0 B19R2.4993 C#Cc1ccc(cc1)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100000140223 [0,0,0,0,0,0|4,0,0]=4 1 B19R2.4993 C#Cc1ccc(cc1)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100000140223 [0,0,0,0,0,0|4,0,0]=4 2 B19R2.4993 C#Cc1ccc(cc1)CSc2cc(c(cn2)C)O 62a_100000704368_100000140223 [0,0,0,0,0,0|4,0,0]=4 3 B19R2.4993 C#Cc1ccc(cc1)CSc2cc(c(cn2)F)O 62a_100009854642_100000140223 [0,0,0,0,0,0|4,0,0]=4 4 B19R2.4993 C=Cc1ccc(cc1)CSc2c[nH]c(=O)c(c2)O 62a_100000034074_100009814561 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.4993 C=Cc1ccc(cc1)CSc2cc(c(=O)[nH]n2)C 62a_100000034074_100012187101 [0,0,0,0,0,0|3,0,1]=4 6 B19R2.4993 C=Cc1ccc(cc1)CSc2cc(c(=O)[nH]n2)N 62a_100000034074_100000102183 [0,0,0,0,0,0|3,0,1]=4 7 B19R2.4993 CCc1ccc(cc1)CSc2c[nH]c(=O)c(c2)O 62a_100000757233_100009814561 [0,0,0,0,0,0|3,0,1]=4 8 B19R2.4993 CCc1ccc(cc1)CSc2cc(c(=O)[nH]n2)C 62a_100000757233_100012187101 [0,0,0,0,0,0|3,0,1]=4 9 B19R2.4993 CCc1ccc(cc1)CSc2cc(c(=O)[nH]n2)N 62a_100000757233_100000102183 [0,0,0,0,0,0|3,0,1]=4 10 B19R2.4993 CSc1ccc(cc1)CSc2c[nH]c(=O)c(c2)O 62a_100000181263_100009814561 [0,0,0,0,0,0|4,0,0]=4 11 B19R2.4993 CSc1ccc(cc1)CSc2cc(c(=O)[nH]n2)C 62a_100000181263_100012187101 [0,0,0,0,0,0|4,0,0]=4 12 B19R2.4993 CSc1ccc(cc1)CSc2cc(c(=O)[nH]n2)N 62a_100000181263_100000102183 [0,0,0,0,0,0|4,0,0]=4 13 B19R2.4993 Cc1cc(n[nH]c1=O)C=Cc2ccc(cc2)C#N 271570a_100102527917_100012187101 [0,0,0,0,0,0|1,0,2]=3 14 B19R2.4993 Cc1cc(n[nH]c1=O)SCc2ccc(cc2)C=O 62a_100009816848_100012187101 [0,0,0,0,0,0|3,0,1]=4 15 B19R2.4993 Cc1cc(n[nH]c1=O)SCc2ccc(cc2)CO 62a_100000067286_100012187101 [0,0,0,0,0,0|3,0,1]=4 16 B19R2.4993 Cc1cc(ncc1Br)OCc2ccc(cc2)C#N 34a_100000766222_100000184898 [0,0,0,0,0,0|4,0,0]=4 17 B19R2.4993 Cc1cc(ncc1Br)SCc2ccc(cc2)C#N 62a_100012356354_100000184898 [0,0,0,0,0,0|4,0,0]=4 18 B19R2.4993 Cc1cc(ncc1Cl)OCc2ccc(cc2)C#N 34a_200000085746_100000184898 [0,0,0,0,0,0|4,0,0]=4 19 B19R2.4993 Cc1cc(ncc1F)SCc2ccc(cc2)C#N 62a_100009818257_100000184898 [0,0,0,0,0,0|4,0,0]=4 20 B19R2.4993 Cc1cc(ncc1N)SCc2ccc(cc2)C#N 62a_100000067204_100000184898 [0,0,0,0,0,0|4,0,0]=4 21 B19R2.4993 Cc1cc(nnc1N)SCc2ccc(cc2)C#N 62a_100153394926_100000184898 [0,0,0,0,0,0|3,0,1]=4 22 B19R2.4993 Cc1ccc(cc1O)NCc2ccc(cc2)C#N 270302a_100000759471_100000211122 [0,0,0,0,0,0|4,0,0]=4 23 B19R2.4993 Cc1ccc(cc1O)NCc2ccc(cc2)C#N 34a_100000759471_100000184898 [0,0,0,0,0,0|4,0,0]=4 24 B19R2.4993 Cc1ccc(cc1O)NCc2ccc(cc2)C#N 7a_100000759471_100000184898 [0,0,0,0,0,0|4,0,0]=4 25 B19R2.4993 Cc1ccc(cc1O)SCc2ccc(cc2)C#N 62a_100000685420_100000184898 [0,0,0,0,0,0|4,0,0]=4 26 B19R2.4993 Cc1cnc(cc1Br)OCc2ccc(cc2)C#N 34a_100009831917_100000184898 [0,0,0,0,0,0|4,0,0]=4 27 B19R2.4993 Cc1cnc(cc1C)SCc2ccc(cc2)C#N 62a_100009850809_100000184898 [0,0,0,0,0,0|4,0,0]=4 28 B19R2.4993 Cc1cnc(cc1F)NCc2ccc(cc2)C#N 27a_100015207190_100009841206 [0,0,0,0,0,0|4,0,0]=4 29 B19R2.4993 Cc1cnc(cc1F)SCc2ccc(cc2)C#N 62a_100009841206_100000184898 [0,0,0,0,0,0|4,0,0]=4 30 B19R2.4993 Cc1cnc(cc1N)SCc2ccc(cc2)C#N 62a_100000126663_100000184898 [0,0,0,0,0,0|4,0,0]=4 31 B19R2.4993 Cc1cnc(cc1O)C=Cc2ccc(cc2)C#N 271570a_100102527917_100000704368 [0,0,0,0,0,0|2,0,2]=4 32 B19R2.4993 Cc1cnc(cc1O)SCc2ccc(cc2)C#N 62a_100000704368_100000184898 [0,0,0,0,0,0|3,0,0]=3 33 B19R2.4993 Cc1cnc(cc1O)SCc2ccc(cn2)C#N 62a_100000704368_100000693164 [0,0,0,0,0,0|4,0,0]=4 34 B19R2.4993 Cc1cnc(cc1O)SCc2ccc(nc2)C#N 62a_100000704368_100009816919 [0,0,0,0,0,0|4,0,0]=4 35 B19R2.4993 Cc1nc(c[nH]c1=O)SCc2ccc(cc2)C#N 62a_100010363809_100000184898 [0,0,0,0,0,0|4,0,0]=4 36 B19R2.4993 Cc1ncc(cc1O)SCc2ccc(cc2)C#N 62a_100009864810_100000184898 [0,0,0,0,0,0|3,0,1]=4 37 B19R2.4993 Cn1cc(ncc1=O)SCc2ccc(cc2)C#N 62a_100009843036_100000184898 [0,0,0,0,0,0|4,0,0]=4 38 B19R2.4993 N#Cc1ccc(cc1)C=Cc2c[nH]c(=O)c(c2)Br 271570a_100102527917_100010125443 [0,0,0,0,0,0|2,0,2]=4 39 B19R2.4993 N#Cc1ccc(cc1)C=Cc2c[nH]c(=O)c(c2)F 271570a_100102527917_100000723523 [0,0,0,0,0,0|2,0,2]=4 40 B19R2.4993 N#Cc1ccc(cc1)C=Cc2c[nH]c(=O)c(c2)O 271570a_100102527917_100009814561 [0,0,0,0,0,0|1,0,2]=3 41 B19R2.4993 N#Cc1ccc(cc1)C=Cc2cc(c(=O)[nH]n2)N 271570a_100102527917_100000102183 [0,0,0,0,0,0|1,0,2]=3 42 B19R2.4993 N#Cc1ccc(cc1)C=Cc2cc(c(cn2)F)O 271570a_100102527917_100009854642 [0,0,0,0,0,0|2,0,2]=4 43 B19R2.4993 N#Cc1ccc(cc1)CNc2ccc(c(c2)O)Cl 270302a_100011934209_100000211122 [0,0,0,0,0,0|4,0,0]=4 44 B19R2.4993 N#Cc1ccc(cc1)CNc2ccc(c(c2)O)Cl 34a_100011934209_100000184898 [0,0,0,0,0,0|4,0,0]=4 45 B19R2.4993 N#Cc1ccc(cc1)CNc2ccc(c(c2)O)F 270302a_100012017398_100000211122 [0,0,0,0,0,0|4,0,0]=4 46 B19R2.4993 N#Cc1ccc(cc1)CNc2ccc(c(c2)O)F 34a_100012017398_100000184898 [0,0,0,0,0,0|4,0,0]=4 47 B19R2.4993 N#Cc1ccc(cc1)CNc2ccc(c(c2)O)F 7a_100012017398_100000184898 [0,0,0,0,0,0|4,0,0]=4 48 B19R2.4993 N#Cc1ccc(cc1)CNc2ccc(c(c2)O)O 34a_100102946323_100000184898 [0,0,0,0,0,0|3,0,1]=4 49 B19R2.4993 N#Cc1ccc(cc1)CNc2ncc(c(n2)O)F 27a_100015207190_100011995740 [0,0,0,0,0,0|4,0,0]=4 50 B19R2.4993 N#Cc1ccc(cc1)COc2cc(c(cn2)Br)Cl 34a_100010369989_100000184898 [0,0,0,0,0,0|4,0,0]=4 51 B19R2.4993 N#Cc1ccc(cc1)COc2cc(c(cn2)Cl)Cl 34a_200000099200_100000184898 [0,0,0,0,0,0|4,0,0]=4 52 B19R2.4993 N#Cc1ccc(cc1)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100000184898 [0,0,0,0,0,0|3,0,0]=3 53 B19R2.4993 N#Cc1ccc(cc1)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100000184898 [0,0,0,0,0,0|3,0,0]=3 54 B19R2.4993 N#Cc1ccc(cc1)CSc2cc(c(cn2)F)N 62a_100000126464_100000184898 [0,0,0,0,0,0|4,0,0]=4 55 B19R2.4993 N#Cc1ccc(cc1)CSc2cc(c(cn2)F)O 62a_100009854642_100000184898 [0,0,0,0,0,0|3,0,0]=3 56 B19R2.4993 N#Cc1ccc(cc1)CSc2cc(c(cn2)N)N 62a_100000067514_100000184898 [0,0,0,0,0,0|4,0,0]=4 57 B19R2.4993 N#Cc1ccc(cc1)CSc2cc(c(cn2)O)N 62a_100009819941_100000184898 [0,0,0,0,0,0|3,0,1]=4 58 B19R2.4993 N#Cc1ccc(cc1)CSc2ccc(c(c2)O)Br 62a_100012356990_100000184898 [0,0,0,0,0,0|4,0,0]=4 59 B19R2.4993 N#Cc1ccc(cc1)CSc2ccc(c(c2)O)Cl 62a_100011356854_100000184898 [0,0,0,0,0,0|4,0,0]=4 60 B19R2.4993 N#Cc1ccc(cc1)CSc2ccc(c(c2)O)F 62a_100000686035_100000184898 [0,0,0,0,0,0|4,0,0]=4 61 B19R2.4993 N#Cc1ccc(cc1)CSc2ccc(c(c2)O)N 62a_100000739049_100000184898 [0,0,0,0,0,0|4,0,0]=4 62 B19R2.4993 N#Cc1ccc(cc1)CSc2cnc(c(c2)O)F 62a_100009819871_100000184898 [0,0,0,0,0,0|3,0,1]=4 63 B19R2.4993 N#Cc1ccc(cc1)CSc2cnc(c(c2)O)N 62a_100009819042_100000184898 [0,0,0,0,0,0|3,0,1]=4 64 B19R2.4993 N#Cc1ccc(cc1)NCc2c[nH]c(=O)c(c2)Cl 270302a_100000185469_100000051075 [0,0,0,0,0,0|3,0,0]=3 65 B19R2.4993 N#Cc1ccc(cn1)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100009816919 [0,0,0,0,0,0|4,0,0]=4 66 B19R2.4993 N#Cc1ccc(cn1)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100009816919 [0,0,0,0,0,0|4,0,0]=4 67 B19R2.4993 N#Cc1ccc(cn1)CSc2cc(c(cn2)F)O 62a_100009854642_100009816919 [0,0,0,0,0,0|4,0,0]=4 68 B19R2.4993 N#Cc1ccc(nc1)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100000693164 [0,0,0,0,0,0|4,0,0]=4 69 B19R2.4993 N#Cc1ccc(nc1)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100000693164 [0,0,0,0,0,0|4,0,0]=4 70 B19R2.4993 N#Cc1ccc(nc1)CSc2cc(c(cn2)F)O 62a_100009854642_100000693164 [0,0,0,0,0,0|4,0,0]=4 71 B19R2.4993 Nc1cc(n[nH]c1=O)SCc2ccc(cc2)C=O 62a_100009816848_100000102183 [0,0,0,0,0,0|3,0,1]=4 72 B19R2.4993 Nc1cc(n[nH]c1=O)SCc2ccc(cc2)CO 62a_100000067286_100000102183 [0,0,0,0,0,0|3,0,1]=4 73 B19R2.4993 O=Cc1ccc(cc1)CSc2c[nH]c(=O)c(c2)O 62a_100009816848_100009814561 [0,0,0,0,0,0|3,0,1]=4 74 B19R2.4993 O=c1[nH]cc(cc1O)SCc2ccc(cc2)CO 62a_100000067286_100009814561 [0,0,0,0,0,0|3,0,1]=4 75 B18R2.52 C#Cc1ccc(cc1)COc2ccc(=O)[nH]c2 34a_100000075641_100000140223 [1,0,0,0,0,0|3,0,0]=4 76 B18R2.52 C#Cc1ccc(cc1)CSc2ccc(=O)[nH]c2 62a_100000212171_100000140223 [1,0,0,0,0,0|3,0,0]=4 77 B18R2.52 C#Cc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100009820020_100000140223 [1,0,0,0,0,0|2,0,0]=3 78 B18R2.52 C=Cc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100000034074_100009820020 [1,0,0,0,0,0|2,0,1]=4 79 B18R2.52 C=Cc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100009820020_100000034074 [1,0,0,0,0,0|2,0,1]=4 80 B18R2.52 C=Cc1ccc(cc1)NCc2ccc(=O)[nH]n2 207a_100011218248_100011361533 [1,0,0,0,0,0|2,0,1]=4 81 B18R2.52 CCc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100000757233_100009820020 [1,0,0,0,0,0|2,0,1]=4 82 B18R2.52 CCc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100009820020_100000747183 [1,0,0,0,0,0|2,0,1]=4 83 B18R2.52 CCc1ccc(cc1)NCc2ccc(=O)[nH]n2 207a_100000211069_100011361533 [1,0,0,0,0,0|2,0,1]=4 84 B18R2.52 COc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100009820020_100000742318 [1,0,0,0,0,0|3,0,0]=4 85 B18R2.52 COc1ccc(cc1)NCc2ccc(=O)[nH]n2 207a_100000184247_100011361533 [1,0,0,0,0,0|3,0,0]=4 86 B18R2.52 CSc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100000181263_100009820020 [1,0,0,0,0,0|3,0,0]=4 87 B18R2.52 CSc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100009820020_100000181263 [1,0,0,0,0,0|3,0,0]=4 88 B18R2.52 CSc1ccc(cc1)NCc2ccc(=O)[nH]n2 207a_100000212337_100011361533 [1,0,0,0,0,0|3,0,0]=4 89 B18R2.52 Cc1ccc(nc1)CNc2ccc(cc2)C#N 34a_100000185469_100000691093 [1,0,0,0,0,0|3,0,0]=4 90 B18R2.52 Cc1ccc(nc1)COc2ccc(cc2)C#N 34a_100000210344_100000691093 [1,0,0,0,0,0|3,0,0]=4 91 B18R2.52 Cc1ccc(nc1)COc2ccc(cc2)C#N 7a_100000210344_100000691093 [1,0,0,0,0,0|3,0,0]=4 92 B18R2.52 Cc1ccc(nc1)CSc2ccc(cc2)C#N 62a_100000691093_100000184291 [1,0,0,0,0,0|3,0,0]=4 93 B18R2.52 Cc1ccc(nc1)OCc2ccc(cc2)C#N 34a_100000759353_100000184898 [1,0,0,0,0,0|3,0,0]=4 94 B18R2.52 Cc1ccc(nc1)SCc2ccc(cc2)C#N 62a_100011192072_100000184898 [1,0,0,0,0,0|3,0,0]=4 95 B18R2.52 Cc1ccc(nn1)NCc2ccc(cc2)C#N 27a_100015207190_100000744512 [1,0,0,0,0,0|2,0,1]=4 96 B18R2.52 Cc1ccc(nn1)SCc2ccc(cc2)C#N 62a_100000744512_100000184898 [1,0,0,0,0,0|2,0,1]=4 97 B18R2.52 N#Cc1ccc(cc1)C=Cc2ccc(=O)[nH]c2 271570a_100102527917_100000212171 [1,0,0,0,0,0|1,0,2]=4 98 B18R2.52 N#Cc1ccc(cc1)C=Cc2ccc(=O)[nH]n2 271570a_100102527917_100009820020 [1,0,0,0,0,0|0,0,2]=3 99 B18R2.52 N#Cc1ccc(cc1)CNc2ccc(cn2)Br 27a_100015207190_100000686858 [1,0,0,0,0,0|3,0,0]=4 100 B18R2.52 N#Cc1ccc(cc1)COc2ccc(=O)[nH]c2 34a_100000075641_100000184898 [1,0,0,0,0,0|2,0,0]=3 101 B18R2.52 N#Cc1ccc(cc1)COc2ccc(cn2)Cl 34a_100011215309_100000184898 [1,0,0,0,0,0|3,0,0]=4 102 B18R2.52 N#Cc1ccc(cc1)COc2ccc(cn2)F 34a_100000742473_100000184898 [1,0,0,0,0,0|3,0,0]=4 103 B18R2.52 N#Cc1ccc(cc1)COc2ccc(cn2)N 34a_100000729260_100000184898 [1,0,0,0,0,0|3,0,0]=4 104 B18R2.52 N#Cc1ccc(cc1)CSc2ccc(=O)[nH]c2 62a_100000212171_100000184898 [1,0,0,0,0,0|2,0,0]=3 105 B18R2.52 N#Cc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100009820020_100000184898 [1,0,0,0,0,0|1,0,0]=2 106 B18R2.52 N#Cc1ccc(cc1)CSc2ccc(cn2)Br 62a_100000686858_100000184898 [1,0,0,0,0,0|3,0,0]=4 107 B18R2.52 N#Cc1ccc(cc1)CSc2ccc(cn2)Cl 62a_100011356976_100000184898 [1,0,0,0,0,0|3,0,0]=4 108 B18R2.52 N#Cc1ccc(cc1)CSc2ccc(cn2)F 62a_100000744514_100000184898 [1,0,0,0,0,0|3,0,0]=4 109 B18R2.52 N#Cc1ccc(cc1)CSc2ccc(cn2)N 62a_100000737798_100000184898 [1,0,0,0,0,0|3,0,0]=4 110 B18R2.52 N#Cc1ccc(cc1)CSc2ccc(cn2)O 62a_100000685995_100000184898 [1,0,0,0,0,0|2,0,1]=4 111 B18R2.52 N#Cc1ccc(cc1)CSc2ccc(nn2)Cl 62a_100000068654_100000184898 [1,0,0,0,0,0|2,0,1]=4 112 B18R2.52 N#Cc1ccc(cc1)CSc2ccc(nn2)N 62a_100010219413_100000184898 [1,0,0,0,0,0|2,0,1]=4 113 B18R2.52 N#Cc1ccc(cc1)CSc2cnc(=O)[nH]c2 62a_102495366499_100000184898 [1,0,0,0,0,0|3,0,0]=4 114 B18R2.52 N#Cc1ccc(cc1)NCc2ccc(cn2)Br 270302a_100000185469_100000754260 [1,0,0,0,0,0|3,0,0]=4 115 B18R2.52 N#Cc1ccc(cc1)NCc2ccc(cn2)Br 34a_100000185469_100000702658 [1,0,0,0,0,0|3,0,0]=4 116 B18R2.52 N#Cc1ccc(cc1)NCc2ccc(cn2)Cl 270302a_100000185469_100011361569 [1,0,0,0,0,0|3,0,0]=4 117 B18R2.52 N#Cc1ccc(cc1)NCc2ccc(cn2)Cl 34a_100000185469_100012066911 [1,0,0,0,0,0|3,0,0]=4 118 B18R2.52 N#Cc1ccc(cc1)NCc2ccc(cn2)F 34a_100000185469_100000703193 [1,0,0,0,0,0|3,0,0]=4 119 B18R2.52 N#Cc1ccc(cc1)NCc2ccc(nn2)Cl 34a_100000185469_100016992710 [1,0,0,0,0,0|2,0,1]=4 120 B18R2.52 N#Cc1ccc(cc1)OCc2ccc(cn2)Br 34a_100000210344_100000702658 [1,0,0,0,0,0|3,0,0]=4 121 B18R2.52 N#Cc1ccc(cc1)OCc2ccc(cn2)Br 7a_100000210344_100000702658 [1,0,0,0,0,0|3,0,0]=4 122 B18R2.52 N#Cc1ccc(cc1)OCc2ccc(cn2)Cl 34a_100000210344_100012066911 [1,0,0,0,0,0|3,0,0]=4 123 B18R2.52 N#Cc1ccc(cc1)OCc2ccc(cn2)Cl 7a_100000210344_100012066911 [1,0,0,0,0,0|3,0,0]=4 124 B18R2.52 N#Cc1ccc(cc1)OCc2ccc(cn2)F 34a_100000210344_100000703193 [1,0,0,0,0,0|3,0,0]=4 125 B18R2.52 N#Cc1ccc(cc1)OCc2ccc(cn2)F 7a_100000210344_100000703193 [1,0,0,0,0,0|3,0,0]=4 126 B18R2.52 N#Cc1ccc(cc1)OCc2ccc(nn2)Cl 34a_100000210344_100016992710 [1,0,0,0,0,0|2,0,1]=4 127 B18R2.52 N#Cc1ccc(cc1)OCc2ccc(nn2)Cl 7a_100000210344_100016992710 [1,0,0,0,0,0|2,0,1]=4 128 B18R2.52 N#Cc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000702658_100000184291 [1,0,0,0,0,0|3,0,0]=4 129 B18R2.52 N#Cc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100012066911_100000184291 [1,0,0,0,0,0|3,0,0]=4 130 B18R2.52 N#Cc1ccc(cc1)SCc2ccc(cn2)F 62a_100000703193_100000184291 [1,0,0,0,0,0|3,0,0]=4 131 B18R2.52 N#Cc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100016992710_100000184291 [1,0,0,0,0,0|2,0,1]=4 132 B18R2.52 N#Cc1ccc(cn1)COc2ccc(=O)[nH]c2 34a_100000075641_100009816919 [1,0,0,0,0,0|3,0,0]=4 133 B18R2.52 N#Cc1ccc(cn1)CSc2ccc(=O)[nH]c2 62a_100000212171_100009816919 [1,0,0,0,0,0|3,0,0]=4 134 B18R2.52 N#Cc1ccc(cn1)CSc2ccc(=O)[nH]n2 62a_100009820020_100009816919 [1,0,0,0,0,0|2,0,0]=3 135 B18R2.52 N#Cc1ccc(nc1)COc2ccc(=O)[nH]c2 34a_100000075641_100000693164 [1,0,0,0,0,0|3,0,0]=4 136 B18R2.52 N#Cc1ccc(nc1)CSc2ccc(=O)[nH]c2 62a_100000212171_100000693164 [1,0,0,0,0,0|3,0,0]=4 137 B18R2.52 N#Cc1ccc(nc1)CSc2ccc(=O)[nH]n2 62a_100009820020_100000693164 [1,0,0,0,0,0|2,0,0]=3 138 B18R2.52 O=Cc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100009816848_100009820020 [1,0,0,0,0,0|2,0,1]=4 139 B18R2.52 O=Cc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100009820020_100009816848 [1,0,0,0,0,0|2,0,1]=4 140 B18R2.52 O=c1ccc(n[nH]1)SCc2ccc(cc2)CO 62a_100000067286_100009820020 [1,0,0,0,0,0|2,0,1]=4 141 B18R2.52 O=c1ccc(n[nH]1)SCc2ccc(cc2)CO 62a_100009820020_100000067286 [1,0,0,0,0,0|2,0,1]=4 142 B18R2.60 Cc1ccnc(c1)CNc2ccc(cc2)C#N 34a_100000185469_100000718516 [1,0,0,0,0,0|3,0,0]=4 143 B18R2.60 Cc1ccnc(c1)COc2ccc(cc2)C#N 34a_100000210344_100000718516 [1,0,0,0,0,0|3,0,0]=4 144 B18R2.60 Cc1ccnc(c1)COc2ccc(cc2)C#N 7a_100000210344_100000718516 [1,0,0,0,0,0|3,0,0]=4 145 B18R2.60 Cc1ccnc(c1)CSc2ccc(cc2)C#N 62a_100000718516_100000184291 [1,0,0,0,0,0|3,0,0]=4 146 B18R2.60 Cc1ccnc(c1)SCc2ccc(cc2)C#N 62a_100000750283_100000184898 [1,0,0,0,0,0|3,0,0]=4 147 B18R2.60 Cc1cnnc(c1)NCc2ccc(cc2)C#N 27a_100015207190_100000070100 [1,0,0,0,0,0|2,0,1]=4 148 B18R2.60 Cc1cnnc(c1)OCc2ccc(cc2)C#N 34a_100000766097_100000184898 [1,0,0,0,0,0|2,0,1]=4 149 B18R2.60 Cc1cnnc(c1)SCc2ccc(cc2)C#N 62a_100000070100_100000184898 [1,0,0,0,0,0|2,0,1]=4 150 B18R2.60 N#Cc1ccc(cc1)C=Cc2cc(ccn2)O 271570a_100102527917_100000762945 [1,0,0,0,0,0|1,0,2]=4 151 B18R2.60 N#Cc1ccc(cc1)C=Cc2cc(cnn2)O 271570a_100102527917_200010734679 [1,0,0,0,0,0|0,0,3]=4 152 B18R2.60 N#Cc1ccc(cc1)CNc2cc(ccn2)F 27a_100015207190_100000764206 [1,0,0,0,0,0|3,0,0]=4 153 B18R2.60 N#Cc1ccc(cc1)CNc2cc(ncn2)O 27a_100015207190_100000765262 [1,0,0,0,0,0|3,0,0]=4 154 B18R2.60 N#Cc1ccc(cc1)CNc2cccc(c2)O 270302a_100000210217_100000211122 [1,0,0,0,0,0|3,0,0]=4 155 B18R2.60 N#Cc1ccc(cc1)CNc2cccc(c2)O 34a_100000210217_100000184898 [1,0,0,0,0,0|3,0,0]=4 156 B18R2.60 N#Cc1ccc(cc1)CNc2nccc(n2)O 27a_100015207190_100011649813 [1,0,0,0,0,0|3,0,0]=4 157 B18R2.60 N#Cc1ccc(cc1)CSc2cc(ccn2)Cl 62a_100010167805_100000184898 [1,0,0,0,0,0|3,0,0]=4 158 B18R2.60 N#Cc1ccc(cc1)CSc2cc(ccn2)F 62a_100000764206_100000184898 [1,0,0,0,0,0|3,0,0]=4 159 B18R2.60 N#Cc1ccc(cc1)CSc2cc(ccn2)N 62a_100009814236_100000184898 [1,0,0,0,0,0|3,0,0]=4 160 B18R2.60 N#Cc1ccc(cc1)CSc2cc(cnn2)N 62a_100011996757_100000184898 [1,0,0,0,0,0|2,0,1]=4 161 B18R2.60 N#Cc1ccc(cc1)CSc2cncc(c2)O 62a_100000754920_100000184898 [1,0,0,0,0,0|2,0,1]=4 162 B18R2.60 N#Cc1ccc(cc1)NCc2cc(ccn2)Br 34a_100000185469_100010173614 [1,0,0,0,0,0|3,0,0]=4 163 B18R2.60 N#Cc1ccc(cc1)NCc2cc(ccn2)Cl 34a_100000185469_100016988179 [1,0,0,0,0,0|3,0,0]=4 164 B18R2.60 N#Cc1ccc(cc1)NCc2cccc(c2)O 34a_100000185469_100011660834 [1,0,0,0,0,0|3,0,0]=4 165 B18R2.60 N#Cc1ccc(cc1)OCc2cc(ccn2)Br 34a_100000210344_100010173614 [1,0,0,0,0,0|3,0,0]=4 166 B18R2.60 N#Cc1ccc(cc1)OCc2cc(ccn2)Br 7a_100000210344_100010173614 [1,0,0,0,0,0|3,0,0]=4 167 B18R2.60 N#Cc1ccc(cc1)OCc2cc(ccn2)Cl 34a_100000210344_100016988179 [1,0,0,0,0,0|3,0,0]=4 168 B18R2.60 N#Cc1ccc(cc1)OCc2cc(ccn2)Cl 7a_100000210344_100016988179 [1,0,0,0,0,0|3,0,0]=4 169 B18R2.60 N#Cc1ccc(cc1)OCc2cccc(c2)O 34a_100000210344_100011660834 [1,0,0,0,0,0|3,0,0]=4 170 B18R2.60 N#Cc1ccc(cc1)OCc2cccc(c2)O 7a_100000210344_100000084143 [1,0,0,0,0,0|3,0,0]=4 171 B18R2.60 N#Cc1ccc(cc1)SCc2cc(ccn2)Br 62a_100010173614_100000184291 [1,0,0,0,0,0|3,0,0]=4 172 B18R2.60 N#Cc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100016988179_100000184291 [1,0,0,0,0,0|3,0,0]=4 173 B18R2.60 N#Cc1ccc(cc1)SCc2cccc(c2)O 62a_100011660834_100000184291 [1,0,0,0,0,0|3,0,0]=4 174 B18R2.9259 Cc1cc(n[nH]c1=O)SCc2ccc(cc2)Br 62a_100000189115_100012187101 [1,0,0,0,0,0|3,0,0]=4 175 B18R2.9259 Cc1cc(n[nH]c1=O)SCc2ccc(cc2)Cl 62a_100000187161_100012187101 [1,0,0,0,0,0|3,0,0]=4 176 B18R2.9259 Cc1cc(n[nH]c1=O)SCc2ccc(cc2)F 62a_100000198546_100012187101 [1,0,0,0,0,0|3,0,0]=4 177 B18R2.9259 Cc1cc(n[nH]c1=O)SCc2ccc(cc2)I 62a_100000189116_100012187101 [1,0,0,0,0,0|3,0,0]=4 178 B18R2.9259 Cc1ccc(cc1)CSc2c[nH]c(=O)c(c2)O 62a_100000210814_100009814561 [1,0,0,0,0,0|2,0,1]=4 179 B18R2.9259 Cc1ccc(cc1)CSc2cc(c(=O)[nH]n2)C 62a_100000210814_100012187101 [1,0,0,0,0,0|2,0,1]=4 180 B18R2.9259 Cc1ccc(cc1)CSc2cc(c(=O)[nH]n2)N 62a_100000210814_100000102183 [1,0,0,0,0,0|2,0,1]=4 181 B18R2.9259 Nc1cc(n[nH]c1=O)SCc2ccc(cc2)Br 62a_100000189115_100000102183 [1,0,0,0,0,0|3,0,0]=4 182 B18R2.9259 Nc1cc(n[nH]c1=O)SCc2ccc(cc2)Cl 62a_100000187161_100000102183 [1,0,0,0,0,0|3,0,0]=4 183 B18R2.9259 Nc1cc(n[nH]c1=O)SCc2ccc(cc2)F 62a_100000198546_100000102183 [1,0,0,0,0,0|3,0,0]=4 184 B18R2.9259 Nc1cc(n[nH]c1=O)SCc2ccc(cc2)I 62a_100000189116_100000102183 [1,0,0,0,0,0|3,0,0]=4 185 B18R2.9259 O=c1[nH]cc(cc1O)SCc2ccc(cc2)Br 62a_100000189115_100009814561 [1,0,0,0,0,0|3,0,0]=4 186 B18R2.9259 O=c1[nH]cc(cc1O)SCc2ccc(cc2)Cl 62a_100000187161_100009814561 [1,0,0,0,0,0|3,0,0]=4 187 B18R2.9259 O=c1[nH]cc(cc1O)SCc2ccc(cc2)F 62a_100000198546_100009814561 [1,0,0,0,0,0|3,0,0]=4 188 B18R2.9259 O=c1[nH]cc(cc1O)SCc2ccc(cc2)I 62a_100000189116_100009814561 [1,0,0,0,0,0|3,0,0]=4 189 B20R2.5589 Cc1c(c[nH]c(=O)c1N)SCc2ccc(cc2)C#N 62a_100010163742_100000184898 [0,1,0,0,0,0|3,0,0]=4 190 B20R2.5590 Cc1cc(ncc1C=O)SCc2ccc(cc2)C#N 62a_100000085382_100000184898 [0,1,0,0,0,0|3,0,0]=4 191 B20R2.5590 N#Cc1ccc(cc1)CSc2cc(c(cn2)C=O)N 62a_100000050503_100000184898 [0,1,0,0,0,0|3,0,0]=4 192 B20R2.5590 N#Cc1ccc(cc1)CSc2ccc(c(c2)O)C=O 62a_100011277552_100000184898 [0,1,0,0,0,0|3,0,0]=4 193 B20R2.5591 COc1cc(c[nH]c1=O)C=Cc2ccc(cc2)C#N 271570a_100102527917_100010125397 [0,1,0,0,0,0|1,0,2]=4 194 B20R2.5591 COc1cc(ncc1C)SCc2ccc(cc2)C#N 62a_100010067687_100000184898 [0,1,0,0,0,0|3,0,0]=4 195 B20R2.5591 COc1cc(ncc1F)SCc2ccc(cc2)C#N 62a_200010136270_100000184898 [0,1,0,0,0,0|3,0,0]=4 196 B20R2.5591 COc1cc(ncc1N)SCc2ccc(cc2)C#N 62a_100009887741_100000184898 [0,1,0,0,0,0|3,0,0]=4 197 B20R2.5591 COc1cc(nnc1N)SCc2ccc(cc2)C#N 62a_100000688033_100000184898 [0,1,0,0,0,0|2,0,1]=4 198 B20R2.5591 N#Cc1ccc(cc1)CSc2cc(c(cn2)F)CO 62a_100000081974_100000184898 [0,1,0,0,0,0|3,0,0]=4 199 B20R2.44752 Cc1cc(ccc1NCc2c[nH]c(=O)c(c2)Cl)C#N 270302a_100011216260_100000051075 [0,1,0,0,0,0|3,0,0]=4 200 B20R2.44752 Cc1cc(n[nH]c1=O)SCc2ccc(cc2Br)C#N 62a_100000694769_100012187101 [0,1,0,0,0,0|2,0,0]=3 201 B20R2.44752 Cc1cc(n[nH]c1=O)SCc2ccc(cc2I)C#N 62a_100010079267_100012187101 [0,1,0,0,0,0|2,0,0]=3 202 B20R2.44752 Cc1cnc(cc1O)SCc2ccc(cc2Br)C#N 62a_100000694769_100000704368 [0,1,0,0,0,0|3,0,0]=4 203 B20R2.44752 Cc1cnc(cc1O)SCc2ccc(cc2Br)C#N 62a_100000704368_100000694769 [0,1,0,0,0,0|3,0,0]=4 204 B20R2.44752 Cc1cnc(cc1O)SCc2ccc(cc2Cl)C#N 62a_100000704368_100000709902 [0,1,0,0,0,0|3,0,0]=4 205 B20R2.44752 Cc1cnc(cc1O)SCc2ccc(cc2F)C#N 62a_100000704368_100000239720 [0,1,0,0,0,0|3,0,0]=4 206 B20R2.44752 Cc1cnc(cc1O)SCc2ccc(cc2I)C#N 62a_100000704368_100010079267 [0,1,0,0,0,0|3,0,0]=4 207 B20R2.44752 Cc1cnc(cc1O)SCc2ccc(cc2I)C#N 62a_100010079267_100000704368 [0,1,0,0,0,0|3,0,0]=4 208 B20R2.44752 N#Cc1ccc(c(c1)Br)CSc2c[nH]c(=O)c(c2)Br 62a_100000694769_100010125443 [0,1,0,0,0,0|3,0,0]=4 209 B20R2.44752 N#Cc1ccc(c(c1)Br)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100000694769 [0,1,0,0,0,0|3,0,0]=4 210 B20R2.44752 N#Cc1ccc(c(c1)Br)CSc2c[nH]c(=O)c(c2)F 62a_100000694769_100000723523 [0,1,0,0,0,0|3,0,0]=4 211 B20R2.44752 N#Cc1ccc(c(c1)Br)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100000694769 [0,1,0,0,0,0|3,0,0]=4 212 B20R2.44752 N#Cc1ccc(c(c1)Br)CSc2c[nH]c(=O)c(c2)O 62a_100000694769_100009814561 [0,1,0,0,0,0|2,0,0]=3 213 B20R2.44752 N#Cc1ccc(c(c1)Br)CSc2cc(c(=O)[nH]n2)N 62a_100000694769_100000102183 [0,1,0,0,0,0|2,0,0]=3 214 B20R2.44752 N#Cc1ccc(c(c1)Br)CSc2cc(c(cn2)F)O 62a_100000694769_100009854642 [0,1,0,0,0,0|3,0,0]=4 215 B20R2.44752 N#Cc1ccc(c(c1)Br)CSc2cc(c(cn2)F)O 62a_100009854642_100000694769 [0,1,0,0,0,0|3,0,0]=4 216 B20R2.44752 N#Cc1ccc(c(c1)Cl)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100000709902 [0,1,0,0,0,0|3,0,0]=4 217 B20R2.44752 N#Cc1ccc(c(c1)Cl)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100000709902 [0,1,0,0,0,0|3,0,0]=4 218 B20R2.44752 N#Cc1ccc(c(c1)Cl)CSc2cc(c(cn2)F)O 62a_100009854642_100000709902 [0,1,0,0,0,0|3,0,0]=4 219 B20R2.44752 N#Cc1ccc(c(c1)F)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100000239720 [0,1,0,0,0,0|3,0,0]=4 220 B20R2.44752 N#Cc1ccc(c(c1)F)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100000239720 [0,1,0,0,0,0|3,0,0]=4 221 B20R2.44752 N#Cc1ccc(c(c1)F)CSc2cc(c(cn2)F)O 62a_100009854642_100000239720 [0,1,0,0,0,0|3,0,0]=4 222 B20R2.44752 N#Cc1ccc(c(c1)F)NCc2c[nH]c(=O)c(c2)Cl 270302a_100000760432_100000051075 [0,1,0,0,0,0|3,0,0]=4 223 B20R2.44752 N#Cc1ccc(c(c1)I)CSc2c[nH]c(=O)c(c2)Br 62a_100010079267_100010125443 [0,1,0,0,0,0|3,0,0]=4 224 B20R2.44752 N#Cc1ccc(c(c1)I)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100010079267 [0,1,0,0,0,0|3,0,0]=4 225 B20R2.44752 N#Cc1ccc(c(c1)I)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100010079267 [0,1,0,0,0,0|3,0,0]=4 226 B20R2.44752 N#Cc1ccc(c(c1)I)CSc2c[nH]c(=O)c(c2)F 62a_100010079267_100000723523 [0,1,0,0,0,0|3,0,0]=4 227 B20R2.44752 N#Cc1ccc(c(c1)I)CSc2c[nH]c(=O)c(c2)O 62a_100010079267_100009814561 [0,1,0,0,0,0|2,0,0]=3 228 B20R2.44752 N#Cc1ccc(c(c1)I)CSc2cc(c(=O)[nH]n2)N 62a_100010079267_100000102183 [0,1,0,0,0,0|2,0,0]=3 229 B20R2.44752 N#Cc1ccc(c(c1)I)CSc2cc(c(cn2)F)O 62a_100009854642_100010079267 [0,1,0,0,0,0|3,0,0]=4 230 B20R2.44752 N#Cc1ccc(c(c1)I)CSc2cc(c(cn2)F)O 62a_100010079267_100009854642 [0,1,0,0,0,0|3,0,0]=4 231 B20R2.70668 N#CCc1ccc(cc1)NCc2c[nH]c(=O)c(c2)Cl 207a_100000198999_100000051075 [0,1,0,0,0,0|3,0,0]=4 232 B20R2.70668 N#CCc1ccc(cc1)NCc2c[nH]c(=O)c(c2)Cl 270302a_100000198999_100000051075 [0,1,0,0,0,0|3,0,0]=4 233 B20R2.84836 Cc1[nH]c(=O)c(cc1SCc2ccc(cc2)C#N)N 62a_100010126670_100000184898 [0,1,0,0,0,0|3,0,0]=4 234 B20R2.85733 C#Cc1ccc(cc1)CSc2cc(c(=O)n(n2)C)C 62a_100010988966_100000140223 [0,1,0,0,0,0|3,0,0]=4 235 B20R2.85733 Cc1cc(cn(c1=O)C)SCc2ccc(cc2)C#N 62a_100011830242_100000184898 [0,1,0,0,0,0|3,0,0]=4 236 B20R2.85733 Cc1cc(nn(c1=O)C)C=Cc2ccc(cc2)C#N 271570a_100102527917_100010988966 [0,1,0,0,0,0|1,0,2]=4 237 B20R2.85733 Cc1cc(nn(c1=O)C)SCc2ccc(cc2)C#N 62a_100010988966_100000184898 [0,1,0,0,0,0|2,0,0]=3 238 B20R2.85733 Cc1cc(nn(c1=O)C)SCc2ccc(cn2)C#N 62a_100010988966_100000693164 [0,1,0,0,0,0|3,0,0]=4 239 B20R2.85733 Cc1cc(nn(c1=O)C)SCc2ccc(nc2)C#N 62a_100010988966_100009816919 [0,1,0,0,0,0|3,0,0]=4 240 B20R2.85733 Cn1cc(cc(c1=O)F)SCc2ccc(cc2)C#N 62a_100010749421_100000184898 [0,1,0,0,0,0|3,0,0]=4 241 B20R2.85733 Cn1cc(cc(c1=O)N)SCc2ccc(cc2)C#N 62a_106446545582_100000184898 [0,1,0,0,0,0|3,0,0]=4 242 B20R2.2387065 Cc1cc(ccc1C#N)NCc2c[nH]c(=O)c(c2)Cl 207a_100011999795_100000051075 [0,1,0,0,0,0|3,0,0]=4 243 B20R2.2387065 Cc1cc(ccc1C#N)NCc2c[nH]c(=O)c(c2)Cl 270302a_100011999795_100000051075 [0,1,0,0,0,0|3,0,0]=4 244 B20R2.2387065 Cc1cc(n[nH]c1=O)SCc2ccc(c(c2)Br)C#N 62a_100012355662_100012187101 [0,1,0,0,0,0|2,0,0]=3 245 B20R2.2387065 Cc1cnc(cc1O)SCc2ccc(c(c2)Br)C#N 62a_100000704368_100012355662 [0,1,0,0,0,0|3,0,0]=4 246 B20R2.2387065 Cc1cnc(cc1O)SCc2ccc(c(c2)Br)C#N 62a_100012355662_100000704368 [0,1,0,0,0,0|3,0,0]=4 247 B20R2.2387065 Cc1cnc(cc1O)SCc2ccc(c(c2)Cl)C#N 62a_100000704368_100010147163 [0,1,0,0,0,0|3,0,0]=4 248 B20R2.2387065 Cc1cnc(cc1O)SCc2ccc(c(c2)F)C#N 62a_100000704368_100011217145 [0,1,0,0,0,0|3,0,0]=4 249 B20R2.2387065 N#Cc1ccc(cc1Br)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100012355662 [0,1,0,0,0,0|3,0,0]=4 250 B20R2.2387065 N#Cc1ccc(cc1Br)CSc2c[nH]c(=O)c(c2)Br 62a_100012355662_100010125443 [0,1,0,0,0,0|3,0,0]=4 251 B20R2.2387065 N#Cc1ccc(cc1Br)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100012355662 [0,1,0,0,0,0|3,0,0]=4 252 B20R2.2387065 N#Cc1ccc(cc1Br)CSc2c[nH]c(=O)c(c2)F 62a_100012355662_100000723523 [0,1,0,0,0,0|3,0,0]=4 253 B20R2.2387065 N#Cc1ccc(cc1Br)CSc2c[nH]c(=O)c(c2)O 62a_100012355662_100009814561 [0,1,0,0,0,0|2,0,0]=3 254 B20R2.2387065 N#Cc1ccc(cc1Br)CSc2cc(c(=O)[nH]n2)N 62a_100012355662_100000102183 [0,1,0,0,0,0|2,0,0]=3 255 B20R2.2387065 N#Cc1ccc(cc1Br)CSc2cc(c(cn2)F)O 62a_100009854642_100012355662 [0,1,0,0,0,0|3,0,0]=4 256 B20R2.2387065 N#Cc1ccc(cc1Br)CSc2cc(c(cn2)F)O 62a_100012355662_100009854642 [0,1,0,0,0,0|3,0,0]=4 257 B20R2.2387065 N#Cc1ccc(cc1Br)NCc2c[nH]c(=O)c(c2)Cl 207a_100000689153_100000051075 [0,1,0,0,0,0|3,0,0]=4 258 B20R2.2387065 N#Cc1ccc(cc1Br)NCc2c[nH]c(=O)c(c2)Cl 270302a_100000689153_100000051075 [0,1,0,0,0,0|3,0,0]=4 259 B20R2.2387065 N#Cc1ccc(cc1Cl)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100010147163 [0,1,0,0,0,0|3,0,0]=4 260 B20R2.2387065 N#Cc1ccc(cc1Cl)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100010147163 [0,1,0,0,0,0|3,0,0]=4 261 B20R2.2387065 N#Cc1ccc(cc1Cl)CSc2cc(c(cn2)F)O 62a_100009854642_100010147163 [0,1,0,0,0,0|3,0,0]=4 262 B20R2.2387065 N#Cc1ccc(cc1Cl)NCc2c[nH]c(=O)c(c2)Cl 270302a_100000211542_100000051075 [0,1,0,0,0,0|3,0,0]=4 263 B20R2.2387065 N#Cc1ccc(cc1F)CSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100011217145 [0,1,0,0,0,0|3,0,0]=4 264 B20R2.2387065 N#Cc1ccc(cc1F)CSc2c[nH]c(=O)c(c2)F 62a_100000723523_100011217145 [0,1,0,0,0,0|3,0,0]=4 265 B20R2.2387065 N#Cc1ccc(cc1F)CSc2cc(c(cn2)F)O 62a_100009854642_100011217145 [0,1,0,0,0,0|3,0,0]=4 266 B20R2.2387065 N#Cc1ccc(cc1F)NCc2c[nH]c(=O)c(c2)Cl 270302a_100000765089_100000051075 [0,1,0,0,0,0|3,0,0]=4 267 B20R2.2387065 N#Cc1ccc(cc1O)NCc2c[nH]c(=O)c(c2)Cl 270302a_100000094571_100000051075 [0,1,0,0,0,0|3,0,0]=4 268 B18R1.220 C=CC(=O)NCC(=O)CCc1ccc(cc1)C#N 1458a_200011222540_100012161189 [0,0,1,0,0,0|3,0,0]=4 269 B18R2.4270 Cc1cnc(cc1O)Sc2ccc(cc2)C#N 62a_100000704368_100000184291 [0,0,0,0,1,0|3,0,0]=4 270 B18R2.4270 N#Cc1ccc(cc1)Sc2c[nH]c(=O)c(c2)Br 62a_100010125443_100000184291 [0,0,0,0,1,0|3,0,0]=4 271 B18R2.4270 N#Cc1ccc(cc1)Sc2c[nH]c(=O)c(c2)F 62a_100000723523_100000184291 [0,0,0,0,1,0|3,0,0]=4 272 B18R2.4270 N#Cc1ccc(cc1)Sc2cc(c(cn2)F)O 62a_100009854642_100000184291 [0,0,0,0,1,0|3,0,0]=4 273 B18R2.4322 Cc1[nH]nc(c1C)SCc2ccc(cc2)C#N 62a_100015309786_100000184898 [0,0,0,0,1,0|3,0,0]=4 274 B18R2.4322 Cn1c(n[nH]c1=O)COc2ccc(cc2)C#N 7a_100000210344_100010408635 [0,0,0,0,1,0|3,0,0]=4 275 B18R2.4322 Cn1c(n[nH]c1=O)CSc2ccc(cc2)C#N 62a_100010408635_100000184291 [0,0,0,0,1,0|3,0,0]=4 276 B20R2.5532 C#Cc1ccc(cc1)CNCc2c[nH]c(=O)c(c2)Cl 207a_100015199678_100000051075 [0,0,0,0,0,1|3,0,0]=4 277 B20R2.5532 C#Cc1ccc(cc1)CNCc2c[nH]c(=O)c(c2)Cl 270004a_100015199678_100000051075 [0,0,0,0,0,1|3,0,0]=4 278 B20R2.5532 C=Cc1ccc(cc1)CCSc2c[nH]c(=O)c(c2)O 62a_100000142037_100009814561 [0,0,0,0,0,1|2,0,1]=4 279 B20R2.5532 C=Cc1ccc(cc1)CCSc2cc(c(=O)[nH]n2)C 62a_100000142037_100012187101 [0,0,0,0,0,1|2,0,1]=4 280 B20R2.5532 C=Cc1ccc(cc1)CCSc2cc(c(=O)[nH]n2)N 62a_100000142037_100000102183 [0,0,0,0,0,1|2,0,1]=4 281 B20R2.5532 COc1ccc(cc1)CCSc2c[nH]c(=O)c(c2)O 62a_100011713689_100009814561 [0,0,0,0,0,1|3,0,0]=4 282 B20R2.5532 COc1ccc(cc1)CCSc2cc(c(=O)[nH]n2)C 62a_100011713689_100012187101 [0,0,0,0,0,1|3,0,0]=4 283 B20R2.5532 COc1ccc(cc1)CCSc2cc(c(=O)[nH]n2)N 62a_100011713689_100000102183 [0,0,0,0,0,1|3,0,0]=4 284 B20R2.5532 Cc1cc(ncc1Br)CNCc2ccc(cc2)C#N 207a_100015207190_100009814806 [0,0,0,0,0,1|3,0,0]=4 285 B20R2.5532 Cc1cc(ncc1Br)CNCc2ccc(cc2)C#N 270004a_100015207190_100009814806 [0,0,0,0,0,1|3,0,0]=4 286 B20R2.5532 Cc1cc(ncc1Br)COCc2ccc(cc2)C#N 34a_200010713146_100000184898 [0,0,0,0,0,1|3,0,0]=4 287 B20R2.5532 Cc1cc(ncc1Br)OCCc2ccc(cc2)C#N 34a_100000766222_100012161189 [0,0,0,0,0,1|3,0,0]=4 288 B20R2.5532 Cc1cc(ncc1Br)SCCc2ccc(cc2)C#N 62a_100012356354_100012161189 [0,0,0,0,0,1|3,0,0]=4 289 B20R2.5532 Cc1cc(ncc1Cl)OCCc2ccc(cc2)C#N 34a_200000085746_100012161189 [0,0,0,0,0,1|3,0,0]=4 290 B20R2.5532 Cc1cc(ncc1F)SCCc2ccc(cc2)C#N 62a_100009818257_100012161189 [0,0,0,0,0,1|3,0,0]=4 291 B20R2.5532 Cc1cc(ncc1N)SCCc2ccc(cc2)C#N 62a_100000067204_100012161189 [0,0,0,0,0,1|3,0,0]=4 292 B20R2.5532 Cc1cc(nnc1N)SCCc2ccc(cc2)C#N 62a_100153394926_100012161189 [0,0,0,0,0,1|2,0,1]=4 293 B20R2.5532 Cc1ccc(cc1O)NCCc2ccc(cc2)C#N 34a_100000759471_100012161189 [0,0,0,0,0,1|3,0,0]=4 294 B20R2.5532 Cc1ccc(cc1O)NCCc2ccc(cc2)C#N 7a_100000759471_100012161189 [0,0,0,0,0,1|3,0,0]=4 295 B20R2.5532 Cc1ccc(cc1O)SCCc2ccc(cc2)C#N 62a_100000685420_100012161189 [0,0,0,0,0,1|3,0,0]=4 296 B20R2.5532 Cc1cnc(cc1Br)CNCc2ccc(cc2)C#N 207a_100015207190_100010174032 [0,0,0,0,0,1|3,0,0]=4 297 B20R2.5532 Cc1cnc(cc1Br)CNCc2ccc(cc2)C#N 270004a_100015207190_100010174032 [0,0,0,0,0,1|3,0,0]=4 298 B20R2.5532 Cc1cnc(cc1Br)COCc2ccc(cc2)C#N 34a_100010113723_100000184898 [0,0,0,0,0,1|3,0,0]=4 299 B20R2.5532 Cc1cnc(cc1Br)COCc2ccc(cc2)C#N 7a_100010113723_100000184898 [0,0,0,0,0,1|3,0,0]=4 300 B20R2.5532 Cc1cnc(cc1Br)OCCc2ccc(cc2)C#N 34a_100009831917_100012161189 [0,0,0,0,0,1|3,0,0]=4 301 B20R2.5532 Cc1cnc(cc1C)SCCc2ccc(cc2)C#N 62a_100009850809_100012161189 [0,0,0,0,0,1|3,0,0]=4 302 B20R2.5532 Cc1cnc(cc1Cl)COCc2ccc(cc2)C#N 34a_200000144627_100000184898 [0,0,0,0,0,1|3,0,0]=4 303 B20R2.5532 Cc1cnc(cc1Cl)COCc2ccc(cc2)C#N 7a_200000144627_100000184898 [0,0,0,0,0,1|3,0,0]=4 304 B20R2.5532 Cc1cnc(cc1F)NCCc2ccc(cc2)C#N 27a_100015189369_100009841206 [0,0,0,0,0,1|3,0,0]=4 305 B20R2.5532 Cc1cnc(cc1F)SCCc2ccc(cc2)C#N 62a_100009841206_100012161189 [0,0,0,0,0,1|3,0,0]=4 306 B20R2.5532 Cc1cnc(cc1N)SCCc2ccc(cc2)C#N 62a_100000126663_100012161189 [0,0,0,0,0,1|3,0,0]=4 307 B20R2.5532 Cc1cnc(cc1O)SCCc2ccc(cc2)C#N 62a_100000704368_100012161189 [0,0,0,0,0,1|2,0,0]=3 308 B20R2.5532 Cc1nc(c[nH]c1=O)SCCc2ccc(cc2)C#N 62a_100010363809_100012161189 [0,0,0,0,0,1|3,0,0]=4 309 B20R2.5532 Cc1ncc(cc1O)SCCc2ccc(cc2)C#N 62a_100009864810_100012161189 [0,0,0,0,0,1|2,0,1]=4 310 B20R2.5532 Cn1cc(ncc1=O)SCCc2ccc(cc2)C#N 62a_100009843036_100012161189 [0,0,0,0,0,1|3,0,0]=4 311 B20R2.5532 N#Cc1ccc(cc1)CCNc2ccc(c(c2)O)Cl 34a_100011934209_100012161189 [0,0,0,0,0,1|3,0,0]=4 312 B20R2.5532 N#Cc1ccc(cc1)CCNc2ccc(c(c2)O)F 34a_100012017398_100012161189 [0,0,0,0,0,1|3,0,0]=4 313 B20R2.5532 N#Cc1ccc(cc1)CCNc2ccc(c(c2)O)F 7a_100012017398_100012161189 [0,0,0,0,0,1|3,0,0]=4 314 B20R2.5532 N#Cc1ccc(cc1)CCNc2ccc(c(c2)O)O 34a_100102946323_100012161189 [0,0,0,0,0,1|2,0,1]=4 315 B20R2.5532 N#Cc1ccc(cc1)CCNc2ncc(c(n2)O)F 27a_100015189369_100011995740 [0,0,0,0,0,1|3,0,0]=4 316 B20R2.5532 N#Cc1ccc(cc1)CCOc2cc(c(cn2)Br)Cl 34a_100010369989_100012161189 [0,0,0,0,0,1|3,0,0]=4 317 B20R2.5532 N#Cc1ccc(cc1)CCOc2cc(c(cn2)Cl)Cl 34a_200000099200_100012161189 [0,0,0,0,0,1|3,0,0]=4 318 B20R2.5532 N#Cc1ccc(cc1)CCSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100012161189 [0,0,0,0,0,1|2,0,0]=3 319 B20R2.5532 N#Cc1ccc(cc1)CCSc2c[nH]c(=O)c(c2)F 62a_100000723523_100012161189 [0,0,0,0,0,1|2,0,0]=3 320 B20R2.5532 N#Cc1ccc(cc1)CCSc2cc(c(cn2)F)N 62a_100000126464_100012161189 [0,0,0,0,0,1|3,0,0]=4 321 B20R2.5532 N#Cc1ccc(cc1)CCSc2cc(c(cn2)F)O 62a_100009854642_100012161189 [0,0,0,0,0,1|2,0,0]=3 322 B20R2.5532 N#Cc1ccc(cc1)CCSc2cc(c(cn2)N)N 62a_100000067514_100012161189 [0,0,0,0,0,1|3,0,0]=4 323 B20R2.5532 N#Cc1ccc(cc1)CCSc2cc(c(cn2)O)N 62a_100009819941_100012161189 [0,0,0,0,0,1|2,0,1]=4 324 B20R2.5532 N#Cc1ccc(cc1)CCSc2ccc(c(c2)O)Br 62a_100012356990_100012161189 [0,0,0,0,0,1|3,0,0]=4 325 B20R2.5532 N#Cc1ccc(cc1)CCSc2ccc(c(c2)O)Cl 62a_100011356854_100012161189 [0,0,0,0,0,1|3,0,0]=4 326 B20R2.5532 N#Cc1ccc(cc1)CCSc2ccc(c(c2)O)F 62a_100000686035_100012161189 [0,0,0,0,0,1|3,0,0]=4 327 B20R2.5532 N#Cc1ccc(cc1)CCSc2ccc(c(c2)O)N 62a_100000739049_100012161189 [0,0,0,0,0,1|3,0,0]=4 328 B20R2.5532 N#Cc1ccc(cc1)CCSc2cnc(c(c2)O)F 62a_100009819871_100012161189 [0,0,0,0,0,1|2,0,1]=4 329 B20R2.5532 N#Cc1ccc(cc1)CCSc2cnc(c(c2)O)N 62a_100009819042_100012161189 [0,0,0,0,0,1|2,0,1]=4 330 B20R2.5532 N#Cc1ccc(cc1)CNCc2c[nH]c(=O)c(c2)Cl 207a_100015207190_100000051075 [0,0,0,0,0,1|2,0,0]=3 331 B20R2.5532 N#Cc1ccc(cc1)CNCc2c[nH]c(=O)c(c2)Cl 270004a_100015207190_100000051075 [0,0,0,0,0,1|2,0,0]=3 332 B20R2.5532 N#Cc1ccc(cc1)CNCc2ccc(c(c2)O)Cl 34a_100020636435_100000184898 [0,0,0,0,0,1|3,0,0]=4 333 B20R2.5532 N#Cc1ccc(cc1)CNCc2ccc(c(c2)O)F 207a_100160469508_100000211122 [0,0,0,0,0,1|3,0,0]=4 334 B20R2.5532 N#Cc1ccc(cc1)CNCc2ccc(c(c2)O)F 270004a_100160469508_100000211122 [0,0,0,0,0,1|3,0,0]=4 335 B20R2.5532 N#Cc1ccc(cc1)CNCc2ccc(c(c2)O)F 34a_100160469508_100000184898 [0,0,0,0,0,1|3,0,0]=4 336 B20R2.5532 N#Cc1ccc(cc1)CNCc2ccc(c(c2)O)O 34a_100000010075_100000184898 [0,0,0,0,0,1|2,0,1]=4 337 B20R2.5532 N#Cc1ccc(cc1)OCCc2ccc(c(c2)O)O 7a_100000210344_200010393615 [0,0,0,0,0,1|2,0,1]=4 338 B17R2.48 N#Cc1ccc(cc1)CNc2cccnn2 27a_100015207190_100016991348 [2,0,0,0,0,0|1,0,1]=4 339 B17R2.48 N#Cc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000184898 [2,0,0,0,0,0|2,0,0]=4 340 B17R2.48 N#Cc1ccc(cc1)CSc2cccnn2 62a_100016991348_100000184898 [2,0,0,0,0,0|1,0,1]=4 341 B17R2.48 N#Cc1ccc(cc1)NCc2ccccn2 270302a_100000185469_100000209966 [2,0,0,0,0,0|2,0,0]=4 342 B17R2.48 N#Cc1ccc(cc1)NCc2ccccn2 34a_100000185469_100000721315 [2,0,0,0,0,0|2,0,0]=4 343 B17R2.48 N#Cc1ccc(cc1)NCc2cccnn2 34a_100000185469_100016990269 [2,0,0,0,0,0|1,0,1]=4 344 B17R2.48 N#Cc1ccc(cc1)OCc2ccccn2 34a_100000210344_100000721315 [2,0,0,0,0,0|2,0,0]=4 345 B17R2.48 N#Cc1ccc(cc1)OCc2ccccn2 7a_100000210344_100000721315 [2,0,0,0,0,0|2,0,0]=4 346 B17R2.48 N#Cc1ccc(cc1)OCc2cccnn2 34a_100000210344_100016990269 [2,0,0,0,0,0|1,0,1]=4 347 B17R2.48 N#Cc1ccc(cc1)OCc2cccnn2 7a_100000210344_100016990269 [2,0,0,0,0,0|1,0,1]=4 348 B17R2.48 N#Cc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000184291 [2,0,0,0,0,0|2,0,0]=4 349 B17R2.48 N#Cc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000184291 [2,0,0,0,0,0|1,0,1]=4 350 B17R2.207 Cc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100000210814_100009820020 [2,0,0,0,0,0|1,0,1]=4 351 B17R2.207 Cc1ccc(cc1)CSc2ccc(=O)[nH]n2 62a_100009820020_100000210814 [2,0,0,0,0,0|1,0,1]=4 352 B17R2.207 Cc1ccc(cc1)NCc2ccc(=O)[nH]n2 207a_100000124888_100011361533 [2,0,0,0,0,0|1,0,1]=4 353 B17R2.207 O=c1ccc(n[nH]1)CNc2ccc(cc2)Br 207a_100000210018_100011361533 [2,0,0,0,0,0|2,0,0]=4 354 B17R2.207 O=c1ccc(n[nH]1)CNc2ccc(cc2)Cl 207a_100000210052_100011361533 [2,0,0,0,0,0|2,0,0]=4 355 B17R2.207 O=c1ccc(n[nH]1)CNc2ccc(cc2)F 207a_100000185862_100011361533 [2,0,0,0,0,0|2,0,0]=4 356 B17R2.207 O=c1ccc(n[nH]1)CNc2ccc(cc2)I 207a_100000185761_100011361533 [2,0,0,0,0,0|2,0,0]=4 357 B17R2.207 O=c1ccc(n[nH]1)SCc2ccc(cc2)Br 62a_100000189115_100009820020 [2,0,0,0,0,0|2,0,0]=4 358 B17R2.207 O=c1ccc(n[nH]1)SCc2ccc(cc2)Br 62a_100009820020_100000189115 [2,0,0,0,0,0|2,0,0]=4 359 B17R2.207 O=c1ccc(n[nH]1)SCc2ccc(cc2)Cl 62a_100000187161_100009820020 [2,0,0,0,0,0|2,0,0]=4 360 B17R2.207 O=c1ccc(n[nH]1)SCc2ccc(cc2)Cl 62a_100009820020_100000187161 [2,0,0,0,0,0|2,0,0]=4 361 B17R2.207 O=c1ccc(n[nH]1)SCc2ccc(cc2)F 62a_100000198546_100009820020 [2,0,0,0,0,0|2,0,0]=4 362 B17R2.207 O=c1ccc(n[nH]1)SCc2ccc(cc2)F 62a_100009820020_100000187164 [2,0,0,0,0,0|2,0,0]=4 363 B17R2.207 O=c1ccc(n[nH]1)SCc2ccc(cc2)I 62a_100000189116_100009820020 [2,0,0,0,0,0|2,0,0]=4 364 B17R2.207 O=c1ccc(n[nH]1)SCc2ccc(cc2)I 62a_100009820020_100000189116 [2,0,0,0,0,0|2,0,0]=4 365 B17R2.193 Cc1cc(n[nH]c1=O)SCc2ccccc2 62a_100000211182_100012187101 [2,0,0,0,0,0|2,0,0]=4 366 B17R2.193 Nc1cc(n[nH]c1=O)SCc2ccccc2 62a_100000211182_100000102183 [2,0,0,0,0,0|2,0,0]=4 367 B17R2.193 O=c1[nH]cc(cc1O)SCc2ccccc2 62a_100000211182_100009814561 [2,0,0,0,0,0|2,0,0]=4 368 B19R1.211 C=C(C)C(=O)NCC(=O)CCc1ccc(cc1)C#N 1458a_100000076187_100012161189 [0,1,1,0,0,0|2,0,0]=4 369 B19R2.1056 N#Cc1ccc(c(c1)Br)COc2ccc(=O)[nH]c2 34a_100000075641_100000694769 [1,1,0,0,0,0|2,0,0]=4 370 B19R2.1056 N#Cc1ccc(c(c1)Br)CSc2ccc(=O)[nH]c2 62a_100000212171_100000694769 [1,1,0,0,0,0|2,0,0]=4 371 B19R2.1056 N#Cc1ccc(c(c1)Br)CSc2ccc(=O)[nH]c2 62a_100000694769_100000212171 [1,1,0,0,0,0|2,0,0]=4 372 B19R2.1056 N#Cc1ccc(c(c1)Br)CSc2ccc(=O)[nH]n2 62a_100000694769_100009820020 [1,1,0,0,0,0|1,0,0]=3 373 B19R2.1056 N#Cc1ccc(c(c1)Br)CSc2ccc(=O)[nH]n2 62a_100009820020_100000694769 [1,1,0,0,0,0|1,0,0]=3 374 B19R2.1056 N#Cc1ccc(c(c1)Cl)COc2ccc(=O)[nH]c2 34a_100000075641_100000709902 [1,1,0,0,0,0|2,0,0]=4 375 B19R2.1056 N#Cc1ccc(c(c1)Cl)CSc2ccc(=O)[nH]c2 62a_100000212171_100000709902 [1,1,0,0,0,0|2,0,0]=4 376 B19R2.1056 N#Cc1ccc(c(c1)Cl)CSc2ccc(=O)[nH]n2 62a_100009820020_100000709902 [1,1,0,0,0,0|1,0,0]=3 377 B19R2.1056 N#Cc1ccc(c(c1)F)COc2ccc(=O)[nH]c2 34a_100000075641_100000239720 [1,1,0,0,0,0|2,0,0]=4 378 B19R2.1056 N#Cc1ccc(c(c1)F)CSc2ccc(=O)[nH]c2 62a_100000212171_100000239720 [1,1,0,0,0,0|2,0,0]=4 379 B19R2.1056 N#Cc1ccc(c(c1)F)CSc2ccc(=O)[nH]n2 62a_100009820020_100000239720 [1,1,0,0,0,0|1,0,0]=3 380 B19R2.1056 N#Cc1ccc(c(c1)I)COc2ccc(=O)[nH]c2 34a_100000075641_100010079267 [1,1,0,0,0,0|2,0,0]=4 381 B19R2.1056 N#Cc1ccc(c(c1)I)CSc2ccc(=O)[nH]c2 62a_100000212171_100010079267 [1,1,0,0,0,0|2,0,0]=4 382 B19R2.1056 N#Cc1ccc(c(c1)I)CSc2ccc(=O)[nH]c2 62a_100010079267_100000212171 [1,1,0,0,0,0|2,0,0]=4 383 B19R2.1056 N#Cc1ccc(c(c1)I)CSc2ccc(=O)[nH]n2 62a_100009820020_100010079267 [1,1,0,0,0,0|1,0,0]=3 384 B19R2.1056 N#Cc1ccc(c(c1)I)CSc2ccc(=O)[nH]n2 62a_100010079267_100009820020 [1,1,0,0,0,0|1,0,0]=3 385 B19R2.2679 Cc1cc(ccc1C#N)NCc2ccc(=O)[nH]n2 207a_100011999795_100011361533 [1,1,0,0,0,0|1,0,0]=3 386 B19R2.2679 N#Cc1ccc(cc1Br)CSc2ccc(=O)[nH]c2 62a_100000212171_100012355662 [1,1,0,0,0,0|2,0,0]=4 387 B19R2.2679 N#Cc1ccc(cc1Br)CSc2ccc(=O)[nH]c2 62a_100012355662_100000212171 [1,1,0,0,0,0|2,0,0]=4 388 B19R2.2679 N#Cc1ccc(cc1Br)CSc2ccc(=O)[nH]n2 62a_100009820020_100012355662 [1,1,0,0,0,0|1,0,0]=3 389 B19R2.2679 N#Cc1ccc(cc1Br)CSc2ccc(=O)[nH]n2 62a_100012355662_100009820020 [1,1,0,0,0,0|1,0,0]=3 390 B19R2.2679 N#Cc1ccc(cc1Br)NCc2ccc(=O)[nH]n2 207a_100000689153_100011361533 [1,1,0,0,0,0|1,0,0]=3 391 B19R2.2679 N#Cc1ccc(cc1Cl)CSc2ccc(=O)[nH]c2 62a_100000212171_100010147163 [1,1,0,0,0,0|2,0,0]=4 392 B19R2.2679 N#Cc1ccc(cc1Cl)CSc2ccc(=O)[nH]n2 62a_100009820020_100010147163 [1,1,0,0,0,0|1,0,0]=3 393 B19R2.2679 N#Cc1ccc(cc1F)COc2ccc(=O)[nH]c2 34a_100000075641_100011217145 [1,1,0,0,0,0|2,0,0]=4 394 B19R2.2679 N#Cc1ccc(cc1F)CSc2ccc(=O)[nH]c2 62a_100000212171_100011217145 [1,1,0,0,0,0|2,0,0]=4 395 B19R2.2679 N#Cc1ccc(cc1F)CSc2ccc(=O)[nH]n2 62a_100009820020_100011217145 [1,1,0,0,0,0|1,0,0]=3 396 B19R2.4295 N#CCc1ccc(cc1)NCc2ccc(=O)[nH]n2 207a_100000198999_100011361533 [1,1,0,0,0,0|1,0,0]=3 397 B19R2.4982 Cc1cc(=O)[nH]nc1C=Cc2ccc(cc2)C#N 271570a_100102527917_100000081757 [1,1,0,0,0,0|0,0,2]=4 398 B19R2.4982 N#Cc1ccc(cc1)CNc2n[nH]c(=O)[nH]c2=O 27a_100015207190_100000181694 [1,1,0,0,0,0|2,0,0]=4 399 B19R2.4982 N#Cc1ccc(cc1)CSc2c[nH]c(=O)cc2F 62a_100015631685_100000184898 [1,1,0,0,0,0|2,0,0]=4 400 B19R2.4982 N#Cc1ccc(cc1)CSc2ccc(=O)[nH]c2N 62a_100009884077_100000184898 [1,1,0,0,0,0|2,0,0]=4 401 B19R2.4984 N#Cc1ccc(cc1)CSc2ccc(cn2)C=O 62a_100000766901_100000184898 [1,1,0,0,0,0|2,0,0]=4 402 B19R2.4984 N#Cc1ccc(cc1)CSc2ccc(nn2)C=O 62a_100000044651_100000184898 [1,1,0,0,0,0|1,0,1]=4 403 B19R2.3524 N#Cc1ccc(c(c1)Br)CSc2cc(ccn2)O 62a_100000694769_100000762945 [1,1,0,0,0,0|2,0,0]=4 404 B19R2.3524 N#Cc1ccc(c(c1)Br)CSc2cc(cnn2)O 62a_100000694769_200010734679 [1,1,0,0,0,0|1,0,1]=4 405 B19R2.3524 N#Cc1ccc(c(c1)I)CSc2cc(ccn2)O 62a_100010079267_100000762945 [1,1,0,0,0,0|2,0,0]=4 406 B19R2.3524 N#Cc1ccc(c(c1)I)CSc2cc(cnn2)O 62a_100010079267_200010734679 [1,1,0,0,0,0|1,0,1]=4 407 B19R2.4997 N#Cc1ccc(cc1)CSc2nccc(c2F)O 62a_100009876375_100000184898 [1,1,0,0,0,0|2,0,0]=4 408 B19R2.4999 COc1ccnc(c1)CNc2ccc(cc2)C#N 34a_100000185469_100000752681 [1,1,0,0,0,0|2,0,0]=4 409 B19R2.4999 COc1ccnc(c1)COc2ccc(cc2)C#N 34a_100000210344_100000752681 [1,1,0,0,0,0|2,0,0]=4 410 B19R2.4999 COc1ccnc(c1)COc2ccc(cc2)C#N 7a_100000210344_100000752681 [1,1,0,0,0,0|2,0,0]=4 411 B19R2.4999 COc1ccnc(c1)CSc2ccc(cc2)C#N 62a_100000752681_100000184291 [1,1,0,0,0,0|2,0,0]=4 412 B19R2.4999 COc1ccnc(c1)SCc2ccc(cc2)C#N 62a_100009817693_100000184898 [1,1,0,0,0,0|2,0,0]=4 413 B19R2.4999 N#Cc1ccc(cc1)CSc2cc(ccn2)CO 62a_100009814636_100000184898 [1,1,0,0,0,0|2,0,0]=4 414 B19R2.28207 N#Cc1ccc(cc1Br)CSc2cc(ccn2)O 62a_100012355662_100000762945 [1,1,0,0,0,0|2,0,0]=4 415 B19R2.28207 N#Cc1ccc(cc1Br)CSc2cc(cnn2)O 62a_100012355662_200010734679 [1,1,0,0,0,0|1,0,1]=4 416 B19R2.18951 Cc1cc(n[nH]c1=O)Sc2ccc(c(c2)Br)C#N 62a_100012349582_100012187101 [0,1,0,0,1,0|2,0,0]=4 417 B19R2.18951 N#Cc1ccc(cc1Br)Sc2c[nH]c(=O)c(c2)O 62a_100012349582_100009814561 [0,1,0,0,1,0|2,0,0]=4 418 B19R2.18951 N#Cc1ccc(cc1Br)Sc2cc(c(=O)[nH]n2)N 62a_100012349582_100000102183 [0,1,0,0,1,0|2,0,0]=4 419 B19R2.47089 Cc1cc(n[nH]c1=O)Sc2ccc(cc2)CC#N 62a_100011217881_100012187101 [0,1,0,0,1,0|2,0,0]=4 420 B19R2.47089 N#CCc1ccc(cc1)Sc2c[nH]c(=O)c(c2)O 62a_100011217881_100009814561 [0,1,0,0,1,0|2,0,0]=4 421 B19R2.47089 N#CCc1ccc(cc1)Sc2cc(c(=O)[nH]n2)N 62a_100011217881_100000102183 [0,1,0,0,1,0|2,0,0]=4 422 B19R2.57006 Cc1cc(nn(c1=O)C)Sc2ccc(cc2)C#N 62a_100010988966_100000184291 [0,1,0,0,1,0|2,0,0]=4 423 B21R2.6065 Cc1c(c[nH]c(=O)c1N)SCCc2ccc(cc2)C#N 62a_100010163742_100012161189 [0,1,0,0,0,1|2,0,0]=4 424 B21R2.6066 Cc1cc(ncc1C=O)SCCc2ccc(cc2)C#N 62a_100000085382_100012161189 [0,1,0,0,0,1|2,0,0]=4 425 B21R2.6066 N#Cc1ccc(cc1)CCSc2cc(c(cn2)C=O)N 62a_100000050503_100012161189 [0,1,0,0,0,1|2,0,0]=4 426 B21R2.6066 N#Cc1ccc(cc1)CCSc2ccc(c(c2)O)C=O 62a_100011277552_100012161189 [0,1,0,0,0,1|2,0,0]=4 427 B21R2.6067 COc1cc(ncc1Br)COCc2ccc(cc2)C#N 34a_100010999569_100000184898 [0,1,0,0,0,1|2,0,0]=4 428 B21R2.6067 COc1cc(ncc1C)SCCc2ccc(cc2)C#N 62a_100010067687_100012161189 [0,1,0,0,0,1|2,0,0]=4 429 B21R2.6067 COc1cc(ncc1F)SCCc2ccc(cc2)C#N 62a_200010136270_100012161189 [0,1,0,0,0,1|2,0,0]=4 430 B21R2.6067 COc1cc(ncc1N)SCCc2ccc(cc2)C#N 62a_100009887741_100012161189 [0,1,0,0,0,1|2,0,0]=4 431 B21R2.6067 COc1cc(nnc1N)SCCc2ccc(cc2)C#N 62a_100000688033_100012161189 [0,1,0,0,0,1|1,0,1]=4 432 B21R2.6067 N#Cc1ccc(cc1)CCSc2cc(c(cn2)F)CO 62a_100000081974_100012161189 [0,1,0,0,0,1|2,0,0]=4 433 B21R2.6957 CN(Cc1ccc(cc1)C#N)Cc2c[nH]c(=O)c(c2)Cl 270004a_100000217971_100000051075 [0,1,0,0,0,1|2,0,0]=4 434 B21R2.7220 C[C@@H](NCc1c[nH]c(=O)c(c1)Cl)c2ccc(cc2)C#N 207a_100016991473_100000051075 [0,1,0,0,0,1|2,0,0]=4 435 B21R2.7220 C[C@@H](NCc1c[nH]c(=O)c(c1)Cl)c2ccc(cc2)C#N 270004a_100016991473_100000051075 [0,1,0,0,0,1|2,0,0]=4 436 B21R2.7220 Cc1cc(n[nH]c1=O)SCC(=O)c2ccc(cc2)C#N 62a_100000212069_100012187101 [0,1,0,0,0,1|1,0,1]=4 437 B21R2.7220 N#Cc1ccc(cc1)C(=O)CSc2c[nH]c(=O)c(c2)O 62a_100000212069_100009814561 [0,1,0,0,0,1|1,0,1]=4 438 B21R2.7220 N#Cc1ccc(cc1)C(=O)CSc2cc(c(=O)[nH]n2)N 62a_100000212069_100000102183 [0,1,0,0,0,1|1,0,1]=4 439 B21R2.63804 N#Cc1ccc(c(c1)Br)CNCc2c[nH]c(=O)c(c2)Cl 270004a_114948178924_100000051075 [0,1,0,0,0,1|2,0,0]=4 440 B21R2.63804 N#Cc1ccc(c(c1)F)CNCc2c[nH]c(=O)c(c2)Cl 270004a_100000749714_100000051075 [0,1,0,0,0,1|2,0,0]=4 441 B21R2.125873 Cc1[nH]c(=O)c(cc1SCCc2ccc(cc2)C#N)N 62a_100010126670_100012161189 [0,1,0,0,0,1|2,0,0]=4 442 B21R2.130011 Cc1cc(cn(c1=O)C)SCCc2ccc(cc2)C#N 62a_100011830242_100012161189 [0,1,0,0,0,1|2,0,0]=4 443 B21R2.130011 Cc1cc(nn(c1=O)C)SCCc2ccc(cc2)C#N 62a_100010988966_100012161189 [0,1,0,0,0,1|1,0,0]=3 444 B21R2.130011 Cn1cc(cc(c1=O)F)SCCc2ccc(cc2)C#N 62a_100010749421_100012161189 [0,1,0,0,0,1|2,0,0]=4 445 B21R2.130011 Cn1cc(cc(c1=O)N)SCCc2ccc(cc2)C#N 62a_106446545582_100012161189 [0,1,0,0,0,1|2,0,0]=4 446 B21R2.2711787 N#Cc1ccc(cc1F)CNCc2c[nH]c(=O)c(c2)Cl 270004a_100015204769_100000051075 [0,1,0,0,0,1|2,0,0]=4 447 B21R2.125966 COc1cc(ncc1C=O)SCc2ccc(cc2)C#N 62a_100009846838_100000184898 [0,2,0,0,0,0|2,0,0]=4 448 B21R2.63888 COc1cc(c[nH]c1=O)SCc2ccc(cc2Br)C#N 62a_100000694769_100010125397 [0,2,0,0,0,0|2,0,0]=4 449 B21R2.63888 COc1cc(c[nH]c1=O)SCc2ccc(cc2I)C#N 62a_100010079267_100010125397 [0,2,0,0,0,0|2,0,0]=4 450 B21R2.2711828 COc1cc(c[nH]c1=O)SCc2ccc(c(c2)Br)C#N 62a_100012355662_100010125397 [0,2,0,0,0,0|2,0,0]=4 451 B21R2.299116 Cc1cc(n[nH]c1=O)SCc2c(cc(cc2F)C#N)F 62a_200012663091_100012187101 [0,2,0,0,0,0|2,0,0]=4 452 B21R2.299116 N#Cc1cc(c(c(c1)F)CSc2c[nH]c(=O)c(c2)O)F 62a_200012663091_100009814561 [0,2,0,0,0,0|2,0,0]=4 453 B21R2.299116 N#Cc1cc(c(c(c1)F)CSc2cc(c(=O)[nH]n2)N)F 62a_200012663091_100000102183 [0,2,0,0,0,0|2,0,0]=4 454 B21R2.9652451 Cc1cc(nn(c1=O)C)SCc2ccc(cc2Br)C#N 62a_100000694769_100010988966 [0,2,0,0,0,0|2,0,0]=4 455 B21R2.9652451 Cc1cc(nn(c1=O)C)SCc2ccc(cc2Br)C#N 62a_100010988966_100000694769 [0,2,0,0,0,0|2,0,0]=4 456 B21R2.9652451 Cc1cc(nn(c1=O)C)SCc2ccc(cc2Cl)C#N 62a_100010988966_100000709902 [0,2,0,0,0,0|2,0,0]=4 457 B21R2.9652451 Cc1cc(nn(c1=O)C)SCc2ccc(cc2F)C#N 62a_100010988966_100000239720 [0,2,0,0,0,0|2,0,0]=4 458 B21R2.9652451 Cc1cc(nn(c1=O)C)SCc2ccc(cc2I)C#N 62a_100010079267_100010988966 [0,2,0,0,0,0|2,0,0]=4 459 B21R2.9652451 Cc1cc(nn(c1=O)C)SCc2ccc(cc2I)C#N 62a_100010988966_100010079267 [0,2,0,0,0,0|2,0,0]=4 460 B21R2.7727630 Cc1cc(nn(c1=O)C)SCc2ccc(c(c2)Br)C#N 62a_100010988966_100012355662 [0,2,0,0,0,0|2,0,0]=4 461 B21R2.7727630 Cc1cc(nn(c1=O)C)SCc2ccc(c(c2)Br)C#N 62a_100012355662_100010988966 [0,2,0,0,0,0|2,0,0]=4 462 B21R2.7727630 Cc1cc(nn(c1=O)C)SCc2ccc(c(c2)Cl)C#N 62a_100010988966_100010147163 [0,2,0,0,0,0|2,0,0]=4 463 B21R2.7727630 Cc1cc(nn(c1=O)C)SCc2ccc(c(c2)F)C#N 62a_100010988966_100011217145 [0,2,0,0,0,0|2,0,0]=4 464 B19R2.1645486 N#Cc1ccc2c(c1)C(=NNC(=O)C(=O)N)CC2 4a_100000211141_100000716822 [0,0,1,1,0,0|1,0,1]=4 465 B17R2.2 N#Cc1ccc(cc1)Sc2ccc(=O)[nH]c2 62a_100000212171_100000184291 [1,0,0,0,1,0|2,0,0]=4 466 B17R2.2 N#Cc1ccc(cc1)Sc2ccc(=O)[nH]n2 62a_100009820020_100000184291 [1,0,0,0,1,0|1,0,0]=3 467 B17R2.2 N#Cc1ccc(cn1)Sc2ccc(=O)[nH]n2 62a_100009820020_100000760455 [1,0,0,0,1,0|2,0,0]=4 468 B17R2.2 N#Cc1ccc(nc1)Sc2ccc(=O)[nH]n2 62a_100009820020_100000241038 [1,0,0,0,1,0|2,0,0]=4 469 B17R2.55 Cc1cc(n[nH]1)SCc2ccc(cc2)C#N 62a_100009819999_100000184898 [1,0,0,0,1,0|2,0,0]=4 470 B17R2.55 N#Cc1ccc(cc1)CSc2cc([nH]n2)N 62a_100009822546_100000184898 [1,0,0,0,1,0|2,0,0]=4 471 B17R2.55 N#Cc1ccc(cc1)OCc2n[nH]c(=O)[nH]2 7a_100000210344_100000754189 [1,0,0,0,1,0|2,0,0]=4 472 B17R2.2515 N#Cc1ccc(o1)CSc2ccc(=O)[nH]n2 62a_100009820020_100009822536 [1,0,0,0,1,0|2,0,0]=4 473 B17R2.2515 N#Cc1ccc(s1)CSc2ccc(=O)[nH]n2 62a_100009820020_100010188212 [1,0,0,0,1,0|2,0,0]=4 474 B17R2.54 Cc1c[nH]nc1SCc2ccc(cc2)C#N 62a_100009871783_100000184898 [1,0,0,0,1,0|2,0,0]=4 475 B17R2.54 N#Cc1ccc(cc1)CSc2n[nH]cc2Br 62a_100015839836_100000184898 [1,0,0,0,1,0|2,0,0]=4 476 B17R2.54 N#Cc1ccc(cc1)CSc2n[nH]cc2N 62a_100010894806_100000184898 [1,0,0,0,1,0|2,0,0]=4 477 B17R2.70 Cc1cc(n[nH]c1=O)c2ccc(cc2)C#N 271570a_100000034517_100012187101 [0,0,0,0,2,0|1,0,0]=3 478 B17R2.70 Cc1cc(n[nH]c1=O)c2ccc(nc2)C#N 271570a_100009888933_100012187101 [0,0,0,0,2,0|2,0,0]=4 479 B17R2.70 Cc1cnc(cc1O)c2ccc(cc2)C#N 271570a_100000034517_100000704368 [0,0,0,0,2,0|2,0,0]=4 480 B17R2.70 N#Cc1ccc(cc1)c2c[nH]c(=O)c(c2)Br 271570a_100000034517_100010125443 [0,0,0,0,2,0|2,0,0]=4 481 B17R2.70 N#Cc1ccc(cc1)c2c[nH]c(=O)c(c2)F 271570a_100000034517_100000723523 [0,0,0,0,2,0|2,0,0]=4 482 B17R2.70 N#Cc1ccc(cc1)c2c[nH]c(=O)c(c2)O 271570a_100000034517_100009814561 [0,0,0,0,2,0|1,0,0]=3 483 B17R2.70 N#Cc1ccc(cc1)c2cc(c(=O)[nH]n2)N 271570a_100000034517_100000102183 [0,0,0,0,2,0|1,0,0]=3 484 B17R2.70 N#Cc1ccc(cc1)c2cc(c(cn2)F)O 271570a_100000034517_100009854642 [0,0,0,0,2,0|2,0,0]=4 485 B17R2.70 N#Cc1ccc(cn1)c2c[nH]c(=O)c(c2)O 271570a_100009888933_100009814561 [0,0,0,0,2,0|2,0,0]=4 486 B17R2.70 N#Cc1ccc(cn1)c2cc(c(=O)[nH]n2)N 271570a_100009888933_100000102183 [0,0,0,0,2,0|2,0,0]=4 487 B19R2.58 C#Cc1ccc(cc1)CNCc2ccc(=O)[nH]n2 207a_100015199678_100011361533 [1,0,0,0,0,1|1,0,0]=3 488 B19R2.58 C#Cc1ccc(cc1)CNCc2ccc(=O)[nH]n2 270004a_100015199678_100011361533 [1,0,0,0,0,1|1,0,0]=3 489 B19R2.58 C#Cc1ccc(cc1)COCc2ccc(=O)[nH]c2 34a_100011999846_100000140223 [1,0,0,0,0,1|2,0,0]=4 490 B19R2.58 C=Cc1ccc(cc1)CCSc2ccc(=O)[nH]n2 62a_100000142037_100009820020 [1,0,0,0,0,1|1,0,1]=4 491 B19R2.58 C=Cc1ccc(cc1)CCSc2ccc(=O)[nH]n2 62a_100009820020_100000142037 [1,0,0,0,0,1|1,0,1]=4 492 B19R2.58 C=Cc1ccc(cc1)CNCc2ccc(=O)[nH]n2 207a_200011934891_100011361533 [1,0,0,0,0,1|1,0,1]=4 493 B19R2.58 C=Cc1ccc(cc1)CNCc2ccc(=O)[nH]n2 270004a_200011934891_100011361533 [1,0,0,0,0,1|1,0,1]=4 494 B19R2.58 CCc1ccc(cc1)CNCc2ccc(=O)[nH]n2 207a_100000721222_100011361533 [1,0,0,0,0,1|1,0,1]=4 495 B19R2.58 CCc1ccc(cc1)CNCc2ccc(=O)[nH]n2 270004a_100000721222_100011361533 [1,0,0,0,0,1|1,0,1]=4 496 B19R2.58 COc1ccc(cc1)CCSc2ccc(=O)[nH]n2 62a_100009820020_100011713689 [1,0,0,0,0,1|2,0,0]=4 497 B19R2.58 COc1ccc(cc1)CCSc2ccc(=O)[nH]n2 62a_100011713689_100009820020 [1,0,0,0,0,1|2,0,0]=4 498 B19R2.58 COc1ccc(cc1)CNCc2ccc(=O)[nH]n2 207a_100000185587_100011361533 [1,0,0,0,0,1|2,0,0]=4 499 B19R2.58 COc1ccc(cc1)CNCc2ccc(=O)[nH]n2 270004a_100000185587_100011361533 [1,0,0,0,0,1|2,0,0]=4 500 B19R2.58 CSc1ccc(cc1)CNCc2ccc(=O)[nH]n2 207a_100000174980_100011361533 [1,0,0,0,0,1|2,0,0]=4 501 B19R2.58 CSc1ccc(cc1)CNCc2ccc(=O)[nH]n2 270004a_100000174980_100011361533 [1,0,0,0,0,1|2,0,0]=4 502 B19R2.58 Cc1ccc(nc1)CNCc2ccc(cc2)C#N 207a_100015207190_100000050478 [1,0,0,0,0,1|2,0,0]=4 503 B19R2.58 Cc1ccc(nc1)CNCc2ccc(cc2)C#N 270004a_100015207190_100000050478 [1,0,0,0,0,1|2,0,0]=4 504 B19R2.58 Cc1ccc(nc1)CNCc2ccc(cc2)C#N 34a_100015187455_100000184898 [1,0,0,0,0,1|2,0,0]=4 505 B19R2.58 Cc1ccc(nc1)CNCc2ccc(cc2)C#N 34a_100015207190_100000691093 [1,0,0,0,0,1|2,0,0]=4 506 B19R2.58 Cc1ccc(nc1)COCc2ccc(cc2)C#N 34a_100000238739_100000691093 [1,0,0,0,0,1|2,0,0]=4 507 B19R2.58 Cc1ccc(nc1)COCc2ccc(cc2)C#N 34a_100012001401_100000184898 [1,0,0,0,0,1|2,0,0]=4 508 B19R2.58 Cc1ccc(nc1)COCc2ccc(cc2)C#N 7a_100000238739_100000691093 [1,0,0,0,0,1|2,0,0]=4 509 B19R2.58 Cc1ccc(nc1)CSCc2ccc(cc2)C#N 62a_100000691093_100000184898 [1,0,0,0,0,1|2,0,0]=4 510 B19R2.58 Cc1ccc(nc1)OCCc2ccc(cc2)C#N 34a_100000759353_100012161189 [1,0,0,0,0,1|2,0,0]=4 511 B19R2.58 Cc1ccc(nc1)SCCc2ccc(cc2)C#N 62a_100011192072_100012161189 [1,0,0,0,0,1|2,0,0]=4 512 B19R2.58 Cc1ccc(nn1)NCCc2ccc(cc2)C#N 27a_100015189369_100000744512 [1,0,0,0,0,1|1,0,1]=4 513 B19R2.58 Cc1ccc(nn1)SCCc2ccc(cc2)C#N 62a_100000744512_100012161189 [1,0,0,0,0,1|1,0,1]=4 514 B19R2.58 N#Cc1ccc(cc1)CCNc2ccc(cn2)Br 27a_100015189369_100000686858 [1,0,0,0,0,1|2,0,0]=4 515 B19R2.58 N#Cc1ccc(cc1)CCOc2ccc(=O)[nH]c2 34a_100000075641_100012161189 [1,0,0,0,0,1|1,0,0]=3 516 B19R2.58 N#Cc1ccc(cc1)CCOc2ccc(cn2)Cl 34a_100011215309_100012161189 [1,0,0,0,0,1|2,0,0]=4 517 B19R2.58 N#Cc1ccc(cc1)CCOc2ccc(cn2)F 34a_100000742473_100012161189 [1,0,0,0,0,1|2,0,0]=4 518 B19R2.58 N#Cc1ccc(cc1)CCOc2ccc(cn2)N 34a_100000729260_100012161189 [1,0,0,0,0,1|2,0,0]=4 519 B19R2.58 N#Cc1ccc(cc1)CCSc2ccc(=O)[nH]c2 62a_100000212171_100012161189 [1,0,0,0,0,1|1,0,0]=3 520 B19R2.58 N#Cc1ccc(cc1)CCSc2ccc(=O)[nH]n2 62a_100009820020_100012161189 [1,0,0,0,0,1|0,0,0]=2 521 B19R2.58 N#Cc1ccc(cc1)CCSc2ccc(cn2)Br 62a_100000686858_100012161189 [1,0,0,0,0,1|2,0,0]=4 522 B19R2.58 N#Cc1ccc(cc1)CCSc2ccc(cn2)Cl 62a_100011356976_100012161189 [1,0,0,0,0,1|2,0,0]=4 523 B19R2.58 N#Cc1ccc(cc1)CCSc2ccc(cn2)F 62a_100000744514_100012161189 [1,0,0,0,0,1|2,0,0]=4 524 B19R2.58 N#Cc1ccc(cc1)CCSc2ccc(cn2)N 62a_100000737798_100012161189 [1,0,0,0,0,1|2,0,0]=4 525 B19R2.58 N#Cc1ccc(cc1)CCSc2ccc(cn2)O 62a_100000685995_100012161189 [1,0,0,0,0,1|1,0,1]=4 526 B19R2.58 N#Cc1ccc(cc1)CCSc2ccc(nn2)Cl 62a_100000068654_100012161189 [1,0,0,0,0,1|1,0,1]=4 527 B19R2.58 N#Cc1ccc(cc1)CCSc2ccc(nn2)N 62a_100010219413_100012161189 [1,0,0,0,0,1|1,0,1]=4 528 B19R2.58 N#Cc1ccc(cc1)CCSc2cnc(=O)[nH]c2 62a_102495366499_100012161189 [1,0,0,0,0,1|2,0,0]=4 529 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(=O)[nH]n2 207a_100015207190_100011361533 [1,0,0,0,0,1|0,0,0]=2 530 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(=O)[nH]n2 270004a_100015207190_100011361533 [1,0,0,0,0,1|0,0,0]=2 531 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)Br 207a_100015207190_100000754260 [1,0,0,0,0,1|2,0,0]=4 532 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)Br 270004a_100015207190_100000754260 [1,0,0,0,0,1|2,0,0]=4 533 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)Br 34a_100015188789_100000184898 [1,0,0,0,0,1|2,0,0]=4 534 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)Br 34a_100015207190_100000702658 [1,0,0,0,0,1|2,0,0]=4 535 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)Cl 207a_100015207190_100011361569 [1,0,0,0,0,1|2,0,0]=4 536 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)Cl 270004a_100000697193_100000211122 [1,0,0,0,0,1|2,0,0]=4 537 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)Cl 270004a_100015207190_100011361569 [1,0,0,0,0,1|2,0,0]=4 538 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)Cl 34a_100000697193_100000184898 [1,0,0,0,0,1|2,0,0]=4 539 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)Cl 34a_100015207190_100012066911 [1,0,0,0,0,1|2,0,0]=4 540 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)F 207a_100015207190_100011934744 [1,0,0,0,0,1|2,0,0]=4 541 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)F 270004a_100015207190_100011934744 [1,0,0,0,0,1|2,0,0]=4 542 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)F 34a_100015207190_100000703193 [1,0,0,0,0,1|2,0,0]=4 543 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(cn2)F 34a_100020620131_100000184898 [1,0,0,0,0,1|2,0,0]=4 544 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(nn2)Cl 270004a_100015207190_100000044651 [1,0,0,0,0,1|1,0,1]=4 545 B19R2.58 N#Cc1ccc(cc1)CNCc2ccc(nn2)Cl 34a_100015207190_100016992710 [1,0,0,0,0,1|1,0,1]=4 546 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(=O)[nH]c2 34a_100011999846_100000184898 [1,0,0,0,0,1|1,0,0]=3 547 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)Br 34a_100000238739_100000702658 [1,0,0,0,0,1|2,0,0]=4 548 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)Br 34a_100000754261_100000184898 [1,0,0,0,0,1|2,0,0]=4 549 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)Br 7a_100000238739_100000702658 [1,0,0,0,0,1|2,0,0]=4 550 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)Cl 34a_100000238739_100012066911 [1,0,0,0,0,1|2,0,0]=4 551 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)Cl 34a_100000703999_100000184898 [1,0,0,0,0,1|2,0,0]=4 552 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)Cl 7a_100000238739_100012066911 [1,0,0,0,0,1|2,0,0]=4 553 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)F 34a_100000238739_100000703193 [1,0,0,0,0,1|2,0,0]=4 554 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)F 34a_100011999454_100000184898 [1,0,0,0,0,1|2,0,0]=4 555 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)F 7a_100000238739_100000703193 [1,0,0,0,0,1|2,0,0]=4 556 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(cn2)N 34a_100011998161_100000184898 [1,0,0,0,0,1|2,0,0]=4 557 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(nn2)Cl 34a_100000238739_100016992710 [1,0,0,0,0,1|1,0,1]=4 558 B19R2.58 N#Cc1ccc(cc1)COCc2ccc(nn2)Cl 7a_100000238739_100016992710 [1,0,0,0,0,1|1,0,1]=4 559 B19R2.58 N#Cc1ccc(cc1)CSCc2ccc(cn2)Br 62a_100000702658_100000184898 [1,0,0,0,0,1|2,0,0]=4 560 B19R2.58 N#Cc1ccc(cc1)CSCc2ccc(cn2)Cl 62a_100012066911_100000184898 [1,0,0,0,0,1|2,0,0]=4 561 B19R2.58 N#Cc1ccc(cc1)CSCc2ccc(cn2)F 62a_100000703193_100000184898 [1,0,0,0,0,1|2,0,0]=4 562 B19R2.58 N#Cc1ccc(cc1)CSCc2ccc(nn2)Cl 62a_100016992710_100000184898 [1,0,0,0,0,1|1,0,1]=4 563 B19R2.58 N#Cc1ccc(cc1)NN=Cc2ccc(=O)[nH]n2 4a_100000739705_100011361533 [1,0,0,0,0,1|1,0,1]=4 564 B19R2.58 N#Cc1ccc(cn1)COCc2ccc(=O)[nH]c2 34a_100011999846_100009816919 [1,0,0,0,0,1|2,0,0]=4 565 B19R2.58 N#Cc1ccc(nc1)COCc2ccc(=O)[nH]c2 34a_100011999846_100000693164 [1,0,0,0,0,1|2,0,0]=4 566 B19R2.58 O=c1ccc(n[nH]1)CNCc2ccc(cc2)CO 207a_100015189231_100011361533 [1,0,0,0,0,1|1,0,1]=4 567 B19R2.58 O=c1ccc(n[nH]1)CNCc2ccc(cc2)CO 270004a_100015189231_100011361533 [1,0,0,0,0,1|1,0,1]=4 568 B19R2.56 Cc1ccnc(c1)CNCc2ccc(cc2)C#N 207a_100015207190_100011361488 [1,0,0,0,0,1|2,0,0]=4 569 B19R2.56 Cc1ccnc(c1)CNCc2ccc(cc2)C#N 270004a_100015207190_100011361488 [1,0,0,0,0,1|2,0,0]=4 570 B19R2.56 Cc1ccnc(c1)CNCc2ccc(cc2)C#N 34a_100015207190_100000718516 [1,0,0,0,0,1|2,0,0]=4 571 B19R2.56 Cc1ccnc(c1)COCc2ccc(cc2)C#N 34a_100000238739_100000718516 [1,0,0,0,0,1|2,0,0]=4 572 B19R2.56 Cc1ccnc(c1)COCc2ccc(cc2)C#N 34a_100011998357_100000184898 [1,0,0,0,0,1|2,0,0]=4 573 B19R2.56 Cc1ccnc(c1)COCc2ccc(cc2)C#N 7a_100000238739_100000718516 [1,0,0,0,0,1|2,0,0]=4 574 B19R2.56 Cc1ccnc(c1)CSCc2ccc(cc2)C#N 62a_100000718516_100000184898 [1,0,0,0,0,1|2,0,0]=4 575 B19R2.56 Cc1ccnc(c1)SCCc2ccc(cc2)C#N 62a_100000750283_100012161189 [1,0,0,0,0,1|2,0,0]=4 576 B19R2.56 Cc1cnnc(c1)COCc2ccc(cc2)C#N 34a_100016212594_100000184898 [1,0,0,0,0,1|1,0,1]=4 577 B19R2.56 Cc1cnnc(c1)NCCc2ccc(cc2)C#N 27a_100015189369_100000070100 [1,0,0,0,0,1|1,0,1]=4 578 B19R2.56 Cc1cnnc(c1)OCCc2ccc(cc2)C#N 34a_100000766097_100012161189 [1,0,0,0,0,1|1,0,1]=4 579 B19R2.56 Cc1cnnc(c1)SCCc2ccc(cc2)C#N 62a_100000070100_100012161189 [1,0,0,0,0,1|1,0,1]=4 580 B19R2.56 N#Cc1ccc(cc1)CCNc2cc(ccn2)F 27a_100015189369_100000764206 [1,0,0,0,0,1|2,0,0]=4 581 B19R2.56 N#Cc1ccc(cc1)CCNc2cc(ncn2)O 27a_100015189369_100000765262 [1,0,0,0,0,1|2,0,0]=4 582 B19R2.56 N#Cc1ccc(cc1)CCNc2cccc(c2)O 34a_100000210217_100012161189 [1,0,0,0,0,1|2,0,0]=4 583 B19R2.56 N#Cc1ccc(cc1)CCNc2nccc(n2)O 27a_100015189369_100011649813 [1,0,0,0,0,1|2,0,0]=4 584 B19R2.56 N#Cc1ccc(cc1)CCSc2cc(ccn2)Cl 62a_100010167805_100012161189 [1,0,0,0,0,1|2,0,0]=4 585 B19R2.56 N#Cc1ccc(cc1)CCSc2cc(ccn2)F 62a_100000764206_100012161189 [1,0,0,0,0,1|2,0,0]=4 586 B19R2.56 N#Cc1ccc(cc1)CCSc2cc(ccn2)N 62a_100009814236_100012161189 [1,0,0,0,0,1|2,0,0]=4 587 B19R2.56 N#Cc1ccc(cc1)CCSc2cc(cnn2)N 62a_100011996757_100012161189 [1,0,0,0,0,1|1,0,1]=4 588 B19R2.56 N#Cc1ccc(cc1)CCSc2cncc(c2)O 62a_100000754920_100012161189 [1,0,0,0,0,1|1,0,1]=4 589 B19R2.56 N#Cc1ccc(cc1)CNCc2cc(ccn2)Br 270004a_100015207190_100009818557 [1,0,0,0,0,1|2,0,0]=4 590 B19R2.56 N#Cc1ccc(cc1)CNCc2cc(ccn2)Br 34a_100015207190_100010173614 [1,0,0,0,0,1|2,0,0]=4 591 B19R2.56 N#Cc1ccc(cc1)CNCc2cc(ccn2)Cl 270004a_100015207190_100011998288 [1,0,0,0,0,1|2,0,0]=4 592 B19R2.56 N#Cc1ccc(cc1)CNCc2cc(ccn2)Cl 34a_100015207190_100016988179 [1,0,0,0,0,1|2,0,0]=4 593 B19R2.56 N#Cc1ccc(cc1)CNCc2cccc(c2)O 207a_100000743036_100000211122 [1,0,0,0,0,1|2,0,0]=4 594 B19R2.56 N#Cc1ccc(cc1)CNCc2cccc(c2)O 207a_100015207190_100000188321 [1,0,0,0,0,1|2,0,0]=4 595 B19R2.56 N#Cc1ccc(cc1)CNCc2cccc(c2)O 2230a_100000743036_100000184898 [1,0,0,0,0,1|2,0,0]=4 596 B19R2.56 N#Cc1ccc(cc1)CNCc2cccc(c2)O 270004a_100000743036_100000211122 [1,0,0,0,0,1|2,0,0]=4 597 B19R2.56 N#Cc1ccc(cc1)CNCc2cccc(c2)O 270004a_100015207190_100000188321 [1,0,0,0,0,1|2,0,0]=4 598 B19R2.56 N#Cc1ccc(cc1)CNCc2cccc(c2)O 34a_100000743036_100000184898 [1,0,0,0,0,1|2,0,0]=4 599 B19R2.56 N#Cc1ccc(cc1)CNCc2cccc(c2)O 34a_100015207190_100011660834 [1,0,0,0,0,1|2,0,0]=4 600 B19R2.56 N#Cc1ccc(cc1)CNCc2cncc(c2)O 207a_100015207190_100012187055 [1,0,0,0,0,1|1,0,1]=4 601 B19R2.56 N#Cc1ccc(cc1)CNCc2cncc(c2)O 270004a_100015207190_100012187055 [1,0,0,0,0,1|1,0,1]=4 602 B19R2.56 N#Cc1ccc(cc1)COCc2cc(ccn2)Br 34a_100000238739_100010173614 [1,0,0,0,0,1|2,0,0]=4 603 B19R2.56 N#Cc1ccc(cc1)COCc2cc(ccn2)Br 7a_100000238739_100010173614 [1,0,0,0,0,1|2,0,0]=4 604 B19R2.56 N#Cc1ccc(cc1)COCc2cc(ccn2)Cl 34a_100000238739_100016988179 [1,0,0,0,0,1|2,0,0]=4 605 B19R2.56 N#Cc1ccc(cc1)COCc2cc(ccn2)Cl 34a_100000748867_100000184898 [1,0,0,0,0,1|2,0,0]=4 606 B19R2.56 N#Cc1ccc(cc1)COCc2cc(ccn2)Cl 7a_100000238739_100016988179 [1,0,0,0,0,1|2,0,0]=4 607 B19R2.56 N#Cc1ccc(cc1)COCc2cc(ccn2)N 34a_100000692640_100000184898 [1,0,0,0,0,1|2,0,0]=4 608 B19R2.56 N#Cc1ccc(cc1)COCc2cccc(c2)O 34a_100000238739_100011660834 [1,0,0,0,0,1|2,0,0]=4 609 B19R2.56 N#Cc1ccc(cc1)COCc2cccc(c2)O 7a_100000238739_100000084143 [1,0,0,0,0,1|2,0,0]=4 610 B19R2.56 N#Cc1ccc(cc1)CSCc2cc(ccn2)Br 62a_100010173614_100000184898 [1,0,0,0,0,1|2,0,0]=4 611 B19R2.56 N#Cc1ccc(cc1)CSCc2cc(ccn2)Cl 62a_100016988179_100000184898 [1,0,0,0,0,1|2,0,0]=4 612 B19R2.56 N#Cc1ccc(cc1)CSCc2cccc(c2)O 62a_100011660834_100000184898 [1,0,0,0,0,1|2,0,0]=4 613 B19R2.12305 Cc1cc(n[nH]c1=O)SCCc2ccc(cc2)Br 62a_100011740612_100012187101 [1,0,0,0,0,1|2,0,0]=4 614 B19R2.12305 Cc1cc(n[nH]c1=O)SCCc2ccc(cc2)Cl 62a_100011713675_100012187101 [1,0,0,0,0,1|2,0,0]=4 615 B19R2.12305 Cc1cc(n[nH]c1=O)SCCc2ccc(cc2)F 62a_100011217392_100012187101 [1,0,0,0,0,1|2,0,0]=4 616 B19R2.12305 Cc1cc(n[nH]c1=O)SCCc2ccc(cc2)O 62a_100009816426_100012187101 [1,0,0,0,0,1|2,0,0]=4 617 B19R2.12305 Cc1ccc(cc1)CCSc2c[nH]c(=O)c(c2)O 62a_100011713686_100009814561 [1,0,0,0,0,1|1,0,1]=4 618 B19R2.12305 Cc1ccc(cc1)CCSc2cc(c(=O)[nH]n2)C 62a_100011713686_100012187101 [1,0,0,0,0,1|1,0,1]=4 619 B19R2.12305 Cc1ccc(cc1)CCSc2cc(c(=O)[nH]n2)N 62a_100011713686_100000102183 [1,0,0,0,0,1|1,0,1]=4 620 B19R2.12305 Nc1cc(n[nH]c1=O)SCCc2ccc(cc2)Br 62a_100011740612_100000102183 [1,0,0,0,0,1|2,0,0]=4 621 B19R2.12305 Nc1cc(n[nH]c1=O)SCCc2ccc(cc2)Cl 62a_100011713675_100000102183 [1,0,0,0,0,1|2,0,0]=4 622 B19R2.12305 Nc1cc(n[nH]c1=O)SCCc2ccc(cc2)F 62a_100011217392_100000102183 [1,0,0,0,0,1|2,0,0]=4 623 B19R2.12305 Nc1cc(n[nH]c1=O)SCCc2ccc(cc2)O 62a_100009816426_100000102183 [1,0,0,0,0,1|2,0,0]=4 624 B19R2.12305 O=c1[nH]cc(cc1O)SCCc2ccc(cc2)Br 62a_100011740612_100009814561 [1,0,0,0,0,1|2,0,0]=4 625 B19R2.12305 O=c1[nH]cc(cc1O)SCCc2ccc(cc2)Cl 62a_100011713675_100009814561 [1,0,0,0,0,1|2,0,0]=4 626 B19R2.12305 O=c1[nH]cc(cc1O)SCCc2ccc(cc2)F 62a_100011217392_100009814561 [1,0,0,0,0,1|2,0,0]=4 627 B19R2.12305 O=c1[nH]cc(cc1O)SCCc2ccc(cc2)O 62a_100009816426_100009814561 [1,0,0,0,0,1|2,0,0]=4 628 B21R2.6510 Cc1cc(n[nH]c1=O)SCCOc2ccc(cc2)C#N 62a_100000184558_100012187101 [0,0,0,0,0,2|1,0,0]=3 629 B21R2.6510 Cc1cnc(cc1O)SCCOc2ccc(cc2)C#N 62a_100000184558_100000704368 [0,0,0,0,0,2|2,0,0]=4 630 B21R2.6510 Cc1cnc(cc1O)SCCOc2ccc(cc2)C#N 62a_100000704368_100000184558 [0,0,0,0,0,2|2,0,0]=4 631 B21R2.6510 N#Cc1ccc(cc1)CCNCc2c[nH]c(=O)c(c2)Cl 207a_100015189369_100000051075 [0,0,0,0,0,2|2,0,0]=4 632 B21R2.6510 N#Cc1ccc(cc1)CCNCc2c[nH]c(=O)c(c2)Cl 270004a_100015189369_100000051075 [0,0,0,0,0,2|2,0,0]=4 633 B21R2.6510 N#Cc1ccc(cc1)OCCSc2c[nH]c(=O)c(c2)Br 62a_100000184558_100010125443 [0,0,0,0,0,2|2,0,0]=4 634 B21R2.6510 N#Cc1ccc(cc1)OCCSc2c[nH]c(=O)c(c2)Br 62a_100010125443_100000184558 [0,0,0,0,0,2|2,0,0]=4 635 B21R2.6510 N#Cc1ccc(cc1)OCCSc2c[nH]c(=O)c(c2)F 62a_100000184558_100000723523 [0,0,0,0,0,2|2,0,0]=4 636 B21R2.6510 N#Cc1ccc(cc1)OCCSc2c[nH]c(=O)c(c2)F 62a_100000723523_100000184558 [0,0,0,0,0,2|2,0,0]=4 637 B21R2.6510 N#Cc1ccc(cc1)OCCSc2c[nH]c(=O)c(c2)O 62a_100000184558_100009814561 [0,0,0,0,0,2|1,0,0]=3 638 B21R2.6510 N#Cc1ccc(cc1)OCCSc2cc(c(=O)[nH]n2)N 62a_100000184558_100000102183 [0,0,0,0,0,2|1,0,0]=3 639 B21R2.6510 N#Cc1ccc(cc1)OCCSc2cc(c(cn2)F)O 62a_100000184558_100009854642 [0,0,0,0,0,2|2,0,0]=4 640 B21R2.6510 N#Cc1ccc(cc1)OCCSc2cc(c(cn2)F)O 62a_100009854642_100000184558 [0,0,0,0,0,2|2,0,0]=4