncc(c1)CCNCc2ccco2 207a_100000736294_100000186105 [0,0,0,0,0,2|2,0,0]=4 3228 B16R2.2257 c1cncc(c1)CCNCc2ccco2 2230a_100000185738_200011713674 [0,0,0,0,0,2|2,0,0]=4 3229 B16R2.2257 c1cncc(c1)CCNCc2ccco2 270004a_100000736294_100000186105 [0,0,0,0,0,2|2,0,0]=4 3230 B16R2.2257 c1cncc(c1)CCSCc2ncco2 62a_103436540062_200011713674 [0,0,0,0,0,2|2,0,0]=4 3231 B16R2.2257 c1cncc(c1)CCSCc2ncco2 62a_200011713674_103436540062 [0,0,0,0,0,2|2,0,0]=4 3232 B16R2.2257 c1cncc(c1)CNCCc2ccco2 207a_100000694680_100000209961 [0,0,0,0,0,2|2,0,0]=4 3233 B16R2.2257 c1cncc(c1)CNCCc2ccco2 2230a_100000694680_100000741622 [0,0,0,0,0,2|2,0,0]=4 3234 B16R2.2257 c1cncc(c1)CNCCc2ccco2 270004a_100000694680_100000209961 [0,0,0,0,0,2|2,0,0]=4 3235 B16R2.2257 c1cncc(c1)CNCCc2ccco2 34a_100000694680_100000733263 [0,0,0,0,0,2|2,0,0]=4 3236 B16R2.2257 c1cncc(c1)CSCCc2cccs2 62a_100000741622_100000748579 [0,0,0,0,0,2|1,1,0]=4 3237 B16R2.2257 c1cncc(c1)CSCCc2cccs2 62a_100000748579_100000741622 [0,0,0,0,0,2|1,1,0]=4 3238 B16R2.2257 c1cnnc(c1)CNCCc2ccco2 2230a_100000694680_100016990269 [0,0,0,0,0,2|2,0,0]=4 3239 B16R2.2257 c1cnnc(c1)CNCCc2ccco2 34a_100000694680_100016990269 [0,0,0,0,0,2|2,0,0]=4 3240 B16R2.2257 c1cnnc(c1)CSCCc2cccs2 62a_100000748579_100016990269 [0,0,0,0,0,2|1,1,0]=4 3241 B16R2.2257 c1cnnc(c1)CSCCc2cccs2 62a_100016990269_100000748579 [0,0,0,0,0,2|1,1,0]=4 3242 B16R2.2257 c1coc(c1)CCNCc2ccncc2 207a_100000694680_100000186114 [0,0,0,0,0,2|2,0,0]=4 3243 B16R2.2257 c1coc(c1)CCNCc2ccncc2 2230a_100000694680_100015193705 [0,0,0,0,0,2|2,0,0]=4 3244 B16R2.2257 c1coc(c1)CCNCc2cnccn2 2230a_100000694680_100016995436 [0,0,0,0,0,2|2,0,0]=4 3245 B16R2.2257 c1coc(c1)CCNCc2cnccn2 270004a_100000694680_100000749867 [0,0,0,0,0,2|2,0,0]=4 3246 B16R2.2257 c1coc(c1)CCNCc2cnccn2 34a_100000694680_100016995436 [0,0,0,0,0,2|2,0,0]=4 3247 B16R2.2257 c1coc(c1)CNCCc2ccncc2 207a_100000742849_100000186105 [0,0,0,0,0,2|2,0,0]=4 3248 B16R2.2257 c1coc(c1)CNCCc2ccncc2 2230a_100000185738_100000723409 [0,0,0,0,0,2|2,0,0]=4 3249 B16R2.2257 c1coc(c1)CNCCc2ccncc2 270004a_100000742849_100000186105 [0,0,0,0,0,2|2,0,0]=4 3250 B16R2.2257 c1coc(c1)CNCCc2cnccn2 207a_100000723456_100000186105 [0,0,0,0,0,2|2,0,0]=4 3251 B16R2.2257 c1coc(c1)CNCCc2cnccn2 270004a_100000723456_100000186105 [0,0,0,0,0,2|2,0,0]=4 3252 B16R2.2257 c1csc(c1)CCSCc2ccncc2 62a_100000748579_100015193705 [0,0,0,0,0,2|1,1,0]=4 3253 B16R2.2257 c1csc(c1)CCSCc2ccncc2 62a_100015193705_100000748579 [0,0,0,0,0,2|1,1,0]=4 3254 B16R2.2257 c1csc(c1)CCSCc2cnccn2 62a_100000748579_100016995436 [0,0,0,0,0,2|1,1,0]=4 3255 B16R2.2257 c1csc(c1)CCSCc2cnccn2 62a_100016995436_100000748579 [0,0,0,0,0,2|1,1,0]=4 3256 B16R2.2256 c1cc(ccn1)CSCc2ccncc2 62a_100015193705_100015193705 [0,0,0,0,0,2|2,0,0]=4 3257 B16R2.2256 c1cc(ccn1)CSCc2cnccn2 62a_100015193705_100016995436 [0,0,0,0,0,2|2,0,0]=4 3258 B16R2.2256 c1cc(ccn1)CSCc2cnccn2 62a_100016995436_100015193705 [0,0,0,0,0,2|2,0,0]=4 3259 B16R2.2256 c1ccc(cc1)CSCc2ccccc2 62a_100000211182_100015291786 [0,0,0,0,0,2|2,0,0]=4 3260 B16R2.2256 c1ccc(cc1)CSCc2ccccn2 62a_100000211182_100000721315 [0,0,0,0,0,2|2,0,0]=4 3261 B16R2.2256 c1ccc(cc1)CSCc2ccccn2 62a_100000721315_100015291786 [0,0,0,0,0,2|2,0,0]=4 3262 B16R2.2256 c1ccc(cc1)CSCc2cccnc2 62a_100000211182_100000741622 [0,0,0,0,0,2|2,0,0]=4 3263 B16R2.2256 c1ccc(cc1)CSCc2cccnc2 62a_100000741622_100015291786 [0,0,0,0,0,2|2,0,0]=4 3264 B16R2.2256 c1ccc(cc1)CSCc2cccnn2 62a_100000211182_100016990269 [0,0,0,0,0,2|2,0,0]=4 3265 B16R2.2256 c1ccc(cc1)CSCc2cccnn2 62a_100016990269_100015291786 [0,0,0,0,0,2|2,0,0]=4 3266 B16R2.2256 c1ccc(cc1)CSCc2ccncc2 62a_100000211182_100015193705 [0,0,0,0,0,2|2,0,0]=4 3267 B16R2.2256 c1ccc(cc1)CSCc2ccncc2 62a_100015193705_100015291786 [0,0,0,0,0,2|2,0,0]=4 3268 B16R2.2256 c1ccc(cc1)CSCc2cnccn2 62a_100000211182_100016995436 [0,0,0,0,0,2|2,0,0]=4 3269 B16R2.2256 c1ccc(cc1)CSCc2cnccn2 62a_100016995436_100015291786 [0,0,0,0,0,2|2,0,0]=4 3270 B16R2.2256 c1ccc(cc1)CSCc2ncccn2 62a_100000211182_100000703007 [0,0,0,0,0,2|2,0,0]=4 3271 B16R2.2256 c1ccc(cc1)CSCc2ncccn2 62a_100000703007_100015291786 [0,0,0,0,0,2|2,0,0]=4 3272 B16R2.2256 c1ccc(nc1)CSCc2ccccn2 62a_100000721315_100000721315 [0,0,0,0,0,2|2,0,0]=4 3273 B16R2.2256 c1ccc(nc1)CSCc2cccnc2 62a_100000721315_100000741622 [0,0,0,0,0,2|2,0,0]=4 3274 B16R2.2256 c1ccc(nc1)CSCc2cccnc2 62a_100000741622_100000721315 [0,0,0,0,0,2|2,0,0]=4 3275 B16R2.2256 c1ccc(nc1)CSCc2cccnn2 62a_100000721315_100016990269 [0,0,0,0,0,2|2,0,0]=4 3276 B16R2.2256 c1ccc(nc1)CSCc2cccnn2 62a_100016990269_100000721315 [0,0,0,0,0,2|2,0,0]=4 3277 B16R2.2256 c1ccc(nc1)CSCc2ccncc2 62a_100000721315_100015193705 [0,0,0,0,0,2|2,0,0]=4 3278 B16R2.2256 c1ccc(nc1)CSCc2ccncc2 62a_100015193705_100000721315 [0,0,0,0,0,2|2,0,0]=4 3279 B16R2.2256 c1ccc(nc1)CSCc2cnccn2 62a_100000721315_100016995436 [0,0,0,0,0,2|2,0,0]=4 3280 B16R2.2256 c1ccc(nc1)CSCc2cnccn2 62a_100016995436_100000721315 [0,0,0,0,0,2|2,0,0]=4 3281 B16R2.2256 c1ccc(nc1)CSCc2ncccn2 62a_100000703007_100000721315 [0,0,0,0,0,2|2,0,0]=4 3282 B16R2.2256 c1ccc(nc1)CSCc2ncccn2 62a_100000721315_100000703007 [0,0,0,0,0,2|2,0,0]=4 3283 B16R2.2256 c1cnc(cn1)CSCc2cnccn2 62a_100016995436_100016995436 [0,0,0,0,0,2|2,0,0]=4 3284 B16R2.2256 c1cnc(nc1)CSCc2cccnc2 62a_100000703007_100000741622 [0,0,0,0,0,2|2,0,0]=4 3285 B16R2.2256 c1cnc(nc1)CSCc2cccnc2 62a_100000741622_100000703007 [0,0,0,0,0,2|2,0,0]=4 3286 B16R2.2256 c1cnc(nc1)CSCc2cccnn2 62a_100000703007_100016990269 [0,0,0,0,0,2|2,0,0]=4 3287 B16R2.2256 c1cnc(nc1)CSCc2cccnn2 62a_100016990269_100000703007 [0,0,0,0,0,2|2,0,0]=4 3288 B16R2.2256 c1cnc(nc1)CSCc2ccncc2 62a_100000703007_100015193705 [0,0,0,0,0,2|2,0,0]=4 3289 B16R2.2256 c1cnc(nc1)CSCc2ccncc2 62a_100015193705_100000703007 [0,0,0,0,0,2|2,0,0]=4 3290 B16R2.2256 c1cnc(nc1)CSCc2cnccn2 62a_100000703007_100016995436 [0,0,0,0,0,2|2,0,0]=4 3291 B16R2.2256 c1cnc(nc1)CSCc2cnccn2 62a_100016995436_100000703007 [0,0,0,0,0,2|2,0,0]=4 3292 B16R2.2256 c1cnc(nc1)CSCc2ncccn2 62a_100000703007_100000703007 [0,0,0,0,0,2|2,0,0]=4 3293 B16R2.2256 c1cncc(c1)CSCc2cccnc2 62a_100000741622_100000741622 [0,0,0,0,0,2|2,0,0]=4 3294 B16R2.2256 c1cncc(c1)CSCc2cccnn2 62a_100000741622_100016990269 [0,0,0,0,0,2|2,0,0]=4 3295 B16R2.2256 c1cncc(c1)CSCc2cccnn2 62a_100016990269_100000741622 [0,0,0,0,0,2|2,0,0]=4 3296 B16R2.2256 c1cncc(c1)CSCc2ccncc2 62a_100000741622_100015193705 [0,0,0,0,0,2|2,0,0]=4 3297 B16R2.2256 c1cncc(c1)CSCc2ccncc2 62a_100015193705_100000741622 [0,0,0,0,0,2|2,0,0]=4 3298 B16R2.2256 c1cncc(c1)CSCc2cnccn2 62a_100000741622_100016995436 [0,0,0,0,0,2|2,0,0]=4 3299 B16R2.2256 c1cncc(c1)CSCc2cnccn2 62a_100016995436_100000741622 [0,0,0,0,0,2|2,0,0]=4 3300 B16R2.2256 c1cnnc(c1)CSCc2cccnn2 62a_100016990269_100016990269 [0,0,0,0,0,2|2,0,0]=4 3301 B16R2.2256 c1cnnc(c1)CSCc2ccncc2 62a_100015193705_100016990269 [0,0,0,0,0,2|2,0,0]=4 3302 B16R2.2256 c1cnnc(c1)CSCc2ccncc2 62a_100016990269_100015193705 [0,0,0,0,0,2|2,0,0]=4 3303 B16R2.2256 c1cnnc(c1)CSCc2cnccn2 62a_100016990269_100016995436 [0,0,0,0,0,2|2,0,0]=4 3304 B16R2.2256 c1cnnc(c1)CSCc2cnccn2 62a_100016995436_100016990269 [0,0,0,0,0,2|2,0,0]=4