0 B17R2.5678 C=C(C)c1ccccc1NCC2=NCCN2 34a_100000037685_100000737910 [0,0,0,0,0,0|1,0,2]=3 1 B17R2.5678 CC(=O)c1ccccc1SCC2=NCCN2 62a_100000751169_100000737910 [0,0,0,0,0,0|1,1,1]=3 2 B17R2.5678 CC(=O)c1cccnc1SCC2=NCCN2 62a_100000737910_100000753718 [0,0,0,0,0,0|2,1,1]=4 3 B17R2.5678 CC(=O)c1cccnc1SCC2=NCCN2 62a_100000753718_100000737910 [0,0,0,0,0,0|2,1,1]=4 4 B17R2.5678 CC(=O)c1ccncc1OCC2=NCCN2 7a_100009872882_100000737910 [0,0,0,0,0,0|2,0,1]=3 5 B17R2.5678 CC(=O)c1ccncc1SCC2=NCCN2 62a_100000737910_100009993184 [0,0,0,0,0,0|2,1,1]=4 6 B17R2.5678 CC(=O)c1ccncc1SCC2=NCCN2 62a_100009993184_100000737910 [0,0,0,0,0,0|2,1,1]=4 7 B17R2.5678 CC(=O)c1cnccc1SCC2=NCCN2 62a_100000737910_100160469449 [0,0,0,0,0,0|2,1,1]=4 8 B17R2.5678 CC(=O)c1cnccc1SCC2=NCCN2 62a_100160469449_100000737910 [0,0,0,0,0,0|2,1,1]=4 9 B17R2.5678 CC(=O)c1ncccc1OCC2=NCCN2 34a_100000087166_100000737910 [0,0,0,0,0,0|2,0,1]=3 10 B17R2.5678 CC(=O)c1ncccc1OCC2=NCCN2 7a_100000087166_100000737910 [0,0,0,0,0,0|2,0,1]=3 11 B17R2.5678 CC(=O)c1ncccc1SCC2=NCCN2 62a_100000737910_100012348690 [0,0,0,0,0,0|2,1,1]=4 12 B17R2.5678 CC(=O)c1ncccc1SCC2=NCCN2 62a_100012348690_100000737910 [0,0,0,0,0,0|2,1,1]=4 13 B17R2.5678 CC(C)c1ccccc1NCC2=NCCN2 34a_100000210643_100000737910 [0,0,0,0,0,0|1,0,0]=1 14 B17R2.5678 CC(C)c1ccccc1NCC2=NCCN2 7a_100000210643_100000737910 [0,0,0,0,0,0|1,0,0]=1 15 B17R2.5678 CC(C)c1ccccc1NCC2CCCC2 2230a_100000210643_100000740388 [0,0,0,0,0,0|3,0,1]=4 16 B17R2.5678 CC(C)c1ccccc1NCC2CCCC2 34a_100000210643_100000740388 [0,0,0,0,0,0|3,0,1]=4 17 B17R2.5678 CC(C)c1ccccc1NCC2CCCC2 7a_100000210643_100000740388 [0,0,0,0,0,0|3,0,1]=4 18 B17R2.5678 CC(C)c1ccccc1NCC2CCCO2 2230a_100000210643_100000203698 [0,0,0,0,0,0|3,0,1]=4 19 B17R2.5678 CC(C)c1ccccc1NCC2CCCO2 7a_100000210643_100000203698 [0,0,0,0,0,0|3,0,1]=4 20 B17R2.5678 CC(C)c1ccccc1NCC2OCCO2 2230a_100000210643_100000755774 [0,0,0,0,0,0|3,0,1]=4 21 B17R2.5678 CC(C)c1ccccc1NCC2OCCO2 34a_100000210643_100000755774 [0,0,0,0,0,0|3,0,1]=4 22 B17R2.5678 CC(C)c1ccccc1NCC2OCCO2 7a_100000210643_100000755774 [0,0,0,0,0,0|3,0,1]=4 23 B17R2.5678 CC(C)c1ccccc1NCc2c[nH]cn2 2230a_100000210643_100000707719 [0,0,0,0,0,0|3,0,1]=4 24 B17R2.5678 CC(C)c1ccccc1NCc2c[nH]cn2 34a_100000210643_100000707719 [0,0,0,0,0,0|3,0,1]=4 25 B17R2.5678 CC(C)c1ccccc1NCc2cc[nH]n2 207a_100000210643_100000738523 [0,0,0,0,0,0|3,0,1]=4 26 B17R2.5678 CC(C)c1ccccc1NCc2ccn[nH]2 2230a_100000210643_100000728653 [0,0,0,0,0,0|3,0,1]=4 27 B17R2.5678 CC(C)c1ccccc1NCc2ccn[nH]2 34a_100000210643_100000728653 [0,0,0,0,0,0|3,0,1]=4 28 B17R2.5678 CC(C)c1ccccc1NCc2ccn[nH]2 7a_100000210643_100000728653 [0,0,0,0,0,0|3,0,1]=4 29 B17R2.5678 CC(C)c1ccccc1NCc2ccon2 2230a_100000210643_100000234950 [0,0,0,0,0,0|3,0,1]=4 30 B17R2.5678 CC(C)c1ccccc1NCc2ccon2 34a_100000210643_100000234950 [0,0,0,0,0,0|3,0,1]=4 31 B17R2.5678 CC(C)c1ccccc1NCc2ccon2 7a_100000210643_100000234950 [0,0,0,0,0,0|3,0,1]=4 32 B17R2.5678 CC(C)c1ccccc1NCc2cnc[nH]2 207a_100000210643_100000742939 [0,0,0,0,0,0|3,0,1]=4 33 B17R2.5678 CC(C)c1ccccc1NCc2cscn2 207a_100000210643_100000743575 [0,0,0,0,0,0|3,0,1]=4 34 B17R2.5678 CC(C)c1ccccc1NCc2cscn2 2230a_100000210643_100000205941 [0,0,0,0,0,0|3,0,1]=4 35 B17R2.5678 CC(C)c1ccccc1NCc2cscn2 270302a_100000210643_100000743575 [0,0,0,0,0,0|3,0,1]=4 36 B17R2.5678 CC(C)c1ccccc1NCc2cscn2 34a_100000210643_100000205941 [0,0,0,0,0,0|3,0,1]=4 37 B17R2.5678 CC(C)c1ccccc1NCc2cscn2 7a_100000210643_100000205941 [0,0,0,0,0,0|3,0,1]=4 38 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 207a_100000210643_100000743867 [0,0,0,0,0,0|1,0,2]=3 39 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 2230a_100000210643_100016991755 [0,0,0,0,0,0|1,0,2]=3 40 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 34a_100000210643_100016991755 [0,0,0,0,0,0|1,0,2]=3 41 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 7a_100000210643_100000753453 [0,0,0,0,0,0|1,0,2]=3 42 B17R2.5678 CC(C)c1ccccc1NCc2ncco2 2230a_100000210643_103436540062 [0,0,0,0,0,0|2,0,2]=4 43 B17R2.5678 CC(C)c1ccccc1NCc2ncco2 34a_100000210643_103436540062 [0,0,0,0,0,0|2,0,2]=4 44 B17R2.5678 CC(C)c1ccccc1NCc2ncco2 7a_100000210643_103436540062 [0,0,0,0,0,0|2,0,2]=4 45 B17R2.5678 CC(C)c1ccccc1NCc2nccs2 207a_100000210643_100000750902 [0,0,0,0,0,0|2,0,2]=4 46 B17R2.5678 CC(C)c1ccccc1NCc2nccs2 2230a_100000210643_100015184050 [0,0,0,0,0,0|2,0,2]=4 47 B17R2.5678 CC(C)c1ccccc1NCc2nccs2 270302a_100000210643_100000750902 [0,0,0,0,0,0|2,0,2]=4 48 B17R2.5678 CC(C)c1ccccc1NCc2nccs2 34a_100000210643_100015184050 [0,0,0,0,0,0|2,0,2]=4 49 B17R2.5678 CC(C)c1ccccc1NCc2nccs2 7a_100000210643_100015184050 [0,0,0,0,0,0|2,0,2]=4 50 B17R2.5678 CC(C)c1ccccc1NCc2ncon2 34a_100000210643_100000233494 [0,0,0,0,0,0|2,0,2]=4 51 B17R2.5678 CC(C)c1ccccc1NCc2nnn[nH]2 34a_100000210643_100000765167 [0,0,0,0,0,0|3,0,0]=3 52 B17R2.5678 CC(C)c1ccccc1NCc2nnn[nH]2 7a_100000210643_100000765167 [0,0,0,0,0,0|3,0,0]=3 53 B17R2.5678 CC(C)c1ccccc1NN=C2CCCC2 4a_100020603696_100000210133 [0,0,0,0,0,0|4,0,0]=4 54 B17R2.5678 CC(C)c1ccccc1OCC2=NCCN2 34a_100000211617_100000737910 [0,0,0,0,0,0|0,0,0]=0 55 B17R2.5678 CC(C)c1ccccc1OCC2=NCCN2 7a_100000211617_100000737910 [0,0,0,0,0,0|0,0,0]=0 56 B17R2.5678 CC(C)c1ccccc1OCC2CCCC2 34a_100000211617_100000740388 [0,0,0,0,0,0|2,0,1]=3 57 B17R2.5678 CC(C)c1ccccc1OCC2CCCC2 7a_100000211617_100000740388 [0,0,0,0,0,0|2,0,1]=3 58 B17R2.5678 CC(C)c1ccccc1OCC2CCCO2 7a_100000211617_100000203698 [0,0,0,0,0,0|2,0,1]=3 59 B17R2.5678 CC(C)c1ccccc1OCC2CCOC2 34a_100000211617_100011261433 [0,0,0,0,0,0|3,0,1]=4 60 B17R2.5678 CC(C)c1ccccc1OCC2CCOC2 7a_100000211617_100000702531 [0,0,0,0,0,0|3,0,1]=4 61 B17R2.5678 CC(C)c1ccccc1OCC2OCCO2 34a_100000211617_100000755774 [0,0,0,0,0,0|2,0,1]=3 62 B17R2.5678 CC(C)c1ccccc1OCC2OCCO2 7a_100000211617_100000755774 [0,0,0,0,0,0|2,0,1]=3 63 B17R2.5678 CC(C)c1ccccc1OCc2c[nH]cn2 34a_100000211617_100000707719 [0,0,0,0,0,0|2,0,1]=3 64 B17R2.5678 CC(C)c1ccccc1OCc2ccn[nH]2 34a_100000211617_100000728653 [0,0,0,0,0,0|2,0,1]=3 65 B17R2.5678 CC(C)c1ccccc1OCc2ccn[nH]2 7a_100000211617_100000728653 [0,0,0,0,0,0|2,0,1]=3 66 B17R2.5678 CC(C)c1ccccc1OCc2ccon2 34a_100000211617_100000234950 [0,0,0,0,0,0|2,0,1]=3 67 B17R2.5678 CC(C)c1ccccc1OCc2ccon2 7a_100000211617_100000234950 [0,0,0,0,0,0|2,0,1]=3 68 B17R2.5678 CC(C)c1ccccc1OCc2ccsc2 34a_100000211617_100011261437 [0,0,0,0,0,0|3,0,1]=4 69 B17R2.5678 CC(C)c1ccccc1OCc2ccsc2 7a_100000211617_100011261437 [0,0,0,0,0,0|3,0,1]=4 70 B17R2.5678 CC(C)c1ccccc1OCc2cncs2 34a_100000211617_100015185245 [0,0,0,0,0,0|3,0,1]=4 71 B17R2.5678 CC(C)c1ccccc1OCc2cncs2 7a_100000211617_100015185245 [0,0,0,0,0,0|3,0,1]=4 72 B17R2.5678 CC(C)c1ccccc1OCc2cscn2 34a_100000211617_100000205941 [0,0,0,0,0,0|2,0,1]=3 73 B17R2.5678 CC(C)c1ccccc1OCc2cscn2 7a_100000211617_100000205941 [0,0,0,0,0,0|2,0,1]=3 74 B17R2.5678 CC(C)c1ccccc1OCc2ncc[nH]2 34a_100000211617_100016991755 [0,0,0,0,0,0|0,0,2]=2 75 B17R2.5678 CC(C)c1ccccc1OCc2ncc[nH]2 7a_100000211617_100000753453 [0,0,0,0,0,0|0,0,2]=2 76 B17R2.5678 CC(C)c1ccccc1OCc2ncco2 34a_100000211617_103436540062 [0,0,0,0,0,0|1,0,2]=3 77 B17R2.5678 CC(C)c1ccccc1OCc2ncco2 7a_100000211617_103436540062 [0,0,0,0,0,0|1,0,2]=3 78 B17R2.5678 CC(C)c1ccccc1OCc2nccs2 34a_100000211617_100015184050 [0,0,0,0,0,0|1,0,2]=3 79 B17R2.5678 CC(C)c1ccccc1OCc2nccs2 7a_100000211617_100015184050 [0,0,0,0,0,0|1,0,2]=3 80 B17R2.5678 CC(C)c1ccccc1OCc2ncon2 34a_100000211617_100000233494 [0,0,0,0,0,0|1,0,2]=3 81 B17R2.5678 CC(C)c1ccccc1OCc2nnn[nH]2 34a_100000211617_100000765167 [0,0,0,0,0,0|2,0,0]=2 82 B17R2.5678 CC(C)c1ccccc1OCc2nnn[nH]2 7a_100000211617_100000765167 [0,0,0,0,0,0|2,0,0]=2 83 B17R2.5678 CC(C)c1ccccc1OCn2cncn2 34a_100000211617_200020645497 [0,0,0,0,0,0|3,0,1]=4 84 B17R2.5678 CC(C)c1ccccc1OCn2cncn2 7a_100000211617_200020645497 [0,0,0,0,0,0|3,0,1]=4 85 B17R2.5678 CC(C)c1ccccc1SCC2=NCCN2 62a_100000708600_100000737910 [0,0,0,0,0,0|0,1,0]=1 86 B17R2.5678 CC(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100000708600 [0,0,0,0,0,0|0,1,0]=1 87 B17R2.5678 CC(C)c1ccccc1SCC2CCCC2 62a_100000708600_100000740388 [0,0,0,0,0,0|2,1,1]=4 88 B17R2.5678 CC(C)c1ccccc1SCC2CCCC2 62a_100000740388_100000708600 [0,0,0,0,0,0|2,1,1]=4 89 B17R2.5678 CC(C)c1ccccc1SCC2CCCO2 62a_100000203698_100000708600 [0,0,0,0,0,0|2,1,1]=4 90 B17R2.5678 CC(C)c1ccccc1SCC2CCCO2 62a_100000708600_100000203698 [0,0,0,0,0,0|2,1,1]=4 91 B17R2.5678 CC(C)c1ccccc1SCC2OCCO2 62a_100000708600_100000755774 [0,0,0,0,0,0|2,1,1]=4 92 B17R2.5678 CC(C)c1ccccc1SCC2OCCO2 62a_100000755774_100000708600 [0,0,0,0,0,0|2,1,1]=4 93 B17R2.5678 CC(C)c1ccccc1SCc2c[nH]cn2 62a_100000707719_100000708600 [0,0,0,0,0,0|2,1,1]=4 94 B17R2.5678 CC(C)c1ccccc1SCc2c[nH]cn2 62a_100000708600_100000707719 [0,0,0,0,0,0|2,1,1]=4 95 B17R2.5678 CC(C)c1ccccc1SCc2ccn[nH]2 62a_100000708600_100000728653 [0,0,0,0,0,0|2,1,1]=4 96 B17R2.5678 CC(C)c1ccccc1SCc2ccn[nH]2 62a_100000728653_100000708600 [0,0,0,0,0,0|2,1,1]=4 97 B17R2.5678 CC(C)c1ccccc1SCc2ccon2 62a_100000234950_100000708600 [0,0,0,0,0,0|2,1,1]=4 98 B17R2.5678 CC(C)c1ccccc1SCc2ccon2 62a_100000708600_100000234950 [0,0,0,0,0,0|2,1,1]=4 99 B17R2.5678 CC(C)c1ccccc1SCc2cscn2 62a_100000205941_100000708600 [0,0,0,0,0,0|2,1,1]=4 100 B17R2.5678 CC(C)c1ccccc1SCc2cscn2 62a_100000708600_100000205941 [0,0,0,0,0,0|2,1,1]=4 101 B17R2.5678 CC(C)c1ccccc1SCc2ncc[nH]2 62a_100000708600_100016991755 [0,0,0,0,0,0|0,1,2]=3 102 B17R2.5678 CC(C)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100000708600 [0,0,0,0,0,0|0,1,2]=3 103 B17R2.5678 CC(C)c1ccccc1SCc2ncco2 62a_100000708600_103436540062 [0,0,0,0,0,0|1,1,2]=4 104 B17R2.5678 CC(C)c1ccccc1SCc2ncco2 62a_103436540062_100000708600 [0,0,0,0,0,0|1,1,2]=4 105 B17R2.5678 CC(C)c1ccccc1SCc2nccs2 62a_100000708600_100015184050 [0,0,0,0,0,0|1,1,2]=4 106 B17R2.5678 CC(C)c1ccccc1SCc2nccs2 62a_100015184050_100000708600 [0,0,0,0,0,0|1,1,2]=4 107 B17R2.5678 CC(C)c1ccccc1SCc2ncon2 62a_100000233494_100000708600 [0,0,0,0,0,0|1,1,2]=4 108 B17R2.5678 CC(C)c1ccccc1SCc2ncon2 62a_100000708600_100000233494 [0,0,0,0,0,0|1,1,2]=4 109 B17R2.5678 CC(C)c1ccccc1SCc2nnn[nH]2 62a_100000708600_100000765167 [0,0,0,0,0,0|2,1,0]=3 110 B17R2.5678 CC(C)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100000708600 [0,0,0,0,0,0|2,1,0]=3 111 B17R2.5678 CC(C)c1cccnc1SCC2=NCCN2 62a_100000737910_200010382935 [0,0,0,0,0,0|1,1,0]=2 112 B17R2.5678 CC(C)c1cccnc1SCC2=NCCN2 62a_200010382935_100000737910 [0,0,0,0,0,0|1,1,0]=2 113 B17R2.5678 CC(C)c1cccnc1SCc2ncc[nH]2 62a_100016991755_200010382935 [0,0,0,0,0,0|1,1,2]=4 114 B17R2.5678 CC(C)c1cccnc1SCc2ncc[nH]2 62a_200010382935_100016991755 [0,0,0,0,0,0|1,1,2]=4 115 B17R2.5678 CC(C)c1cccnc1SCc2nnn[nH]2 62a_100000765167_200010382935 [0,0,0,0,0,0|3,1,0]=4 116 B17R2.5678 CC(C)c1cccnc1SCc2nnn[nH]2 62a_200010382935_100000765167 [0,0,0,0,0,0|3,1,0]=4 117 B17R2.5678 CC(C)c1ncccc1OCC2=NCCN2 34a_100012183336_100000737910 [0,0,0,0,0,0|1,0,0]=1 118 B17R2.5678 CC(C)c1ncccc1OCC2=NCCN2 7a_100012183336_100000737910 [0,0,0,0,0,0|1,0,0]=1 119 B17R2.5678 CC(C)c1ncccc1OCC2CCCC2 34a_100012183336_100000740388 [0,0,0,0,0,0|3,0,1]=4 120 B17R2.5678 CC(C)c1ncccc1OCC2CCCC2 7a_100012183336_100000740388 [0,0,0,0,0,0|3,0,1]=4 121 B17R2.5678 CC(C)c1ncccc1OCC2CCCO2 7a_100012183336_100000203698 [0,0,0,0,0,0|3,0,1]=4 122 B17R2.5678 CC(C)c1ncccc1OCC2OCCO2 34a_100012183336_100000755774 [0,0,0,0,0,0|3,0,1]=4 123 B17R2.5678 CC(C)c1ncccc1OCC2OCCO2 7a_100012183336_100000755774 [0,0,0,0,0,0|3,0,1]=4 124 B17R2.5678 CC(C)c1ncccc1OCc2c[nH]cn2 34a_100012183336_100000707719 [0,0,0,0,0,0|3,0,1]=4 125 B17R2.5678 CC(C)c1ncccc1OCc2ccn[nH]2 34a_100012183336_100000728653 [0,0,0,0,0,0|3,0,1]=4 126 B17R2.5678 CC(C)c1ncccc1OCc2ccn[nH]2 7a_100012183336_100000728653 [0,0,0,0,0,0|3,0,1]=4 127 B17R2.5678 CC(C)c1ncccc1OCc2ccon2 34a_100012183336_100000234950 [0,0,0,0,0,0|3,0,1]=4 128 B17R2.5678 CC(C)c1ncccc1OCc2ccon2 7a_100012183336_100000234950 [0,0,0,0,0,0|3,0,1]=4 129 B17R2.5678 CC(C)c1ncccc1OCc2cscn2 34a_100012183336_100000205941 [0,0,0,0,0,0|3,0,1]=4 130 B17R2.5678 CC(C)c1ncccc1OCc2cscn2 7a_100012183336_100000205941 [0,0,0,0,0,0|3,0,1]=4 131 B17R2.5678 CC(C)c1ncccc1OCc2ncc[nH]2 34a_100012183336_100016991755 [0,0,0,0,0,0|1,0,2]=3 132 B17R2.5678 CC(C)c1ncccc1OCc2ncc[nH]2 7a_100012183336_100000753453 [0,0,0,0,0,0|1,0,2]=3 133 B17R2.5678 CC(C)c1ncccc1OCc2ncco2 34a_100012183336_103436540062 [0,0,0,0,0,0|2,0,2]=4 134 B17R2.5678 CC(C)c1ncccc1OCc2ncco2 7a_100012183336_103436540062 [0,0,0,0,0,0|2,0,2]=4 135 B17R2.5678 CC(C)c1ncccc1OCc2nccs2 34a_100012183336_100015184050 [0,0,0,0,0,0|2,0,2]=4 136 B17R2.5678 CC(C)c1ncccc1OCc2nccs2 7a_100012183336_100015184050 [0,0,0,0,0,0|2,0,2]=4 137 B17R2.5678 CC(C)c1ncccc1OCc2ncon2 34a_100012183336_100000233494 [0,0,0,0,0,0|2,0,2]=4 138 B17R2.5678 CC(C)c1ncccc1OCc2nnn[nH]2 34a_100012183336_100000765167 [0,0,0,0,0,0|3,0,0]=3 139 B17R2.5678 CC(C)c1ncccc1OCc2nnn[nH]2 7a_100012183336_100000765167 [0,0,0,0,0,0|3,0,0]=3 140 B17R2.5678 CC(C)c1ncncc1SCC2=NCCN2 62a_100000737910_100009816988 [0,0,0,0,0,0|2,1,0]=3 141 B17R2.5678 CC(C)c1ncncc1SCC2=NCCN2 62a_100009816988_100000737910 [0,0,0,0,0,0|2,1,0]=3 142 B17R2.5678 CC(N)c1ccccc1SCC2=NCCN2 62a_100000181357_100000737910 [0,0,0,0,0,0|1,1,0]=2 143 B17R2.5678 CC(N)c1ccccc1SCC2=NCCN2 62a_100000737910_100000181357 [0,0,0,0,0,0|1,1,0]=2 144 B17R2.5678 CC(N)c1ccccc1SCc2ncc[nH]2 62a_100000181357_100016991755 [0,0,0,0,0,0|1,1,2]=4 145 B17R2.5678 CC(N)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100000181357 [0,0,0,0,0,0|1,1,2]=4 146 B17R2.5678 CC(N)c1ccccc1SCc2nnn[nH]2 62a_100000181357_100000765167 [0,0,0,0,0,0|3,1,0]=4 147 B17R2.5678 CC(N)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100000181357 [0,0,0,0,0,0|3,1,0]=4 148 B17R2.5678 CC(N)c1ncccc1SCC2=NCCN2 62a_100000737910_100159271932 [0,0,0,0,0,0|2,1,0]=3 149 B17R2.5678 CC(N)c1ncccc1SCC2=NCCN2 62a_100159271932_100000737910 [0,0,0,0,0,0|2,1,0]=3 150 B17R2.5678 CC(O)c1ccccc1NCc2ncc[nH]2 207a_100011405641_100000743867 [0,0,0,0,0,0|2,0,2]=4 151 B17R2.5678 CC(O)c1ccccc1NCc2ncc[nH]2 2230a_100011405641_100016991755 [0,0,0,0,0,0|2,0,2]=4 152 B17R2.5678 CC(O)c1ccccc1OCC2=NCCN2 34a_200011232679_100000737910 [0,0,0,0,0,0|1,0,0]=1 153 B17R2.5678 CC(O)c1ccccc1OCC2=NCCN2 7a_200011232679_100000737910 [0,0,0,0,0,0|1,0,0]=1 154 B17R2.5678 CC(O)c1ccccc1OCC2CCCC2 34a_200011232679_100000740388 [0,0,0,0,0,0|3,0,1]=4 155 B17R2.5678 CC(O)c1ccccc1OCC2CCCC2 7a_200011232679_100000740388 [0,0,0,0,0,0|3,0,1]=4 156 B17R2.5678 CC(O)c1ccccc1OCC2CCCO2 7a_200011232679_100000203698 [0,0,0,0,0,0|3,0,1]=4 157 B17R2.5678 CC(O)c1ccccc1OCC2OCCO2 34a_200011232679_100000755774 [0,0,0,0,0,0|3,0,1]=4 158 B17R2.5678 CC(O)c1ccccc1OCC2OCCO2 7a_200011232679_100000755774 [0,0,0,0,0,0|3,0,1]=4 159 B17R2.5678 CC(O)c1ccccc1OCc2c[nH]cn2 34a_200011232679_100000707719 [0,0,0,0,0,0|3,0,1]=4 160 B17R2.5678 CC(O)c1ccccc1OCc2ccn[nH]2 34a_200011232679_100000728653 [0,0,0,0,0,0|3,0,1]=4 161 B17R2.5678 CC(O)c1ccccc1OCc2ccn[nH]2 7a_200011232679_100000728653 [0,0,0,0,0,0|3,0,1]=4 162 B17R2.5678 CC(O)c1ccccc1OCc2ccon2 34a_200011232679_100000234950 [0,0,0,0,0,0|3,0,1]=4 163 B17R2.5678 CC(O)c1ccccc1OCc2ccon2 7a_200011232679_100000234950 [0,0,0,0,0,0|3,0,1]=4 164 B17R2.5678 CC(O)c1ccccc1OCc2cscn2 34a_200011232679_100000205941 [0,0,0,0,0,0|3,0,1]=4 165 B17R2.5678 CC(O)c1ccccc1OCc2cscn2 7a_200011232679_100000205941 [0,0,0,0,0,0|3,0,1]=4 166 B17R2.5678 CC(O)c1ccccc1OCc2ncc[nH]2 34a_200011232679_100016991755 [0,0,0,0,0,0|1,0,2]=3 167 B17R2.5678 CC(O)c1ccccc1OCc2ncc[nH]2 7a_200011232679_100000753453 [0,0,0,0,0,0|1,0,2]=3 168 B17R2.5678 CC(O)c1ccccc1OCc2ncco2 34a_200011232679_103436540062 [0,0,0,0,0,0|2,0,2]=4 169 B17R2.5678 CC(O)c1ccccc1OCc2ncco2 7a_200011232679_103436540062 [0,0,0,0,0,0|2,0,2]=4 170 B17R2.5678 CC(O)c1ccccc1OCc2nccs2 34a_200011232679_100015184050 [0,0,0,0,0,0|2,0,2]=4 171 B17R2.5678 CC(O)c1ccccc1OCc2nccs2 7a_200011232679_100015184050 [0,0,0,0,0,0|2,0,2]=4 172 B17R2.5678 CC(O)c1ccccc1OCc2ncon2 34a_200011232679_100000233494 [0,0,0,0,0,0|2,0,2]=4 173 B17R2.5678 CC(O)c1ccccc1OCc2nnn[nH]2 34a_200011232679_100000765167 [0,0,0,0,0,0|3,0,0]=3 174 B17R2.5678 CC(O)c1ccccc1OCc2nnn[nH]2 7a_200011232679_100000765167 [0,0,0,0,0,0|3,0,0]=3 175 B17R2.5678 CC(O)c1ccccc1SCC2=NCCN2 62a_100000702211_100000737910 [0,0,0,0,0,0|1,1,0]=2 176 B17R2.5678 CC(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000702211 [0,0,0,0,0,0|1,1,0]=2 177 B17R2.5678 CC(O)c1ccccc1SCc2ncc[nH]2 62a_100000702211_100016991755 [0,0,0,0,0,0|1,1,2]=4 178 B17R2.5678 CC(O)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100000702211 [0,0,0,0,0,0|1,1,2]=4 179 B17R2.5678 CC(O)c1ccccc1SCc2nnn[nH]2 62a_100000702211_100000765167 [0,0,0,0,0,0|3,1,0]=4 180 B17R2.5678 CC(O)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100000702211 [0,0,0,0,0,0|3,1,0]=4 181 B17R2.5678 CC(O)c1cccnc1SCC2=NCCN2 62a_100000737910_100009865335 [0,0,0,0,0,0|2,1,0]=3 182 B17R2.5678 CC(O)c1cccnc1SCC2=NCCN2 62a_100009865335_100000737910 [0,0,0,0,0,0|2,1,0]=3 183 B17R2.5678 CN(C)c1ccccc1NCc2ncc[nH]2 207a_100000737595_100000743867 [0,0,0,0,0,0|2,0,2]=4 184 B17R2.5678 CN(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100011290883 [0,0,0,0,0,0|1,1,0]=2 185 B17R2.5678 CN(C)c1ccccc1SCC2=NCCN2 62a_100011290883_100000737910 [0,0,0,0,0,0|1,1,0]=2 186 B17R2.5678 CN(C)c1ccccc1SCc2ncc[nH]2 62a_100011290883_100016991755 [0,0,0,0,0,0|1,1,2]=4 187 B17R2.5678 CN(C)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100011290883 [0,0,0,0,0,0|1,1,2]=4 188 B17R2.5678 CN(C)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100011290883 [0,0,0,0,0,0|3,1,0]=4 189 B17R2.5678 CN(C)c1ccccc1SCc2nnn[nH]2 62a_100011290883_100000765167 [0,0,0,0,0,0|3,1,0]=4 190 B17R2.5678 CN(C)c1ccncc1SCC2=NCCN2 62a_100000737910_100012355995 [0,0,0,0,0,0|2,1,0]=3 191 B17R2.5678 CN(C)c1ccncc1SCC2=NCCN2 62a_100012355995_100000737910 [0,0,0,0,0,0|2,1,0]=3 192 B17R2.5678 CN(C)c1ncccc1SCC2=NCCN2 62a_100000737910_100011465059 [0,0,0,0,0,0|2,1,0]=3 193 B17R2.5678 CN(C)c1ncccc1SCC2=NCCN2 62a_100011465059_100000737910 [0,0,0,0,0,0|2,1,0]=3 194 B17R2.5678 CN(C)c1nccnc1SCC2=NCCN2 62a_100000737910_100000703087 [0,0,0,0,0,0|3,1,0]=4 195 B17R2.5678 CS(=O)c1ccccc1SCC2=NCCN2 62a_100000734199_100000737910 [0,0,0,0,0,0|2,1,0]=3 196 B17R2.5678 C[C@@H](N)c1ccccc1OCC2=NCCN2 34a_100025703389_100000737910 [0,0,0,0,0,0|1,0,0]=1 197 B17R2.5678 C[C@@H](N)c1ccccc1OCC2CCCC2 34a_100025703389_100000740388 [0,0,0,0,0,0|3,0,1]=4 198 B17R2.5678 C[C@@H](N)c1ccccc1OCC2OCCO2 34a_100025703389_100000755774 [0,0,0,0,0,0|3,0,1]=4 199 B17R2.5678 C[C@@H](N)c1ccccc1OCc2c[nH]cn2 34a_100025703389_100000707719 [0,0,0,0,0,0|3,0,1]=4 200 B17R2.5678 C[C@@H](N)c1ccccc1OCc2ccn[nH]2 34a_100025703389_100000728653 [0,0,0,0,0,0|3,0,1]=4 201 B17R2.5678 C[C@@H](N)c1ccccc1OCc2ccon2 34a_100025703389_100000234950 [0,0,0,0,0,0|3,0,1]=4 202 B17R2.5678 C[C@@H](N)c1ccccc1OCc2cscn2 34a_100025703389_100000205941 [0,0,0,0,0,0|3,0,1]=4 203 B17R2.5678 C[C@@H](N)c1ccccc1OCc2ncc[nH]2 34a_100025703389_100016991755 [0,0,0,0,0,0|1,0,2]=3 204 B17R2.5678 C[C@@H](N)c1ccccc1OCc2ncco2 34a_100025703389_103436540062 [0,0,0,0,0,0|2,0,2]=4 205 B17R2.5678 C[C@@H](N)c1ccccc1OCc2nccs2 34a_100025703389_100015184050 [0,0,0,0,0,0|2,0,2]=4 206 B17R2.5678 C[C@@H](N)c1ccccc1OCc2ncon2 34a_100025703389_100000233494 [0,0,0,0,0,0|2,0,2]=4 207 B17R2.5678 C[C@@H](N)c1ccccc1OCc2nnn[nH]2 34a_100025703389_100000765167 [0,0,0,0,0,0|3,0,0]=3 208 B17R2.5678 C[C@H](O)c1ncccc1SCC2=NCCN2 62a_100000737910_100013325542 [0,0,0,0,0,0|2,1,0]=3 209 B17R2.5678 C[C@H](O)c1ncccc1SCC2=NCCN2 62a_100013325542_100000737910 [0,0,0,0,0,0|2,1,0]=3 210 B17R2.5678 FC(F)c1ccccc1NCC2=NCCN2 34a_100000734540_100000737910 [0,0,0,0,0,0|3,0,0]=3 211 B17R2.5678 FC(F)c1ccccc1NCC2=NCCN2 7a_100000734540_100000737910 [0,0,0,0,0,0|3,0,0]=3 212 B17R2.5678 FC(F)c1ccccc1SCC2=NCCN2 62a_100000737910_100010169824 [0,0,0,0,0,0|2,1,0]=3 213 B17R2.5678 FC(F)c1ccccc1SCC2=NCCN2 62a_100010169824_100000737910 [0,0,0,0,0,0|2,1,0]=3 214 B17R2.5678 FC(F)c1cccnc1SCC2=NCCN2 62a_100000737910_100010136063 [0,0,0,0,0,0|3,1,0]=4 215 B17R2.5678 FC(F)c1cccnc1SCC2=NCCN2 62a_100010136063_100000737910 [0,0,0,0,0,0|3,1,0]=4 216 B17R2.5678 FC(F)c1ccncc1OCC2=NCCN2 34a_100010834524_100000737910 [0,0,0,0,0,0|3,0,0]=3 217 B17R2.5678 FC(F)c1ccncc1OCC2=NCCN2 7a_100010834524_100000737910 [0,0,0,0,0,0|3,0,0]=3 218 B17R2.5678 FC(F)c1ncccc1SCC2=NCCN2 62a_100000737910_100010079810 [0,0,0,0,0,0|3,1,0]=4 219 B17R2.5678 FC(F)c1ncccc1SCC2=NCCN2 62a_100010079810_100000737910 [0,0,0,0,0,0|3,1,0]=4 220 B17R2.5678 NC(=O)c1ccccc1NCC2=NCCN2 34a_100000185089_100000737910 [0,0,0,0,0,0|3,0,1]=4 221 B17R2.5678 NC(=O)c1ccccc1OCC2=NCCN2 34a_100000192804_100000737910 [0,0,0,0,0,0|2,0,1]=3 222 B17R2.5678 NC(=O)c1ccccc1OCC2=NCCN2 7a_100000192804_100000737910 [0,0,0,0,0,0|2,0,1]=3 223 B17R2.5678 NC(=O)c1ccccc1SCC2=NCCN2 62a_100000162227_100000737910 [0,0,0,0,0,0|2,1,1]=4 224 B17R2.5678 NC(=O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000162227 [0,0,0,0,0,0|2,1,1]=4 225 B17R2.5678 NC(=O)c1ccncc1OCC2=NCCN2 7a_100012022987_100000737910 [0,0,0,0,0,0|3,0,1]=4 226 B17R2.5678 NC(=O)c1cnccc1OCC2=NCCN2 34a_200011998761_100000737910 [0,0,0,0,0,0|3,0,1]=4 227 B17R2.5678 NC(=O)c1ncccc1OCC2=NCCN2 34a_200011215183_100000737910 [0,0,0,0,0,0|3,0,1]=4 228 B17R2.5678 NC(=O)c1ncccc1OCC2=NCCN2 7a_200011215183_100000737910 [0,0,0,0,0,0|3,0,1]=4 229 B17R2.5678 NC(=S)c1ccccc1OCC2=NCCN2 7a_100000745089_100000737910 [0,0,0,0,0,0|2,0,1]=3 230 B17R2.5678 O=C(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000734275 [0,0,0,0,0,0|2,1,1]=4 231 B17R2.5678 O=C(O)c1ccccc1SCC2=NCCN2 62a_202125556159_100000737910 [0,0,0,0,0,0|2,1,1]=4 232 B17R2.5678 O=C([O-])c1ccccc1OCC2=NCCN2 7a_100015234032_100000737910 [0,0,0,0,0,0|2,0,1]=3 233 B17R2.5678 O=[N+]([O-])c1ccccc1OCC2=NCCN2 34a_100000186319_100000737910 [0,0,0,0,0,0|3,0,0]=3 234 B17R2.5678 O=[N+]([O-])c1ccccc1OCC2=NCCN2 7a_100000186319_100000737910 [0,0,0,0,0,0|3,0,0]=3 235 B17R2.5678 O=[N+]([O-])c1ncccc1OCC2=NCCN2 7a_100000183951_100000737910 [0,0,0,0,0,0|4,0,0]=4 236 B17R2.5678 OB(O)c1ccccc1SCC2=NCCN2 62a_100000693059_100000737910 [0,0,0,0,0,0|3,1,0]=4 237 B17R2.5678 OB(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000693059 [0,0,0,0,0,0|3,1,0]=4 238 B16R2.1480 BrCc1ncccc1OCC2=NCCN2 34a_200020655725_100000737910 [1,0,0,0,0,0|2,0,0]=3 239 B16R2.1480 BrCc1ncccc1OCC2=NCCN2 7a_200020655725_100000737910 [1,0,0,0,0,0|2,0,0]=3 240 B16R2.1480 C#Cc1ccccc1NCC2=NCCN2 34a_100011470550_100000737910 [1,0,0,0,0,0|1,0,2]=4 241 B16R2.1480 C#Cc1ccccc1OCC2=NCCN2 34a_200011470546_100000737910 [1,0,0,0,0,0|0,0,2]=3 242 B16R2.1480 C#Cc1ccccc1OCC2=NCCN2 7a_200011470546_100000737910 [1,0,0,0,0,0|0,0,2]=3 243 B16R2.1480 C=Cc1ccccc1NCC2=NCCN2 34a_100012022501_100000737910 [1,0,0,0,0,0|1,0,2]=4 244 B16R2.1480 C=Cc1ccccc1SCC2=NCCN2 62a_100000737910_100011218376 [1,0,0,0,0,0|0,1,2]=4 245 B16R2.1480 C=Cc1ccccc1SCC2=NCCN2 62a_100011218376_100000737910 [1,0,0,0,0,0|0,1,2]=4 246 B16R2.1480 CCc1ccccc1NCC2=NCCN2 34a_100000212081_100000737910 [1,0,0,0,0,0|1,0,0]=2 247 B16R2.1480 CCc1ccccc1NCC2=NCCN2 7a_100000212081_100000737910 [1,0,0,0,0,0|1,0,0]=2 248 B16R2.1480 CCc1ccccc1NCc2ncc[nH]2 207a_100000212081_100000743867 [1,0,0,0,0,0|1,0,2]=4 249 B16R2.1480 CCc1ccccc1NCc2ncc[nH]2 2230a_100000212081_100016991755 [1,0,0,0,0,0|1,0,2]=4 250 B16R2.1480 CCc1ccccc1NCc2ncc[nH]2 34a_100000212081_100016991755 [1,0,0,0,0,0|1,0,2]=4 251 B16R2.1480 CCc1ccccc1NCc2ncc[nH]2 7a_100000212081_100000753453 [1,0,0,0,0,0|1,0,2]=4 252 B16R2.1480 CCc1ccccc1NCc2nnn[nH]2 34a_100000212081_100000765167 [1,0,0,0,0,0|3,0,0]=4 253 B16R2.1480 CCc1ccccc1NCc2nnn[nH]2 7a_100000212081_100000765167 [1,0,0,0,0,0|3,0,0]=4 254 B16R2.1480 CCc1ccccc1OCC2=NCCN2 34a_100000210936_100000737910 [1,0,0,0,0,0|0,0,0]=1 255 B16R2.1480 CCc1ccccc1OCC2=NCCN2 7a_100000210936_100000737910 [1,0,0,0,0,0|0,0,0]=1 256 B16R2.1480 CCc1ccccc1OCC2CCCC2 34a_100000210936_100000740388 [1,0,0,0,0,0|2,0,1]=4 257 B16R2.1480 CCc1ccccc1OCC2CCCC2 7a_100000210936_100000740388 [1,0,0,0,0,0|2,0,1]=4 258 B16R2.1480 CCc1ccccc1OCC2CCCO2 7a_100000210936_100000203698 [1,0,0,0,0,0|2,0,1]=4 259 B16R2.1480 CCc1ccccc1OCC2OCCO2 34a_100000210936_100000755774 [1,0,0,0,0,0|2,0,1]=4 260 B16R2.1480 CCc1ccccc1OCC2OCCO2 7a_100000210936_100000755774 [1,0,0,0,0,0|2,0,1]=4 261 B16R2.1480 CCc1ccccc1OCc2c[nH]cn2 34a_100000210936_100000707719 [1,0,0,0,0,0|2,0,1]=4 262 B16R2.1480 CCc1ccccc1OCc2ccn[nH]2 34a_100000210936_100000728653 [1,0,0,0,0,0|2,0,1]=4 263 B16R2.1480 CCc1ccccc1OCc2ccn[nH]2 7a_100000210936_100000728653 [1,0,0,0,0,0|2,0,1]=4 264 B16R2.1480 CCc1ccccc1OCc2ccon2 34a_100000210936_100000234950 [1,0,0,0,0,0|2,0,1]=4 265 B16R2.1480 CCc1ccccc1OCc2ccon2 7a_100000210936_100000234950 [1,0,0,0,0,0|2,0,1]=4 266 B16R2.1480 CCc1ccccc1OCc2cscn2 34a_100000210936_100000205941 [1,0,0,0,0,0|2,0,1]=4 267 B16R2.1480 CCc1ccccc1OCc2cscn2 7a_100000210936_100000205941 [1,0,0,0,0,0|2,0,1]=4 268 B16R2.1480 CCc1ccccc1OCc2ncc[nH]2 34a_100000210936_100016991755 [1,0,0,0,0,0|0,0,2]=3 269 B16R2.1480 CCc1ccccc1OCc2ncc[nH]2 7a_100000210936_100000753453 [1,0,0,0,0,0|0,0,2]=3 270 B16R2.1480 CCc1ccccc1OCc2ncco2 34a_100000210936_103436540062 [1,0,0,0,0,0|1,0,2]=4 271 B16R2.1480 CCc1ccccc1OCc2ncco2 7a_100000210936_103436540062 [1,0,0,0,0,0|1,0,2]=4 272 B16R2.1480 CCc1ccccc1OCc2nccs2 34a_100000210936_100015184050 [1,0,0,0,0,0|1,0,2]=4 273 B16R2.1480 CCc1ccccc1OCc2nccs2 7a_100000210936_100015184050 [1,0,0,0,0,0|1,0,2]=4 274 B16R2.1480 CCc1ccccc1OCc2ncon2 34a_100000210936_100000233494 [1,0,0,0,0,0|1,0,2]=4 275 B16R2.1480 CCc1ccccc1OCc2nnn[nH]2 34a_100000210936_100000765167 [1,0,0,0,0,0|2,0,0]=3 276 B16R2.1480 CCc1ccccc1OCc2nnn[nH]2 7a_100000210936_100000765167 [1,0,0,0,0,0|2,0,0]=3 277 B16R2.1480 CCc1ccccc1SCC2=NCCN2 62a_100000737910_100011215823 [1,0,0,0,0,0|0,1,0]=2 278 B16R2.1480 CCc1ccccc1SCC2=NCCN2 62a_100011215823_100000737910 [1,0,0,0,0,0|0,1,0]=2 279 B16R2.1480 CCc1ccccc1SCc2ncc[nH]2 62a_100011215823_100016991755 [1,0,0,0,0,0|0,1,2]=4 280 B16R2.1480 CCc1ccccc1SCc2ncc[nH]2 62a_100016991755_100011215823 [1,0,0,0,0,0|0,1,2]=4 281 B16R2.1480 CCc1ccccc1SCc2nnn[nH]2 62a_100000765167_100011215823 [1,0,0,0,0,0|2,1,0]=4 282 B16R2.1480 CCc1ccccc1SCc2nnn[nH]2 62a_100011215823_100000765167 [1,0,0,0,0,0|2,1,0]=4 283 B16R2.1480 CCc1ccncc1SCC2=NCCN2 62a_100000737910_100009819861 [1,0,0,0,0,0|1,1,0]=3 284 B16R2.1480 CCc1ccncc1SCC2=NCCN2 62a_100009819861_100000737910 [1,0,0,0,0,0|1,1,0]=3 285 B16R2.1480 CCc1cnccc1SCC2=NCCN2 62a_100000737910_100025704421 [1,0,0,0,0,0|1,1,0]=3 286 B16R2.1480 CCc1cnccc1SCC2=NCCN2 62a_100025704421_100000737910 [1,0,0,0,0,0|1,1,0]=3 287 B16R2.1480 CCc1cncnc1SCC2=NCCN2 62a_100000737910_200000100055 [1,0,0,0,0,0|2,1,0]=4 288 B16R2.1480 CCc1cncnc1SCC2=NCCN2 62a_200000100055_100000737910 [1,0,0,0,0,0|2,1,0]=4 289 B16R2.1480 CCc1ncccc1SCC2=NCCN2 62a_100000737910_100009877225 [1,0,0,0,0,0|1,1,0]=3 290 B16R2.1480 CCc1ncccc1SCC2=NCCN2 62a_100009877225_100000737910 [1,0,0,0,0,0|1,1,0]=3 291 B16R2.1480 CCc1nccnc1SCC2=NCCN2 62a_100000737910_100011995844 [1,0,0,0,0,0|2,1,0]=4 292 B16R2.1480 CCc1nccnc1SCC2=NCCN2 62a_100011995844_100000737910 [1,0,0,0,0,0|2,1,0]=4 293 B16R2.1480 CCc1ncncc1SCC2=NCCN2 62a_100000737910_100009816992 [1,0,0,0,0,0|2,1,0]=4 294 B16R2.1480 CCc1ncncc1SCC2=NCCN2 62a_100009816992_100000737910 [1,0,0,0,0,0|2,1,0]=4 295 B16R2.1480 CNc1ccccc1OCC2=NCCN2 34a_100000033821_100000737910 [1,0,0,0,0,0|1,0,0]=2 296 B16R2.1480 CNc1ccccc1OCc2ncc[nH]2 34a_100000033821_100016991755 [1,0,0,0,0,0|1,0,2]=4 297 B16R2.1480 CNc1ccccc1OCc2nnn[nH]2 34a_100000033821_100000765167 [1,0,0,0,0,0|3,0,0]=4 298 B16R2.1480 CNc1ccccc1SCC2=NCCN2 62a_100000737910_100020606079 [1,0,0,0,0,0|1,1,0]=3 299 B16R2.1480 CNc1ccccc1SCC2=NCCN2 62a_100020606079_100000737910 [1,0,0,0,0,0|1,1,0]=3 300 B16R2.1480 CNc1cccnc1SCC2=NCCN2 62a_100000737910_200011806188 [1,0,0,0,0,0|2,1,0]=4 301 B16R2.1480 CNc1ccncc1SCC2=NCCN2 62a_100000737910_100010069531 [1,0,0,0,0,0|2,1,0]=4 302 B16R2.1480 CNc1ccncc1SCC2=NCCN2 62a_100010069531_100000737910 [1,0,0,0,0,0|2,1,0]=4 303 B16R2.1480 CNc1ncccc1SCC2=NCCN2 62a_100000700899_100000737910 [1,0,0,0,0,0|2,1,0]=4 304 B16R2.1480 CNc1ncccc1SCC2=NCCN2 62a_100000737910_100000700899 [1,0,0,0,0,0|2,1,0]=4 305 B16R2.1480 COc1ccccc1NCC2=NCCN2 34a_100000210025_100000737910 [1,0,0,0,0,0|2,0,0]=3 306 B16R2.1480 COc1ccccc1OCC2=NCCN2 34a_100000210385_100000737910 [1,0,0,0,0,0|1,0,0]=2 307 B16R2.1480 COc1ccccc1OCc2ncc[nH]2 34a_100000210385_100016991755 [1,0,0,0,0,0|1,0,2]=4 308 B16R2.1480 COc1ccccc1OCc2nnn[nH]2 34a_100000210385_100000765167 [1,0,0,0,0,0|3,0,0]=4 309 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000210334_100000737910 [1,0,0,0,0,0|1,1,0]=3 310 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000737910_100000210334 [1,0,0,0,0,0|1,1,0]=3 311 B16R2.1480 COc1cccnc1OCC2=NCCN2 34a_100025773188_100000737910 [1,0,0,0,0,0|2,0,0]=3 312 B16R2.1480 COc1cccnc1SCC2=NCCN2 62a_100000737910_100000690851 [1,0,0,0,0,0|2,1,0]=4 313 B16R2.1480 COc1cccnc1SCC2=NCCN2 62a_100000767102_100000737910 [1,0,0,0,0,0|2,1,0]=4 314 B16R2.1480 COc1ccncc1OCC2=NCCN2 34a_100000101186_100000737910 [1,0,0,0,0,0|2,0,0]=3 315 B16R2.1480 COc1ccncc1SCC2=NCCN2 62a_100000737910_100011997281 [1,0,0,0,0,0|2,1,0]=4 316 B16R2.1480 COc1ccncc1SCC2=NCCN2 62a_100011997281_100000737910 [1,0,0,0,0,0|2,1,0]=4 317 B16R2.1480 COc1cnccc1SCC2=NCCN2 62a_100000737910_100016988167 [1,0,0,0,0,0|2,1,0]=4 318 B16R2.1480 COc1cnccc1SCC2=NCCN2 62a_100016988167_100000737910 [1,0,0,0,0,0|2,1,0]=4 319 B16R2.1480 COc1ncccc1OCC2=NCCN2 34a_100000698397_100000737910 [1,0,0,0,0,0|2,0,0]=3 320 B16R2.1480 COc1ncccc1OCC2=NCCN2 7a_100000698397_100000737910 [1,0,0,0,0,0|2,0,0]=3 321 B16R2.1480 COc1ncccc1SCC2=NCCN2 62a_100000047025_100000737910 [1,0,0,0,0,0|2,1,0]=4 322 B16R2.1480 COc1ncccc1SCC2=NCCN2 62a_100000737910_100000047025 [1,0,0,0,0,0|2,1,0]=4 323 B16R2.1480 CSc1ccccc1NCC2=NCCN2 34a_100000211160_100000737910 [1,0,0,0,0,0|2,0,0]=3 324 B16R2.1480 CSc1ccccc1OCC2=NCCN2 34a_100011216402_100000737910 [1,0,0,0,0,0|1,0,0]=2 325 B16R2.1480 CSc1ccccc1OCc2ncc[nH]2 34a_100011216402_100016991755 [1,0,0,0,0,0|1,0,2]=4 326 B16R2.1480 CSc1ccccc1OCc2nnn[nH]2 34a_100011216402_100000765167 [1,0,0,0,0,0|3,0,0]=4 327 B16R2.1480 CSc1ccccc1SCC2=NCCN2 62a_100000737910_100011217816 [1,0,0,0,0,0|1,1,0]=3 328 B16R2.1480 CSc1ccccc1SCC2=NCCN2 62a_100011217816_100000737910 [1,0,0,0,0,0|1,1,0]=3 329 B16R2.1480 CSc1ncccc1SCC2=NCCN2 62a_100000737910_100011465278 [1,0,0,0,0,0|2,1,0]=4 330 B16R2.1480 CSc1ncccc1SCC2=NCCN2 62a_100011465278_100000737910 [1,0,0,0,0,0|2,1,0]=4 331 B16R2.1480 N#Cc1ccccc1NCC2=NCCN2 34a_100000211148_100000737910 [1,0,0,0,0,0|2,0,1]=4 332 B16R2.1480 N#Cc1ccccc1OCC2=NCCN2 34a_100000211048_100000737910 [1,0,0,0,0,0|1,0,1]=3 333 B16R2.1480 N#Cc1ccccc1OCC2=NCCN2 7a_100000211048_100000737910 [1,0,0,0,0,0|1,0,1]=3 334 B16R2.1480 N#Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000188569 [1,0,0,0,0,0|1,1,1]=4 335 B16R2.1480 N#Cc1ccncc1OCC2=NCCN2 7a_100012181322_100000737910 [1,0,0,0,0,0|2,0,1]=4 336 B16R2.1480 N#Cc1ncccc1OCC2=NCCN2 34a_100000722750_100000737910 [1,0,0,0,0,0|2,0,1]=4 337 B16R2.1480 N#Cc1ncccc1OCC2=NCCN2 7a_100000722750_100000737910 [1,0,0,0,0,0|2,0,1]=4 338 B16R2.1480 NCc1ccccc1OCC2=NCCN2 34a_100000185550_100000737910 [1,0,0,0,0,0|1,0,0]=2 339 B16R2.1480 NCc1ccccc1OCc2ncc[nH]2 34a_100000185550_100016991755 [1,0,0,0,0,0|1,0,2]=4 340 B16R2.1480 NCc1ccccc1OCc2nnn[nH]2 34a_100000185550_100000765167 [1,0,0,0,0,0|3,0,0]=4 341 B16R2.1480 NCc1ccccc1SCC2=NCCN2 62a_100000689332_100000737910 [1,0,0,0,0,0|1,1,0]=3 342 B16R2.1480 NCc1ccccc1SCC2=NCCN2 62a_100000737910_100000689332 [1,0,0,0,0,0|1,1,0]=3 343 B16R2.1480 NCc1cccnc1SCC2=NCCN2 62a_100000737910_100015189234 [1,0,0,0,0,0|2,1,0]=4 344 B16R2.1480 NCc1cccnc1SCC2=NCCN2 62a_100015189234_100000737910 [1,0,0,0,0,0|2,1,0]=4 345 B16R2.1480 NCc1ccncc1SCC2=NCCN2 62a_100000737910_100020640021 [1,0,0,0,0,0|2,1,0]=4 346 B16R2.1480 NCc1ccncc1SCC2=NCCN2 62a_100020640021_100000737910 [1,0,0,0,0,0|2,1,0]=4 347 B16R2.1480 NCc1ncccc1SCC2=NCCN2 62a_100000737910_100020591323 [1,0,0,0,0,0|2,1,0]=4 348 B16R2.1480 NCc1ncccc1SCC2=NCCN2 62a_100020591323_100000737910 [1,0,0,0,0,0|2,1,0]=4 349 B16R2.1480 NNc1ccccc1SCC2=NCCN2 62a_100000241748_100000737910 [1,0,0,0,0,0|2,1,0]=4 350 B16R2.1480 NNc1ccccc1SCC2=NCCN2 62a_100000737910_100000241748 [1,0,0,0,0,0|2,1,0]=4 351 B16R2.1480 O=Cc1ccccc1SCC2=NCCN2 62a_100000210073_100000737910 [1,0,0,0,0,0|1,1,1]=4 352 B16R2.1480 O=Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000210073 [1,0,0,0,0,0|1,1,1]=4 353 B16R2.1480 OCc1ccccc1NCC2=NCCN2 34a_100000212039_100000737910 [1,0,0,0,0,0|2,0,0]=3 354 B16R2.1480 OCc1ccccc1OCC2=NCCN2 34a_100011216872_100000737910 [1,0,0,0,0,0|1,0,0]=2 355 B16R2.1480 OCc1ccccc1OCc2ncc[nH]2 34a_100011216872_100016991755 [1,0,0,0,0,0|1,0,2]=4 356 B16R2.1480 OCc1ccccc1OCc2nnn[nH]2 34a_100011216872_100000765167 [1,0,0,0,0,0|3,0,0]=4 357 B16R2.1480 OCc1ccccc1SCC2=NCCN2 62a_100000187465_100000737910 [1,0,0,0,0,0|1,1,0]=3 358 B16R2.1480 OCc1ccccc1SCC2=NCCN2 62a_100000737910_100000187465 [1,0,0,0,0,0|1,1,0]=3 359 B16R2.1480 OCc1cccnc1SCC2=NCCN2 62a_100000737910_100000748726 [1,0,0,0,0,0|2,1,0]=4 360 B16R2.1480 OCc1cccnc1SCC2=NCCN2 62a_100000748726_100000737910 [1,0,0,0,0,0|2,1,0]=4 361 B16R2.1480 OCc1ccncc1OCC2=NCCN2 34a_100000078615_100000737910 [1,0,0,0,0,0|2,0,0]=3 362 B16R2.1480 OCc1ccncc1SCC2=NCCN2 62a_100000737910_100009873359 [1,0,0,0,0,0|2,1,0]=4 363 B16R2.1480 OCc1ccncc1SCC2=NCCN2 62a_100009873359_100000737910 [1,0,0,0,0,0|2,1,0]=4 364 B16R2.1480 OCc1cnccc1SCC2=NCCN2 62a_100000117392_100000737910 [1,0,0,0,0,0|2,1,0]=4 365 B16R2.1480 OCc1cnccc1SCC2=NCCN2 62a_100000737910_100000117392 [1,0,0,0,0,0|2,1,0]=4 366 B16R2.1480 OCc1ncccc1OCC2=NCCN2 34a_100000731849_100000737910 [1,0,0,0,0,0|2,0,0]=3 367 B16R2.1480 OCc1ncccc1SCC2=NCCN2 62a_100000737910_100011996772 [1,0,0,0,0,0|2,1,0]=4 368 B16R2.1480 OCc1ncccc1SCC2=NCCN2 62a_100011996772_100000737910 [1,0,0,0,0,0|2,1,0]=4 369 B18R2.6202 CC(C)c1ccccc1NCc2nccn2C 207a_100000210643_100000748660 [0,1,0,0,0,0|1,0,2]=4 370 B18R2.6202 CC(C)c1ccccc1NCc2nccn2C 2230a_100000210643_100000700302 [0,1,0,0,0,0|1,0,2]=4 371 B18R2.6202 CC(C)c1ccccc1NCc2nccn2C 34a_100000210643_100000700302 [0,1,0,0,0,0|1,0,2]=4 372 B18R2.6202 CC(C)c1ccccc1NCc2nccn2C 7a_100000210643_100000700302 [0,1,0,0,0,0|1,0,2]=4 373 B18R2.6202 CC(C)c1ccccc1OCc2ccnn2C 34a_100000211617_100000691648 [0,1,0,0,0,0|2,0,1]=4 374 B18R2.6202 CC(C)c1ccccc1OCc2ccnn2C 7a_100000211617_100000691648 [0,1,0,0,0,0|2,0,1]=4 375 B18R2.6202 CC(C)c1ccccc1OCc2nccn2C 34a_100000211617_100000700302 [0,1,0,0,0,0|0,0,2]=3 376 B18R2.6202 CC(C)c1ccccc1OCc2nccn2C 7a_100000211617_100000700302 [0,1,0,0,0,0|0,0,2]=3 377 B18R2.6202 CC(C)c1ccccc1OCc2nnsc2Cl 7a_100000211617_100000018852 [0,1,0,0,0,0|3,0,0]=4 378 B18R2.6202 CC(C)c1ccccc1SCc2nccn2C 62a_100000700302_100000708600 [0,1,0,0,0,0|0,1,2]=4 379 B18R2.6202 CC(C)c1ccccc1SCc2nccn2C 62a_100000708600_100000700302 [0,1,0,0,0,0|0,1,2]=4 380 B18R2.6202 CC(C)c1ncccc1OCc2nccn2C 34a_100012183336_100000700302 [0,1,0,0,0,0|1,0,2]=4 381 B18R2.6202 CC(C)c1ncccc1OCc2nccn2C 7a_100012183336_100000700302 [0,1,0,0,0,0|1,0,2]=4 382 B18R2.6202 CC(O)c1ccccc1OCc2nccn2C 34a_200011232679_100000700302 [0,1,0,0,0,0|1,0,2]=4 383 B18R2.6202 CC(O)c1ccccc1OCc2nccn2C 7a_200011232679_100000700302 [0,1,0,0,0,0|1,0,2]=4 384 B18R2.6202 C[C@@H](N)c1ccccc1OCc2nccn2C 34a_100025703389_100000700302 [0,1,0,0,0,0|1,0,2]=4 385 B18R2.6202 Cc1nonc1COc2ccccc2C(C)C 34a_100000211617_200000044682 [0,1,0,0,0,0|3,0,0]=4 386 B18R2.6202 Cc1nonc1COc2ccccc2C(C)C 7a_100000211617_200000044682 [0,1,0,0,0,0|3,0,0]=4 387 B18R2.6202 Cc1ocnc1COc2ccccc2C(C)C 34a_100000211617_200000693990 [0,1,0,0,0,0|2,0,1]=4 388 B18R2.6202 Cc1ocnc1COc2ccccc2C(C)C 7a_100000211617_200000693990 [0,1,0,0,0,0|2,0,1]=4 389 B18R2.7149 CC(C)c1ccccc1C(=O)Cc2nnn[nH]2 1458a_100011941426_100000765167 [0,1,0,0,0,0|3,0,0]=4 390 B18R2.7149 CC(C)c1ccccc1N(C)CC2=NCCN2 269982a_106256037369_100000737910 [0,1,0,0,0,0|1,0,0]=2 391 B18R2.7149 CC(C)c1ccccc1N(C)CC2=NCCN2 34a_106256037369_100000737910 [0,1,0,0,0,0|1,0,0]=2 392 B18R2.7149 CC(C)c1ccccc1N(C)CC2=NCCN2 38a_106256037369_100000737910 [0,1,0,0,0,0|1,0,0]=2 393 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncc[nH]2 2230a_106256037369_100016991755 [0,1,0,0,0,0|1,0,2]=4 394 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncc[nH]2 269982a_106256037369_100016991755 [0,1,0,0,0,0|1,0,2]=4 395 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncc[nH]2 34a_106256037369_100016991755 [0,1,0,0,0,0|1,0,2]=4 396 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncc[nH]2 38a_106256037369_100016991755 [0,1,0,0,0,0|1,0,2]=4 397 B18R2.7149 CC(C)c1ccccc1N(C)Cc2nnn[nH]2 269982a_106256037369_100000765167 [0,1,0,0,0,0|3,0,0]=4 398 B18R2.7149 CC(C)c1ccccc1N(C)Cc2nnn[nH]2 34a_106256037369_100000765167 [0,1,0,0,0,0|3,0,0]=4 399 B18R2.9495 CC(=NO)c1ccccc1OCC2=NCCN2 34a_100000164216_100000737910 [0,1,0,0,0,0|1,0,1]=3 400 B18R2.9495 CC(C#N)c1ccccc1SCC2=NCCN2 62a_100000737910_200010232107 [0,1,0,0,0,0|0,1,1]=3 401 B18R2.9495 CC(C#N)c1ccccc1SCC2=NCCN2 62a_200010232107_100000737910 [0,1,0,0,0,0|0,1,1]=3 402 B18R2.9495 CCC(=O)c1ccccc1OCC2=NCCN2 7a_100000184720_100000737910 [0,1,0,0,0,0|1,0,1]=3 403 B18R2.9495 CCC(C)c1ccccc1NCC2=NCCN2 7a_200000211393_100000737910 [0,1,0,0,0,0|1,0,0]=2 404 B18R2.9495 CCC(C)c1ccccc1NCc2ncc[nH]2 207a_200000211393_100000743867 [0,1,0,0,0,0|1,0,2]=4 405 B18R2.9495 CCC(C)c1ccccc1NCc2ncc[nH]2 2230a_200000211393_100016991755 [0,1,0,0,0,0|1,0,2]=4 406 B18R2.9495 CCC(C)c1ccccc1NCc2ncc[nH]2 7a_200000211393_100000753453 [0,1,0,0,0,0|1,0,2]=4 407 B18R2.9495 CCC(C)c1ccccc1NCc2nnn[nH]2 7a_200000211393_100000765167 [0,1,0,0,0,0|3,0,0]=4 408 B18R2.9495 CCC(C)c1ccccc1OCC2=NCCN2 7a_100000211618_100000737910 [0,1,0,0,0,0|0,0,0]=1 409 B18R2.9495 CCC(C)c1ccccc1OCC2CCCC2 7a_100000211618_100000740388 [0,1,0,0,0,0|2,0,1]=4 410 B18R2.9495 CCC(C)c1ccccc1OCC2CCCO2 7a_100000211618_100000203698 [0,1,0,0,0,0|2,0,1]=4 411 B18R2.9495 CCC(C)c1ccccc1OCC2OCCO2 7a_100000211618_100000755774 [0,1,0,0,0,0|2,0,1]=4 412 B18R2.9495 CCC(C)c1ccccc1OCc2ccn[nH]2 7a_100000211618_100000728653 [0,1,0,0,0,0|2,0,1]=4 413 B18R2.9495 CCC(C)c1ccccc1OCc2ccon2 7a_100000211618_100000234950 [0,1,0,0,0,0|2,0,1]=4 414 B18R2.9495 CCC(C)c1ccccc1OCc2cscn2 7a_100000211618_100000205941 [0,1,0,0,0,0|2,0,1]=4 415 B18R2.9495 CCC(C)c1ccccc1OCc2ncc[nH]2 7a_100000211618_100000753453 [0,1,0,0,0,0|0,0,2]=3 416 B18R2.9495 CCC(C)c1ccccc1OCc2ncco2 7a_100000211618_103436540062 [0,1,0,0,0,0|1,0,2]=4 417 B18R2.9495 CCC(C)c1ccccc1OCc2nccs2 7a_100000211618_100015184050 [0,1,0,0,0,0|1,0,2]=4 418 B18R2.9495 CCC(C)c1ccccc1OCc2nnn[nH]2 7a_100000211618_100000765167 [0,1,0,0,0,0|2,0,0]=3 419 B18R2.9495 CNC(=O)c1ccccc1NCC2=NCCN2 34a_100000185696_100000737910 [0,1,0,0,0,0|2,0,1]=4 420 B18R2.9495 CNC(=O)c1ccccc1OCC2=NCCN2 34a_100000185920_100000737910 [0,1,0,0,0,0|1,0,1]=3 421 B18R2.9495 CNC(=O)c1ccccc1OCC2=NCCN2 7a_100000185920_100000737910 [0,1,0,0,0,0|1,0,1]=3 422 B18R2.9495 CNC(=O)c1ccccc1SCC2=NCCN2 62a_100000155073_100000737910 [0,1,0,0,0,0|1,1,1]=4 423 B18R2.9495 CNC(=O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000155073 [0,1,0,0,0,0|1,1,1]=4 424 B18R2.9495 CNC(=O)c1ncccc1OCC2=NCCN2 34a_100011376092_100000737910 [0,1,0,0,0,0|2,0,1]=4 425 B18R2.9495 CNC(=O)c1ncccc1OCC2=NCCN2 7a_100011376092_100000737910 [0,1,0,0,0,0|2,0,1]=4 426 B18R2.9495 CNC(C)c1ccccc1SCC2=NCCN2 62a_100000692418_100000737910 [0,1,0,0,0,0|0,1,0]=2 427 B18R2.9495 CNC(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100000692418 [0,1,0,0,0,0|0,1,0]=2 428 B18R2.9495 CNC(C)c1ccccc1SCc2ncc[nH]2 62a_100000692418_100016991755 [0,1,0,0,0,0|0,1,2]=4 429 B18R2.9495 CNC(C)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100000692418 [0,1,0,0,0,0|0,1,2]=4 430 B18R2.9495 CNC(C)c1ccccc1SCc2nnn[nH]2 62a_100000692418_100000765167 [0,1,0,0,0,0|2,1,0]=4 431 B18R2.9495 CNC(C)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100000692418 [0,1,0,0,0,0|2,1,0]=4 432 B18R2.9495 COC(=O)c1ccccc1OCC2=NCCN2 7a_100000150335_100000737910 [0,1,0,0,0,0|1,0,1]=3 433 B18R2.9495 COC(=O)c1ccccc1SCC2=NCCN2 62a_100000148710_100000737910 [0,1,0,0,0,0|1,1,1]=4 434 B18R2.9495 COC(=O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000148710 [0,1,0,0,0,0|1,1,1]=4 435 B18R2.9495 COC(=O)c1ncccc1OCC2=NCCN2 34a_100000744052_100000737910 [0,1,0,0,0,0|2,0,1]=4 436 B18R2.9495 COC(=O)c1ncccc1OCC2=NCCN2 7a_100000744052_100000737910 [0,1,0,0,0,0|2,0,1]=4 437 B18R2.9495 CO[C@@H](C)c1ncccc1SCC2=NCCN2 62a_100000737910_106256553109 [0,1,0,0,0,0|1,1,0]=3 438 B18R2.9495 CO[C@@H](C)c1ncccc1SCC2=NCCN2 62a_106256553109_100000737910 [0,1,0,0,0,0|1,1,0]=3 439 B18R2.9495 NCC(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100011236429 [0,1,0,0,0,0|1,1,0]=3 440 B18R2.9495 NCC(O)c1ccccc1SCC2=NCCN2 62a_100011236429_100000737910 [0,1,0,0,0,0|1,1,0]=3 441 B18R2.9495 NNC(=O)c1ccccc1OCC2=NCCN2 34a_100000186518_100000737910 [0,1,0,0,0,0|2,0,1]=4 442 B18R2.9495 N[C@H](CO)c1ccccc1SCC2=NCCN2 62a_100000737910_100161155918 [0,1,0,0,0,0|1,1,0]=3 443 B18R2.9495 N[C@H](CO)c1ccccc1SCC2=NCCN2 62a_100161155918_100000737910 [0,1,0,0,0,0|1,1,0]=3 444 B18R2.9495 O=C(CBr)c1ccccc1OCC2=NCCN2 7a_100000188908_100000737910 [0,1,0,0,0,0|1,0,1]=3 445 B18R2.9495 O=C(NO)c1ccccc1OCC2=NCCN2 34a_100000188472_100000737910 [0,1,0,0,0,0|2,0,1]=4 446 B18R2.14566 CC(C)(C)c1ccccc1NCC2=NCCN2 34a_100000211005_100000737910 [0,1,0,0,0,0|1,0,0]=2 447 B18R2.14566 CC(C)(C)c1ccccc1NCC2=NCCN2 7a_100000211005_100000737910 [0,1,0,0,0,0|1,0,0]=2 448 B18R2.14566 CC(C)(C)c1ccccc1NCc2ncc[nH]2 207a_100000211005_100000743867 [0,1,0,0,0,0|1,0,2]=4 449 B18R2.14566 CC(C)(C)c1ccccc1NCc2ncc[nH]2 2230a_100000211005_100016991755 [0,1,0,0,0,0|1,0,2]=4 450 B18R2.14566 CC(C)(C)c1ccccc1NCc2ncc[nH]2 34a_100000211005_100016991755 [0,1,0,0,0,0|1,0,2]=4 451 B18R2.14566 CC(C)(C)c1ccccc1NCc2ncc[nH]2 7a_100000211005_100000753453 [0,1,0,0,0,0|1,0,2]=4 452 B18R2.14566 CC(C)(C)c1ccccc1NCc2nnn[nH]2 34a_100000211005_100000765167 [0,1,0,0,0,0|3,0,0]=4 453 B18R2.14566 CC(C)(C)c1ccccc1NCc2nnn[nH]2 7a_100000211005_100000765167 [0,1,0,0,0,0|3,0,0]=4 454 B18R2.14566 CC(C)(C)c1ccccc1OCC2=NCCN2 34a_100000211619_100000737910 [0,1,0,0,0,0|0,0,0]=1 455 B18R2.14566 CC(C)(C)c1ccccc1OCC2=NCCN2 7a_100000211619_100000737910 [0,1,0,0,0,0|0,0,0]=1 456 B18R2.14566 CC(C)(C)c1ccccc1OCC2CCCC2 34a_100000211619_100000740388 [0,1,0,0,0,0|2,0,1]=4 457 B18R2.14566 CC(C)(C)c1ccccc1OCC2CCCC2 7a_100000211619_100000740388 [0,1,0,0,0,0|2,0,1]=4 458 B18R2.14566 CC(C)(C)c1ccccc1OCC2CCCO2 7a_100000211619_100000203698 [0,1,0,0,0,0|2,0,1]=4 459 B18R2.14566 CC(C)(C)c1ccccc1OCC2OCCO2 34a_100000211619_100000755774 [0,1,0,0,0,0|2,0,1]=4 460 B18R2.14566 CC(C)(C)c1ccccc1OCC2OCCO2 7a_100000211619_100000755774 [0,1,0,0,0,0|2,0,1]=4 461 B18R2.14566 CC(C)(C)c1ccccc1OCc2c[nH]cn2 34a_100000211619_100000707719 [0,1,0,0,0,0|2,0,1]=4 462 B18R2.14566 CC(C)(C)c1ccccc1OCc2ccn[nH]2 34a_100000211619_100000728653 [0,1,0,0,0,0|2,0,1]=4 463 B18R2.14566 CC(C)(C)c1ccccc1OCc2ccn[nH]2 7a_100000211619_100000728653 [0,1,0,0,0,0|2,0,1]=4 464 B18R2.14566 CC(C)(C)c1ccccc1OCc2ccon2 34a_100000211619_100000234950 [0,1,0,0,0,0|2,0,1]=4 465 B18R2.14566 CC(C)(C)c1ccccc1OCc2ccon2 7a_100000211619_100000234950 [0,1,0,0,0,0|2,0,1]=4 466 B18R2.14566 CC(C)(C)c1ccccc1OCc2cscn2 34a_100000211619_100000205941 [0,1,0,0,0,0|2,0,1]=4 467 B18R2.14566 CC(C)(C)c1ccccc1OCc2cscn2 7a_100000211619_100000205941 [0,1,0,0,0,0|2,0,1]=4 468 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncc[nH]2 34a_100000211619_100016991755 [0,1,0,0,0,0|0,0,2]=3 469 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncc[nH]2 7a_100000211619_100000753453 [0,1,0,0,0,0|0,0,2]=3 470 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncco2 34a_100000211619_103436540062 [0,1,0,0,0,0|1,0,2]=4 471 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncco2 7a_100000211619_103436540062 [0,1,0,0,0,0|1,0,2]=4 472 B18R2.14566 CC(C)(C)c1ccccc1OCc2nccs2 34a_100000211619_100015184050 [0,1,0,0,0,0|1,0,2]=4 473 B18R2.14566 CC(C)(C)c1ccccc1OCc2nccs2 7a_100000211619_100015184050 [0,1,0,0,0,0|1,0,2]=4 474 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncon2 34a_100000211619_100000233494 [0,1,0,0,0,0|1,0,2]=4 475 B18R2.14566 CC(C)(C)c1ccccc1OCc2nnn[nH]2 34a_100000211619_100000765167 [0,1,0,0,0,0|2,0,0]=3 476 B18R2.14566 CC(C)(C)c1ccccc1OCc2nnn[nH]2 7a_100000211619_100000765167 [0,1,0,0,0,0|2,0,0]=3 477 B18R2.14566 CC(C)(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100012339570 [0,1,0,0,0,0|0,1,0]=2 478 B18R2.14566 CC(C)(C)c1ccccc1SCC2=NCCN2 62a_100012339570_100000737910 [0,1,0,0,0,0|0,1,0]=2 479 B18R2.14566 CC(C)(C)c1ccccc1SCc2ncc[nH]2 62a_100012339570_100016991755 [0,1,0,0,0,0|0,1,2]=4 480 B18R2.14566 CC(C)(C)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100012339570 [0,1,0,0,0,0|0,1,2]=4 481 B18R2.14566 CC(C)(C)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100012339570 [0,1,0,0,0,0|2,1,0]=4 482 B18R2.14566 CC(C)(C)c1ccccc1SCc2nnn[nH]2 62a_100012339570_100000765167 [0,1,0,0,0,0|2,1,0]=4 483 B18R2.14566 CC(C)(C)c1ncncc1SCC2=NCCN2 62a_100000737910_200010089871 [0,1,0,0,0,0|2,1,0]=4 484 B18R2.14566 CC(C)(C)c1ncncc1SCC2=NCCN2 62a_200010089871_100000737910 [0,1,0,0,0,0|2,1,0]=4 485 B18R2.14566 CC(C)(N)c1ccccc1SCC2=NCCN2 62a_100000737910_100020606264 [0,1,0,0,0,0|0,1,0]=2 486 B18R2.14566 CC(C)(N)c1ccccc1SCC2=NCCN2 62a_100020606264_100000737910 [0,1,0,0,0,0|0,1,0]=2 487 B18R2.14566 CC(C)(N)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100020606264 [0,1,0,0,0,0|0,1,2]=4 488 B18R2.14566 CC(C)(N)c1ccccc1SCc2ncc[nH]2 62a_100020606264_100016991755 [0,1,0,0,0,0|0,1,2]=4 489 B18R2.14566 CC(C)(N)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100020606264 [0,1,0,0,0,0|2,1,0]=4 490 B18R2.14566 CC(C)(N)c1ccccc1SCc2nnn[nH]2 62a_100020606264_100000765167 [0,1,0,0,0,0|2,1,0]=4 491 B18R2.14566 CC(C)(O)c1ccccc1NCC2=NCCN2 34a_100000081495_100000737910 [0,1,0,0,0,0|1,0,0]=2 492 B18R2.14566 CC(C)(O)c1ccccc1NCC2=NCCN2 7a_100000081495_100000737910 [0,1,0,0,0,0|1,0,0]=2 493 B18R2.14566 CC(C)(O)c1ccccc1NCc2ncc[nH]2 207a_100000081495_100000743867 [0,1,0,0,0,0|1,0,2]=4 494 B18R2.14566 CC(C)(O)c1ccccc1NCc2ncc[nH]2 34a_100000081495_100016991755 [0,1,0,0,0,0|1,0,2]=4 495 B18R2.14566 CC(C)(O)c1ccccc1NCc2ncc[nH]2 7a_100000081495_100000753453 [0,1,0,0,0,0|1,0,2]=4 496 B18R2.14566 CC(C)(O)c1ccccc1NCc2nnn[nH]2 34a_100000081495_100000765167 [0,1,0,0,0,0|3,0,0]=4 497 B18R2.14566 CC(C)(O)c1ccccc1NCc2nnn[nH]2 7a_100000081495_100000765167 [0,1,0,0,0,0|3,0,0]=4 498 B18R2.14566 CC(C)(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100011346021 [0,1,0,0,0,0|0,1,0]=2 499 B18R2.14566 CC(C)(O)c1ccccc1SCC2=NCCN2 62a_100011346021_100000737910 [0,1,0,0,0,0|0,1,0]=2 500 B18R2.14566 CC(C)(O)c1ccccc1SCc2ncc[nH]2 62a_100011346021_100016991755 [0,1,0,0,0,0|0,1,2]=4 501 B18R2.14566 CC(C)(O)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100011346021 [0,1,0,0,0,0|0,1,2]=4 502 B18R2.14566 CC(C)(O)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100011346021 [0,1,0,0,0,0|2,1,0]=4 503 B18R2.14566 CC(C)(O)c1ccccc1SCc2nnn[nH]2 62a_100011346021_100000765167 [0,1,0,0,0,0|2,1,0]=4 504 B18R2.14566 CC(C)(O)c1cccnc1SCC2=NCCN2 62a_100000737910_100010080783 [0,1,0,0,0,0|1,1,0]=3 505 B18R2.14566 CC(C)(O)c1cccnc1SCC2=NCCN2 62a_100010080783_100000737910 [0,1,0,0,0,0|1,1,0]=3 506 B18R2.14566 CC(C)(O)c1ncccc1SCC2=NCCN2 62a_100000737910_200010080787 [0,1,0,0,0,0|1,1,0]=3 507 B18R2.14566 CC(C)(O)c1ncccc1SCC2=NCCN2 62a_200010080787_100000737910 [0,1,0,0,0,0|1,1,0]=3 508 B18R2.14566 CC(F)(F)c1ccccc1SCC2=NCCN2 62a_100000737910_100010220483 [0,1,0,0,0,0|1,1,0]=3 509 B18R2.14566 CC(F)(F)c1ccccc1SCC2=NCCN2 62a_100010220483_100000737910 [0,1,0,0,0,0|1,1,0]=3 510 B18R2.14566 CP(=O)(C)c1ccccc1NCC2=NCCN2 34a_100010749338_100000737910 [0,1,0,0,0,0|2,0,0]=3 511 B18R2.14566 CS(=O)(=O)c1ccccc1NCC2=NCCN2 34a_100000241000_100000737910 [0,1,0,0,0,0|3,0,0]=4 512 B18R2.14566 CS(=O)(=O)c1ccccc1NCC2=NCCN2 7a_100000241000_100000737910 [0,1,0,0,0,0|3,0,0]=4 513 B18R2.14566 CS(=O)(=O)c1ccccc1OCC2=NCCN2 34a_100000054562_100000737910 [0,1,0,0,0,0|2,0,0]=3 514 B18R2.14566 CS(=O)(=O)c1ccccc1OCC2=NCCN2 7a_100000054562_100000737910 [0,1,0,0,0,0|2,0,0]=3 515 B18R2.14566 CS(=O)(=O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000751929 [0,1,0,0,0,0|2,1,0]=4 516 B18R2.14566 CS(=O)(=O)c1ccccc1SCC2=NCCN2 62a_100000751929_100000737910 [0,1,0,0,0,0|2,1,0]=4 517 B18R2.14566 C[Si](C)(C)c1ccccc1OCC2=NCCN2 7a_100000095915_100000737910 [0,1,0,0,0,0|0,1,0]=2 518 B18R2.14566 C[Si](C)(C)c1ccccc1OCc2ncc[nH]2 7a_100000095915_100000753453 [0,1,0,0,0,0|0,1,2]=4 519 B18R2.14566 C[Si](C)(C)c1ccccc1OCc2nnn[nH]2 7a_100000095915_100000765167 [0,1,0,0,0,0|2,1,0]=4 520 B18R2.14566 FC(F)(F)c1ccccc1NCC2=NCCN2 34a_100000210055_100000737910 [0,1,0,0,0,0|3,0,0]=4 521 B18R2.14566 FC(F)(F)c1ccccc1NCC2=NCCN2 7a_100000210055_100000737910 [0,1,0,0,0,0|3,0,0]=4 522 B18R2.14566 FC(F)(F)c1ccccc1OCC2=NCCN2 34a_100000236976_100000737910 [0,1,0,0,0,0|2,0,0]=3 523 B18R2.14566 FC(F)(F)c1ccccc1OCC2=NCCN2 7a_100000236976_100000737910 [0,1,0,0,0,0|2,0,0]=3 524 B18R2.14566 FC(F)(F)c1ccccc1SCC2=NCCN2 62a_100000737910_100000750027 [0,1,0,0,0,0|2,1,0]=4 525 B18R2.14566 FC(F)(F)c1ccccc1SCC2=NCCN2 62a_100000750027_100000737910 [0,1,0,0,0,0|2,1,0]=4 526 B18R2.14566 FC(F)(F)c1ccncc1OCC2=NCCN2 34a_100000100502_100000737910 [0,1,0,0,0,0|3,0,0]=4 527 B18R2.14566 FC(F)(F)c1ccncc1OCC2=NCCN2 7a_100000100502_100000737910 [0,1,0,0,0,0|3,0,0]=4 528 B18R2.14566 FC(F)(F)c1cnccc1OCC2=NCCN2 34a_100009875464_100000737910 [0,1,0,0,0,0|3,0,0]=4 529 B18R2.14566 FC(F)(F)c1cnccc1OCC2=NCCN2 7a_100009875464_100000737910 [0,1,0,0,0,0|3,0,0]=4 530 B18R2.14566 FC(F)(F)c1ncccc1OCC2=NCCN2 34a_100009873705_100000737910 [0,1,0,0,0,0|3,0,0]=4 531 B18R2.14566 FC(F)(F)c1ncccc1OCC2=NCCN2 7a_100009873705_100000737910 [0,1,0,0,0,0|3,0,0]=4 532 B18R2.29411 CC(C)c1ccccc1NCc2n[nH]c(=O)[nH]2 2230a_100000210643_100000754189 [0,1,0,0,0,0|2,0,1]=4 533 B18R2.29411 CC(C)c1ccccc1NCc2n[nH]c(=O)[nH]2 7a_100000210643_100000754189 [0,1,0,0,0,0|2,0,1]=4 534 B18R2.29411 CC(C)c1ccccc1OC[C@@H]2CCC(=O)N2 7a_100000211617_100015189358 [0,1,0,0,0,0|1,0,2]=4 535 B18R2.29411 CC(C)c1ccccc1OCc2ccn(n2)C 34a_100000211617_100000726502 [0,1,0,0,0,0|2,0,1]=4 536 B18R2.29411 CC(C)c1ccccc1OCc2ccn(n2)C 7a_100000211617_100000726502 [0,1,0,0,0,0|2,0,1]=4 537 B18R2.29411 CC(C)c1ccccc1OCc2cn(cn2)C 34a_100000211617_100000717665 [0,1,0,0,0,0|2,0,1]=4 538 B18R2.29411 CC(C)c1ccccc1OCc2cn(cn2)C 7a_100000211617_100000717665 [0,1,0,0,0,0|2,0,1]=4 539 B18R2.29411 CC(C)c1ccccc1OCc2csc(n2)Cl 34a_100000211617_100000024076 [0,1,0,0,0,0|2,0,1]=4 540 B18R2.29411 CC(C)c1ccccc1OCc2csc(n2)Cl 7a_100000211617_100000024076 [0,1,0,0,0,0|2,0,1]=4 541 B18R2.29411 CC(C)c1ccccc1OCc2n[nH]c(=O)[nH]2 7a_100000211617_100000754189 [0,1,0,0,0,0|1,0,1]=3 542 B18R2.29411 CC(C)c1ccccc1OCc2ncn(n2)C 34a_100000211617_100016995526 [0,1,0,0,0,0|1,0,2]=4 543 B18R2.29411 CC(C)c1ccccc1OCc2ncn(n2)C 7a_100000211617_100016995526 [0,1,0,0,0,0|1,0,2]=4 544 B18R2.29411 CC(C)c1ccccc1OCc2nsc(n2)Cl 34a_100000211617_100000043760 [0,1,0,0,0,0|1,0,2]=4 545 B18R2.29411 CC(C)c1ccccc1SCc2n[nH]c(=O)[nH]2 62a_100000708600_100000754189 [0,1,0,0,0,0|1,1,1]=4 546 B18R2.29411 CC(C)c1ncccc1OCc2n[nH]c(=O)[nH]2 7a_100012183336_100000754189 [0,1,0,0,0,0|2,0,1]=4 547 B18R2.29411 CC(O)c1ccccc1OCc2n[nH]c(=O)[nH]2 7a_200011232679_100000754189 [0,1,0,0,0,0|2,0,1]=4 548 B18R2.29411 Cc1c[nH]c(n1)CNc2ccccc2C(C)C 207a_100000210643_100000082322 [0,1,0,0,0,0|1,0,2]=4 549 B18R2.29411 Cc1cc(no1)COc2ccccc2C(C)C 34a_100000211617_100000199038 [0,1,0,0,0,0|2,0,1]=4 550 B18R2.29411 Cc1cc(no1)COc2ccccc2C(C)C 7a_100000211617_100000199038 [0,1,0,0,0,0|2,0,1]=4 551 B18R2.29411 Cc1nc(cs1)COc2ccccc2C(C)C 34a_100000211617_100015186478 [0,1,0,0,0,0|2,0,1]=4 552 B18R2.29411 Cc1nc(cs1)COc2ccccc2C(C)C 7a_100000211617_100015186478 [0,1,0,0,0,0|2,0,1]=4 553 B18R2.29411 Cc1nc(no1)COc2ccccc2C(C)C 34a_100000211617_100000231061 [0,1,0,0,0,0|1,0,2]=4 554 B18R2.29411 Cc1nc(no1)COc2ccccc2C(C)C 7a_100000211617_100000231061 [0,1,0,0,0,0|1,0,2]=4 555 B18R2.29411 Cc1nnc(o1)COc2ccccc2C(C)C 7a_100000211617_100000181450 [0,1,0,0,0,0|2,0,1]=4 556 B18R2.29411 Cc1nnc(s1)COc2ccccc2C(C)C 34a_100000211617_100000688753 [0,1,0,0,0,0|2,0,1]=4 557 B18R2.29411 Cc1nnc(s1)COc2ccccc2C(C)C 7a_100000211617_100000688753 [0,1,0,0,0,0|2,0,1]=4 558 B18R2.29411 Cc1noc(n1)COc2ccccc2C(C)C 270196a_100000212224_100000183894 [0,1,0,0,0,0|2,0,1]=4 559 B18R2.29411 Cc1noc(n1)COc2ccccc2C(C)C 34a_100000211617_100000735555 [0,1,0,0,0,0|2,0,1]=4 560 B18R2.29411 Cc1noc(n1)COc2ccccc2C(C)C 7a_100000211617_100000735555 [0,1,0,0,0,0|2,0,1]=4 561 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)C 34a_100009847209_100000737910 [0,1,0,0,0,0|1,0,1]=3 562 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)C 7a_100009847209_100000737910 [0,1,0,0,0,0|1,0,1]=3 563 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)Cl 34a_100000043392_100000737910 [0,1,0,0,0,0|1,0,1]=3 564 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)Cl 7a_100000043392_100000737910 [0,1,0,0,0,0|1,0,1]=3 565 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)F 34a_100011246037_100000737910 [0,1,0,0,0,0|1,0,1]=3 566 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)F 7a_100011246037_100000737910 [0,1,0,0,0,0|1,0,1]=3 567 B18R2.39218 CC(=O)c1cccc(c1SCC2=NCCN2)F 62a_100000737910_100012362612 [0,1,0,0,0,0|1,1,1]=4 568 B18R2.39218 CC(=O)c1cccc(c1SCC2=NCCN2)F 62a_100012362612_100000737910 [0,1,0,0,0,0|1,1,1]=4 569 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Br 34a_100010571509_100000737910 [0,1,0,0,0,0|1,0,0]=2 570 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Br 7a_100010571509_100000737910 [0,1,0,0,0,0|1,0,0]=2 571 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Cl 34a_200009958663_100000737910 [0,1,0,0,0,0|1,0,0]=2 572 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Cl 7a_200009958663_100000737910 [0,1,0,0,0,0|1,0,0]=2 573 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)Br 2230a_100010571509_100016991755 [0,1,0,0,0,0|1,0,2]=4 574 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)Br 34a_100010571509_100016991755 [0,1,0,0,0,0|1,0,2]=4 575 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)Br 7a_100010571509_100000753453 [0,1,0,0,0,0|1,0,2]=4 576 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)Cl 207a_200009958663_100000743867 [0,1,0,0,0,0|1,0,2]=4 577 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)Cl 2230a_200009958663_100016991755 [0,1,0,0,0,0|1,0,2]=4 578 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)Cl 34a_200009958663_100016991755 [0,1,0,0,0,0|1,0,2]=4 579 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)Cl 7a_200009958663_100000753453 [0,1,0,0,0,0|1,0,2]=4 580 B18R2.39218 CC(C)c1cccc(c1NCc2nnn[nH]2)Br 34a_100010571509_100000765167 [0,1,0,0,0,0|3,0,0]=4 581 B18R2.39218 CC(C)c1cccc(c1NCc2nnn[nH]2)Br 7a_100010571509_100000765167 [0,1,0,0,0,0|3,0,0]=4 582 B18R2.39218 CC(C)c1cccc(c1NCc2nnn[nH]2)Cl 34a_200009958663_100000765167 [0,1,0,0,0,0|3,0,0]=4 583 B18R2.39218 CC(C)c1cccc(c1NCc2nnn[nH]2)Cl 7a_200009958663_100000765167 [0,1,0,0,0,0|3,0,0]=4 584 B18R2.39218 Cc1cccc(c1NCC2=NCCN2)C(C)C 34a_100138557336_100000737910 [0,1,0,0,0,0|1,0,0]=2 585 B18R2.39218 Cc1cccc(c1NCC2=NCCN2)C(C)C 7a_100138557336_100000737910 [0,1,0,0,0,0|1,0,0]=2 586 B18R2.39218 Cc1cccc(c1NCc2ncc[nH]2)C(C)C 207a_100138557336_100000743867 [0,1,0,0,0,0|1,0,2]=4 587 B18R2.39218 Cc1cccc(c1NCc2ncc[nH]2)C(C)C 2230a_100138557336_100016991755 [0,1,0,0,0,0|1,0,2]=4 588 B18R2.39218 Cc1cccc(c1NCc2ncc[nH]2)C(C)C 34a_100138557336_100016991755 [0,1,0,0,0,0|1,0,2]=4 589 B18R2.39218 Cc1cccc(c1NCc2ncc[nH]2)C(C)C 7a_100138557336_100000753453 [0,1,0,0,0,0|1,0,2]=4 590 B18R2.39218 Cc1cccc(c1NCc2nnn[nH]2)C(C)C 34a_100138557336_100000765167 [0,1,0,0,0,0|3,0,0]=4 591 B18R2.39218 Cc1cccc(c1NCc2nnn[nH]2)C(C)C 7a_100138557336_100000765167 [0,1,0,0,0,0|3,0,0]=4 592 B18R2.39218 Cc1cccc(c1OCC2=NCCN2)[N+](=O)[O-] 34a_100000763257_100000737910 [0,1,0,0,0,0|3,0,0]=4 593 B18R2.39218 Cc1cccc(c1OCC2=NCCN2)[N+](=O)[O-] 7a_100000763257_100000737910 [0,1,0,0,0,0|3,0,0]=4 594 B18R2.39218 Fc1cccc(c1SCC2=NCCN2)C(F)F 62a_100000737910_100010189888 [0,1,0,0,0,0|2,1,0]=4 595 B18R2.39218 Fc1cccc(c1SCC2=NCCN2)C(F)F 62a_100010189888_100000737910 [0,1,0,0,0,0|2,1,0]=4 596 B18R2.39218 NC(=O)c1cccc(c1OCC2=NCCN2)Cl 34a_100009868166_100000737910 [0,1,0,0,0,0|2,0,1]=4 597 B18R2.39218 NC(=O)c1cccc(c1OCC2=NCCN2)Cl 7a_100009868166_100000737910 [0,1,0,0,0,0|2,0,1]=4 598 B18R2.39218 NC(=O)c1cccc(c1OCC2=NCCN2)F 34a_100009886295_100000737910 [0,1,0,0,0,0|2,0,1]=4 599 B18R2.39218 NC(=O)c1cccc(c1OCC2=NCCN2)F 7a_100009886295_100000737910 [0,1,0,0,0,0|2,0,1]=4 600 B18R2.39218 O=[N+]([O-])c1cccc(c1OCC2=NCCN2)Br 34a_100000689966_100000737910 [0,1,0,0,0,0|3,0,0]=4 601 B18R2.39218 O=[N+]([O-])c1cccc(c1OCC2=NCCN2)Cl 34a_100000686934_100000737910 [0,1,0,0,0,0|3,0,0]=4 602 B18R2.39218 O=[N+]([O-])c1cccc(c1OCC2=NCCN2)Cl 7a_100000686934_100000737910 [0,1,0,0,0,0|3,0,0]=4 603 B18R2.39218 O=[N+]([O-])c1cccc(c1OCC2=NCCN2)F 34a_100000690172_100000737910 [0,1,0,0,0,0|3,0,0]=4 604 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Br 34a_100010174959_100000737910 [0,1,0,0,0,0|1,0,1]=3 605 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Br 7a_100010174959_100000737910 [0,1,0,0,0,0|1,0,1]=3 606 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)C 34a_100009860897_100000737910 [0,1,0,0,0,0|1,0,1]=3 607 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)C 7a_100009860897_100000737910 [0,1,0,0,0,0|1,0,1]=3 608 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Cl 34a_100000730630_100000737910 [0,1,0,0,0,0|1,0,1]=3 609 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Cl 7a_100000730630_100000737910 [0,1,0,0,0,0|1,0,1]=3 610 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)F 34a_100011216272_100000737910 [0,1,0,0,0,0|1,0,1]=3 611 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)F 7a_100011216272_100000737910 [0,1,0,0,0,0|1,0,1]=3 612 B18R2.65599 CC(=O)c1c(cccc1SCC2=NCCN2)F 62a_100012351873_100000737910 [0,1,0,0,0,0|1,1,1]=4 613 B18R2.65599 CC(C)c1c(ncnc1SCC2=NCCN2)N 62a_100000737910_200011913463 [0,1,0,0,0,0|2,1,0]=4 614 B18R2.65599 CC(C)c1c(ncnc1SCC2=NCCN2)N 62a_200011913463_100000737910 [0,1,0,0,0,0|2,1,0]=4 615 B18R2.65599 CC(O)c1c(cccc1SCC2=NCCN2)F 62a_100000737910_100013085324 [0,1,0,0,0,0|1,1,0]=3 616 B18R2.65599 CC(O)c1c(cccc1SCC2=NCCN2)F 62a_100013085324_100000737910 [0,1,0,0,0,0|1,1,0]=3 617 B18R2.65599 Cc1cccc(c1[N+](=O)[O-])OCC2=NCCN2 34a_100000740142_100000737910 [0,1,0,0,0,0|3,0,0]=4 618 B18R2.65599 Cc1cccc(c1[N+](=O)[O-])OCC2=NCCN2 7a_100000740142_100000737910 [0,1,0,0,0,0|3,0,0]=4 619 B18R2.65599 Fc1cccc(c1C(F)F)SCC2=NCCN2 62a_100000737910_100010189891 [0,1,0,0,0,0|2,1,0]=4 620 B18R2.65599 Fc1cccc(c1C(F)F)SCC2=NCCN2 62a_100010189891_100000737910 [0,1,0,0,0,0|2,1,0]=4 621 B18R2.65599 NC(=O)c1c(cccc1OCC2=NCCN2)F 34a_100000701607_100000737910 [0,1,0,0,0,0|2,0,1]=4 622 B18R2.65599 NC(=O)c1c(cccc1OCC2=NCCN2)F 7a_100000701607_100000737910 [0,1,0,0,0,0|2,0,1]=4 623 B18R2.65599 O=[N+]([O-])c1c(cccc1OCC2=NCCN2)Br 34a_100011934925_100000737910 [0,1,0,0,0,0|3,0,0]=4 624 B18R2.65599 O=[N+]([O-])c1c(cccc1OCC2=NCCN2)Br 7a_100011934925_100000737910 [0,1,0,0,0,0|3,0,0]=4 625 B18R2.65599 O=[N+]([O-])c1c(cccc1OCC2=NCCN2)Cl 34a_100011999376_100000737910 [0,1,0,0,0,0|3,0,0]=4 626 B18R2.65599 O=[N+]([O-])c1c(cccc1OCC2=NCCN2)Cl 7a_100011999376_100000737910 [0,1,0,0,0,0|3,0,0]=4 627 B18R2.65599 O=[N+]([O-])c1c(cccc1OCC2=NCCN2)F 34a_100011217962_100000737910 [0,1,0,0,0,0|3,0,0]=4 628 B18R2.65599 O=[N+]([O-])c1c(cccc1OCC2=NCCN2)F 7a_100011217962_100000737910 [0,1,0,0,0,0|3,0,0]=4 629 B18R2.65599 O=[N+]([O-])c1c(cccc1OCC2=NCCN2)I 7a_100010150324_100000737910 [0,1,0,0,0,0|3,0,0]=4 630 B18R2.66887 C=C(C)c1cc(ccc1NCC2=NCCN2)F 34a_100009961556_100000737910 [0,1,0,0,0,0|1,0,2]=4 631 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Br 34a_100000212127_100000737910 [0,1,0,0,0,0|1,0,1]=3 632 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Br 7a_100000212127_100000737910 [0,1,0,0,0,0|1,0,1]=3 633 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)C 34a_100000195442_100000737910 [0,1,0,0,0,0|1,0,1]=3 634 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)C 7a_100000195442_100000737910 [0,1,0,0,0,0|1,0,1]=3 635 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Cl 34a_100000185566_100000737910 [0,1,0,0,0,0|1,0,1]=3 636 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Cl 7a_100000185566_100000737910 [0,1,0,0,0,0|1,0,1]=3 637 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)F 7a_100000182812_100000737910 [0,1,0,0,0,0|1,0,1]=3 638 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)I 7a_100010712555_100000737910 [0,1,0,0,0,0|1,0,1]=3 639 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)N 34a_100011218865_100000737910 [0,1,0,0,0,0|1,0,1]=3 640 B18R2.66887 CC(=O)c1cc(ccc1SCC2=NCCN2)Br 62a_100012349576_100000737910 [0,1,0,0,0,0|1,1,1]=4 641 B18R2.66887 CC(=O)c1cc(ccc1SCC2=NCCN2)C 62a_100000737910_100012361225 [0,1,0,0,0,0|1,1,1]=4 642 B18R2.66887 CC(=O)c1cc(ccc1SCC2=NCCN2)C 62a_100012361225_100000737910 [0,1,0,0,0,0|1,1,1]=4 643 B18R2.66887 CC(=O)c1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100010200798 [0,1,0,0,0,0|1,1,1]=4 644 B18R2.66887 CC(=O)c1cc(ccc1SCC2=NCCN2)F 62a_100012353695_100000737910 [0,1,0,0,0,0|1,1,1]=4 645 B18R2.66887 CC(=O)c1cc(ccc1SCC2=NCCN2)N 62a_100012349454_100000737910 [0,1,0,0,0,0|1,1,1]=4 646 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)Br 34a_100000694223_100000737910 [0,1,0,0,0,0|1,0,0]=2 647 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)Br 7a_100000694223_100000737910 [0,1,0,0,0,0|1,0,0]=2 648 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)F 34a_100011941472_100000737910 [0,1,0,0,0,0|1,0,0]=2 649 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)F 7a_100011941472_100000737910 [0,1,0,0,0,0|1,0,0]=2 650 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)Br 207a_100000694223_100000743867 [0,1,0,0,0,0|1,0,2]=4 651 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)Br 2230a_100000694223_100016991755 [0,1,0,0,0,0|1,0,2]=4 652 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)Br 34a_100000694223_100016991755 [0,1,0,0,0,0|1,0,2]=4 653 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)Br 7a_100000694223_100000753453 [0,1,0,0,0,0|1,0,2]=4 654 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)F 207a_100011941472_100000743867 [0,1,0,0,0,0|1,0,2]=4 655 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)F 2230a_100011941472_100016991755 [0,1,0,0,0,0|1,0,2]=4 656 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)F 34a_100011941472_100016991755 [0,1,0,0,0,0|1,0,2]=4 657 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)F 7a_100011941472_100000753453 [0,1,0,0,0,0|1,0,2]=4 658 B18R2.66887 CC(C)c1cc(ccc1NCc2nnn[nH]2)Br 34a_100000694223_100000765167 [0,1,0,0,0,0|3,0,0]=4 659 B18R2.66887 CC(C)c1cc(ccc1NCc2nnn[nH]2)Br 7a_100000694223_100000765167 [0,1,0,0,0,0|3,0,0]=4 660 B18R2.66887 CC(C)c1cc(ccc1NCc2nnn[nH]2)F 34a_100011941472_100000765167 [0,1,0,0,0,0|3,0,0]=4 661 B18R2.66887 CC(C)c1cc(ccc1NCc2nnn[nH]2)F 7a_100011941472_100000765167 [0,1,0,0,0,0|3,0,0]=4 662 B18R2.66887 CC(C)c1cc(ccc1OCC2=NCCN2)Br 34a_100000691460_100000737910 [0,1,0,0,0,0|0,0,0]=1 663 B18R2.66887 CC(C)c1cc(ccc1OCC2=NCCN2)Br 7a_100000691460_100000737910 [0,1,0,0,0,0|0,0,0]=1 664 B18R2.66887 CC(C)c1cc(ccc1OCC2CCCC2)Br 34a_100000691460_100000740388 [0,1,0,0,0,0|2,0,1]=4 665 B18R2.66887 CC(C)c1cc(ccc1OCC2CCCC2)Br 7a_100000691460_100000740388 [0,1,0,0,0,0|2,0,1]=4 666 B18R2.66887 CC(C)c1cc(ccc1OCC2CCCO2)Br 7a_100000691460_100000203698 [0,1,0,0,0,0|2,0,1]=4 667 B18R2.66887 CC(C)c1cc(ccc1OCC2OCCO2)Br 34a_100000691460_100000755774 [0,1,0,0,0,0|2,0,1]=4 668 B18R2.66887 CC(C)c1cc(ccc1OCC2OCCO2)Br 7a_100000691460_100000755774 [0,1,0,0,0,0|2,0,1]=4 669 B18R2.66887 CC(C)c1cc(ccc1OCc2c[nH]cn2)Br 34a_100000691460_100000707719 [0,1,0,0,0,0|2,0,1]=4 670 B18R2.66887 CC(C)c1cc(ccc1OCc2ccn[nH]2)Br 34a_100000691460_100000728653 [0,1,0,0,0,0|2,0,1]=4 671 B18R2.66887 CC(C)c1cc(ccc1OCc2ccn[nH]2)Br 7a_100000691460_100000728653 [0,1,0,0,0,0|2,0,1]=4 672 B18R2.66887 CC(C)c1cc(ccc1OCc2ccon2)Br 34a_100000691460_100000234950 [0,1,0,0,0,0|2,0,1]=4 673 B18R2.66887 CC(C)c1cc(ccc1OCc2ccon2)Br 7a_100000691460_100000234950 [0,1,0,0,0,0|2,0,1]=4 674 B18R2.66887 CC(C)c1cc(ccc1OCc2cscn2)Br 34a_100000691460_100000205941 [0,1,0,0,0,0|2,0,1]=4 675 B18R2.66887 CC(C)c1cc(ccc1OCc2cscn2)Br 7a_100000691460_100000205941 [0,1,0,0,0,0|2,0,1]=4 676 B18R2.66887 CC(C)c1cc(ccc1OCc2ncc[nH]2)Br 34a_100000691460_100016991755 [0,1,0,0,0,0|0,0,2]=3 677 B18R2.66887 CC(C)c1cc(ccc1OCc2ncc[nH]2)Br 7a_100000691460_100000753453 [0,1,0,0,0,0|0,0,2]=3 678 B18R2.66887 CC(C)c1cc(ccc1OCc2ncco2)Br 34a_100000691460_103436540062 [0,1,0,0,0,0|1,0,2]=4 679 B18R2.66887 CC(C)c1cc(ccc1OCc2ncco2)Br 7a_100000691460_103436540062 [0,1,0,0,0,0|1,0,2]=4 680 B18R2.66887 CC(C)c1cc(ccc1OCc2nccs2)Br 34a_100000691460_100015184050 [0,1,0,0,0,0|1,0,2]=4 681 B18R2.66887 CC(C)c1cc(ccc1OCc2nccs2)Br 7a_100000691460_100015184050 [0,1,0,0,0,0|1,0,2]=4 682 B18R2.66887 CC(C)c1cc(ccc1OCc2ncon2)Br 34a_100000691460_100000233494 [0,1,0,0,0,0|1,0,2]=4 683 B18R2.66887 CC(C)c1cc(ccc1OCc2nnn[nH]2)Br 34a_100000691460_100000765167 [0,1,0,0,0,0|2,0,0]=3 684 B18R2.66887 CC(C)c1cc(ccc1OCc2nnn[nH]2)Br 7a_100000691460_100000765167 [0,1,0,0,0,0|2,0,0]=3 685 B18R2.66887 CC(C)c1cc(ccc1SCC2=NCCN2)Br 62a_100000737910_100010244561 [0,1,0,0,0,0|0,1,0]=2 686 B18R2.66887 CC(C)c1cc(ccc1SCC2=NCCN2)Br 62a_100010244561_100000737910 [0,1,0,0,0,0|0,1,0]=2 687 B18R2.66887 CC(C)c1cc(ccc1SCc2ncc[nH]2)Br 62a_100010244561_100016991755 [0,1,0,0,0,0|0,1,2]=4 688 B18R2.66887 CC(C)c1cc(ccc1SCc2ncc[nH]2)Br 62a_100016991755_100010244561 [0,1,0,0,0,0|0,1,2]=4 689 B18R2.66887 CC(C)c1cc(ccc1SCc2nnn[nH]2)Br 62a_100000765167_100010244561 [0,1,0,0,0,0|2,1,0]=4 690 B18R2.66887 CC(C)c1cc(ccc1SCc2nnn[nH]2)Br 62a_100010244561_100000765167 [0,1,0,0,0,0|2,1,0]=4 691 B18R2.66887 CC(N)c1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100012343209 [0,1,0,0,0,0|1,1,0]=3 692 B18R2.66887 CC(N)c1cc(ccc1SCC2=NCCN2)F 62a_100012343209_100000737910 [0,1,0,0,0,0|1,1,0]=3 693 B18R2.66887 CC(O)c1cc(ccc1OCC2=NCCN2)F 34a_200011305312_100000737910 [0,1,0,0,0,0|1,0,0]=2 694 B18R2.66887 CC(O)c1cc(ccc1OCC2=NCCN2)F 7a_200011305312_100000737910 [0,1,0,0,0,0|1,0,0]=2 695 B18R2.66887 CC(O)c1cc(ccc1OCc2ncc[nH]2)F 34a_200011305312_100016991755 [0,1,0,0,0,0|1,0,2]=4 696 B18R2.66887 CC(O)c1cc(ccc1OCc2ncc[nH]2)F 7a_200011305312_100000753453 [0,1,0,0,0,0|1,0,2]=4 697 B18R2.66887 CC(O)c1cc(ccc1OCc2nnn[nH]2)F 34a_200011305312_100000765167 [0,1,0,0,0,0|3,0,0]=4 698 B18R2.66887 CC(O)c1cc(ccc1OCc2nnn[nH]2)F 7a_200011305312_100000765167 [0,1,0,0,0,0|3,0,0]=4 699 B18R2.66887 CN(C)c1cc(ccc1SCC2=NCCN2)O 62a_100000737910_200010083878 [0,1,0,0,0,0|1,1,0]=3 700 B18R2.66887 C[C@@H](N)c1cc(ccc1OCC2=NCCN2)Cl 34a_100011853016_100000737910 [0,1,0,0,0,0|1,0,0]=2 701 B18R2.66887 C[C@@H](N)c1cc(ccc1OCC2=NCCN2)Cl 7a_100011853016_100000737910 [0,1,0,0,0,0|1,0,0]=2 702 B18R2.66887 C[C@@H](N)c1cc(ccc1OCc2ncc[nH]2)Cl 34a_100011853016_100016991755 [0,1,0,0,0,0|1,0,2]=4 703 B18R2.66887 C[C@@H](N)c1cc(ccc1OCc2ncc[nH]2)Cl 7a_100011853016_100000753453 [0,1,0,0,0,0|1,0,2]=4 704 B18R2.66887 C[C@@H](N)c1cc(ccc1OCc2nnn[nH]2)Cl 34a_100011853016_100000765167 [0,1,0,0,0,0|3,0,0]=4 705 B18R2.66887 C[C@@H](N)c1cc(ccc1OCc2nnn[nH]2)Cl 7a_100011853016_100000765167 [0,1,0,0,0,0|3,0,0]=4 706 B18R2.66887 C[C@H](N)c1cc(ccc1OCC2=NCCN2)F 34a_100160469477_100000737910 [0,1,0,0,0,0|1,0,0]=2 707 B18R2.66887 C[C@H](N)c1cc(ccc1OCC2=NCCN2)F 7a_100160469477_100000737910 [0,1,0,0,0,0|1,0,0]=2 708 B18R2.66887 C[C@H](N)c1cc(ccc1OCc2ncc[nH]2)F 34a_100160469477_100016991755 [0,1,0,0,0,0|1,0,2]=4 709 B18R2.66887 C[C@H](N)c1cc(ccc1OCc2ncc[nH]2)F 7a_100160469477_100000753453 [0,1,0,0,0,0|1,0,2]=4 710 B18R2.66887 C[C@H](N)c1cc(ccc1OCc2nnn[nH]2)F 34a_100160469477_100000765167 [0,1,0,0,0,0|3,0,0]=4 711 B18R2.66887 C[C@H](N)c1cc(ccc1OCc2nnn[nH]2)F 7a_100160469477_100000765167 [0,1,0,0,0,0|3,0,0]=4 712 B18R2.66887 C[C@H](O)c1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100134768474 [0,1,0,0,0,0|1,1,0]=3 713 B18R2.66887 C[C@H](O)c1cc(ccc1SCC2=NCCN2)F 62a_100134768474_100000737910 [0,1,0,0,0,0|1,1,0]=3 714 B18R2.66887 Cc1ccc(c(c1)C(=O)N)OCC2=NCCN2 34a_200000192840_100000737910 [0,1,0,0,0,0|2,0,1]=4 715 B18R2.66887 Cc1ccc(c(c1)C(=O)N)OCC2=NCCN2 7a_200000192840_100000737910 [0,1,0,0,0,0|2,0,1]=4 716 B18R2.66887 Cc1ccc(c(c1)[N+](=O)[O-])OCC2=NCCN2 34a_100000195567_100000737910 [0,1,0,0,0,0|3,0,0]=4 717 B18R2.66887 Cc1ccc(c(c1)[N+](=O)[O-])OCC2=NCCN2 7a_100000195567_100000737910 [0,1,0,0,0,0|3,0,0]=4 718 B18R2.66887 Fc1ccc(c(c1)C(F)F)SCC2=NCCN2 62a_100000737910_100010189890 [0,1,0,0,0,0|2,1,0]=4 719 B18R2.66887 Fc1ccc(c(c1)C(F)F)SCC2=NCCN2 62a_100010189890_100000737910 [0,1,0,0,0,0|2,1,0]=4 720 B18R2.66887 NC(=O)c1cc(ccc1OCC2=NCCN2)Br 34a_100000192807_100000737910 [0,1,0,0,0,0|2,0,1]=4 721 B18R2.66887 NC(=O)c1cc(ccc1OCC2=NCCN2)Br 7a_100000192807_100000737910 [0,1,0,0,0,0|2,0,1]=4 722 B18R2.66887 NC(=O)c1cc(ccc1OCC2=NCCN2)Cl 34a_100000185026_100000737910 [0,1,0,0,0,0|2,0,1]=4 723 B18R2.66887 NC(=O)c1cc(ccc1OCC2=NCCN2)Cl 7a_100000185026_100000737910 [0,1,0,0,0,0|2,0,1]=4 724 B18R2.66887 NC(=O)c1cc(ccc1OCC2=NCCN2)F 34a_100012186459_100000737910 [0,1,0,0,0,0|2,0,1]=4 725 B18R2.66887 NC(=O)c1cc(ccc1OCC2=NCCN2)F 7a_100012186459_100000737910 [0,1,0,0,0,0|2,0,1]=4 726 B18R2.66887 NC(=O)c1cc(ccc1OCC2=NCCN2)I 34a_100000192813_100000737910 [0,1,0,0,0,0|2,0,1]=4 727 B18R2.66887 NC(=O)c1cc(ccc1OCC2=NCCN2)I 7a_100000192813_100000737910 [0,1,0,0,0,0|2,0,1]=4 728 B18R2.66887 Nc1ccc(c(c1)[N+](=O)[O-])OCC2=NCCN2 34a_100000032192_100000737910 [0,1,0,0,0,0|3,0,0]=4 729 B18R2.66887 Nc1ccc(c(c1)[N+](=O)[O-])OCC2=NCCN2 7a_100000032192_100000737910 [0,1,0,0,0,0|3,0,0]=4 730 B18R2.66887 O=[N+]([O-])c1cc(ccc1OCC2=NCCN2)Br 34a_100000757407_100000737910 [0,1,0,0,0,0|3,0,0]=4 731 B18R2.66887 O=[N+]([O-])c1cc(ccc1OCC2=NCCN2)Br 7a_100000757407_100000737910 [0,1,0,0,0,0|3,0,0]=4 732 B18R2.66887 O=[N+]([O-])c1cc(ccc1OCC2=NCCN2)Cl 34a_100000212152_100000737910 [0,1,0,0,0,0|3,0,0]=4 733 B18R2.66887 O=[N+]([O-])c1cc(ccc1OCC2=NCCN2)Cl 7a_100000212152_100000737910 [0,1,0,0,0,0|3,0,0]=4 734 B18R2.66887 O=[N+]([O-])c1cc(ccc1OCC2=NCCN2)F 34a_100000748789_100000737910 [0,1,0,0,0,0|3,0,0]=4 735 B18R2.66887 O=[N+]([O-])c1cc(ccc1OCC2=NCCN2)F 7a_100000748789_100000737910 [0,1,0,0,0,0|3,0,0]=4 736 B18R2.66887 O=[N+]([O-])c1cc(ccc1OCC2=NCCN2)I 7a_100000698543_100000737910 [0,1,0,0,0,0|3,0,0]=4 737 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)Br 7a_100000188348_100000737910 [0,1,0,0,0,0|1,0,1]=3 738 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)C 34a_100000234885_100000737910 [0,1,0,0,0,0|1,0,1]=3 739 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)C 7a_100000234885_100000737910 [0,1,0,0,0,0|1,0,1]=3 740 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)Cl 34a_100000061402_100000737910 [0,1,0,0,0,0|1,0,1]=3 741 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)Cl 7a_100000061402_100000737910 [0,1,0,0,0,0|1,0,1]=3 742 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)F 7a_100011215782_100000737910 [0,1,0,0,0,0|1,0,1]=3 743 B18R2.67047 CC(=O)c1ccc(cc1SCC2=NCCN2)C 62a_100000737910_100012353930 [0,1,0,0,0,0|1,1,1]=4 744 B18R2.67047 CC(=O)c1ccc(cc1SCC2=NCCN2)C 62a_100012353930_100000737910 [0,1,0,0,0,0|1,1,1]=4 745 B18R2.67047 CC(=O)c1ccc(cc1SCC2=NCCN2)F 62a_100000686192_100000737910 [0,1,0,0,0,0|1,1,1]=4 746 B18R2.67047 CC(=O)c1ccc(cc1SCC2=NCCN2)O 62a_100012340537_100000737910 [0,1,0,0,0,0|1,1,1]=4 747 B18R2.67047 CC(C)c1ccc(cc1NCC2=NCCN2)F 34a_100012283353_100000737910 [0,1,0,0,0,0|1,0,0]=2 748 B18R2.67047 CC(C)c1ccc(cc1NCC2=NCCN2)F 7a_100012283353_100000737910 [0,1,0,0,0,0|1,0,0]=2 749 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)F 207a_100012283353_100000743867 [0,1,0,0,0,0|1,0,2]=4 750 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)F 2230a_100012283353_100016991755 [0,1,0,0,0,0|1,0,2]=4 751 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)F 34a_100012283353_100016991755 [0,1,0,0,0,0|1,0,2]=4 752 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)F 7a_100012283353_100000753453 [0,1,0,0,0,0|1,0,2]=4 753 B18R2.67047 CC(C)c1ccc(cc1NCc2nnn[nH]2)F 34a_100012283353_100000765167 [0,1,0,0,0,0|3,0,0]=4 754 B18R2.67047 CC(C)c1ccc(cc1NCc2nnn[nH]2)F 7a_100012283353_100000765167 [0,1,0,0,0,0|3,0,0]=4 755 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100012349029 [0,1,0,0,0,0|1,1,0]=3 756 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)F 62a_100012349029_100000737910 [0,1,0,0,0,0|1,1,0]=3 757 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)N 62a_100000737910_100011534197 [0,1,0,0,0,0|1,1,0]=3 758 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)N 62a_100011534197_100000737910 [0,1,0,0,0,0|1,1,0]=3 759 B18R2.67047 CN(C)c1ncc(cc1SCC2=NCCN2)N 62a_100000737910_200012353320 [0,1,0,0,0,0|2,1,0]=4 760 B18R2.67047 CN(C)c1ncc(cc1SCC2=NCCN2)N 62a_200012353320_100000737910 [0,1,0,0,0,0|2,1,0]=4 761 B18R2.67047 C[C@@H](N)c1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100025704064 [0,1,0,0,0,0|1,1,0]=3 762 B18R2.67047 C[C@@H](N)c1ccc(cc1SCC2=NCCN2)F 62a_100025704064_100000737910 [0,1,0,0,0,0|1,1,0]=3 763 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(=O)N 34a_100000192831_100000737910 [0,1,0,0,0,0|2,0,1]=4 764 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(=O)N 7a_100000192831_100000737910 [0,1,0,0,0,0|2,0,1]=4 765 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(C)C 34a_100000185798_100000737910 [0,1,0,0,0,0|0,0,0]=1 766 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(C)C 7a_100000185798_100000737910 [0,1,0,0,0,0|0,0,0]=1 767 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)[N+](=O)[O-] 34a_100000195450_100000737910 [0,1,0,0,0,0|3,0,0]=4 768 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)[N+](=O)[O-] 7a_100000195450_100000737910 [0,1,0,0,0,0|3,0,0]=4 769 B18R2.67047 Cc1ccc(c(c1)OCC2CCCC2)C(C)C 34a_100000185798_100000740388 [0,1,0,0,0,0|2,0,1]=4 770 B18R2.67047 Cc1ccc(c(c1)OCC2CCCC2)C(C)C 7a_100000185798_100000740388 [0,1,0,0,0,0|2,0,1]=4 771 B18R2.67047 Cc1ccc(c(c1)OCC2CCCO2)C(C)C 7a_100000185798_100000203698 [0,1,0,0,0,0|2,0,1]=4 772 B18R2.67047 Cc1ccc(c(c1)OCC2OCCO2)C(C)C 34a_100000185798_100000755774 [0,1,0,0,0,0|2,0,1]=4 773 B18R2.67047 Cc1ccc(c(c1)OCC2OCCO2)C(C)C 7a_100000185798_100000755774 [0,1,0,0,0,0|2,0,1]=4 774 B18R2.67047 Cc1ccc(c(c1)OCc2c[nH]cn2)C(C)C 34a_100000185798_100000707719 [0,1,0,0,0,0|2,0,1]=4 775 B18R2.67047 Cc1ccc(c(c1)OCc2ccn[nH]2)C(C)C 34a_100000185798_100000728653 [0,1,0,0,0,0|2,0,1]=4 776 B18R2.67047 Cc1ccc(c(c1)OCc2ccn[nH]2)C(C)C 7a_100000185798_100000728653 [0,1,0,0,0,0|2,0,1]=4 777 B18R2.67047 Cc1ccc(c(c1)OCc2ccon2)C(C)C 34a_100000185798_100000234950 [0,1,0,0,0,0|2,0,1]=4 778 B18R2.67047 Cc1ccc(c(c1)OCc2ccon2)C(C)C 7a_100000185798_100000234950 [0,1,0,0,0,0|2,0,1]=4 779 B18R2.67047 Cc1ccc(c(c1)OCc2cscn2)C(C)C 34a_100000185798_100000205941 [0,1,0,0,0,0|2,0,1]=4 780 B18R2.67047 Cc1ccc(c(c1)OCc2cscn2)C(C)C 7a_100000185798_100000205941 [0,1,0,0,0,0|2,0,1]=4 781 B18R2.67047 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)C 34a_100000185798_100016991755 [0,1,0,0,0,0|0,0,2]=3 782 B18R2.67047 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)C 7a_100000185798_100000753453 [0,1,0,0,0,0|0,0,2]=3 783 B18R2.67047 Cc1ccc(c(c1)OCc2ncco2)C(C)C 34a_100000185798_103436540062 [0,1,0,0,0,0|1,0,2]=4 784 B18R2.67047 Cc1ccc(c(c1)OCc2ncco2)C(C)C 7a_100000185798_103436540062 [0,1,0,0,0,0|1,0,2]=4 785 B18R2.67047 Cc1ccc(c(c1)OCc2nccs2)C(C)C 34a_100000185798_100015184050 [0,1,0,0,0,0|1,0,2]=4 786 B18R2.67047 Cc1ccc(c(c1)OCc2nccs2)C(C)C 7a_100000185798_100015184050 [0,1,0,0,0,0|1,0,2]=4 787 B18R2.67047 Cc1ccc(c(c1)OCc2ncon2)C(C)C 34a_100000185798_100000233494 [0,1,0,0,0,0|1,0,2]=4 788 B18R2.67047 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)C 34a_100000185798_100000765167 [0,1,0,0,0,0|2,0,0]=3 789 B18R2.67047 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)C 7a_100000185798_100000765167 [0,1,0,0,0,0|2,0,0]=3 790 B18R2.67047 Cc1ccc(c(c1)SCC2=NCCN2)N(C)C 62a_100000737910_100012353700 [0,1,0,0,0,0|1,1,0]=3 791 B18R2.67047 Cc1ccc(c(c1)SCC2=NCCN2)N(C)C 62a_100012353700_100000737910 [0,1,0,0,0,0|1,1,0]=3 792 B18R2.67047 Cc1cnc(c(n1)SCC2=NCCN2)C(C)C 62a_100000737910_100015629263 [0,1,0,0,0,0|2,1,0]=4 793 B18R2.67047 Cc1cnc(c(n1)SCC2=NCCN2)C(C)C 62a_100015629263_100000737910 [0,1,0,0,0,0|2,1,0]=4 794 B18R2.67047 Fc1ccc(c(c1)SCC2=NCCN2)C(F)F 62a_100000737910_100010169823 [0,1,0,0,0,0|2,1,0]=4 795 B18R2.67047 Fc1ccc(c(c1)SCC2=NCCN2)C(F)F 62a_100010169823_100000737910 [0,1,0,0,0,0|2,1,0]=4 796 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)Br 34a_100011550861_100000737910 [0,1,0,0,0,0|2,0,1]=4 797 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)Br 7a_100011550861_100000737910 [0,1,0,0,0,0|2,0,1]=4 798 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)Cl 34a_100000192836_100000737910 [0,1,0,0,0,0|2,0,1]=4 799 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)Cl 7a_100000192836_100000737910 [0,1,0,0,0,0|2,0,1]=4 800 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)N 34a_100000223280_100000737910 [0,1,0,0,0,0|2,0,1]=4 801 B18R2.67047 NC(=O)c1ccc(cc1OCC2=NCCN2)N 7a_100000223280_100000737910 [0,1,0,0,0,0|2,0,1]=4 802 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)Br 7a_100011934350_100000737910 [0,1,0,0,0,0|3,0,0]=4 803 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)Cl 34a_100000746067_100000737910 [0,1,0,0,0,0|3,0,0]=4 804 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)Cl 7a_100000746067_100000737910 [0,1,0,0,0,0|3,0,0]=4 805 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)F 34a_100000210785_100000737910 [0,1,0,0,0,0|3,0,0]=4 806 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)F 7a_100000210785_100000737910 [0,1,0,0,0,0|3,0,0]=4 807 B18R2.67047 O=[N+]([O-])c1ccc(cc1OCC2=NCCN2)I 7a_100000072657_100000737910 [0,1,0,0,0,0|3,0,0]=4 808 B16R1.3900 C#CCNCCOc1ccccc1C(C)C 2230a_100000754683_100000038162 [0,0,1,0,0,0|1,0,2]=4 809 B16R1.3900 C#CCNCCOc1ccccc1C(C)C 34a_100000754683_100000184674 [0,0,1,0,0,0|1,0,2]=4 810 B16R1.3900 C=CCNCCOc1ccccc1C(C)C 2230a_100000754683_100000210623 [0,0,1,0,0,0|1,0,2]=4 811 B16R1.3900 C=CCNCCOc1ccccc1C(C)C 34a_100000754683_100015514636 [0,0,1,0,0,0|1,0,2]=4 812 B16R1.3900 CC(C)c1ccccc1OCCCCCF 34a_100000211617_100000729378 [0,0,1,0,0,0|2,0,1]=4 813 B16R1.3900 CC(C)c1ccccc1OCCCCCF 7a_100000211617_100000729378 [0,0,1,0,0,0|2,0,1]=4 814 B16R1.3900 CC(C)c1ccccc1OCCCCCO 34a_100000211617_100000746330 [0,0,1,0,0,0|2,0,1]=4 815 B16R1.3900 CC(C)c1ccccc1OCCCCCO 7a_100000211617_100000746330 [0,0,1,0,0,0|2,0,1]=4 816 B16R1.3900 CC(C)c1ccccc1OCCNCC#N 2230a_100000754683_100011215382 [0,0,1,0,0,0|0,0,3]=4 817 B16R1.3900 CC(C)c1ccccc1OCCNCC=O 2230a_100000754683_200015260668 [0,0,1,0,0,0|1,0,2]=4 818 B16R1.3900 CC(C)c1ccccc1OCCNCC=O 34a_100000754683_200009817547 [0,0,1,0,0,0|1,0,2]=4 819 B16R1.3900 CC(C)c1ccccc1OCCNCCF 2230a_100000754683_100011217306 [0,0,1,0,0,0|1,0,1]=3 820 B16R1.3900 CC(C)c1ccccc1OCCNCCF 34a_100000754683_100011217306 [0,0,1,0,0,0|1,0,1]=3 821 B16R1.3900 CC(C)c1ccccc1OCCNCCO 2230a_100000754683_100000211926 [0,0,1,0,0,0|1,0,1]=3 822 B16R1.3900 CC(C)c1ccccc1OCCNCCO 34a_100000754683_100000211926 [0,0,1,0,0,0|1,0,1]=3 823 B16R1.3900 CC(C)c1ccccc1OCCOCCO 34a_100000211617_100000692535 [0,0,1,0,0,0|2,0,1]=4 824 B16R1.3900 CC(C)c1ccccc1OCCOCCO 7a_100000211617_100011215305 [0,0,1,0,0,0|2,0,1]=4 825 B16R1.3900 CCCCCCOc1ccccc1C(C)C 34a_100000211617_100000210314 [0,0,1,0,0,0|2,0,1]=4 826 B16R1.3900 CCCCCCOc1ccccc1C(C)C 7a_100000211617_100000210314 [0,0,1,0,0,0|2,0,1]=4 827 B16R1.3900 CCCCOCOc1ccccc1C(C)C 34a_100000211617_100011995733 [0,0,1,0,0,0|3,0,0]=4 828 B16R1.3900 CCCNCCOc1ccccc1C(C)C 2230a_100000754683_100000210303 [0,0,1,0,0,0|1,0,1]=3 829 B16R1.3900 CCCNCCOc1ccccc1C(C)C 34a_100000754683_100000210303 [0,0,1,0,0,0|1,0,1]=3 830 B16R1.3900 CCCOCCOc1ccccc1C(C)C 34a_100000211617_100011215938 [0,0,1,0,0,0|2,0,1]=4 831 B16R1.3900 CCCOCCOc1ccccc1C(C)C 7a_100000211617_100011215938 [0,0,1,0,0,0|2,0,1]=4 832 B16R1.3900 COCNCCOc1ccccc1C(C)C 2230a_100000754683_100000766300 [0,0,1,0,0,0|2,0,1]=4 833 B16R1.3900 CSCNCCOc1ccccc1C(C)C 2230a_100000754683_100011218213 [0,0,1,0,0,0|2,0,1]=4 834 B16R1.3900 CSCNCCOc1ccccc1C(C)C 34a_100000754683_100011218213 [0,0,1,0,0,0|2,0,1]=4 835 B16R1.4440 CC(C)c1ccccc1NCC(=O)NCO 2230a_100000210643_100000185155 [0,0,1,0,0,0|3,0,0]=4 836 B16R1.4440 CC(C)c1ccccc1NCC(=O)NCO 34a_100000210643_100000185155 [0,0,1,0,0,0|3,0,0]=4 837 B16R1.4440 CC(C)c1ccccc1NCC(=O)NCO 7a_100000210643_100000185155 [0,0,1,0,0,0|3,0,0]=4 838 B16R1.4440 CC(C)c1ccccc1OCC(=O)CCF 1458a_100000183894_100011217306 [0,0,1,0,0,0|3,0,0]=4 839 B16R1.4440 CC(C)c1ccccc1OCC(=O)CCO 1458a_100000183894_100000211926 [0,0,1,0,0,0|3,0,0]=4 840 B16R1.4440 CC(C)c1ccccc1OCC(=O)NCO 34a_100000211617_100000185155 [0,0,1,0,0,0|2,0,0]=3 841 B16R1.4440 CC(C)c1ccccc1OCC(=O)NCO 7a_100000211617_100000185155 [0,0,1,0,0,0|2,0,0]=3 842 B16R1.4440 CC(C)c1ccccc1SCC(=O)NCO 62a_100000185155_100000708600 [0,0,1,0,0,0|2,1,0]=4 843 B16R1.4440 CC(C)c1ccccc1SCC(=O)NCO 62a_100000708600_100000185155 [0,0,1,0,0,0|2,1,0]=4 844 B16R1.4440 CC(C)c1ncccc1OCC(=O)NCO 34a_100012183336_100000185155 [0,0,1,0,0,0|3,0,0]=4 845 B16R1.4440 CC(C)c1ncccc1OCC(=O)NCO 7a_100012183336_100000185155 [0,0,1,0,0,0|3,0,0]=4 846 B16R1.4440 CC(O)c1ccccc1OCC(=O)NCO 34a_200011232679_100000185155 [0,0,1,0,0,0|3,0,0]=4 847 B16R1.4440 CC(O)c1ccccc1OCC(=O)NCO 7a_200011232679_100000185155 [0,0,1,0,0,0|3,0,0]=4 848 B16R1.4440 CCCC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000747444 [0,0,1,0,0,0|3,0,0]=4 849 B16R1.4440 CCCC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000747444 [0,0,1,0,0,0|3,0,0]=4 850 B16R1.4440 CCCC(=O)COc1ccccc1C(C)C 1458a_100000183894_100000210303 [0,0,1,0,0,0|2,0,0]=3 851 B16R1.4440 CCCC(=O)COc1ccccc1C(C)C 7a_100000211617_100000747444 [0,0,1,0,0,0|2,0,0]=3 852 B16R1.4440 CCCC(=O)COc1ccccc1C(C)O 7a_200011232679_100000747444 [0,0,1,0,0,0|3,0,0]=4 853 B16R1.4440 CCCC(=O)COc1cccnc1C(C)C 7a_100012183336_100000747444 [0,0,1,0,0,0|3,0,0]=4 854 B16R1.4440 CCCC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000747444 [0,0,1,0,0,0|2,1,0]=4 855 B16R1.4440 CCCC(=O)CSc1ccccc1C(C)C 62a_100000747444_100000708600 [0,0,1,0,0,0|2,1,0]=4 856 B16R1.4440 CCCC(C)COc1ccccc1C(C)C 34a_100000211617_100011216630 [0,0,1,0,0,0|2,0,1]=4 857 B16R1.4440 CCCC(C)COc1ccccc1C(C)C 7a_100000211617_100011216630 [0,0,1,0,0,0|2,0,1]=4 858 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000183381 [0,0,1,0,0,0|2,0,0]=3 859 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 34a_100000210643_100000183381 [0,0,1,0,0,0|2,0,0]=3 860 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000183381 [0,0,1,0,0,0|2,0,0]=3 861 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)O 2230a_100011405641_100000183381 [0,0,1,0,0,0|3,0,0]=4 862 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 11a_100015525214_100000183894 [0,0,1,0,0,0|1,0,0]=2 863 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 240690a_100015525214_100000183894 [0,0,1,0,0,0|1,0,0]=2 864 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 34a_100000211617_100000183381 [0,0,1,0,0,0|1,0,0]=2 865 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 527a_100015525214_100000183894 [0,0,1,0,0,0|1,0,0]=2 866 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 7a_100000211617_100000183381 [0,0,1,0,0,0|1,0,0]=2 867 B16R1.4440 CCNC(=O)COc1ccccc1C(C)O 34a_200011232679_100000183381 [0,0,1,0,0,0|2,0,0]=3 868 B16R1.4440 CCNC(=O)COc1ccccc1C(C)O 7a_200011232679_100000183381 [0,0,1,0,0,0|2,0,0]=3 869 B16R1.4440 CCNC(=O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000183381 [0,0,1,0,0,0|2,0,0]=3 870 B16R1.4440 CCNC(=O)COc1cccnc1C(C)C 34a_100012183336_100000183381 [0,0,1,0,0,0|2,0,0]=3 871 B16R1.4440 CCNC(=O)COc1cccnc1C(C)C 7a_100012183336_100000183381 [0,0,1,0,0,0|2,0,0]=3 872 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)C 62a_100000183381_100000708600 [0,0,1,0,0,0|1,1,0]=3 873 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000183381 [0,0,1,0,0,0|1,1,0]=3 874 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)N 62a_100000181357_100000183381 [0,0,1,0,0,0|2,1,0]=4 875 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)N 62a_100000183381_100000181357 [0,0,1,0,0,0|2,1,0]=4 876 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)O 62a_100000183381_100000702211 [0,0,1,0,0,0|2,1,0]=4 877 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)O 62a_100000702211_100000183381 [0,0,1,0,0,0|2,1,0]=4 878 B16R1.4440 CCNC(=O)CSc1ccccc1N(C)C 62a_100000183381_100011290883 [0,0,1,0,0,0|2,1,0]=4 879 B16R1.4440 CCNC(=O)CSc1ccccc1N(C)C 62a_100011290883_100000183381 [0,0,1,0,0,0|2,1,0]=4 880 B16R1.4440 CCNC(=O)CSc1ncccc1C(C)C 62a_100000183381_200010382935 [0,0,1,0,0,0|2,1,0]=4 881 B16R1.4440 CCNC(=O)CSc1ncccc1C(C)C 62a_200010382935_100000183381 [0,0,1,0,0,0|2,1,0]=4 882 B16R1.4440 CCNC(=O)NNc1ccccc1C(C)C 273464a_100015525214_100020603696 [0,0,1,0,0,0|3,0,0]=4 883 B16R1.4440 CCNC(=O)NNc1ccccc1C(C)C 512a_100015525214_100020603696 [0,0,1,0,0,0|3,0,0]=4 884 B16R1.4440 CCOC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000188475 [0,0,1,0,0,0|3,0,0]=4 885 B16R1.4440 CCOC(=O)CNc1ccccc1C(C)C 34a_100000210643_100000188475 [0,0,1,0,0,0|3,0,0]=4 886 B16R1.4440 CCOC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000188475 [0,0,1,0,0,0|3,0,0]=4 887 B16R1.4440 CCOC(=O)COc1ccccc1C(C)C 34a_100000211617_100000188475 [0,0,1,0,0,0|2,0,0]=3 888 B16R1.4440 CCOC(=O)COc1ccccc1C(C)C 7a_100000211617_100000188475 [0,0,1,0,0,0|2,0,0]=3 889 B16R1.4440 CCOC(=O)COc1ccccc1C(C)O 34a_200011232679_100000188475 [0,0,1,0,0,0|3,0,0]=4 890 B16R1.4440 CCOC(=O)COc1ccccc1C(C)O 7a_200011232679_100000188475 [0,0,1,0,0,0|3,0,0]=4 891 B16R1.4440 CCOC(=O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000188475 [0,0,1,0,0,0|3,0,0]=4 892 B16R1.4440 CCOC(=O)COc1cccnc1C(C)C 34a_100012183336_100000188475 [0,0,1,0,0,0|3,0,0]=4 893 B16R1.4440 CCOC(=O)COc1cccnc1C(C)C 7a_100012183336_100000188475 [0,0,1,0,0,0|3,0,0]=4 894 B16R1.4440 CCOC(=O)CSc1ccccc1C(C)C 62a_100000188475_100000708600 [0,0,1,0,0,0|2,1,0]=4 895 B16R1.4440 CCOC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000188475 [0,0,1,0,0,0|2,1,0]=4 896 B16R1.4440 CNNC(=O)COc1ccccc1C(C)C 22a_100016993582_100000183894 [0,0,1,0,0,0|2,0,0]=3 897 B16R1.4440 C[C@@H](N)c1ccccc1OCC(=O)NCO 34a_100025703389_100000185155 [0,0,1,0,0,0|3,0,0]=4 898 B16R1.14339 CCC(CC)COc1ccccc1C(C)C 34a_100000211617_100011215472 [0,0,1,0,0,0|2,0,1]=4 899 B16R1.14339 CCC(CC)COc1ccccc1C(C)C 7a_100000211617_100011215472 [0,0,1,0,0,0|2,0,1]=4 900 B16R1.14339 COC(COc1ccccc1C(C)C)OC 34a_100000211617_100000211822 [0,0,1,0,0,0|2,0,1]=4 901 B16R1.14339 COC(COc1ccccc1C(C)C)OC 7a_100000211617_100000751394 [0,0,1,0,0,0|2,0,1]=4 902 B18R3.36582 c1ccc(c(c1)NCC2=NCCN2)C3CC3 34a_100011236190_100000737910 [0,0,0,1,0,0|1,0,0]=2 903 B18R3.36582 c1ccc(c(c1)NCc2ncc[nH]2)C3CC3 207a_100011236190_100000743867 [0,0,0,1,0,0|1,0,2]=4 904 B18R3.36582 c1ccc(c(c1)NCc2ncc[nH]2)C3CC3 34a_100011236190_100016991755 [0,0,0,1,0,0|1,0,2]=4 905 B18R3.36582 c1ccc(c(c1)NCc2nnn[nH]2)C3CC3 34a_100011236190_100000765167 [0,0,0,1,0,0|3,0,0]=4 906 B18R3.36582 c1ccc(c(c1)SCC2=NCCN2)C3CC3 62a_100000737910_100009819954 [0,0,0,1,0,0|0,1,0]=2 907 B18R3.36582 c1ccc(c(c1)SCC2=NCCN2)C3CC3 62a_100009819954_100000737910 [0,0,0,1,0,0|0,1,0]=2 908 B18R3.36582 c1ccc(c(c1)SCc2ncc[nH]2)C3CC3 62a_100009819954_100016991755 [0,0,0,1,0,0|0,1,2]=4 909 B18R3.36582 c1ccc(c(c1)SCc2ncc[nH]2)C3CC3 62a_100016991755_100009819954 [0,0,0,1,0,0|0,1,2]=4 910 B18R3.36582 c1ccc(c(c1)SCc2nnn[nH]2)C3CC3 62a_100000765167_100009819954 [0,0,0,1,0,0|2,1,0]=4 911 B18R3.36582 c1ccc(c(c1)SCc2nnn[nH]2)C3CC3 62a_100009819954_100000765167 [0,0,0,1,0,0|2,1,0]=4 912 B18R3.36582 c1cnc(c(c1)C2CC2)SCC3=NCCN3 62a_100000737910_100009851976 [0,0,0,1,0,0|1,1,0]=3 913 B18R3.36582 c1cnc(c(c1)C2CC2)SCC3=NCCN3 62a_200009850273_100000737910 [0,0,0,1,0,0|1,1,0]=3 914 B18R3.36582 c1ncc(c(n1)C2CC2)SCC3=NCCN3 62a_100000737910_200009889426 [0,0,0,1,0,0|2,1,0]=4 915 B18R3.36582 c1ncc(c(n1)C2CC2)SCC3=NCCN3 62a_200009889426_100000737910 [0,0,0,1,0,0|2,1,0]=4 916 B16R2.498 CC(C)c1ccccc1C=C2CCCC2 271570a_100010378317_100011218076 [0,0,0,0,1,0|2,0,1]=4 917 B16R2.498 CC(C)c1ccccc1CN2CCCC2 26a_100000188435_100000211617 [0,0,0,0,1,0|3,0,0]=4 918 B16R2.498 CC(C)c1ccccc1CN2CCCC2 270004a_100000188435_100011361515 [0,0,0,0,1,0|3,0,0]=4 919 B16R2.498 CC(C)c1ccccc1OC2CCCC2 34a_100000211617_100000179811 [0,0,0,0,1,0|2,0,1]=4 920 B16R2.498 CC(C)c1ccccc1OC2CCCC2 7a_100000211617_100000179811 [0,0,0,0,1,0|2,0,1]=4 921 B16R2.498 CC(C)c1ccccc1Sc2ncc[nH]2 62a_100000708600_100025796157 [0,0,0,0,1,0|0,1,2]=4 922 B16R2.498 CC(C)c1ccccc1Sc2ncc[nH]2 62a_100025796157_100000708600 [0,0,0,0,1,0|0,1,2]=4 923 B16R2.509 CC(C)c1[nH]ncc1SCC2=NCCN2 62a_100000690187_100000737910 [0,0,0,0,1,0|2,1,0]=4 924 B16R2.509 CC(C)c1[nH]ncc1SCC2=NCCN2 62a_100000737910_100000690187 [0,0,0,0,1,0|2,1,0]=4 925 B16R2.509 CC(C)n1ccnc1SCC2=NCCN2 62a_100000737910_100009820211 [0,0,0,0,1,0|2,1,0]=4 926 B16R2.509 CC(C)n1ccnc1SCC2=NCCN2 62a_100009820211_100000737910 [0,0,0,0,1,0|2,1,0]=4 927 B16R2.509 CC(C)n1cncc1SCC2=NCCN2 62a_100000737910_100009849687 [0,0,0,0,1,0|2,1,0]=4 928 B16R2.509 CC(C)n1cncc1SCC2=NCCN2 62a_100009849687_100000737910 [0,0,0,0,1,0|2,1,0]=4 929 B16R2.509 CC(C)n1nccc1SCC2=NCCN2 62a_100000737910_100010264481 [0,0,0,0,1,0|2,1,0]=4 930 B16R2.509 CC(C)n1nccc1SCC2=NCCN2 62a_100010264481_100000737910 [0,0,0,0,1,0|2,1,0]=4 931 B16R2.27531 CC(C)c1ccccc1NCC2CCC2 2230a_100000210643_100000763275 [0,0,0,0,1,0|2,0,1]=4 932 B16R2.27531 CC(C)c1ccccc1NCC2CCC2 34a_100000210643_100000763275 [0,0,0,0,1,0|2,0,1]=4 933 B16R2.27531 CC(C)c1ccccc1NCC2CCC2 7a_100000210643_100000763275 [0,0,0,0,1,0|2,0,1]=4 934 B16R2.27531 CC(C)c1ccccc1NCC2CCO2 2230a_100000210643_100000103362 [0,0,0,0,1,0|2,0,1]=4 935 B16R2.27531 CC(C)c1ccccc1NCC2CCO2 34a_100000210643_100000103362 [0,0,0,0,1,0|2,0,1]=4 936 B16R2.27531 CC(C)c1ccccc1NCC2CCO2 7a_100000210643_100000103362 [0,0,0,0,1,0|2,0,1]=4 937 B16R2.27531 CC(C)c1ccccc1NN=C2CCC2 4a_100020603696_100000241760 [0,0,0,0,1,0|3,0,0]=4 938 B16R2.27531 CC(C)c1ccccc1OCC2CCC2 34a_100000211617_100000763275 [0,0,0,0,1,0|1,0,1]=3 939 B16R2.27531 CC(C)c1ccccc1OCC2CCC2 7a_100000211617_100000763275 [0,0,0,0,1,0|1,0,1]=3 940 B16R2.27531 CC(C)c1ccccc1OCC2CCO2 34a_100000211617_100000103362 [0,0,0,0,1,0|1,0,1]=3 941 B16R2.27531 CC(C)c1ccccc1OCC2CCO2 7a_100000211617_100000103362 [0,0,0,0,1,0|1,0,1]=3 942 B16R2.27531 CC(C)c1ccccc1OCC2COC2 34a_100000211617_100010264016 [0,0,0,0,1,0|2,0,1]=4 943 B16R2.27531 CC(C)c1ccccc1OCC2COC2 7a_100000211617_100010264016 [0,0,0,0,1,0|2,0,1]=4 944 B16R2.27531 CC(C)c1ccccc1SCC2CCC2 62a_100000708600_100000763275 [0,0,0,0,1,0|1,1,1]=4 945 B16R2.27531 CC(C)c1ccccc1SCC2CCC2 62a_100000763275_100000708600 [0,0,0,0,1,0|1,1,1]=4 946 B16R2.27531 CC(C)c1ccccc1SCC2CCO2 62a_100000103362_100000708600 [0,0,0,0,1,0|1,1,1]=4 947 B16R2.27531 CC(C)c1ccccc1SCC2CCO2 62a_100000708600_100000103362 [0,0,0,0,1,0|1,1,1]=4 948 B16R2.27531 CC(C)c1ncccc1OCC2CCC2 34a_100012183336_100000763275 [0,0,0,0,1,0|2,0,1]=4 949 B16R2.27531 CC(C)c1ncccc1OCC2CCC2 7a_100012183336_100000763275 [0,0,0,0,1,0|2,0,1]=4 950 B16R2.27531 CC(C)c1ncccc1OCC2CCO2 34a_100012183336_100000103362 [0,0,0,0,1,0|2,0,1]=4 951 B16R2.27531 CC(C)c1ncccc1OCC2CCO2 7a_100012183336_100000103362 [0,0,0,0,1,0|2,0,1]=4 952 B16R2.27531 CC(O)c1ccccc1OCC2CCC2 34a_200011232679_100000763275 [0,0,0,0,1,0|2,0,1]=4 953 B16R2.27531 CC(O)c1ccccc1OCC2CCC2 7a_200011232679_100000763275 [0,0,0,0,1,0|2,0,1]=4 954 B16R2.27531 CC(O)c1ccccc1OCC2CCO2 34a_200011232679_100000103362 [0,0,0,0,1,0|2,0,1]=4 955 B16R2.27531 CC(O)c1ccccc1OCC2CCO2 7a_200011232679_100000103362 [0,0,0,0,1,0|2,0,1]=4 956 B16R2.27531 C[C@@H](N)c1ccccc1OCC2CCC2 34a_100025703389_100000763275 [0,0,0,0,1,0|2,0,1]=4 957 B16R2.27531 C[C@@H](N)c1ccccc1OCC2CCO2 34a_100025703389_100000103362 [0,0,0,0,1,0|2,0,1]=4 958 B18R2.7138 CC(C)c1ccccc1OCC2CCCCC2 34a_100000211617_100000211423 [0,0,0,0,0,1|2,0,1]=4 959 B18R2.7138 CC(C)c1ccccc1OCC2CCCCC2 7a_100000211617_100000211423 [0,0,0,0,0,1|2,0,1]=4 960 B18R2.7138 CC(C)c1ccccc1OCC2CCCCO2 34a_100000211617_100000211543 [0,0,0,0,0,1|2,0,1]=4 961 B18R2.7138 CC(C)c1ccccc1OCC2CCCCO2 7a_100000211617_100000211543 [0,0,0,0,0,1|2,0,1]=4 962 B18R2.7138 CC(C)c1ccccc1OCC2CCCOC2 34a_100000211617_100000741521 [0,0,0,0,0,1|2,0,1]=4 963 B18R2.7138 CC(C)c1ccccc1OCC2CCCOC2 7a_100000211617_100000741521 [0,0,0,0,0,1|2,0,1]=4 964 B18R2.7138 CC(C)c1ccccc1OCC2CCOCC2 34a_100000211617_100000754603 [0,0,0,0,0,1|2,0,1]=4 965 B18R2.7138 CC(C)c1ccccc1OCC2CCOCC2 7a_100000211617_100000754603 [0,0,0,0,0,1|2,0,1]=4 966 B18R2.7138 CC(C)c1ccccc1OCc2ccccn2 34a_100000211617_100000721315 [0,0,0,0,0,1|1,0,2]=4 967 B18R2.7138 CC(C)c1ccccc1OCc2ccccn2 7a_100000211617_100000721315 [0,0,0,0,0,1|1,0,2]=4 968 B18R2.7138 CC(C)c1ccccc1OCc2cccnc2 34a_100000211617_100000733263 [0,0,0,0,0,1|1,0,2]=4 969 B18R2.7138 CC(C)c1ccccc1OCc2cccnc2 7a_100000211617_100000741622 [0,0,0,0,0,1|1,0,2]=4 970 B18R2.7138 CC(C)c1ccccc1OCc2cccnn2 34a_100000211617_100016990269 [0,0,0,0,0,1|1,0,2]=4 971 B18R2.7138 CC(C)c1ccccc1OCc2cccnn2 7a_100000211617_100016990269 [0,0,0,0,0,1|1,0,2]=4 972 B18R2.7138 CC(C)c1ccccc1OCc2cnccn2 34a_100000211617_100016995436 [0,0,0,0,0,1|0,0,3]=4 973 B18R2.7138 CC(C)c1ccccc1OCc2cnccn2 7a_100000211617_100016995436 [0,0,0,0,0,1|0,0,3]=4 974 B18R2.7138 CC(C)c1ccccc1OCc2cncnc2 34a_100000211617_100015196519 [0,0,0,0,0,1|2,0,1]=4 975 B18R2.7138 CC(C)c1ccccc1OCc2cncnc2 7a_100000211617_100015196519 [0,0,0,0,0,1|2,0,1]=4 976 B18R2.7138 CC(C)c1ccccc1OCc2ncccn2 34a_100000211617_100000703007 [0,0,0,0,0,1|0,0,3]=4 977 B18R2.7138 CC(C)c1ccccc1OCc2ncccn2 7a_100000211617_100000703007 [0,0,0,0,0,1|0,0,3]=4 978 B18R2.7145 CC(C)c1ccccc1CNCc2ncc[nH]2 207a_100000754540_100011361515 [0,0,0,0,0,1|1,0,2]=4 979 B18R2.7145 CC(C)c1ccccc1CNCc2ncc[nH]2 270004a_100000754540_100011361515 [0,0,0,0,0,1|1,0,2]=4 980 B18R2.7145 CC(C)c1ccccc1NCCc2nnn[nH]2 7a_100000210643_100000031946 [0,0,0,0,0,1|3,0,0]=4 981 B18R2.7145 CC(C)c1ccccc1OCCC2CCCC2 34a_100000211617_100000760354 [0,0,0,0,0,1|2,0,1]=4 982 B18R2.7145 CC(C)c1ccccc1OCCC2CCCC2 7a_100000211617_100000760354 [0,0,0,0,0,1|2,0,1]=4 983 B18R2.7145 CC(C)c1ccccc1OCCC2OCCO2 34a_100000211617_100000740749 [0,0,0,0,0,1|2,0,1]=4 984 B18R2.7145 CC(C)c1ccccc1OCCC2OCCO2 7a_100000211617_100000740749 [0,0,0,0,0,1|2,0,1]=4 985 B18R2.7145 CC(C)c1ccccc1OCCN2CCCC2 7a_100000211617_100000004467 [0,0,0,0,0,1|3,0,0]=4 986 B18R2.7145 CC(C)c1ccccc1OCCc2c[nH]cn2 7a_100000211617_100020628418 [0,0,0,0,0,1|2,0,1]=4 987 B18R2.7145 CC(C)c1ccccc1OCCc2nnn[nH]2 7a_100000211617_100000031946 [0,0,0,0,0,1|2,0,0]=3 988 B18R2.7145 CC(C)c1ccccc1SCCc2nnn[nH]2 62a_100000031946_100000708600 [0,0,0,0,0,1|2,1,0]=4 989 B18R2.7145 CC(C)c1ccccc1SCCc2nnn[nH]2 62a_100000708600_100000031946 [0,0,0,0,0,1|2,1,0]=4 990 B18R2.7145 CC(C)c1cccnc1COCC2=NCCN2 34a_200009878718_100000737910 [0,0,0,0,0,1|1,0,0]=2 991 B18R2.7145 CC(C)c1cccnc1COC[C@H]2CCCN2 34a_100000745186_200134614246 [0,0,0,0,0,1|2,0,1]=4 992 B18R2.7145 CC(C)c1cccnc1COCc2ncc[nH]2 34a_200009878718_100016991755 [0,0,0,0,0,1|1,0,2]=4 993 B18R2.7145 CC(C)c1cccnc1COCc2nnn[nH]2 34a_200009878718_100000765167 [0,0,0,0,0,1|3,0,0]=4 994 B18R2.7145 CC(C)c1cccnc1CSCC2=NCCN2 62a_100000737910_200134614246 [0,0,0,0,0,1|1,1,0]=3 995 B18R2.7145 CC(C)c1cccnc1CSCC2=NCCN2 62a_200134614246_100000737910 [0,0,0,0,0,1|1,1,0]=3 996 B18R2.7145 CC(C)c1ncccc1OCCc2nnn[nH]2 7a_100012183336_100000031946 [0,0,0,0,0,1|3,0,0]=4 997 B18R2.7145 CC(O)c1ccccc1OCCc2nnn[nH]2 7a_200011232679_100000031946 [0,0,0,0,0,1|3,0,0]=4 998 B18R2.7145 FC(F)c1ncccc1COCC2=NCCN2 34a_100010834607_100000737910 [0,0,0,0,0,1|3,0,0]=4 999 B18R2.7145 FC(F)c1ncccc1COCC2=NCCN2 7a_100010834607_100000737910 [0,0,0,0,0,1|3,0,0]=4 1000 B18R2.7145 O=[N+]([O-])c1ccccc1COCC2=NCCN2 7a_100011218404_100000737910 [0,0,0,0,0,1|3,0,0]=4 1001 B18R2.9915 CC(=O)Cc1ccccc1SCC2=NCCN2 62a_100000737910_100011350739 [0,0,0,0,0,1|1,1,1]=4 1002 B18R2.9915 CC(=O)Cc1ccccc1SCC2=NCCN2 62a_100011350739_100000737910 [0,0,0,0,0,1|1,1,1]=4 1003 B18R2.9915 CC(=O)Nc1ccccc1NCC2=NCCN2 34a_100011193560_100000737910 [0,0,0,0,0,1|2,0,1]=4 1004 B18R2.9915 CC(=O)Nc1ccccc1OCC2=NCCN2 34a_100000185124_100000737910 [0,0,0,0,0,1|1,0,1]=3 1005 B18R2.9915 CC(=O)Nc1ccccc1OCC2=NCCN2 7a_100000185124_100000737910 [0,0,0,0,0,1|1,0,1]=3 1006 B18R2.9915 CC(=O)Nc1ccccc1SCC2=NCCN2 62a_100000737910_100000153524 [0,0,0,0,0,1|1,1,1]=4 1007 B18R2.9915 CC(=O)Nc1ncccc1OCC2=NCCN2 34a_200000022013_100000737910 [0,0,0,0,0,1|2,0,1]=4 1008 B18R2.9915 CC(=O)Nc1ncccc1OCC2=NCCN2 7a_200000022013_100000737910 [0,0,0,0,0,1|2,0,1]=4 1009 B18R2.9915 CC(=O)Oc1ccccc1SCC2=NCCN2 62a_100000051690_100000737910 [0,0,0,0,0,1|1,1,1]=4 1010 B18R2.9915 CC(=O)Oc1ccccc1SCC2=NCCN2 62a_100000737910_100000051690 [0,0,0,0,0,1|1,1,1]=4 1011 B18R2.9915 CC(C)Nc1ccccc1OCC2CCCO2 34a_200011193920_100000210206 [0,0,0,0,0,1|2,0,1]=4 1012 B18R2.9915 CC(C)Nc1ccccc1SCC2=NCCN2 62a_100000219599_100000737910 [0,0,0,0,0,1|0,1,0]=2 1013 B18R2.9915 CC(C)Nc1ccccc1SCC2=NCCN2 62a_100000737910_100000219599 [0,0,0,0,0,1|0,1,0]=2 1014 B18R2.9915 CC(C)Nc1ccccc1SCc2ncc[nH]2 62a_100000219599_100016991755 [0,0,0,0,0,1|0,1,2]=4 1015 B18R2.9915 CC(C)Nc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000219599 [0,0,0,0,0,1|0,1,2]=4 1016 B18R2.9915 CC(C)Nc1ccccc1SCc2nnn[nH]2 62a_100000219599_100000765167 [0,0,0,0,0,1|2,1,0]=4 1017 B18R2.9915 CC(C)Nc1ccccc1SCc2nnn[nH]2 62a_100000765167_100000219599 [0,0,0,0,0,1|2,1,0]=4 1018 B18R2.9915 CC(C)Oc1ccccc1NCC2=NCCN2 34a_100000739276_100000737910 [0,0,0,0,0,1|1,0,0]=2 1019 B18R2.9915 CC(C)Oc1ccccc1NCc2ncc[nH]2 207a_100000739276_100000743867 [0,0,0,0,0,1|1,0,2]=4 1020 B18R2.9915 CC(C)Oc1ccccc1NCc2ncc[nH]2 2230a_100000739276_100016991755 [0,0,0,0,0,1|1,0,2]=4 1021 B18R2.9915 CC(C)Oc1ccccc1NCc2ncc[nH]2 34a_100000739276_100016991755 [0,0,0,0,0,1|1,0,2]=4 1022 B18R2.9915 CC(C)Oc1ccccc1NCc2nnn[nH]2 34a_100000739276_100000765167 [0,0,0,0,0,1|3,0,0]=4 1023 B18R2.9915 CC(C)Oc1ccccc1OCC2=NCCN2 34a_100011218612_100000737910 [0,0,0,0,0,1|0,0,0]=1 1024 B18R2.9915 CC(C)Oc1ccccc1OCC2=NCCN2 7a_100011218612_100000737910 [0,0,0,0,0,1|0,0,0]=1 1025 B18R2.9915 CC(C)Oc1ccccc1OCC2CCCC2 34a_100011218612_100000740388 [0,0,0,0,0,1|2,0,1]=4 1026 B18R2.9915 CC(C)Oc1ccccc1OCC2CCCC2 7a_100011218612_100000740388 [0,0,0,0,0,1|2,0,1]=4 1027 B18R2.9915 CC(C)Oc1ccccc1OCC2CCCO2 7a_100011218612_100000203698 [0,0,0,0,0,1|2,0,1]=4 1028 B18R2.9915 CC(C)Oc1ccccc1OCC2OCCO2 34a_100011218612_100000755774 [0,0,0,0,0,1|2,0,1]=4 1029 B18R2.9915 CC(C)Oc1ccccc1OCC2OCCO2 7a_100011218612_100000755774 [0,0,0,0,0,1|2,0,1]=4 1030 B18R2.9915 CC(C)Oc1ccccc1OCc2c[nH]cn2 34a_100011218612_100000707719 [0,0,0,0,0,1|2,0,1]=4 1031 B18R2.9915 CC(C)Oc1ccccc1OCc2ccn[nH]2 34a_100011218612_100000728653 [0,0,0,0,0,1|2,0,1]=4 1032 B18R2.9915 CC(C)Oc1ccccc1OCc2ccn[nH]2 7a_100011218612_100000728653 [0,0,0,0,0,1|2,0,1]=4 1033 B18R2.9915 CC(C)Oc1ccccc1OCc2ccon2 34a_100011218612_100000234950 [0,0,0,0,0,1|2,0,1]=4 1034 B18R2.9915 CC(C)Oc1ccccc1OCc2ccon2 7a_100011218612_100000234950 [0,0,0,0,0,1|2,0,1]=4 1035 B18R2.9915 CC(C)Oc1ccccc1OCc2cscn2 34a_100011218612_100000205941 [0,0,0,0,0,1|2,0,1]=4 1036 B18R2.9915 CC(C)Oc1ccccc1OCc2cscn2 7a_100011218612_100000205941 [0,0,0,0,0,1|2,0,1]=4 1037 B18R2.9915 CC(C)Oc1ccccc1OCc2ncc[nH]2 34a_100011218612_100016991755 [0,0,0,0,0,1|0,0,2]=3 1038 B18R2.9915 CC(C)Oc1ccccc1OCc2ncc[nH]2 7a_100011218612_100000753453 [0,0,0,0,0,1|0,0,2]=3 1039 B18R2.9915 CC(C)Oc1ccccc1OCc2ncco2 34a_100011218612_103436540062 [0,0,0,0,0,1|1,0,2]=4 1040 B18R2.9915 CC(C)Oc1ccccc1OCc2ncco2 7a_100011218612_103436540062 [0,0,0,0,0,1|1,0,2]=4 1041 B18R2.9915 CC(C)Oc1ccccc1OCc2nccs2 34a_100011218612_100015184050 [0,0,0,0,0,1|1,0,2]=4 1042 B18R2.9915 CC(C)Oc1ccccc1OCc2nccs2 7a_100011218612_100015184050 [0,0,0,0,0,1|1,0,2]=4 1043 B18R2.9915 CC(C)Oc1ccccc1OCc2ncon2 34a_100011218612_100000233494 [0,0,0,0,0,1|1,0,2]=4 1044 B18R2.9915 CC(C)Oc1ccccc1OCc2nnn[nH]2 34a_100011218612_100000765167 [0,0,0,0,0,1|2,0,0]=3 1045 B18R2.9915 CC(C)Oc1ccccc1OCc2nnn[nH]2 7a_100011218612_100000765167 [0,0,0,0,0,1|2,0,0]=3 1046 B18R2.9915 CC(C)Oc1ccccc1SCC2=NCCN2 62a_100000173919_100000737910 [0,0,0,0,0,1|0,1,0]=2 1047 B18R2.9915 CC(C)Oc1ccccc1SCC2=NCCN2 62a_100000737910_100000173919 [0,0,0,0,0,1|0,1,0]=2 1048 B18R2.9915 CC(C)Oc1ccccc1SCc2ncc[nH]2 62a_100000173919_100016991755 [0,0,0,0,0,1|0,1,2]=4 1049 B18R2.9915 CC(C)Oc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000173919 [0,0,0,0,0,1|0,1,2]=4 1050 B18R2.9915 CC(C)Oc1ccccc1SCc2nnn[nH]2 62a_100000173919_100000765167 [0,0,0,0,0,1|2,1,0]=4 1051 B18R2.9915 CC(C)Oc1ccccc1SCc2nnn[nH]2 62a_100000765167_100000173919 [0,0,0,0,0,1|2,1,0]=4 1052 B18R2.9915 CC(C)Oc1ncccc1SCC2=NCCN2 62a_100000737910_200011465186 [0,0,0,0,0,1|1,1,0]=3 1053 B18R2.9915 CC(C)Oc1ncccc1SCC2=NCCN2 62a_200011465186_100000737910 [0,0,0,0,0,1|1,1,0]=3 1054 B18R2.9915 CC(C)Sc1ccccc1NCC2=NCCN2 34a_100000688217_100000737910 [0,0,0,0,0,1|1,0,0]=2 1055 B18R2.9915 CC(C)Sc1ccccc1NCc2ncc[nH]2 207a_100000688217_100000743867 [0,0,0,0,0,1|1,0,2]=4 1056 B18R2.9915 CC(C)Sc1ccccc1NCc2ncc[nH]2 2230a_100000688217_100016991755 [0,0,0,0,0,1|1,0,2]=4 1057 B18R2.9915 CC(C)Sc1ccccc1NCc2ncc[nH]2 34a_100000688217_100016991755 [0,0,0,0,0,1|1,0,2]=4 1058 B18R2.9915 CC(C)Sc1ccccc1NCc2nnn[nH]2 34a_100000688217_100000765167 [0,0,0,0,0,1|3,0,0]=4 1059 B18R2.9915 CN(C)Cc1ccccc1SCC2=NCCN2 62a_100000174758_100000737910 [0,0,0,0,0,1|1,1,0]=3 1060 B18R2.9915 CN(C)Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000174758 [0,0,0,0,0,1|1,1,0]=3 1061 B18R2.9915 FC(F)Oc1ccccc1NCC2=NCCN2 34a_100000182466_100000737910 [0,0,0,0,0,1|3,0,0]=4 1062 B18R2.9915 FC(F)Oc1ccccc1OCC2=NCCN2 34a_100000752575_100000737910 [0,0,0,0,0,1|2,0,0]=3 1063 B18R2.9915 FC(F)Oc1ccccc1OCC2=NCCN2 7a_100000752575_100000737910 [0,0,0,0,0,1|2,0,0]=3 1064 B18R2.9915 FC(F)Oc1ccccc1SCC2=NCCN2 62a_100000737910_100011263859 [0,0,0,0,0,1|2,1,0]=4 1065 B18R2.9915 FC(F)Oc1ccccc1SCC2=NCCN2 62a_100011263859_100000737910 [0,0,0,0,0,1|2,1,0]=4 1066 B18R2.9915 NC(=S)Nc1ccccc1OCC2=NCCN2 7a_200000011649_100000737910 [0,0,0,0,0,1|2,0,1]=4 1067 B15R1.528 CCC/C=C/C=C/COCC1=NCCN1 34a_100016294078_100000737910 [1,0,1,0,0,0|0,0,2]=4 1068 B15R1.241 CC(C)c1ccccc1OCCCCF 34a_100000211617_100000729493 [1,0,1,0,0,0|1,0,1]=4 1069 B15R1.241 CC(C)c1ccccc1OCCCCF 7a_100000211617_100000729493 [1,0,1,0,0,0|1,0,1]=4 1070 B15R1.241 CC(C)c1ccccc1OCCCCO 34a_100000211617_100011216708 [1,0,1,0,0,0|1,0,1]=4 1071 B15R1.241 CC(C)c1ccccc1OCCCCO 7a_100000211617_100000210776 [1,0,1,0,0,0|1,0,1]=4 1072 B15R1.241 CC(C)c1ccccc1OCCNCF 34a_100000754683_100015361967 [1,0,1,0,0,0|1,0,1]=4 1073 B15R1.241 CC/C=C\CNc1ccccc1C(C)C 2230a_100000210643_100103147603 [1,0,1,0,0,0|2,0,0]=4 1074 B15R1.241 CC/C=C\CNc1ccccc1C(C)C 34a_100000210643_100103147603 [1,0,1,0,0,0|2,0,0]=4 1075 B15R1.241 CC/C=C\CNc1ccccc1C(C)C 7a_100000210643_100103147603 [1,0,1,0,0,0|2,0,0]=4 1076 B15R1.241 CC/C=C\COc1ccccc1C(C)C 34a_100000211617_100103147603 [1,0,1,0,0,0|1,0,0]=3 1077 B15R1.241 CC/C=C\COc1ccccc1C(C)C 7a_100000211617_100103147603 [1,0,1,0,0,0|1,0,0]=3 1078 B15R1.241 CC/C=C\COc1ccccc1C(C)O 34a_200011232679_100103147603 [1,0,1,0,0,0|2,0,0]=4 1079 B15R1.241 CC/C=C\COc1ccccc1C(C)O 7a_200011232679_100103147603 [1,0,1,0,0,0|2,0,0]=4 1080 B15R1.241 CC/C=C\COc1ccccc1[C@@H](C)N 34a_100025703389_100103147603 [1,0,1,0,0,0|2,0,0]=4 1081 B15R1.241 CC/C=C\COc1cccnc1C(C)C 34a_100012183336_100103147603 [1,0,1,0,0,0|2,0,0]=4 1082 B15R1.241 CC/C=C\COc1cccnc1C(C)C 7a_100012183336_100103147603 [1,0,1,0,0,0|2,0,0]=4 1083 B15R1.241 CC/C=C\CSc1ccccc1C(C)C 62a_100000708600_100103147603 [1,0,1,0,0,0|1,1,0]=4 1084 B15R1.241 CC/C=C\CSc1ccccc1C(C)C 62a_100103147603_100000708600 [1,0,1,0,0,0|1,1,0]=4 1085 B15R1.241 CCC#CCOc1ccccc1C(C)C 34a_100000211617_100009813939 [1,0,1,0,0,0|1,0,1]=4 1086 B15R1.241 CCC#CCOc1ccccc1C(C)C 7a_100000211617_100009813939 [1,0,1,0,0,0|1,0,1]=4 1087 B15R1.241 CCCCCOc1ccccc1C(C)C 34a_100000211617_100000718602 [1,0,1,0,0,0|1,0,1]=4 1088 B15R1.241 CCCCCOc1ccccc1C(C)C 7a_100000211617_100000210326 [1,0,1,0,0,0|1,0,1]=4 1089 B15R1.241 CCNCCOc1ccccc1C(C)C 2230a_100000754683_100000210202 [1,0,1,0,0,0|0,0,1]=3 1090 B15R1.241 CCNCCOc1ccccc1C(C)C 34a_100000754683_100000210202 [1,0,1,0,0,0|0,0,1]=3 1091 B15R1.241 CCOCCOc1ccccc1C(C)C 34a_100000211617_100000210147 [1,0,1,0,0,0|1,0,1]=4 1092 B15R1.241 CCOCCOc1ccccc1C(C)C 7a_100000211617_100011215890 [1,0,1,0,0,0|1,0,1]=4 1093 B15R1.241 CCSCCOc1ccccc1C(C)C 34a_100000211617_100000757381 [1,0,1,0,0,0|1,0,1]=4 1094 B15R1.241 CCSCCOc1ccccc1C(C)C 7a_100000211617_100000757381 [1,0,1,0,0,0|1,0,1]=4 1095 B15R1.768 CCCC(=O)COc1ccccc1CC 1458a_100000182566_100000210303 [1,0,1,0,0,0|2,0,0]=4 1096 B15R1.768 CCCC(=O)COc1ccccc1CC 7a_100000210936_100000747444 [1,0,1,0,0,0|2,0,0]=4 1097 B15R1.768 CCNC(=O)CNc1ccccc1CC 2230a_100000212081_100000183381 [1,0,1,0,0,0|2,0,0]=4 1098 B15R1.768 CCNC(=O)CNc1ccccc1CC 34a_100000212081_100000183381 [1,0,1,0,0,0|2,0,0]=4 1099 B15R1.768 CCNC(=O)CNc1ccccc1CC 7a_100000212081_100000183381 [1,0,1,0,0,0|2,0,0]=4 1100 B15R1.768 CCNC(=O)COc1ccccc1CC 11a_100015525214_100000182566 [1,0,1,0,0,0|1,0,0]=3 1101 B15R1.768 CCNC(=O)COc1ccccc1CC 240690a_100015525214_100000182566 [1,0,1,0,0,0|1,0,0]=3 1102 B15R1.768 CCNC(=O)COc1ccccc1CC 34a_100000210936_100000183381 [1,0,1,0,0,0|1,0,0]=3 1103 B15R1.768 CCNC(=O)COc1ccccc1CC 527a_100015525214_100000182566 [1,0,1,0,0,0|1,0,0]=3 1104 B15R1.768 CCNC(=O)COc1ccccc1CC 7a_100000210936_100000183381 [1,0,1,0,0,0|1,0,0]=3 1105 B15R1.768 CCNC(=O)COc1ccccc1CN 34a_100000185550_100000183381 [1,0,1,0,0,0|2,0,0]=4 1106 B15R1.768 CCNC(=O)COc1ccccc1CO 240690a_100015525214_200011894254 [1,0,1,0,0,0|2,0,0]=4 1107 B15R1.768 CCNC(=O)COc1ccccc1CO 34a_100011216872_100000183381 [1,0,1,0,0,0|2,0,0]=4 1108 B15R1.768 CCNC(=O)COc1ccccc1NC 34a_100000033821_100000183381 [1,0,1,0,0,0|2,0,0]=4 1109 B15R1.768 CCNC(=O)COc1ccccc1OC 11a_100015525214_100000182946 [1,0,1,0,0,0|2,0,0]=4 1110 B15R1.768 CCNC(=O)COc1ccccc1OC 240690a_100015525214_100000182946 [1,0,1,0,0,0|2,0,0]=4 1111 B15R1.768 CCNC(=O)COc1ccccc1OC 34a_100000210385_100000183381 [1,0,1,0,0,0|2,0,0]=4 1112 B15R1.768 CCNC(=O)COc1ccccc1OC 527a_100015525214_100000182946 [1,0,1,0,0,0|2,0,0]=4 1113 B15R1.768 CCNC(=O)COc1ccccc1SC 34a_100011216402_100000183381 [1,0,1,0,0,0|2,0,0]=4 1114 B15R1.768 CCNC(=O)CSc1ccccc1CC 62a_100000183381_100011215823 [1,0,1,0,0,0|1,1,0]=4 1115 B15R1.768 CCNC(=O)CSc1ccccc1CC 62a_100011215823_100000183381 [1,0,1,0,0,0|1,1,0]=4 1116 B15R1.768 CCOC(=O)COc1ccccc1CC 34a_100000210936_100000188475 [1,0,1,0,0,0|2,0,0]=4 1117 B15R1.768 CCOC(=O)COc1ccccc1CC 7a_100000210936_100000188475 [1,0,1,0,0,0|2,0,0]=4 1118 B15R1.768 CCc1ccccc1OCC(=O)NCO 34a_100000210936_100000185155 [1,0,1,0,0,0|2,0,0]=4 1119 B15R1.768 CCc1ccccc1OCC(=O)NCO 7a_100000210936_100000185155 [1,0,1,0,0,0|2,0,0]=4 1120 B15R1.768 CCc1ccccc1OCC(=O)NNC 22a_100016993582_100000182566 [1,0,1,0,0,0|2,0,0]=4 1121 B15R1.1108 CC(C)c1ccccc1OCC(=O)CF 1458a_100000183894_100015361967 [1,0,1,0,0,0|2,0,0]=4 1122 B15R1.1108 CCC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000747405 [1,0,1,0,0,0|2,0,0]=4 1123 B15R1.1108 CCC(=O)COc1ccccc1C(C)C 1458a_100000183894_100000210202 [1,0,1,0,0,0|1,0,0]=3 1124 B15R1.1108 CCC(=O)COc1ccccc1C(C)C 7a_100000211617_100000747405 [1,0,1,0,0,0|1,0,0]=3 1125 B15R1.1108 CCC(=O)COc1ccccc1C(C)O 7a_200011232679_100000747405 [1,0,1,0,0,0|2,0,0]=4 1126 B15R1.1108 CCC(=O)COc1cccnc1C(C)C 7a_100012183336_100000747405 [1,0,1,0,0,0|2,0,0]=4 1127 B15R1.1108 CCC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000747405 [1,0,1,0,0,0|1,1,0]=4 1128 B15R1.1108 CCC(=O)CSc1ccccc1C(C)C 62a_100000747405_100000708600 [1,0,1,0,0,0|1,1,0]=4 1129 B15R1.1108 CCC(C)COc1ccccc1C(C)C 34a_100000211617_100000748023 [1,0,1,0,0,0|1,0,1]=4 1130 B15R1.1108 CCC(C)COc1ccccc1C(C)C 7a_100000211617_100000748023 [1,0,1,0,0,0|1,0,1]=4 1131 B15R1.1108 CCC(O)COc1ccccc1C(C)C 34a_100000211617_100011218378 [1,0,1,0,0,0|1,0,1]=4 1132 B15R1.1108 CCC(O)COc1ccccc1C(C)C 7a_100000211617_100011218378 [1,0,1,0,0,0|1,0,1]=4 1133 B15R1.1108 CC[C@H](C)COc1ccccc1C(C)C 34a_100000211617_100009816398 [1,0,1,0,0,0|1,0,1]=4 1134 B15R1.1108 CC[C@H](C)COc1ccccc1C(C)C 7a_100000211617_100009816398 [1,0,1,0,0,0|1,0,1]=4 1135 B15R1.1108 CNC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000183359 [1,0,1,0,0,0|2,0,0]=4 1136 B15R1.1108 CNC(=O)CNc1ccccc1C(C)C 34a_100000210643_100000183359 [1,0,1,0,0,0|2,0,0]=4 1137 B15R1.1108 CNC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000183359 [1,0,1,0,0,0|2,0,0]=4 1138 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 11a_106832991635_100000183894 [1,0,1,0,0,0|1,0,0]=3 1139 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 1626a_100102657272_100000183894 [1,0,1,0,0,0|1,0,0]=3 1140 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 240690a_100102657272_100000183894 [1,0,1,0,0,0|1,0,0]=3 1141 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 34a_100000211617_100000183359 [1,0,1,0,0,0|1,0,0]=3 1142 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 527a_100102657272_100000183894 [1,0,1,0,0,0|1,0,0]=3 1143 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 7a_100000211617_100000183359 [1,0,1,0,0,0|1,0,0]=3 1144 B15R1.1108 CNC(=O)COc1ccccc1C(C)O 34a_200011232679_100000183359 [1,0,1,0,0,0|2,0,0]=4 1145 B15R1.1108 CNC(=O)COc1ccccc1C(C)O 7a_200011232679_100000183359 [1,0,1,0,0,0|2,0,0]=4 1146 B15R1.1108 CNC(=O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000183359 [1,0,1,0,0,0|2,0,0]=4 1147 B15R1.1108 CNC(=O)COc1cccnc1C(C)C 34a_100012183336_100000183359 [1,0,1,0,0,0|2,0,0]=4 1148 B15R1.1108 CNC(=O)COc1cccnc1C(C)C 7a_100012183336_100000183359 [1,0,1,0,0,0|2,0,0]=4 1149 B15R1.1108 CNC(=O)CSc1ccccc1C(C)C 62a_100000183359_100000708600 [1,0,1,0,0,0|1,1,0]=4 1150 B15R1.1108 CNC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000183359 [1,0,1,0,0,0|1,1,0]=4 1151 B15R1.1108 COC(=O)COc1ccccc1C(C)C 34a_100000211617_100000747449 [1,0,1,0,0,0|2,0,0]=4 1152 B15R1.1108 COC(=O)COc1ccccc1C(C)C 7a_100000211617_100000747449 [1,0,1,0,0,0|2,0,0]=4 1153 B15R2.562 Brc1ccccc1NCC2=NCCN2 34a_100000210017_100000737910 [2,0,0,0,0,0|2,0,0]=4 1154 B15R2.562 Brc1ccccc1OCC2=NCCN2 34a_100000181306_100000737910 [2,0,0,0,0,0|1,0,0]=3 1155 B15R2.562 Brc1ccccc1OCC2=NCCN2 7a_100000181306_100000737910 [2,0,0,0,0,0|1,0,0]=3 1156 B15R2.562 Brc1ccccc1SCC2=NCCN2 62a_100000695589_100000737910 [2,0,0,0,0,0|1,1,0]=4 1157 B15R2.562 Brc1ccccc1SCC2=NCCN2 62a_100000737910_100000695589 [2,0,0,0,0,0|1,1,0]=4 1158 B15R2.562 Brc1cnccc1OCC2=NCCN2 34a_100011996408_100000737910 [2,0,0,0,0,0|2,0,0]=4 1159 B15R2.562 Brc1ncccc1OCC2=NCCN2 34a_100000744436_100000737910 [2,0,0,0,0,0|2,0,0]=4 1160 B15R2.562 Brc1ncccc1OCC2=NCCN2 7a_100000744436_100000737910 [2,0,0,0,0,0|2,0,0]=4 1161 B15R2.562 C[n+]1ccccc1SCC2=NCCN2 62a_100000737910_100000212160 [2,0,0,0,0,0|1,1,0]=4 1162 B15R2.562 Cc1ccccc1NCC2=NCCN2 34a_100015192222_100000737910 [2,0,0,0,0,0|1,0,0]=3 1163 B15R2.562 Cc1ccccc1OCC2=NCCN2 34a_100000210338_100000737910 [2,0,0,0,0,0|0,0,0]=2 1164 B15R2.562 Cc1ccccc1OCC2=NCCN2 7a_100000210338_100000737910 [2,0,0,0,0,0|0,0,0]=2 1165 B15R2.562 Cc1ccccc1OCc2ncc[nH]2 34a_100000210338_100016991755 [2,0,0,0,0,0|0,0,2]=4 1166 B15R2.562 Cc1ccccc1OCc2ncc[nH]2 7a_100000210338_100000753453 [2,0,0,0,0,0|0,0,2]=4 1167 B15R2.562 Cc1ccccc1OCc2nnn[nH]2 34a_100000210338_100000765167 [2,0,0,0,0,0|2,0,0]=4 1168 B15R2.562 Cc1ccccc1OCc2nnn[nH]2 7a_100000210338_100000765167 [2,0,0,0,0,0|2,0,0]=4 1169 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000210755_100000737910 [2,0,0,0,0,0|0,1,0]=3 1170 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000210755 [2,0,0,0,0,0|0,1,0]=3 1171 B15R2.562 Cc1cccnc1SCC2=NCCN2 62a_100000737910_100000751373 [2,0,0,0,0,0|1,1,0]=4 1172 B15R2.562 Cc1cccnc1SCC2=NCCN2 62a_100000751373_100000737910 [2,0,0,0,0,0|1,1,0]=4 1173 B15R2.562 Cc1ccncc1OCC2=NCCN2 34a_100011997053_100000737910 [2,0,0,0,0,0|1,0,0]=3 1174 B15R2.562 Cc1ccncc1OCC2=NCCN2 7a_100011997053_100000737910 [2,0,0,0,0,0|1,0,0]=3 1175 B15R2.562 Cc1ccncc1SCC2=NCCN2 62a_100000737910_100000761580 [2,0,0,0,0,0|1,1,0]=4 1176 B15R2.562 Cc1ccncc1SCC2=NCCN2 62a_100000761580_100000737910 [2,0,0,0,0,0|1,1,0]=4 1177 B15R2.562 Cc1cnccc1OCC2=NCCN2 34a_100000694293_100000737910 [2,0,0,0,0,0|1,0,0]=3 1178 B15R2.562 Cc1cnccc1SCC2=NCCN2 62a_100000737910_100000765111 [2,0,0,0,0,0|1,1,0]=4 1179 B15R2.562 Cc1cnccc1SCC2=NCCN2 62a_100000765111_100000737910 [2,0,0,0,0,0|1,1,0]=4 1180 B15R2.562 Cc1ncccc1OCC2=NCCN2 34a_100000745507_100000737910 [2,0,0,0,0,0|1,0,0]=3 1181 B15R2.562 Cc1ncccc1OCC2=NCCN2 7a_100000745507_100000737910 [2,0,0,0,0,0|1,0,0]=3 1182 B15R2.562 Cc1ncccc1SCC2=NCCN2 62a_100000737910_100000751574 [2,0,0,0,0,0|1,1,0]=4 1183 B15R2.562 Cc1ncccc1SCC2=NCCN2 62a_100000751574_100000737910 [2,0,0,0,0,0|1,1,0]=4 1184 B15R2.562 Cc1nccnc1OCC2=NCCN2 34a_100000766352_100000737910 [2,0,0,0,0,0|2,0,0]=4 1185 B15R2.562 Clc1ccccc1NCC2=NCCN2 34a_100000185783_100000737910 [2,0,0,0,0,0|2,0,0]=4 1186 B15R2.562 Clc1ccccc1OCC2=NCCN2 34a_100000210172_100000737910 [2,0,0,0,0,0|1,0,0]=3 1187 B15R2.562 Clc1ccccc1OCC2=NCCN2 7a_100000210172_100000737910 [2,0,0,0,0,0|1,0,0]=3 1188 B15R2.562 Clc1ccccc1SCC2=NCCN2 62a_100000737910_100000764095 [2,0,0,0,0,0|1,1,0]=4 1189 B15R2.562 Clc1ccccc1SCC2=NCCN2 62a_100000764095_100000737910 [2,0,0,0,0,0|1,1,0]=4 1190 B15R2.562 Clc1cccnc1OCC2=NCCN2 34a_100011290957_100000737910 [2,0,0,0,0,0|2,0,0]=4 1191 B15R2.562 Clc1ccncc1OCC2=NCCN2 34a_100011996695_100000737910 [2,0,0,0,0,0|2,0,0]=4 1192 B15R2.562 Clc1cnccc1OCC2=NCCN2 34a_100011997054_100000737910 [2,0,0,0,0,0|2,0,0]=4 1193 B15R2.562 Clc1ncccc1OCC2=NCCN2 34a_100000757616_100000737910 [2,0,0,0,0,0|2,0,0]=4 1194 B15R2.562 Clc1ncccc1OCC2=NCCN2 7a_100000757616_100000737910 [2,0,0,0,0,0|2,0,0]=4 1195 B15R2.562 Fc1ccccc1NCC2=NCCN2 34a_100000210422_100000737910 [2,0,0,0,0,0|2,0,0]=4 1196 B15R2.562 Fc1ccccc1OCC2=NCCN2 34a_100000210171_100000737910 [2,0,0,0,0,0|1,0,0]=3 1197 B15R2.562 Fc1ccccc1OCC2=NCCN2 7a_100000210171_100000737910 [2,0,0,0,0,0|1,0,0]=3 1198 B15R2.562 Fc1ccccc1SCC2=NCCN2 62a_100000737910_100011215700 [2,0,0,0,0,0|1,1,0]=4 1199 B15R2.562 Fc1ccccc1SCC2=NCCN2 62a_100011215700_100000737910 [2,0,0,0,0,0|1,1,0]=4 1200 B15R2.562 Fc1cccnc1OCC2=NCCN2 34a_100011219419_100000737910 [2,0,0,0,0,0|2,0,0]=4 1201 B15R2.562 Fc1cnccc1OCC2=NCCN2 34a_200000081243_100000737910 [2,0,0,0,0,0|2,0,0]=4 1202 B15R2.562 Fc1ncccc1OCC2=NCCN2 34a_100000061740_100000737910 [2,0,0,0,0,0|2,0,0]=4 1203 B15R2.562 Fc1ncccc1OCC2=NCCN2 7a_100000061740_100000737910 [2,0,0,0,0,0|2,0,0]=4 1204 B15R2.562 Ic1ccccc1NCC2=NCCN2 34a_100000210053_100000737910 [2,0,0,0,0,0|2,0,0]=4 1205 B15R2.562 Ic1ccccc1OCC2=NCCN2 34a_100000739446_100000737910 [2,0,0,0,0,0|1,0,0]=3 1206 B15R2.562 Ic1ccccc1OCC2=NCCN2 7a_100000739446_100000737910 [2,0,0,0,0,0|1,0,0]=3 1207 B15R2.562 Ic1ccncc1OCC2=NCCN2 34a_100000050107_100000737910 [2,0,0,0,0,0|2,0,0]=4 1208 B15R2.562 Ic1ncccc1OCC2=NCCN2 34a_100000034122_100000737910 [2,0,0,0,0,0|2,0,0]=4 1209 B15R2.562 Ic1ncccc1OCC2=NCCN2 7a_100000034122_100000737910 [2,0,0,0,0,0|2,0,0]=4 1210 B15R2.562 Nc1ccccc1OCC2=NCCN2 34a_100000185747_100000737910 [2,0,0,0,0,0|1,0,0]=3 1211 B15R2.562 Nc1ccccc1OCC2=NCCN2 7a_100000185747_100000737910 [2,0,0,0,0,0|1,0,0]=3 1212 B15R2.562 Nc1ccccc1SCC2=NCCN2 62a_100000210017_100000737910 [2,0,0,0,0,0|1,1,0]=4 1213 B15R2.562 Nc1ccccc1SCC2=NCCN2 62a_100000737910_100000210017 [2,0,0,0,0,0|1,1,0]=4 1214 B15R2.562 Nc1cccnc1OCC2=NCCN2 34a_100000746358_100000737910 [2,0,0,0,0,0|2,0,0]=4 1215 B15R2.562 Nc1ccncc1OCC2=NCCN2 34a_100000753702_100000737910 [2,0,0,0,0,0|2,0,0]=4 1216 B15R2.562 Nc1ncccc1OCC2=NCCN2 34a_100000211975_100000737910 [2,0,0,0,0,0|2,0,0]=4 1217 B15R2.562 Nc1ncccc1OCC2=NCCN2 7a_100000211975_100000737910 [2,0,0,0,0,0|2,0,0]=4 1218 B15R2.562 O=c1ccocc1OCC2=NCCN2 34a_100000060831_100000737910 [2,0,0,0,0,0|2,0,0]=4 1219 B15R2.562 O=c1occcc1OCC2=NCCN2 34a_100000077404_100000737910 [2,0,0,0,0,0|2,0,0]=4 1220 B15R2.562 O=c1occcc1OCC2=NCCN2 7a_100000077404_100000737910 [2,0,0,0,0,0|2,0,0]=4 1221 B15R2.562 Oc1ccccc1NCC2=NCCN2 34a_100000185747_100000737910 [2,0,0,0,0,0|2,0,0]=4 1222 B15R2.562 Oc1ccccc1SCC2=NCCN2 62a_100000737910_100000739446 [2,0,0,0,0,0|1,1,0]=4 1223 B15R2.562 Oc1ccccc1SCC2=NCCN2 62a_100000739446_100000737910 [2,0,0,0,0,0|1,1,0]=4 1224 B15R2.562 [O-][n+]1ccccc1OCC2=NCCN2 7a_100000211761_100000737910 [2,0,0,0,0,0|2,0,0]=4 1225 B17R1.4156 CC(C)(C)c1ccccc1OCCNCCF 2230a_100000753717_100011217306 [0,1,1,0,0,0|1,0,1]=4 1226 B17R1.4156 CC(C)(C)c1ccccc1OCCNCCF 34a_100000753717_100011217306 [0,1,1,0,0,0|1,0,1]=4 1227 B17R1.4156 CC(C)(C)c1ccccc1OCCNCCO 2230a_100000753717_100000211926 [0,1,1,0,0,0|1,0,1]=4 1228 B17R1.4156 CC(C)(C)c1ccccc1OCCNCCO 34a_100000753717_100000211926 [0,1,1,0,0,0|1,0,1]=4 1229 B17R1.4156 CCCNCCOc1ccccc1C(C)(C)C 2230a_100000753717_100000210303 [0,1,1,0,0,0|1,0,1]=4 1230 B17R1.4156 CCCNCCOc1ccccc1C(C)(C)C 34a_100000753717_100000210303 [0,1,1,0,0,0|1,0,1]=4 1231 B17R1.7901 C#CCCNCCOc1ccccc1C(C)C 2230a_100000754683_100000688953 [0,1,1,0,0,0|1,0,1]=4 1232 B17R1.7901 C#CCCNCCOc1ccccc1C(C)C 34a_100000754683_100000688953 [0,1,1,0,0,0|1,0,1]=4 1233 B17R1.7901 C=CCCNCCOc1ccccc1C(C)C 2230a_100000754683_100000754431 [0,1,1,0,0,0|1,0,1]=4 1234 B17R1.7901 C=CCCNCCOc1ccccc1C(C)C 34a_100000754683_100000754431 [0,1,1,0,0,0|1,0,1]=4 1235 B17R1.7901 CC(C)c1ccccc1OCCNCCC#N 2230a_100000754683_100011215226 [0,1,1,0,0,0|0,0,2]=4 1236 B17R1.7901 CC(C)c1ccccc1OCCNCCCF 2230a_100000754683_100011934791 [0,1,1,0,0,0|1,0,1]=4 1237 B17R1.7901 CC(C)c1ccccc1OCCNCCCF 34a_100000754683_100011934791 [0,1,1,0,0,0|1,0,1]=4 1238 B17R1.7901 CC(C)c1ccccc1OCCNCCCO 2230a_100000754683_100000230001 [0,1,1,0,0,0|1,0,1]=4 1239 B17R1.7901 CC(C)c1ccccc1OCCNCCCO 34a_100000754683_100000230001 [0,1,1,0,0,0|1,0,1]=4 1240 B17R1.7901 CCCCNCCOc1ccccc1C(C)C 2230a_100000754683_100000210211 [0,1,1,0,0,0|1,0,1]=4 1241 B17R1.7901 CCCCNCCOc1ccccc1C(C)C 34a_100000754683_100000210210 [0,1,1,0,0,0|1,0,1]=4 1242 B17R1.7901 COCCNCCOc1ccccc1C(C)C 2230a_100000754683_100011201679 [0,1,1,0,0,0|1,0,1]=4 1243 B17R1.7901 COCCNCCOc1ccccc1C(C)C 34a_100000754683_100011201679 [0,1,1,0,0,0|1,0,1]=4 1244 B17R1.7901 CSCCNCCOc1ccccc1C(C)C 2230a_100000754683_100000751147 [0,1,1,0,0,0|1,0,1]=4 1245 B17R1.7901 CSCCNCCOc1ccccc1C(C)C 34a_100000754683_100000212216 [0,1,1,0,0,0|1,0,1]=4 1246 B17R1.8911 C#CCNC(=O)COc1ccccc1C(C)C 11a_100000212058_100000183894 [0,1,1,0,0,0|1,0,1]=4 1247 B17R1.8911 C#CCNC(=O)COc1ccccc1C(C)C 1626a_100000212058_100000183894 [0,1,1,0,0,0|1,0,1]=4 1248 B17R1.8911 C#CCNC(=O)COc1ccccc1C(C)C 240690a_100000212058_100000183894 [0,1,1,0,0,0|1,0,1]=4 1249 B17R1.8911 C#CCNC(=O)COc1ccccc1C(C)C 527a_100000212058_100000183894 [0,1,1,0,0,0|1,0,1]=4 1250 B17R1.8911 C=CCNC(=O)COc1ccccc1C(C)C 1626a_100020586998_100000183894 [0,1,1,0,0,0|1,0,1]=4 1251 B17R1.8911 C=CCNC(=O)COc1ccccc1C(C)C 240690a_100020586998_100000183894 [0,1,1,0,0,0|1,0,1]=4 1252 B17R1.8911 C=CCNC(=O)COc1ccccc1C(C)C 527a_100020586998_100000183894 [0,1,1,0,0,0|1,0,1]=4 1253 B17R1.8911 C=CCNC(=O)COc1ccccc1C(C)C 7a_100000211617_100000183597 [0,1,1,0,0,0|1,0,1]=4 1254 B17R1.8911 CC(C)c1ccccc1OCC(=O)CCCF 1458a_100000183894_100011934791 [0,1,1,0,0,0|2,0,0]=4 1255 B17R1.8911 CC(C)c1ccccc1OCC(=O)CCCO 1458a_100000183894_100011215043 [0,1,1,0,0,0|2,0,0]=4 1256 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCC#N 1626a_100000734998_100000183894 [0,1,1,0,0,0|0,0,2]=4 1257 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCC#N 527a_100000734998_100000183894 [0,1,1,0,0,0|0,0,2]=4 1258 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCC#N 7a_100000211617_100000736037 [0,1,1,0,0,0|0,0,2]=4 1259 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCF 11a_100000724931_100000183894 [0,1,1,0,0,0|1,0,0]=3 1260 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCF 1626a_100000724931_100000183894 [0,1,1,0,0,0|1,0,0]=3 1261 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCF 240690a_100000724931_100000183894 [0,1,1,0,0,0|1,0,0]=3 1262 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCF 527a_100000724931_100000183894 [0,1,1,0,0,0|1,0,0]=3 1263 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCO 240690a_100000210304_100000183894 [0,1,1,0,0,0|1,0,0]=3 1264 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCO 527a_100000210304_100000183894 [0,1,1,0,0,0|1,0,0]=3 1265 B17R1.8911 CCCCC(=O)COc1ccccc1C(C)C 1458a_100000183894_100000210211 [0,1,1,0,0,0|2,0,0]=4 1266 B17R1.8911 CCCNC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000183358 [0,1,1,0,0,0|2,0,0]=4 1267 B17R1.8911 CCCNC(=O)CNc1ccccc1C(C)C 34a_100000210643_100000183358 [0,1,1,0,0,0|2,0,0]=4 1268 B17R1.8911 CCCNC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000183358 [0,1,1,0,0,0|2,0,0]=4 1269 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)C 11a_100020643023_100000183894 [0,1,1,0,0,0|1,0,0]=3 1270 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)C 1626a_100020643023_100000183894 [0,1,1,0,0,0|1,0,0]=3 1271 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)C 240690a_100020643023_100000183894 [0,1,1,0,0,0|1,0,0]=3 1272 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)C 34a_100000211617_100000183358 [0,1,1,0,0,0|1,0,0]=3 1273 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)C 527a_100020643023_100000183894 [0,1,1,0,0,0|1,0,0]=3 1274 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)C 7a_100000211617_100000183358 [0,1,1,0,0,0|1,0,0]=3 1275 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)O 34a_200011232679_100000183358 [0,1,1,0,0,0|2,0,0]=4 1276 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)O 7a_200011232679_100000183358 [0,1,1,0,0,0|2,0,0]=4 1277 B17R1.8911 CCCNC(=O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000183358 [0,1,1,0,0,0|2,0,0]=4 1278 B17R1.8911 CCCNC(=O)COc1cccnc1C(C)C 34a_100012183336_100000183358 [0,1,1,0,0,0|2,0,0]=4 1279 B17R1.8911 CCCNC(=O)COc1cccnc1C(C)C 7a_100012183336_100000183358 [0,1,1,0,0,0|2,0,0]=4 1280 B17R1.8911 CCCNC(=O)CSc1ccccc1C(C)C 62a_100000183358_100000708600 [0,1,1,0,0,0|1,1,0]=4 1281 B17R1.8911 CCCNC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000183358 [0,1,1,0,0,0|1,1,0]=4 1282 B17R1.8911 CCCOC(=O)COc1ccccc1C(C)C 34a_100000211617_200011215008 [0,1,1,0,0,0|2,0,0]=4 1283 B17R1.8911 CCCOC(=O)COc1ccccc1C(C)C 7a_100000211617_200011215008 [0,1,1,0,0,0|2,0,0]=4 1284 B17R1.8911 CCNNC(=O)COc1ccccc1C(C)C 22a_100000756455_100000183894 [0,1,1,0,0,0|2,0,0]=4 1285 B17R1.16398 CC(C)CNCCOc1ccccc1C(C)C 2230a_100000754683_100000210760 [0,1,1,0,0,0|1,0,1]=4 1286 B17R1.16398 CC(C)CNCCOc1ccccc1C(C)C 270004a_100000754683_100000210432 [0,1,1,0,0,0|1,0,1]=4 1287 B17R1.16398 CC(C)CNCCOc1ccccc1C(C)C 34a_100000754683_100000210624 [0,1,1,0,0,0|1,0,1]=4 1288 B17R1.16398 CC(C)c1ccccc1OCCNCC(F)F 2230a_100000754683_100011934356 [0,1,1,0,0,0|1,0,1]=4 1289 B17R1.16398 CC(C)c1ccccc1OCCNCC(F)F 34a_100000754683_100011934356 [0,1,1,0,0,0|1,0,1]=4 1290 B17R1.16398 CC(C)c1ccccc1OCCNC[C@@H](C)O 2230a_100000754683_100009817552 [0,1,1,0,0,0|1,0,1]=4 1291 B17R1.16398 CC(C)c1ccccc1OCCNC[C@@H](C)O 34a_100000754683_100009817552 [0,1,1,0,0,0|1,0,1]=4 1292 B17R1.16398 CC(O)CNCCOc1ccccc1C(C)C 2230a_100000754683_100011218427 [0,1,1,0,0,0|1,0,1]=4 1293 B17R1.16398 CC(O)CNCCOc1ccccc1C(C)C 34a_100000754683_100011218427 [0,1,1,0,0,0|1,0,1]=4 1294 B17R1.24156 CC(CO)NCCOc1ccccc1C(C)C 2230a_100000754683_100012180447 [0,1,1,0,0,0|1,0,1]=4 1295 B17R1.24156 CC(CO)NCCOc1ccccc1C(C)C 34a_100000754683_100012180447 [0,1,1,0,0,0|1,0,1]=4 1296 B17R1.24156 CCC(C)NCCOc1ccccc1C(C)C 2230a_100000754683_100000758301 [0,1,1,0,0,0|1,0,1]=4 1297 B17R1.24156 CCC(C)NCCOc1ccccc1C(C)C 34a_100000754683_100011215416 [0,1,1,0,0,0|1,0,1]=4 1298 B17R1.964 CC(C)c1cc(ccc1OCC(=O)NCO)Br 34a_100000691460_100000185155 [0,1,1,0,0,0|2,0,0]=4 1299 B17R1.964 CC(C)c1cc(ccc1OCC(=O)NCO)Br 7a_100000691460_100000185155 [0,1,1,0,0,0|2,0,0]=4 1300 B17R1.964 CCCC(=O)COc1ccc(cc1C(C)C)Br 7a_100000691460_100000747444 [0,1,1,0,0,0|2,0,0]=4 1301 B17R1.964 CCNC(=O)CNc1ccc(cc1C(C)C)Br 2230a_100000694223_100000183381 [0,1,1,0,0,0|2,0,0]=4 1302 B17R1.964 CCNC(=O)CNc1ccc(cc1C(C)C)Br 34a_100000694223_100000183381 [0,1,1,0,0,0|2,0,0]=4 1303 B17R1.964 CCNC(=O)CNc1ccc(cc1C(C)C)Br 7a_100000694223_100000183381 [0,1,1,0,0,0|2,0,0]=4 1304 B17R1.964 CCNC(=O)CNc1ccc(cc1C(C)C)F 2230a_100011941472_100000183381 [0,1,1,0,0,0|2,0,0]=4 1305 B17R1.964 CCNC(=O)CNc1ccc(cc1C(C)C)F 34a_100011941472_100000183381 [0,1,1,0,0,0|2,0,0]=4 1306 B17R1.964 CCNC(=O)CNc1ccc(cc1C(C)C)F 7a_100011941472_100000183381 [0,1,1,0,0,0|2,0,0]=4 1307 B17R1.964 CCNC(=O)COc1ccc(cc1C(C)C)Br 34a_100000691460_100000183381 [0,1,1,0,0,0|1,0,0]=3 1308 B17R1.964 CCNC(=O)COc1ccc(cc1C(C)C)Br 7a_100000691460_100000183381 [0,1,1,0,0,0|1,0,0]=3 1309 B17R1.964 CCNC(=O)COc1ccc(cc1C(C)O)F 34a_200011305312_100000183381 [0,1,1,0,0,0|2,0,0]=4 1310 B17R1.964 CCNC(=O)COc1ccc(cc1C(C)O)F 7a_200011305312_100000183381 [0,1,1,0,0,0|2,0,0]=4 1311 B17R1.964 CCNC(=O)COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100000183381 [0,1,1,0,0,0|2,0,0]=4 1312 B17R1.964 CCNC(=O)COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_100000183381 [0,1,1,0,0,0|2,0,0]=4 1313 B17R1.964 CCNC(=O)COc1ccc(cc1[C@H](C)N)F 34a_100160469477_100000183381 [0,1,1,0,0,0|2,0,0]=4 1314 B17R1.964 CCNC(=O)COc1ccc(cc1[C@H](C)N)F 7a_100160469477_100000183381 [0,1,1,0,0,0|2,0,0]=4 1315 B17R1.964 CCNC(=O)CSc1ccc(cc1C(C)C)Br 62a_100000183381_100010244561 [0,1,1,0,0,0|1,1,0]=4 1316 B17R1.964 CCNC(=O)CSc1ccc(cc1C(C)C)Br 62a_100010244561_100000183381 [0,1,1,0,0,0|1,1,0]=4 1317 B17R1.964 CCOC(=O)COc1ccc(cc1C(C)C)Br 34a_100000691460_100000188475 [0,1,1,0,0,0|2,0,0]=4 1318 B17R1.964 CCOC(=O)COc1ccc(cc1C(C)C)Br 7a_100000691460_100000188475 [0,1,1,0,0,0|2,0,0]=4 1319 B17R1.4596 CCNC(=O)CC(=O)c1ccccc1C(C)C 1458a_100011941426_100000183381 [0,1,1,0,0,0|2,0,0]=4 1320 B17R1.4596 CCNC(=O)CN(C)c1ccccc1C(C)C 2230a_106256037369_100000183381 [0,1,1,0,0,0|2,0,0]=4 1321 B17R1.4596 CCNC(=O)CN(C)c1ccccc1C(C)C 269982a_106256037369_100000183381 [0,1,1,0,0,0|2,0,0]=4 1322 B17R1.4596 CCNC(=O)CN(C)c1ccccc1C(C)C 34a_106256037369_100000183381 [0,1,1,0,0,0|2,0,0]=4 1323 B17R1.4596 CCNC(=O)CN(C)c1ccccc1C(C)C 38a_106256037369_100000183381 [0,1,1,0,0,0|2,0,0]=4 1324 B17R1.4839 CCCC(=O)COc1cc(ccc1C(C)C)C 1458a_100000182424_100000210303 [0,1,1,0,0,0|2,0,0]=4 1325 B17R1.4839 CCCC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000747444 [0,1,1,0,0,0|2,0,0]=4 1326 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)F 2230a_100012283353_100000183381 [0,1,1,0,0,0|2,0,0]=4 1327 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)F 34a_100012283353_100000183381 [0,1,1,0,0,0|2,0,0]=4 1328 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)F 7a_100012283353_100000183381 [0,1,1,0,0,0|2,0,0]=4 1329 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 11a_100015525214_100000182424 [0,1,1,0,0,0|1,0,0]=3 1330 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 240690a_100015525214_100000182424 [0,1,1,0,0,0|1,0,0]=3 1331 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 34a_100000185798_100000183381 [0,1,1,0,0,0|1,0,0]=3 1332 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 527a_100015525214_100000182424 [0,1,1,0,0,0|1,0,0]=3 1333 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000183381 [0,1,1,0,0,0|1,0,0]=3 1334 B17R1.4839 CCOC(=O)COc1cc(ccc1C(C)C)C 34a_100000185798_100000188475 [0,1,1,0,0,0|2,0,0]=4 1335 B17R1.4839 CCOC(=O)COc1cc(ccc1C(C)C)C 7a_100000185798_100000188475 [0,1,1,0,0,0|2,0,0]=4 1336 B17R1.4839 CNNC(=O)COc1cc(ccc1C(C)C)C 22a_100016993582_100000182424 [0,1,1,0,0,0|2,0,0]=4 1337 B17R1.4839 Cc1ccc(c(c1)OCC(=O)NCO)C(C)C 34a_100000185798_100000185155 [0,1,1,0,0,0|2,0,0]=4 1338 B17R1.4839 Cc1ccc(c(c1)OCC(=O)NCO)C(C)C 7a_100000185798_100000185155 [0,1,1,0,0,0|2,0,0]=4 1339 B17R1.4857 CC(C)(C)c1ccccc1OCC(=O)NCO 34a_100000211619_100000185155 [0,1,1,0,0,0|2,0,0]=4 1340 B17R1.4857 CC(C)(C)c1ccccc1OCC(=O)NCO 7a_100000211619_100000185155 [0,1,1,0,0,0|2,0,0]=4 1341 B17R1.4857 CCCC(=O)COc1ccccc1C(C)(C)C 1458a_100000198604_100000210303 [0,1,1,0,0,0|2,0,0]=4 1342 B17R1.4857 CCCC(=O)COc1ccccc1C(C)(C)C 7a_100000211619_100000747444 [0,1,1,0,0,0|2,0,0]=4 1343 B17R1.4857 CCNC(=O)CNc1ccccc1C(C)(C)C 2230a_100000211005_100000183381 [0,1,1,0,0,0|2,0,0]=4 1344 B17R1.4857 CCNC(=O)CNc1ccccc1C(C)(C)C 34a_100000211005_100000183381 [0,1,1,0,0,0|2,0,0]=4 1345 B17R1.4857 CCNC(=O)CNc1ccccc1C(C)(C)C 7a_100000211005_100000183381 [0,1,1,0,0,0|2,0,0]=4 1346 B17R1.4857 CCNC(=O)CNc1ccccc1C(C)(C)O 34a_100000081495_100000183381 [0,1,1,0,0,0|2,0,0]=4 1347 B17R1.4857 CCNC(=O)CNc1ccccc1C(C)(C)O 7a_100000081495_100000183381 [0,1,1,0,0,0|2,0,0]=4 1348 B17R1.4857 CCNC(=O)COc1ccccc1C(C)(C)C 11a_100015525214_100000198604 [0,1,1,0,0,0|1,0,0]=3 1349 B17R1.4857 CCNC(=O)COc1ccccc1C(C)(C)C 240690a_100015525214_100000198604 [0,1,1,0,0,0|1,0,0]=3 1350 B17R1.4857 CCNC(=O)COc1ccccc1C(C)(C)C 34a_100000211619_100000183381 [0,1,1,0,0,0|1,0,0]=3 1351 B17R1.4857 CCNC(=O)COc1ccccc1C(C)(C)C 527a_100015525214_100000198604 [0,1,1,0,0,0|1,0,0]=3 1352 B17R1.4857 CCNC(=O)COc1ccccc1C(C)(C)C 7a_100000211619_100000183381 [0,1,1,0,0,0|1,0,0]=3 1353 B17R1.4857 CCNC(=O)COc1ccccc1[Si](C)(C)C 7a_100000095915_100000183381 [0,1,1,0,0,0|1,1,0]=4 1354 B17R1.4857 CCNC(=O)CSc1ccccc1C(C)(C)C 62a_100000183381_100012339570 [0,1,1,0,0,0|1,1,0]=4 1355 B17R1.4857 CCNC(=O)CSc1ccccc1C(C)(C)C 62a_100012339570_100000183381 [0,1,1,0,0,0|1,1,0]=4 1356 B17R1.4857 CCNC(=O)CSc1ccccc1C(C)(C)N 62a_100000183381_100020606264 [0,1,1,0,0,0|1,1,0]=4 1357 B17R1.4857 CCNC(=O)CSc1ccccc1C(C)(C)N 62a_100020606264_100000183381 [0,1,1,0,0,0|1,1,0]=4 1358 B17R1.4857 CCNC(=O)CSc1ccccc1C(C)(C)O 62a_100000183381_100011346021 [0,1,1,0,0,0|1,1,0]=4 1359 B17R1.4857 CCNC(=O)CSc1ccccc1C(C)(C)O 62a_100011346021_100000183381 [0,1,1,0,0,0|1,1,0]=4 1360 B17R1.4857 CCOC(=O)COc1ccccc1C(C)(C)C 34a_100000211619_100000188475 [0,1,1,0,0,0|2,0,0]=4 1361 B17R1.4857 CCOC(=O)COc1ccccc1C(C)(C)C 7a_100000211619_100000188475 [0,1,1,0,0,0|2,0,0]=4 1362 B17R1.4857 CNNC(=O)COc1ccccc1C(C)(C)C 22a_100016993582_100000198604 [0,1,1,0,0,0|2,0,0]=4 1363 B17R1.4858 CCC(C)c1ccccc1OCC(=O)NCO 7a_100000211618_100000185155 [0,1,1,0,0,0|2,0,0]=4 1364 B17R1.4858 CCC(C)c1ccccc1OCC(=O)NNC 22a_100016993582_100000189062 [0,1,1,0,0,0|2,0,0]=4 1365 B17R1.4858 CCCC(=O)COc1ccccc1C(C)CC 1458a_100000189062_100000210303 [0,1,1,0,0,0|2,0,0]=4 1366 B17R1.4858 CCCC(=O)COc1ccccc1C(C)CC 7a_100000211618_100000747444 [0,1,1,0,0,0|2,0,0]=4 1367 B17R1.4858 CCNC(=O)CNc1ccccc1C(C)CC 2230a_200000211393_100000183381 [0,1,1,0,0,0|2,0,0]=4 1368 B17R1.4858 CCNC(=O)CNc1ccccc1C(C)CC 7a_200000211393_100000183381 [0,1,1,0,0,0|2,0,0]=4 1369 B17R1.4858 CCNC(=O)COc1ccccc1C(C)CC 11a_100015525214_100000189062 [0,1,1,0,0,0|1,0,0]=3 1370 B17R1.4858 CCNC(=O)COc1ccccc1C(C)CC 240690a_100015525214_100000189062 [0,1,1,0,0,0|1,0,0]=3 1371 B17R1.4858 CCNC(=O)COc1ccccc1C(C)CC 527a_100015525214_100000189062 [0,1,1,0,0,0|1,0,0]=3 1372 B17R1.4858 CCNC(=O)COc1ccccc1C(C)CC 7a_100000211618_100000183381 [0,1,1,0,0,0|1,0,0]=3 1373 B17R1.4858 CCNC(=O)CSc1ccccc1C(C)NC 62a_100000183381_100000692418 [0,1,1,0,0,0|1,1,0]=4 1374 B17R1.4858 CCNC(=O)CSc1ccccc1C(C)NC 62a_100000692418_100000183381 [0,1,1,0,0,0|1,1,0]=4 1375 B17R1.4858 CCOC(=O)COc1ccccc1C(C)CC 7a_100000211618_100000188475 [0,1,1,0,0,0|2,0,0]=4 1376 B17R1.5694 CCCC(=O)C(C)Oc1ccccc1C(C)C 1458a_200000246048_100000210303 [0,1,1,0,0,0|2,0,0]=4 1377 B17R1.5694 CCNC(=O)C(C)Nc1ccccc1C(C)C 2230a_100000210643_100000230173 [0,1,1,0,0,0|2,0,0]=4 1378 B17R1.5694 CCNC(=O)C(C)Nc1ccccc1C(C)C 34a_100000210643_100000230173 [0,1,1,0,0,0|2,0,0]=4 1379 B17R1.5694 CCNC(=O)C(C)Nc1ccccc1C(C)C 7a_100000210643_100000230173 [0,1,1,0,0,0|2,0,0]=4 1380 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1C(C)C 11a_100015525214_200000246048 [0,1,1,0,0,0|1,0,0]=3 1381 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1C(C)C 240690a_100015525214_200000246048 [0,1,1,0,0,0|1,0,0]=3 1382 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1C(C)C 34a_100000211617_100000230173 [0,1,1,0,0,0|1,0,0]=3 1383 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1C(C)C 527a_100015525214_200000246048 [0,1,1,0,0,0|1,0,0]=3 1384 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1C(C)C 7a_100000211617_100000230173 [0,1,1,0,0,0|1,0,0]=3 1385 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1C(C)O 34a_200011232679_100000230173 [0,1,1,0,0,0|2,0,0]=4 1386 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1C(C)O 7a_200011232679_100000230173 [0,1,1,0,0,0|2,0,0]=4 1387 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1[C@@H](C)N 34a_100025703389_100000230173 [0,1,1,0,0,0|2,0,0]=4 1388 B17R1.5694 CCNC(=O)C(C)Oc1cccnc1C(C)C 34a_100012183336_100000230173 [0,1,1,0,0,0|2,0,0]=4 1389 B17R1.5694 CCNC(=O)C(C)Oc1cccnc1C(C)C 7a_100012183336_100000230173 [0,1,1,0,0,0|2,0,0]=4 1390 B17R1.5694 CCNC(=O)C(C)Sc1ccccc1C(C)C 62a_100000230173_100000708600 [0,1,1,0,0,0|1,1,0]=4 1391 B17R1.5694 CCNC(=O)C(C)Sc1ccccc1C(C)C 62a_100000708600_100000230173 [0,1,1,0,0,0|1,1,0]=4 1392 B17R1.5694 CCOC(=O)C(C)Oc1ccccc1C(C)C 34a_100000211617_100011216346 [0,1,1,0,0,0|2,0,0]=4 1393 B17R1.5694 CCOC(=O)C(C)Oc1ccccc1C(C)C 7a_100000211617_100011216346 [0,1,1,0,0,0|2,0,0]=4 1394 B17R1.5694 CCOC(=O)C(F)Oc1ccccc1C(C)C 34a_100000211617_100000760018 [0,1,1,0,0,0|2,0,0]=4 1395 B17R1.5694 CCOC(=O)C(F)Oc1ccccc1C(C)C 7a_100000211617_100000040065 [0,1,1,0,0,0|2,0,0]=4 1396 B17R1.5694 CNNC(=O)C(C)Oc1ccccc1C(C)C 22a_100016993582_200000246048 [0,1,1,0,0,0|2,0,0]=4 1397 B17R1.25033 CCC(C)C(=O)COc1ccccc1C(C)C 1458a_100000183894_100000758301 [0,1,1,0,0,0|2,0,0]=4 1398 B17R1.25033 CCN(C)C(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000738999 [0,1,1,0,0,0|2,0,0]=4 1399 B17R1.25033 CCN(C)C(=O)CNc1ccccc1C(C)C 34a_100000210643_100000738999 [0,1,1,0,0,0|2,0,0]=4 1400 B17R1.25033 CCN(C)C(=O)CNc1ccccc1C(C)C 7a_100000210643_100000738999 [0,1,1,0,0,0|2,0,0]=4 1401 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)C 11a_100000225621_100000183894 [0,1,1,0,0,0|1,0,0]=3 1402 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)C 1626a_100000225621_100000183894 [0,1,1,0,0,0|1,0,0]=3 1403 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)C 240690a_100000225621_100000183894 [0,1,1,0,0,0|1,0,0]=3 1404 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)C 34a_100000211617_100000738999 [0,1,1,0,0,0|1,0,0]=3 1405 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)C 527a_100000225621_100000183894 [0,1,1,0,0,0|1,0,0]=3 1406 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)C 7a_100000211617_100000738999 [0,1,1,0,0,0|1,0,0]=3 1407 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)O 34a_200011232679_100000738999 [0,1,1,0,0,0|2,0,0]=4 1408 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)O 7a_200011232679_100000738999 [0,1,1,0,0,0|2,0,0]=4 1409 B17R1.25033 CCN(C)C(=O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000738999 [0,1,1,0,0,0|2,0,0]=4 1410 B17R1.25033 CCN(C)C(=O)COc1cccnc1C(C)C 34a_100012183336_100000738999 [0,1,1,0,0,0|2,0,0]=4 1411 B17R1.25033 CCN(C)C(=O)COc1cccnc1C(C)C 7a_100012183336_100000738999 [0,1,1,0,0,0|2,0,0]=4 1412 B17R1.25033 CCN(C)C(=O)CSc1ccccc1C(C)C 62a_100000708600_100000738999 [0,1,1,0,0,0|1,1,0]=4 1413 B17R1.25033 CCN(C)C(=O)CSc1ccccc1C(C)C 62a_100000738999_100000708600 [0,1,1,0,0,0|1,1,0]=4 1414 B17R1.25033 CON(C)C(=O)COc1ccccc1C(C)C 7a_100000211617_100000764215 [0,1,1,0,0,0|2,0,0]=4 1415 B17R1.26416 CC(=O)NC(=O)COc1ccccc1C(C)C 7a_100000211617_100000183797 [0,1,1,0,0,0|1,0,1]=4 1416 B17R1.26416 CC(C)CC(=O)COc1ccccc1C(C)C 1458a_100000183894_100000210624 [0,1,1,0,0,0|2,0,0]=4 1417 B17R1.26416 CC(C)NC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000183996 [0,1,1,0,0,0|2,0,0]=4 1418 B17R1.26416 CC(C)NC(=O)CNc1ccccc1C(C)C 34a_100000210643_100000183996 [0,1,1,0,0,0|2,0,0]=4 1419 B17R1.26416 CC(C)NC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000183996 [0,1,1,0,0,0|2,0,0]=4 1420 B17R1.26416 CC(C)NC(=O)COc1ccccc1C(C)C 11a_100138425928_100000183894 [0,1,1,0,0,0|1,0,0]=3 1421 B17R1.26416 CC(C)NC(=O)COc1ccccc1C(C)C 1626a_100138425928_100000183894 [0,1,1,0,0,0|1,0,0]=3 1422 B17R1.26416 CC(C)NC(=O)COc1ccccc1C(C)C 240690a_100138425928_100000183894 [0,1,1,0,0,0|1,0,0]=3 1423 B17R1.26416 CC(C)NC(=O)COc1ccccc1C(C)C 34a_100000211617_100000183996 [0,1,1,0,0,0|1,0,0]=3 1424 B17R1.26416 CC(C)NC(=O)COc1ccccc1C(C)C 527a_100138425928_100000183894 [0,1,1,0,0,0|1,0,0]=3 1425 B17R1.26416 CC(C)NC(=O)COc1ccccc1C(C)C 7a_100000211617_100000183996 [0,1,1,0,0,0|1,0,0]=3 1426 B17R1.26416 CC(C)NC(=O)COc1ccccc1C(C)O 34a_200011232679_100000183996 [0,1,1,0,0,0|2,0,0]=4 1427 B17R1.26416 CC(C)NC(=O)COc1ccccc1C(C)O 7a_200011232679_100000183996 [0,1,1,0,0,0|2,0,0]=4 1428 B17R1.26416 CC(C)NC(=O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000183996 [0,1,1,0,0,0|2,0,0]=4 1429 B17R1.26416 CC(C)NC(=O)COc1cccnc1C(C)C 34a_100012183336_100000183996 [0,1,1,0,0,0|2,0,0]=4 1430 B17R1.26416 CC(C)NC(=O)COc1cccnc1C(C)C 7a_100012183336_100000183996 [0,1,1,0,0,0|2,0,0]=4 1431 B17R1.26416 CC(C)NC(=O)CSc1ccccc1C(C)C 62a_100000183996_100000708600 [0,1,1,0,0,0|1,1,0]=4 1432 B17R1.26416 CC(C)NC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000183996 [0,1,1,0,0,0|1,1,0]=4 1433 B17R1.26416 CC(C)OC(=O)COc1ccccc1C(C)C 34a_100000211617_100011215430 [0,1,1,0,0,0|2,0,0]=4 1434 B17R1.26416 CC(C)OC(=O)COc1ccccc1C(C)C 7a_100000211617_100011215430 [0,1,1,0,0,0|2,0,0]=4 1435 B17R1.26416 CC(O)CC(=O)COc1ccccc1C(C)C 1458a_100000183894_100011218427 [0,1,1,0,0,0|2,0,0]=4 1436 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)Br 2230a_100010571509_100000183381 [0,1,1,0,0,0|2,0,0]=4 1437 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)Br 34a_100010571509_100000183381 [0,1,1,0,0,0|2,0,0]=4 1438 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)Br 7a_100010571509_100000183381 [0,1,1,0,0,0|2,0,0]=4 1439 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)C 2230a_100138557336_100000183381 [0,1,1,0,0,0|2,0,0]=4 1440 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)C 34a_100138557336_100000183381 [0,1,1,0,0,0|2,0,0]=4 1441 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)C 7a_100138557336_100000183381 [0,1,1,0,0,0|2,0,0]=4 1442 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)Cl 2230a_200009958663_100000183381 [0,1,1,0,0,0|2,0,0]=4 1443 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)Cl 34a_200009958663_100000183381 [0,1,1,0,0,0|2,0,0]=4 1444 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)Cl 7a_200009958663_100000183381 [0,1,1,0,0,0|2,0,0]=4 1445 B17R2.1057 CCc1ccccc1OCc2n[nH]c(=O)[nH]2 7a_100000210936_100000754189 [1,1,0,0,0,0|1,0,1]=4 1446 B17R2.2749 COc1ccccc1N(C)CC2=NCCN2 269982a_100000219746_100000737910 [1,1,0,0,0,0|2,0,0]=4 1447 B17R2.2749 COc1ccccc1N(C)CC2=NCCN2 34a_100000219746_100000737910 [1,1,0,0,0,0|2,0,0]=4 1448 B17R2.2750 CCc1ccccc1OCc2nccn2C 34a_100000210936_100000700302 [1,1,0,0,0,0|0,0,2]=4 1449 B17R2.2750 CCc1ccccc1OCc2nccn2C 7a_100000210936_100000700302 [1,1,0,0,0,0|0,0,2]=4 1450 B17R2.4343 BrCCc1ccccc1OCC2=NCCN2 34a_100000722297_100000737910 [1,1,0,0,0,0|0,0,0]=2 1451 B17R2.4343 BrCCc1ccccc1OCC2=NCCN2 7a_100000722297_100000737910 [1,1,0,0,0,0|0,0,0]=2 1452 B17R2.4343 BrCCc1ccccc1OCc2ncc[nH]2 34a_100000722297_100016991755 [1,1,0,0,0,0|0,0,2]=4 1453 B17R2.4343 BrCCc1ccccc1OCc2ncc[nH]2 7a_100000722297_100000753453 [1,1,0,0,0,0|0,0,2]=4 1454 B17R2.4343 BrCCc1ccccc1OCc2nnn[nH]2 34a_100000722297_100000765167 [1,1,0,0,0,0|2,0,0]=4 1455 B17R2.4343 BrCCc1ccccc1OCc2nnn[nH]2 7a_100000722297_100000765167 [1,1,0,0,0,0|2,0,0]=4 1456 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 34a_200000189419_100000737910 [1,1,0,0,0,0|0,0,1]=3 1457 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 7a_200000189419_100000737910 [1,1,0,0,0,0|0,0,1]=3 1458 B17R2.4343 C=CCc1ccccc1NCC2=NCCN2 34a_200138433279_100000737910 [1,1,0,0,0,0|1,0,1]=4 1459 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 34a_100000211836_100000737910 [1,1,0,0,0,0|0,0,1]=3 1460 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 7a_100000211836_100000737910 [1,1,0,0,0,0|0,0,1]=3 1461 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100000737910_100009828059 [1,1,0,0,0,0|0,1,1]=4 1462 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100009828059_100000737910 [1,1,0,0,0,0|0,1,1]=4 1463 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 34a_100000737634_100000737910 [1,1,0,0,0,0|1,0,0]=3 1464 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 7a_100000737634_100000737910 [1,1,0,0,0,0|1,0,0]=3 1465 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 34a_100011217252_100000737910 [1,1,0,0,0,0|0,0,0]=2 1466 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 7a_100011217252_100000737910 [1,1,0,0,0,0|0,0,0]=2 1467 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 34a_100011217252_100016991755 [1,1,0,0,0,0|0,0,2]=4 1468 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 7a_100011217252_100000753453 [1,1,0,0,0,0|0,0,2]=4 1469 B17R2.4343 CCCc1ccccc1OCc2nnn[nH]2 34a_100011217252_100000765167 [1,1,0,0,0,0|2,0,0]=4 1470 B17R2.4343 CCCc1ccccc1OCc2nnn[nH]2 7a_100011217252_100000765167 [1,1,0,0,0,0|2,0,0]=4 1471 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 34a_103624766699_100000737910 [1,1,0,0,0,0|0,0,0]=2 1472 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 7a_103624766699_100000737910 [1,1,0,0,0,0|0,0,0]=2 1473 B17R2.4343 CCNc1ccccc1OCc2ncc[nH]2 34a_103624766699_100016991755 [1,1,0,0,0,0|0,0,2]=4 1474 B17R2.4343 CCNc1ccccc1OCc2ncc[nH]2 7a_103624766699_100000753453 [1,1,0,0,0,0|0,0,2]=4 1475 B17R2.4343 CCNc1ccccc1OCc2nnn[nH]2 34a_103624766699_100000765167 [1,1,0,0,0,0|2,0,0]=4 1476 B17R2.4343 CCNc1ccccc1OCc2nnn[nH]2 7a_103624766699_100000765167 [1,1,0,0,0,0|2,0,0]=4 1477 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_100000737910_114873767003 [1,1,0,0,0,0|0,1,0]=3 1478 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_114873767003_100000737910 [1,1,0,0,0,0|0,1,0]=3 1479 B17R2.4343 CCOc1ccccc1NCC2=NCCN2 34a_100000211218_100000737910 [1,1,0,0,0,0|1,0,0]=3 1480 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 34a_100000211404_100000737910 [1,1,0,0,0,0|0,0,0]=2 1481 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 7a_100000211404_100000737910 [1,1,0,0,0,0|0,0,0]=2 1482 B17R2.4343 CCOc1ccccc1OCc2ncc[nH]2 34a_100000211404_100016991755 [1,1,0,0,0,0|0,0,2]=4 1483 B17R2.4343 CCOc1ccccc1OCc2ncc[nH]2 7a_100000211404_100000753453 [1,1,0,0,0,0|0,0,2]=4 1484 B17R2.4343 CCOc1ccccc1OCc2nnn[nH]2 34a_100000211404_100000765167 [1,1,0,0,0,0|2,0,0]=4 1485 B17R2.4343 CCOc1ccccc1OCc2nnn[nH]2 7a_100000211404_100000765167 [1,1,0,0,0,0|2,0,0]=4 1486 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000230754_100000737910 [1,1,0,0,0,0|0,1,0]=3 1487 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000737910_100000230754 [1,1,0,0,0,0|0,1,0]=3 1488 B17R2.4343 CCOc1cccnc1SCC2=NCCN2 62a_100000737910_100011597540 [1,1,0,0,0,0|1,1,0]=4 1489 B17R2.4343 CCOc1cccnc1SCC2=NCCN2 62a_100011597540_100000737910 [1,1,0,0,0,0|1,1,0]=4 1490 B17R2.4343 CCOc1ncccc1OCC2=NCCN2 34a_100011998697_100000737910 [1,1,0,0,0,0|1,0,0]=3 1491 B17R2.4343 CCOc1ncccc1SCC2=NCCN2 62a_100000737910_100011465154 [1,1,0,0,0,0|1,1,0]=4 1492 B17R2.4343 CCOc1ncccc1SCC2=NCCN2 62a_100011465154_100000737910 [1,1,0,0,0,0|1,1,0]=4 1493 B17R2.4343 CCSc1ccccc1NCC2=NCCN2 34a_100011223125_100000737910 [1,1,0,0,0,0|1,0,0]=3 1494 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000230856_100000737910 [1,1,0,0,0,0|0,1,0]=3 1495 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000737910_100000230856 [1,1,0,0,0,0|0,1,0]=3 1496 B17R2.4343 CNCc1ccccc1OCC2=NCCN2 34a_100015189988_100000737910 [1,1,0,0,0,0|0,0,0]=2 1497 B17R2.4343 CNCc1ccccc1OCc2ncc[nH]2 34a_100015189988_100016991755 [1,1,0,0,0,0|0,0,2]=4 1498 B17R2.4343 CNCc1ccccc1OCc2nnn[nH]2 34a_100015189988_100000765167 [1,1,0,0,0,0|2,0,0]=4 1499 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000184654_100000737910 [1,1,0,0,0,0|0,1,0]=3 1500 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000737910_100000184654 [1,1,0,0,0,0|0,1,0]=3 1501 B17R2.4343 CNCc1cccnc1SCC2=NCCN2 62a_100000737910_103496529121 [1,1,0,0,0,0|1,1,0]=4 1502 B17R2.4343 CNCc1cccnc1SCC2=NCCN2 62a_103496529121_100000737910 [1,1,0,0,0,0|1,1,0]=4 1503 B17R2.4343 COCc1ccccc1OCC2=NCCN2 34a_100011488565_100000737910 [1,1,0,0,0,0|0,0,0]=2 1504 B17R2.4343 COCc1ccccc1OCC2=NCCN2 7a_100011488565_100000737910 [1,1,0,0,0,0|0,0,0]=2 1505 B17R2.4343 COCc1ccccc1OCc2ncc[nH]2 34a_100011488565_100016991755 [1,1,0,0,0,0|0,0,2]=4 1506 B17R2.4343 COCc1ccccc1OCc2ncc[nH]2 7a_100011488565_100000753453 [1,1,0,0,0,0|0,0,2]=4 1507 B17R2.4343 COCc1ccccc1OCc2nnn[nH]2 34a_100011488565_100000765167 [1,1,0,0,0,0|2,0,0]=4 1508 B17R2.4343 COCc1ccccc1OCc2nnn[nH]2 7a_100011488565_100000765167 [1,1,0,0,0,0|2,0,0]=4 1509 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100000737910_100011493684 [1,1,0,0,0,0|0,1,0]=3 1510 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100011493684_100000737910 [1,1,0,0,0,0|0,1,0]=3 1511 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000148299_100000737910 [1,1,0,0,0,0|0,1,0]=3 1512 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000737910_100000148299 [1,1,0,0,0,0|0,1,0]=3 1513 B17R2.4343 N#CCc1ccccc1OCC2=NCCN2 34a_100000043107_100000737910 [1,1,0,0,0,0|0,0,1]=3 1514 B17R2.4343 N#CCc1ccccc1OCC2=NCCN2 7a_100000043107_100000737910 [1,1,0,0,0,0|0,0,1]=3 1515 B17R2.4343 N#CCc1ccccc1SCC2=NCCN2 62a_100000033512_100000737910 [1,1,0,0,0,0|0,1,1]=4 1516 B17R2.4343 N#CCc1ccccc1SCC2=NCCN2 62a_100000737910_100000033512 [1,1,0,0,0,0|0,1,1]=4 1517 B17R2.4343 NCCc1ccccc1OCC2=NCCN2 34a_100011207237_100000737910 [1,1,0,0,0,0|0,0,0]=2 1518 B17R2.4343 NCCc1ccccc1OCc2ncc[nH]2 34a_100011207237_100016991755 [1,1,0,0,0,0|0,0,2]=4 1519 B17R2.4343 NCCc1ccccc1OCc2nnn[nH]2 34a_100011207237_100000765167 [1,1,0,0,0,0|2,0,0]=4 1520 B17R2.4343 NCCc1ccccc1SCC2=NCCN2 62a_100000737910_100000747383 [1,1,0,0,0,0|0,1,0]=3 1521 B17R2.4343 NCCc1ccccc1SCC2=NCCN2 62a_100000747383_100000737910 [1,1,0,0,0,0|0,1,0]=3 1522 B17R2.4343 NNCc1ccccc1SCC2=NCCN2 62a_100000737910_200016993956 [1,1,0,0,0,0|1,1,0]=4 1523 B17R2.4343 NNCc1ccccc1SCC2=NCCN2 62a_200016993956_100000737910 [1,1,0,0,0,0|1,1,0]=4 1524 B17R2.4343 OCCc1ccccc1NCC2=NCCN2 34a_100011215289_100000737910 [1,1,0,0,0,0|1,0,0]=3 1525 B17R2.4343 OCCc1ccccc1OCC2=NCCN2 34a_100000719421_100000737910 [1,1,0,0,0,0|0,0,0]=2 1526 B17R2.4343 OCCc1ccccc1OCC2=NCCN2 7a_100000719421_100000737910 [1,1,0,0,0,0|0,0,0]=2 1527 B17R2.4343 OCCc1ccccc1OCc2ncc[nH]2 34a_100000719421_100016991755 [1,1,0,0,0,0|0,0,2]=4 1528 B17R2.4343 OCCc1ccccc1OCc2ncc[nH]2 7a_100000719421_100000753453 [1,1,0,0,0,0|0,0,2]=4 1529 B17R2.4343 OCCc1ccccc1OCc2nnn[nH]2 34a_100000719421_100000765167 [1,1,0,0,0,0|2,0,0]=4 1530 B17R2.4343 OCCc1ccccc1OCc2nnn[nH]2 7a_100000719421_100000765167 [1,1,0,0,0,0|2,0,0]=4 1531 B17R2.4343 OCCc1ccccc1SCC2=NCCN2 62a_100000731337_100000737910 [1,1,0,0,0,0|0,1,0]=3 1532 B17R2.4343 OCCc1ccccc1SCC2=NCCN2 62a_100000737910_100000731337 [1,1,0,0,0,0|0,1,0]=3 1533 B17R2.9549 CCc1ccc(cc1NCC2=NCCN2)Br 34a_100012354963_100000737910 [1,1,0,0,0,0|1,0,0]=3 1534 B17R2.9549 CCc1ccc(cc1NCC2=NCCN2)Br 7a_100012354963_100000737910 [1,1,0,0,0,0|1,0,0]=3 1535 B17R2.9549 CCc1ccc(cc1NCC2=NCCN2)Cl 34a_200012281948_100000737910 [1,1,0,0,0,0|1,0,0]=3 1536 B17R2.9549 CCc1ccc(cc1NCC2=NCCN2)Cl 7a_200012281948_100000737910 [1,1,0,0,0,0|1,0,0]=3 1537 B17R2.9549 CCc1cnc(cc1SCC2=NCCN2)C 62a_100000737910_100010291839 [1,1,0,0,0,0|1,1,0]=4 1538 B17R2.9549 CCc1cnc(cc1SCC2=NCCN2)C 62a_100010291839_100000737910 [1,1,0,0,0,0|1,1,0]=4 1539 B17R2.9549 CCc1ncc(cc1SCC2=NCCN2)N 62a_100000737910_100013085292 [1,1,0,0,0,0|1,1,0]=4 1540 B17R2.9549 CCc1ncc(cc1SCC2=NCCN2)N 62a_100013085292_100000737910 [1,1,0,0,0,0|1,1,0]=4 1541 B17R2.9549 CNc1ccc(cc1SCC2=NCCN2)C 62a_100000221369_100000737910 [1,1,0,0,0,0|1,1,0]=4 1542 B17R2.9549 CNc1ccc(cc1SCC2=NCCN2)C 62a_100000737910_100000221369 [1,1,0,0,0,0|1,1,0]=4 1543 B17R2.9549 CNc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100011246292 [1,1,0,0,0,0|1,1,0]=4 1544 B17R2.9549 CNc1ccc(cc1SCC2=NCCN2)F 62a_100011246292_100000737910 [1,1,0,0,0,0|1,1,0]=4 1545 B17R2.9549 COc1ccc(cc1NCC2=NCCN2)Br 34a_100000743470_100000737910 [1,1,0,0,0,0|2,0,0]=4 1546 B17R2.9549 COc1ccc(cc1NCC2=NCCN2)C 34a_100000210980_100000737910 [1,1,0,0,0,0|2,0,0]=4 1547 B17R2.9549 COc1ccc(cc1NCC2=NCCN2)Cl 34a_100000182114_100000737910 [1,1,0,0,0,0|2,0,0]=4 1548 B17R2.9549 COc1ccc(cc1NCC2=NCCN2)F 34a_100000757179_100000737910 [1,1,0,0,0,0|2,0,0]=4 1549 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)Br 34a_100009816560_100000737910 [1,1,0,0,0,0|1,0,0]=3 1550 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)Br 7a_100009816560_100000737910 [1,1,0,0,0,0|1,0,0]=3 1551 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)C 34a_100011216497_100000737910 [1,1,0,0,0,0|1,0,0]=3 1552 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)C 7a_100011216497_100000737910 [1,1,0,0,0,0|1,0,0]=3 1553 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)Cl 34a_100000101779_100000737910 [1,1,0,0,0,0|1,0,0]=3 1554 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)Cl 7a_100000101779_100000737910 [1,1,0,0,0,0|1,0,0]=3 1555 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)F 34a_100000034962_100000737910 [1,1,0,0,0,0|1,0,0]=3 1556 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)F 7a_100000034962_100000737910 [1,1,0,0,0,0|1,0,0]=3 1557 B17R2.9549 COc1ccc(cc1OCC2=NCCN2)N 34a_100000211920_100000737910 [1,1,0,0,0,0|1,0,0]=3 1558 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)Br 62a_100000737910_100012351588 [1,1,0,0,0,0|1,1,0]=4 1559 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)Br 62a_100012351588_100000737910 [1,1,0,0,0,0|1,1,0]=4 1560 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)C 62a_100000186399_100000737910 [1,1,0,0,0,0|1,1,0]=4 1561 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)C 62a_100000737910_100000186399 [1,1,0,0,0,0|1,1,0]=4 1562 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)Cl 62a_100000737910_100011215930 [1,1,0,0,0,0|1,1,0]=4 1563 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)Cl 62a_100011215930_100000737910 [1,1,0,0,0,0|1,1,0]=4 1564 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)F 62a_100000171694_100000737910 [1,1,0,0,0,0|1,1,0]=4 1565 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000171694 [1,1,0,0,0,0|1,1,0]=4 1566 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)N 62a_100000737910_100011356947 [1,1,0,0,0,0|1,1,0]=4 1567 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)N 62a_100011356947_100000737910 [1,1,0,0,0,0|1,1,0]=4 1568 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)O 62a_100000737910_100010234764 [1,1,0,0,0,0|1,1,0]=4 1569 B17R2.9549 COc1ccc(cc1SCC2=NCCN2)O 62a_100010234764_100000737910 [1,1,0,0,0,0|1,1,0]=4 1570 B17R2.9549 COc1cnc(cc1OCC2=NCCN2)Br 34a_100010264082_100000737910 [1,1,0,0,0,0|2,0,0]=4 1571 B17R2.9549 COc1cnc(cc1OCC2=NCCN2)Cl 34a_100009849459_100000737910 [1,1,0,0,0,0|2,0,0]=4 1572 B17R2.9549 COc1ncc(cc1OCC2=NCCN2)Br 34a_100010135713_100000737910 [1,1,0,0,0,0|2,0,0]=4 1573 B17R2.9549 CSc1ccc(cc1NCC2=NCCN2)Cl 34a_100000745667_100000737910 [1,1,0,0,0,0|2,0,0]=4 1574 B17R2.9549 CSc1ccc(cc1SCC2=NCCN2)C 62a_100000737910_200010201864 [1,1,0,0,0,0|1,1,0]=4 1575 B17R2.9549 CSc1ccc(cc1SCC2=NCCN2)C 62a_200010201864_100000737910 [1,1,0,0,0,0|1,1,0]=4 1576 B17R2.9549 CSc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100009817003 [1,1,0,0,0,0|1,1,0]=4 1577 B17R2.9549 CSc1ccc(cc1SCC2=NCCN2)F 62a_100009817003_100000737910 [1,1,0,0,0,0|1,1,0]=4 1578 B17R2.9549 Cc1ccc(c(c1)NCC2=NCCN2)CO 34a_100000087799_100000737910 [1,1,0,0,0,0|2,0,0]=4 1579 B17R2.9549 Cc1ccc(c(c1)OCC2=NCCN2)C#N 34a_100011640519_100000737910 [1,1,0,0,0,0|1,0,1]=4 1580 B17R2.9549 Cc1ccc(c(c1)OCC2=NCCN2)C#N 7a_100011640519_100000737910 [1,1,0,0,0,0|1,0,1]=4 1581 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)Br 34a_100011934713_100000737910 [1,1,0,0,0,0|1,0,1]=4 1582 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)Br 7a_100011934713_100000737910 [1,1,0,0,0,0|1,0,1]=4 1583 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)Cl 34a_100000688488_100000737910 [1,1,0,0,0,0|1,0,1]=4 1584 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)Cl 7a_100000688488_100000737910 [1,1,0,0,0,0|1,0,1]=4 1585 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)F 34a_100012185923_100000737910 [1,1,0,0,0,0|1,0,1]=4 1586 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)F 7a_100012185923_100000737910 [1,1,0,0,0,0|1,0,1]=4 1587 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)N 34a_100000094571_100000737910 [1,1,0,0,0,0|1,0,1]=4 1588 B17R2.9549 N#Cc1ccc(cc1OCC2=NCCN2)N 7a_100000094571_100000737910 [1,1,0,0,0,0|1,0,1]=4 1589 B17R2.9549 NCc1ccc(cc1SCC2=NCCN2)F 62a_100000708791_100000737910 [1,1,0,0,0,0|1,1,0]=4 1590 B17R2.9549 NCc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000708791 [1,1,0,0,0,0|1,1,0]=4 1591 B17R2.9549 OCc1ccc(cc1NCC2=NCCN2)Br 34a_100000718831_100000737910 [1,1,0,0,0,0|2,0,0]=4 1592 B17R2.9549 OCc1ccc(cc1NCC2=NCCN2)Cl 34a_100000238622_100000737910 [1,1,0,0,0,0|2,0,0]=4 1593 B17R2.9549 OCc1ccc(cc1NCC2=NCCN2)F 34a_100011996588_100000737910 [1,1,0,0,0,0|2,0,0]=4 1594 B17R2.9549 OCc1ccc(cc1OCC2=NCCN2)Br 34a_100000071718_100000737910 [1,1,0,0,0,0|1,0,0]=3 1595 B17R2.9549 OCc1ccc(cc1OCC2=NCCN2)Br 7a_100000071718_100000737910 [1,1,0,0,0,0|1,0,0]=3 1596 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)Br 62a_100000737910_100010146605 [1,1,0,0,0,0|1,1,0]=4 1597 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)Br 62a_100010146605_100000737910 [1,1,0,0,0,0|1,1,0]=4 1598 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)Cl 62a_100000722340_100000737910 [1,1,0,0,0,0|1,1,0]=4 1599 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)Cl 62a_100000737910_100000722340 [1,1,0,0,0,0|1,1,0]=4 1600 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000744086 [1,1,0,0,0,0|1,1,0]=4 1601 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)F 62a_100000744086_100000737910 [1,1,0,0,0,0|1,1,0]=4 1602 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)O 62a_100000737910_100010146404 [1,1,0,0,0,0|1,1,0]=4 1603 B17R2.9549 OCc1ccc(cc1SCC2=NCCN2)O 62a_100010146404_100000737910 [1,1,0,0,0,0|1,1,0]=4 1604 B17R2.10450 CCc1cc(ccc1NCC2=NCCN2)Br 34a_100000686106_100000737910 [1,1,0,0,0,0|1,0,0]=3 1605 B17R2.10450 CCc1cc(ccc1NCC2=NCCN2)Br 7a_100000686106_100000737910 [1,1,0,0,0,0|1,0,0]=3 1606 B17R2.10450 CCc1cc(ccc1NCC2=NCCN2)Cl 34a_100012017146_100000737910 [1,1,0,0,0,0|1,0,0]=3 1607 B17R2.10450 CCc1cc(ccc1NCC2=NCCN2)Cl 7a_100012017146_100000737910 [1,1,0,0,0,0|1,0,0]=3 1608 B17R2.10450 CCc1cc(ccc1NCC2=NCCN2)I 34a_100000014069_100000737910 [1,1,0,0,0,0|1,0,0]=3 1609 B17R2.10450 CCc1cc(ccc1NCC2=NCCN2)I 7a_100000014069_100000737910 [1,1,0,0,0,0|1,0,0]=3 1610 B17R2.10450 CCc1cc(ccc1OCC2=NCCN2)Br 34a_100012338938_100000737910 [1,1,0,0,0,0|0,0,0]=2 1611 B17R2.10450 CCc1cc(ccc1OCC2=NCCN2)Br 7a_100012338938_100000737910 [1,1,0,0,0,0|0,0,0]=2 1612 B17R2.10450 CCc1cc(ccc1OCC2=NCCN2)C 34a_100009844793_100000737910 [1,1,0,0,0,0|0,0,0]=2 1613 B17R2.10450 CCc1cc(ccc1OCC2=NCCN2)C 7a_100009844793_100000737910 [1,1,0,0,0,0|0,0,0]=2 1614 B17R2.10450 CCc1cc(ccc1OCC2=NCCN2)F 34a_200000035566_100000737910 [1,1,0,0,0,0|0,0,0]=2 1615 B17R2.10450 CCc1cc(ccc1OCC2=NCCN2)F 7a_200000035566_100000737910 [1,1,0,0,0,0|0,0,0]=2 1616 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)Br 34a_100012338938_100016991755 [1,1,0,0,0,0|0,0,2]=4 1617 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)Br 7a_100012338938_100000753453 [1,1,0,0,0,0|0,0,2]=4 1618 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)C 34a_100009844793_100016991755 [1,1,0,0,0,0|0,0,2]=4 1619 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)C 7a_100009844793_100000753453 [1,1,0,0,0,0|0,0,2]=4 1620 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)F 34a_200000035566_100016991755 [1,1,0,0,0,0|0,0,2]=4 1621 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)F 7a_200000035566_100000753453 [1,1,0,0,0,0|0,0,2]=4 1622 B17R2.10450 CCc1cc(ccc1OCc2nnn[nH]2)Br 34a_100012338938_100000765167 [1,1,0,0,0,0|2,0,0]=4 1623 B17R2.10450 CCc1cc(ccc1OCc2nnn[nH]2)Br 7a_100012338938_100000765167 [1,1,0,0,0,0|2,0,0]=4 1624 B17R2.10450 CCc1cc(ccc1OCc2nnn[nH]2)C 34a_100009844793_100000765167 [1,1,0,0,0,0|2,0,0]=4 1625 B17R2.10450 CCc1cc(ccc1OCc2nnn[nH]2)C 7a_100009844793_100000765167 [1,1,0,0,0,0|2,0,0]=4 1626 B17R2.10450 CCc1cc(ccc1OCc2nnn[nH]2)F 34a_200000035566_100000765167 [1,1,0,0,0,0|2,0,0]=4 1627 B17R2.10450 CCc1cc(ccc1OCc2nnn[nH]2)F 7a_200000035566_100000765167 [1,1,0,0,0,0|2,0,0]=4 1628 B17R2.10450 CCc1cc(ccc1SCC2=NCCN2)Br 62a_100000737910_100011216195 [1,1,0,0,0,0|0,1,0]=3 1629 B17R2.10450 CCc1cc(ccc1SCC2=NCCN2)Br 62a_100011216195_100000737910 [1,1,0,0,0,0|0,1,0]=3 1630 B17R2.10450 CCc1cc(ccc1SCC2=NCCN2)N 62a_100000737910_100010109747 [1,1,0,0,0,0|0,1,0]=3 1631 B17R2.10450 CCc1cc(ccc1SCC2=NCCN2)N 62a_100010109747_100000737910 [1,1,0,0,0,0|0,1,0]=3 1632 B17R2.10450 CCc1nc(ccc1OCC2=NCCN2)C 34a_100000718140_100000737910 [1,1,0,0,0,0|1,0,0]=3 1633 B17R2.10450 CCc1nc(ccc1OCC2=NCCN2)C 7a_100000718140_100000737910 [1,1,0,0,0,0|1,0,0]=3 1634 B17R2.10450 CNc1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100020633008 [1,1,0,0,0,0|1,1,0]=4 1635 B17R2.10450 CNc1cc(ccc1SCC2=NCCN2)F 62a_100020633008_100000737910 [1,1,0,0,0,0|1,1,0]=4 1636 B17R2.10450 COc1cc(ccc1NCC2=NCCN2)Br 34a_100011279103_100000737910 [1,1,0,0,0,0|2,0,0]=4 1637 B17R2.10450 COc1cc(ccc1NCC2=NCCN2)C 34a_100000746441_100000737910 [1,1,0,0,0,0|2,0,0]=4 1638 B17R2.10450 COc1cc(ccc1NCC2=NCCN2)Cl 34a_100000707585_100000737910 [1,1,0,0,0,0|2,0,0]=4 1639 B17R2.10450 COc1cc(ccc1NCC2=NCCN2)F 34a_100000737216_100000737910 [1,1,0,0,0,0|2,0,0]=4 1640 B17R2.10450 COc1cc(ccc1NCC2=NCCN2)I 34a_100015196925_100000737910 [1,1,0,0,0,0|2,0,0]=4 1641 B17R2.10450 COc1cc(ccc1NCC2=NCCN2)O 34a_100015326901_100000737910 [1,1,0,0,0,0|2,0,0]=4 1642 B17R2.10450 COc1cc(ccc1OCC2=NCCN2)Br 34a_100000694246_100000737910 [1,1,0,0,0,0|1,0,0]=3 1643 B17R2.10450 COc1cc(ccc1OCC2=NCCN2)Br 7a_100000694246_100000737910 [1,1,0,0,0,0|1,0,0]=3 1644 B17R2.10450 COc1cc(ccc1OCC2=NCCN2)C 34a_100000186466_100000737910 [1,1,0,0,0,0|1,0,0]=3 1645 B17R2.10450 COc1cc(ccc1OCC2=NCCN2)Cl 34a_100000033002_100000737910 [1,1,0,0,0,0|1,0,0]=3 1646 B17R2.10450 COc1cc(ccc1OCC2=NCCN2)F 34a_100000036057_100000737910 [1,1,0,0,0,0|1,0,0]=3 1647 B17R2.10450 COc1cc(ccc1OCC2=NCCN2)F 7a_100000036057_100000737910 [1,1,0,0,0,0|1,0,0]=3 1648 B17R2.10450 COc1cc(ccc1OCC2=NCCN2)I 34a_100000049635_100000737910 [1,1,0,0,0,0|1,0,0]=3 1649 B17R2.10450 COc1cc(ccc1OCC2=NCCN2)N 34a_100000726020_100000737910 [1,1,0,0,0,0|1,0,0]=3 1650 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)Br 62a_100000737910_100010245111 [1,1,0,0,0,0|1,1,0]=4 1651 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)Br 62a_100010245111_100000737910 [1,1,0,0,0,0|1,1,0]=4 1652 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)C 62a_100000737910_100010200004 [1,1,0,0,0,0|1,1,0]=4 1653 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)C 62a_100010200004_100000737910 [1,1,0,0,0,0|1,1,0]=4 1654 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)Cl 62a_100000050115_100000737910 [1,1,0,0,0,0|1,1,0]=4 1655 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)Cl 62a_100000737910_100000050115 [1,1,0,0,0,0|1,1,0]=4 1656 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100000757151 [1,1,0,0,0,0|1,1,0]=4 1657 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)F 62a_100000757151_100000737910 [1,1,0,0,0,0|1,1,0]=4 1658 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)N 62a_100000737910_100000765947 [1,1,0,0,0,0|1,1,0]=4 1659 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)N 62a_100000765947_100000737910 [1,1,0,0,0,0|1,1,0]=4 1660 B17R2.10450 COc1cc(ccc1SCC2=NCCN2)O 62a_100000737910_100011827694 [1,1,0,0,0,0|1,1,0]=4 1661 B17R2.10450 COc1cc(cnc1OCC2=NCCN2)Cl 34a_200009845368_100000737910 [1,1,0,0,0,0|2,0,0]=4 1662 B17R2.10450 COc1nc(ccc1OCC2=NCCN2)Br 34a_100010893133_100000737910 [1,1,0,0,0,0|2,0,0]=4 1663 B17R2.10450 CSc1cc(ccc1SCC2=NCCN2)C 62a_100000737910_200010709736 [1,1,0,0,0,0|1,1,0]=4 1664 B17R2.10450 CSc1cc(ccc1SCC2=NCCN2)C 62a_200010709736_100000737910 [1,1,0,0,0,0|1,1,0]=4 1665 B17R2.10450 Cc1ccc(c(c1)C#N)OCC2=NCCN2 34a_200012180384_100000737910 [1,1,0,0,0,0|1,0,1]=4 1666 B17R2.10450 Cc1ccc(c(c1)C#N)OCC2=NCCN2 7a_200012180384_100000737910 [1,1,0,0,0,0|1,0,1]=4 1667 B17R2.10450 Cc1ccc(c(c1)CO)NCC2=NCCN2 34a_100011215565_100000737910 [1,1,0,0,0,0|2,0,0]=4 1668 B17R2.10450 Cc1ccc(c(c1)CO)OCC2=NCCN2 34a_200011846009_100000737910 [1,1,0,0,0,0|1,0,0]=3 1669 B17R2.10450 Cc1ccc(c(c1)CO)OCC2=NCCN2 7a_200011846009_100000737910 [1,1,0,0,0,0|1,0,0]=3 1670 B17R2.10450 Cc1ccc(c(c1)CO)SCC2=NCCN2 62a_100000737910_100012361352 [1,1,0,0,0,0|1,1,0]=4 1671 B17R2.10450 Cc1ccc(c(c1)CO)SCC2=NCCN2 62a_100012361352_100000737910 [1,1,0,0,0,0|1,1,0]=4 1672 B17R2.10450 Cc1ccc(c(n1)CCl)OCC2=NCCN2 34a_100020630696_100000737910 [1,1,0,0,0,0|2,0,0]=4 1673 B17R2.10450 Cc1ccc(c(n1)CCl)OCC2=NCCN2 7a_100020630696_100000737910 [1,1,0,0,0,0|2,0,0]=4 1674 B17R2.10450 Cc1ccc(c(n1)CO)OCC2=NCCN2 34a_100000751967_100000737910 [1,1,0,0,0,0|2,0,0]=4 1675 B17R2.10450 Fc1ccc(c(c1)CBr)OCC2=NCCN2 34a_100010161318_100000737910 [1,1,0,0,0,0|1,0,0]=3 1676 B17R2.10450 Fc1ccc(c(c1)CBr)OCC2=NCCN2 7a_100010161318_100000737910 [1,1,0,0,0,0|1,0,0]=3 1677 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)Br 34a_100000687585_100000737910 [1,1,0,0,0,0|1,0,1]=4 1678 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)Br 7a_100000687585_100000737910 [1,1,0,0,0,0|1,0,1]=4 1679 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)Cl 34a_100011219380_100000737910 [1,1,0,0,0,0|1,0,1]=4 1680 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)Cl 7a_100011219380_100000737910 [1,1,0,0,0,0|1,0,1]=4 1681 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)F 34a_100011900173_100000737910 [1,1,0,0,0,0|1,0,1]=4 1682 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)F 7a_100011900173_100000737910 [1,1,0,0,0,0|1,0,1]=4 1683 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)I 34a_200000049958_100000737910 [1,1,0,0,0,0|1,0,1]=4 1684 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)I 7a_200000049958_100000737910 [1,1,0,0,0,0|1,0,1]=4 1685 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)N 34a_100011249283_100000737910 [1,1,0,0,0,0|1,0,1]=4 1686 B17R2.10450 N#Cc1cc(ccc1OCC2=NCCN2)N 7a_100011249283_100000737910 [1,1,0,0,0,0|1,0,1]=4 1687 B17R2.10450 NCc1cc(ccc1OCC2=NCCN2)Br 34a_100000730032_100000737910 [1,1,0,0,0,0|1,0,0]=3 1688 B17R2.10450 NCc1cc(ccc1OCC2=NCCN2)Cl 34a_100000238540_100000737910 [1,1,0,0,0,0|1,0,0]=3 1689 B17R2.10450 NCc1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100000742738 [1,1,0,0,0,0|1,1,0]=4 1690 B17R2.10450 NCc1cc(ccc1SCC2=NCCN2)F 62a_100000742738_100000737910 [1,1,0,0,0,0|1,1,0]=4 1691 B17R2.10450 Nc1ccc(c(c1)CO)SCC2=NCCN2 62a_100000737910_100012347228 [1,1,0,0,0,0|1,1,0]=4 1692 B17R2.10450 Nc1ccc(c(c1)CO)SCC2=NCCN2 62a_100012347228_100000737910 [1,1,0,0,0,0|1,1,0]=4 1693 B17R2.10450 OCc1cc(ccc1NCC2=NCCN2)Br 34a_100012353972_100000737910 [1,1,0,0,0,0|2,0,0]=4 1694 B17R2.10450 OCc1cc(ccc1NCC2=NCCN2)Cl 34a_100011214999_100000737910 [1,1,0,0,0,0|2,0,0]=4 1695 B17R2.10450 OCc1cc(ccc1NCC2=NCCN2)F 34a_100011296978_100000737910 [1,1,0,0,0,0|2,0,0]=4 1696 B17R2.10450 OCc1cc(ccc1OCC2=NCCN2)Br 34a_100000184703_100000737910 [1,1,0,0,0,0|1,0,0]=3 1697 B17R2.10450 OCc1cc(ccc1OCC2=NCCN2)Br 7a_100000184703_100000737910 [1,1,0,0,0,0|1,0,0]=3 1698 B17R2.10450 OCc1cc(ccc1OCC2=NCCN2)Cl 34a_100011218961_100000737910 [1,1,0,0,0,0|1,0,0]=3 1699 B17R2.10450 OCc1cc(ccc1OCC2=NCCN2)Cl 7a_100011218961_100000737910 [1,1,0,0,0,0|1,0,0]=3 1700 B17R2.10450 OCc1cc(ccc1OCC2=NCCN2)F 34a_100011291448_100000737910 [1,1,0,0,0,0|1,0,0]=3 1701 B17R2.10450 OCc1cc(ccc1OCC2=NCCN2)F 7a_100011291448_100000737910 [1,1,0,0,0,0|1,0,0]=3 1702 B17R2.10450 OCc1cc(ccc1OCC2=NCCN2)I 34a_100000049520_100000737910 [1,1,0,0,0,0|1,0,0]=3 1703 B17R2.10450 OCc1cc(ccc1OCC2=NCCN2)I 7a_100000049520_100000737910 [1,1,0,0,0,0|1,0,0]=3 1704 B17R2.10450 OCc1cc(ccc1SCC2=NCCN2)Br 62a_100000737910_100011356890 [1,1,0,0,0,0|1,1,0]=4 1705 B17R2.10450 OCc1cc(ccc1SCC2=NCCN2)Br 62a_100011356890_100000737910 [1,1,0,0,0,0|1,1,0]=4 1706 B17R2.10450 OCc1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100011217561 [1,1,0,0,0,0|1,1,0]=4 1707 B17R2.10450 OCc1cc(ccc1SCC2=NCCN2)F 62a_100011217561_100000737910 [1,1,0,0,0,0|1,1,0]=4 1708 B17R2.10450 OCc1cc(ccc1SCC2=NCCN2)O 62a_100000737910_100012351483 [1,1,0,0,0,0|1,1,0]=4 1709 B17R2.10450 OCc1cc(ccc1SCC2=NCCN2)O 62a_100012351483_100000737910 [1,1,0,0,0,0|1,1,0]=4 1710 B17R2.16287 CNc1c(cccc1SCC2=NCCN2)N 62a_100010510394_100000737910 [1,1,0,0,0,0|1,1,0]=4 1711 B17R2.16287 COc1c(cccc1NCC2=NCCN2)Br 34a_100011935253_100000737910 [1,1,0,0,0,0|2,0,0]=4 1712 B17R2.16287 COc1c(cccc1NCC2=NCCN2)C 34a_100012017360_100000737910 [1,1,0,0,0,0|2,0,0]=4 1713 B17R2.16287 COc1c(cccc1NCC2=NCCN2)Cl 34a_100000743799_100000737910 [1,1,0,0,0,0|2,0,0]=4 1714 B17R2.16287 COc1c(cccc1NCC2=NCCN2)F 34a_100011215007_100000737910 [1,1,0,0,0,0|2,0,0]=4 1715 B17R2.16287 COc1c(cccc1OCC2=NCCN2)Br 34a_100010234590_100000737910 [1,1,0,0,0,0|1,0,0]=3 1716 B17R2.16287 COc1c(cccc1OCC2=NCCN2)Cl 34a_200009886253_100000737910 [1,1,0,0,0,0|1,0,0]=3 1717 B17R2.16287 COc1c(cccc1OCC2=NCCN2)Cl 7a_200009886253_100000737910 [1,1,0,0,0,0|1,0,0]=3 1718 B17R2.16287 COc1c(cccc1SCC2=NCCN2)Br 62a_100000737910_100010146560 [1,1,0,0,0,0|1,1,0]=4 1719 B17R2.16287 COc1c(cccc1SCC2=NCCN2)Br 62a_100010146560_100000737910 [1,1,0,0,0,0|1,1,0]=4 1720 B17R2.16287 COc1c(cccc1SCC2=NCCN2)C 62a_100000737910_100010141385 [1,1,0,0,0,0|1,1,0]=4 1721 B17R2.16287 COc1c(cccc1SCC2=NCCN2)C 62a_100010141385_100000737910 [1,1,0,0,0,0|1,1,0]=4 1722 B17R2.16287 COc1c(cccc1SCC2=NCCN2)Cl 62a_100000737910_100010147678 [1,1,0,0,0,0|1,1,0]=4 1723 B17R2.16287 COc1c(cccc1SCC2=NCCN2)Cl 62a_100010147678_100000737910 [1,1,0,0,0,0|1,1,0]=4 1724 B17R2.16287 COc1c(cccc1SCC2=NCCN2)F 62a_100000737910_100009816759 [1,1,0,0,0,0|1,1,0]=4 1725 B17R2.16287 COc1c(cccc1SCC2=NCCN2)F 62a_100009816759_100000737910 [1,1,0,0,0,0|1,1,0]=4 1726 B17R2.16287 COc1c(cccc1SCC2=NCCN2)N 62a_100011935253_100000737910 [1,1,0,0,0,0|1,1,0]=4 1727 B17R2.16287 COc1c(cccc1SCC2=NCCN2)O 62a_100000737910_100010234590 [1,1,0,0,0,0|1,1,0]=4 1728 B17R2.16287 COc1c(ccnc1Cl)OCC2=NCCN2 34a_100000104430_100000737910 [1,1,0,0,0,0|2,0,0]=4 1729 B17R2.16287 CSc1c(cccc1OCC2=NCCN2)C 34a_200000099257_100000737910 [1,1,0,0,0,0|1,0,0]=3 1730 B17R2.16287 CSc1c(cccc1OCC2=NCCN2)C 7a_200000099257_100000737910 [1,1,0,0,0,0|1,0,0]=3 1731 B17R2.16287 CSc1c(cccc1SCC2=NCCN2)F 62a_100000737910_200010709249 [1,1,0,0,0,0|1,1,0]=4 1732 B17R2.16287 CSc1c(cccc1SCC2=NCCN2)F 62a_200010709249_100000737910 [1,1,0,0,0,0|1,1,0]=4 1733 B17R2.16287 Cc1cccc(c1C#N)OCC2=NCCN2 34a_100000079363_100000737910 [1,1,0,0,0,0|1,0,1]=4 1734 B17R2.16287 Cc1cccc(c1C#N)OCC2=NCCN2 7a_100000079363_100000737910 [1,1,0,0,0,0|1,0,1]=4 1735 B17R2.16287 Cc1cccc(c1CO)OCC2=NCCN2 34a_200009874777_100000737910 [1,1,0,0,0,0|1,0,0]=3 1736 B17R2.16287 Cc1cccc(c1CO)OCC2=NCCN2 7a_200009874777_100000737910 [1,1,0,0,0,0|1,0,0]=3 1737 B17R2.16287 N#Cc1c(cccc1OCC2=NCCN2)Br 34a_100012180507_100000737910 [1,1,0,0,0,0|1,0,1]=4 1738 B17R2.16287 N#Cc1c(cccc1OCC2=NCCN2)Br 7a_100012180507_100000737910 [1,1,0,0,0,0|1,0,1]=4 1739 B17R2.16287 N#Cc1c(cccc1OCC2=NCCN2)Cl 34a_100000764475_100000737910 [1,1,0,0,0,0|1,0,1]=4 1740 B17R2.16287 N#Cc1c(cccc1OCC2=NCCN2)Cl 7a_100000764475_100000737910 [1,1,0,0,0,0|1,0,1]=4 1741 B17R2.16287 N#Cc1c(cccc1OCC2=NCCN2)F 34a_100000741147_100000737910 [1,1,0,0,0,0|1,0,1]=4 1742 B17R2.16287 N#Cc1c(cccc1OCC2=NCCN2)F 7a_100000741147_100000737910 [1,1,0,0,0,0|1,0,1]=4 1743 B17R2.16287 NCc1c(cccc1SCC2=NCCN2)F 62a_100000737910_100012349121 [1,1,0,0,0,0|1,1,0]=4 1744 B17R2.16287 NCc1c(cccc1SCC2=NCCN2)F 62a_100012349121_100000737910 [1,1,0,0,0,0|1,1,0]=4 1745 B17R2.16287 Nc1cccc(c1CO)SCC2=NCCN2 62a_100000737910_100000747656 [1,1,0,0,0,0|1,1,0]=4 1746 B17R2.16287 Nc1cccc(c1CO)SCC2=NCCN2 62a_100000747656_100000737910 [1,1,0,0,0,0|1,1,0]=4 1747 B17R2.16287 OCc1c(cccc1NCC2=NCCN2)Br 34a_100000747656_100000737910 [1,1,0,0,0,0|2,0,0]=4 1748 B17R2.16287 OCc1c(cccc1NCC2=NCCN2)Cl 34a_100011916388_100000737910 [1,1,0,0,0,0|2,0,0]=4 1749 B17R2.16287 OCc1c(cccc1NCC2=NCCN2)F 34a_100011846719_100000737910 [1,1,0,0,0,0|2,0,0]=4 1750 B17R2.16287 OCc1c(cccc1SCC2=NCCN2)F 62a_100000737910_100012355691 [1,1,0,0,0,0|1,1,0]=4 1751 B17R2.16287 OCc1c(cccc1SCC2=NCCN2)F 62a_100012355691_100000737910 [1,1,0,0,0,0|1,1,0]=4 1752 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 34a_100000210048_100000737910 [1,1,0,0,0,0|1,0,0]=3 1753 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 7a_100000210048_100000737910 [1,1,0,0,0,0|1,0,0]=3 1754 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)Br 34a_200010001580_100000737910 [1,1,0,0,0,0|0,0,0]=2 1755 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)Br 7a_200010001580_100000737910 [1,1,0,0,0,0|0,0,0]=2 1756 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 34a_100000034007_100000737910 [1,1,0,0,0,0|0,0,0]=2 1757 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 7a_100000034007_100000737910 [1,1,0,0,0,0|0,0,0]=2 1758 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)Br 34a_200010001580_100016991755 [1,1,0,0,0,0|0,0,2]=4 1759 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)Br 7a_200010001580_100000753453 [1,1,0,0,0,0|0,0,2]=4 1760 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)C 34a_100000034007_100016991755 [1,1,0,0,0,0|0,0,2]=4 1761 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)C 7a_100000034007_100000753453 [1,1,0,0,0,0|0,0,2]=4 1762 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)Br 34a_200010001580_100000765167 [1,1,0,0,0,0|2,0,0]=4 1763 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)Br 7a_200010001580_100000765167 [1,1,0,0,0,0|2,0,0]=4 1764 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)C 34a_100000034007_100000765167 [1,1,0,0,0,0|2,0,0]=4 1765 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)C 7a_100000034007_100000765167 [1,1,0,0,0,0|2,0,0]=4 1766 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000036235_100000737910 [1,1,0,0,0,0|0,1,0]=3 1767 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000036235 [1,1,0,0,0,0|0,1,0]=3 1768 B17R2.71328 CCc1occc(=O)c1OCC2=NCCN2 34a_100000033269_100000737910 [1,1,0,0,0,0|1,0,0]=3 1769 B17R2.71328 COc1cccc(c1NCC2=NCCN2)Br 34a_100000708083_100000737910 [1,1,0,0,0,0|2,0,0]=4 1770 B17R2.71328 COc1cccc(c1NCC2=NCCN2)C 34a_100000758225_100000737910 [1,1,0,0,0,0|2,0,0]=4 1771 B17R2.71328 COc1cccc(c1NCC2=NCCN2)Cl 34a_100011309317_100000737910 [1,1,0,0,0,0|2,0,0]=4 1772 B17R2.71328 COc1cccc(c1NCC2=NCCN2)F 34a_100000686744_100000737910 [1,1,0,0,0,0|2,0,0]=4 1773 B17R2.71328 COc1cccc(c1NCC2=NCCN2)O 34a_100012022766_100000737910 [1,1,0,0,0,0|2,0,0]=4 1774 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Br 34a_100000686866_100000737910 [1,1,0,0,0,0|1,0,0]=3 1775 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 34a_100011219253_100000737910 [1,1,0,0,0,0|1,0,0]=3 1776 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 7a_100011219253_100000737910 [1,1,0,0,0,0|1,0,0]=3 1777 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 34a_100009851661_100000737910 [1,1,0,0,0,0|1,0,0]=3 1778 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 7a_100009851661_100000737910 [1,1,0,0,0,0|1,0,0]=3 1779 B17R2.71328 COc1cccc(c1OCC2=NCCN2)F 34a_100000036725_100000737910 [1,1,0,0,0,0|1,0,0]=3 1780 B17R2.71328 COc1cccc(c1OCC2=NCCN2)F 7a_100000036725_100000737910 [1,1,0,0,0,0|1,0,0]=3 1781 B17R2.71328 COc1cccc(c1OCC2=NCCN2)N 34a_100000123586_100000737910 [1,1,0,0,0,0|1,0,0]=3 1782 B17R2.71328 COc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010131421 [1,1,0,0,0,0|1,1,0]=4 1783 B17R2.71328 COc1cccc(c1SCC2=NCCN2)Br 62a_100010131421_100000737910 [1,1,0,0,0,0|1,1,0]=4 1784 B17R2.71328 COc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100010191535 [1,1,0,0,0,0|1,1,0]=4 1785 B17R2.71328 COc1cccc(c1SCC2=NCCN2)C 62a_100010191535_100000737910 [1,1,0,0,0,0|1,1,0]=4 1786 B17R2.71328 COc1cccc(c1SCC2=NCCN2)F 62a_100000703912_100000737910 [1,1,0,0,0,0|1,1,0]=4 1787 B17R2.71328 COc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100000703912 [1,1,0,0,0,0|1,1,0]=4 1788 B17R2.71328 COc1cccc(c1SCC2=NCCN2)N 62a_100000703447_100000737910 [1,1,0,0,0,0|1,1,0]=4 1789 B17R2.71328 COc1cccc(c1SCC2=NCCN2)N 62a_100000737910_100000703447 [1,1,0,0,0,0|1,1,0]=4 1790 B17R2.71328 COc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100010202623 [1,1,0,0,0,0|1,1,0]=4 1791 B17R2.71328 Cc1cccc(c1NCC2=NCCN2)CO 34a_100011215590_100000737910 [1,1,0,0,0,0|2,0,0]=4 1792 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)C#N 34a_100011659161_100000737910 [1,1,0,0,0,0|1,0,1]=4 1793 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)C#N 7a_100011659161_100000737910 [1,1,0,0,0,0|1,0,1]=4 1794 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)CN 34a_100020639391_100000737910 [1,1,0,0,0,0|1,0,0]=3 1795 B17R2.71328 Cc1cccc(c1SCC2=NCCN2)CO 62a_100000737910_100011659289 [1,1,0,0,0,0|1,1,0]=4 1796 B17R2.71328 Cc1cccc(c1SCC2=NCCN2)CO 62a_100011659289_100000737910 [1,1,0,0,0,0|1,1,0]=4 1797 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Br 34a_100009817103_100000737910 [1,1,0,0,0,0|1,0,1]=4 1798 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Cl 34a_100009866432_100000737910 [1,1,0,0,0,0|1,0,1]=4 1799 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Cl 7a_100009866432_100000737910 [1,1,0,0,0,0|1,0,1]=4 1800 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)F 34a_100000117915_100000737910 [1,1,0,0,0,0|1,0,1]=4 1801 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)F 7a_100000117915_100000737910 [1,1,0,0,0,0|1,0,1]=4 1802 B17R2.71328 NCc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100020638964 [1,1,0,0,0,0|1,1,0]=4 1803 B17R2.71328 NCc1cccc(c1SCC2=NCCN2)F 62a_100020638964_100000737910 [1,1,0,0,0,0|1,1,0]=4 1804 B17R2.71328 OCc1cccc(c1NCC2=NCCN2)Cl 34a_100012182729_100000737910 [1,1,0,0,0,0|2,0,0]=4 1805 B17R2.71328 OCc1cccc(c1NCC2=NCCN2)F 34a_100000692437_100000737910 [1,1,0,0,0,0|2,0,0]=4 1806 B17R2.71328 OCc1cccc(c1OCC2=NCCN2)F 34a_100011997349_100000737910 [1,1,0,0,0,0|1,0,0]=3 1807 B17R2.71328 OCc1cccc(c1OCC2=NCCN2)F 7a_100011997349_100000737910 [1,1,0,0,0,0|1,0,0]=3 1808 B17R2.71328 OCc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010146604 [1,1,0,0,0,0|1,1,0]=4 1809 B17R2.71328 OCc1cccc(c1SCC2=NCCN2)Br 62a_100010146604_100000737910 [1,1,0,0,0,0|1,1,0]=4 1810 B17R2.71328 OCc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100012351117 [1,1,0,0,0,0|1,1,0]=4 1811 B17R2.71328 OCc1cccc(c1SCC2=NCCN2)F 62a_100012351117_100000737910 [1,1,0,0,0,0|1,1,0]=4 1812 B17R2.58610 CCC(C)c1ccccc1OCC2CCC2 7a_100000211618_100000763275 [0,1,0,0,1,0|1,0,1]=4 1813 B17R2.58610 CCC(C)c1ccccc1OCC2CCO2 7a_100000211618_100000103362 [0,1,0,0,1,0|1,0,1]=4 1814 B17R2.90753 CC(C)(C)c1ccccc1OCC2CCC2 34a_100000211619_100000763275 [0,1,0,0,1,0|1,0,1]=4 1815 B17R2.90753 CC(C)(C)c1ccccc1OCC2CCC2 7a_100000211619_100000763275 [0,1,0,0,1,0|1,0,1]=4 1816 B17R2.90753 CC(C)(C)c1ccccc1OCC2CCO2 34a_100000211619_100000103362 [0,1,0,0,1,0|1,0,1]=4 1817 B17R2.90753 CC(C)(C)c1ccccc1OCC2CCO2 7a_100000211619_100000103362 [0,1,0,0,1,0|1,0,1]=4 1818 B17R2.157358 Cc1ccc(c(c1)OCC2CCC2)C(C)C 34a_100000185798_100000763275 [0,1,0,0,1,0|1,0,1]=4 1819 B17R2.157358 Cc1ccc(c(c1)OCC2CCC2)C(C)C 7a_100000185798_100000763275 [0,1,0,0,1,0|1,0,1]=4 1820 B17R2.157358 Cc1ccc(c(c1)OCC2CCO2)C(C)C 34a_100000185798_100000103362 [0,1,0,0,1,0|1,0,1]=4 1821 B17R2.157358 Cc1ccc(c(c1)OCC2CCO2)C(C)C 7a_100000185798_100000103362 [0,1,0,0,1,0|1,0,1]=4 1822 B17R2.277314 CC(C)c1cc(ccc1OCC2CCC2)Br 34a_100000691460_100000763275 [0,1,0,0,1,0|1,0,1]=4 1823 B17R2.277314 CC(C)c1cc(ccc1OCC2CCC2)Br 7a_100000691460_100000763275 [0,1,0,0,1,0|1,0,1]=4 1824 B17R2.277314 CC(C)c1cc(ccc1OCC2CCO2)Br 34a_100000691460_100000103362 [0,1,0,0,1,0|1,0,1]=4 1825 B17R2.277314 CC(C)c1cc(ccc1OCC2CCO2)Br 7a_100000691460_100000103362 [0,1,0,0,1,0|1,0,1]=4 1826 B17R2.293048 CC(C)c1ccccc1OCC2(CCC2)C 34a_100000211617_100000726658 [0,1,0,0,1,0|1,0,1]=4 1827 B17R2.293048 CC(C)c1ccccc1OCC2(CCC2)C 7a_100000211617_100000726658 [0,1,0,0,1,0|1,0,1]=4 1828 B19R2.7525 CC(C)c1ccccc1OCC2CCCCN2C 34a_100000211617_100015186950 [0,1,0,0,0,1|1,0,1]=4 1829 B19R2.7525 CC(C)c1ccccc1OCC2CCCCN2C 7a_100000211617_100015185383 [0,1,0,0,0,1|1,0,1]=4 1830 B19R2.101532 CC(C)c1ccccc1OCC2CCCN(C2)C 34a_100000211617_100015183302 [0,1,0,0,0,1|1,0,1]=4 1831 B19R2.101532 CC(C)c1ccccc1OCC2CCCN(C2)C 7a_100000211617_100000752043 [0,1,0,0,0,1|1,0,1]=4 1832 B19R2.12778 CCC(C)c1ccccc1OCCc2nnn[nH]2 7a_100000211618_100000031946 [0,1,0,0,0,1|2,0,0]=4 1833 B19R2.12778 CNC(=O)c1ccccc1COCC2=NCCN2 34a_100009855793_100000737910 [0,1,0,0,0,1|1,0,1]=4 1834 B19R2.12778 CNC(=O)c1ccccc1COCC2=NCCN2 7a_100009855793_100000737910 [0,1,0,0,0,1|1,0,1]=4 1835 B19R2.20620 CC(C)(C)c1ccccc1OCCc2nnn[nH]2 7a_100000211619_100000031946 [0,1,0,0,0,1|2,0,0]=4 1836 B19R2.20620 CS(=O)(=O)c1ccccc1COCC2=NCCN2 34a_100000730197_100000737910 [0,1,0,0,0,1|2,0,0]=4 1837 B19R2.20620 CS(=O)(=O)c1ccccc1COCC2=NCCN2 7a_100000730197_100000737910 [0,1,0,0,0,1|2,0,0]=4 1838 B19R2.20620 FC(F)(F)c1ccccc1COCC2=NCCN2 34a_100000742289_100000737910 [0,1,0,0,0,1|2,0,0]=4 1839 B19R2.20620 FC(F)(F)c1ccccc1COCC2=NCCN2 7a_100000742289_100000737910 [0,1,0,0,0,1|2,0,0]=4 1840 B19R2.61576 CC(C)c1ccccc1OCCC2CCCN2C 34a_100000211617_100000005710 [0,1,0,0,0,1|1,0,1]=4 1841 B19R2.61576 CC(C)c1ccccc1OCCC2CCCN2C 7a_100000211617_100000005710 [0,1,0,0,0,1|1,0,1]=4 1842 B19R2.103191 CC(C)c1cc(ccc1OCCc2nnn[nH]2)Br 7a_100000691460_100000031946 [0,1,0,0,0,1|2,0,0]=4 1843 B19R2.103443 Cc1ccc(c(c1)OCCc2nnn[nH]2)C(C)C 7a_100000185798_100000031946 [0,1,0,0,0,1|2,0,0]=4 1844 B19R2.7419 CC(C)Oc1ccccc1OCc2nccn2C 34a_100011218612_100000700302 [0,1,0,0,0,1|0,0,2]=4 1845 B19R2.7419 CC(C)Oc1ccccc1OCc2nccn2C 7a_100011218612_100000700302 [0,1,0,0,0,1|0,0,2]=4 1846 B19R2.18079 CN(C)C(=O)c1ccccc1NCC2=NCCN2 34a_100000188421_100000737910 [0,1,0,0,0,1|2,0,0]=4 1847 B19R2.18079 CN(C)C(=O)c1ccccc1OCC2=NCCN2 34a_100000192106_100000737910 [0,1,0,0,0,1|1,0,0]=3 1848 B19R2.18079 CN(C)C(=O)c1ccccc1OCC2=NCCN2 7a_100000192106_100000737910 [0,1,0,0,0,1|1,0,0]=3 1849 B19R2.18079 CN(C)C(=O)c1ccccc1SCC2=NCCN2 62a_100000159526_100000737910 [0,1,0,0,0,1|1,1,0]=4 1850 B19R2.18079 CN(C)C(=O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000159526 [0,1,0,0,0,1|1,1,0]=4 1851 B19R2.18079 CN(C)C(=O)c1ncccc1OCC2=NCCN2 34a_200011376111_100000737910 [0,1,0,0,0,1|2,0,0]=4 1852 B19R2.18079 CN(C)C(=O)c1ncccc1OCC2=NCCN2 7a_200011376111_100000737910 [0,1,0,0,0,1|2,0,0]=4 1853 B19R2.18079 OC(c1ccccc1OCC2=NCCN2)C(Cl)Cl 7a_206447358928_100000737910 [0,1,0,0,0,1|2,0,0]=4 1854 B19R2.44945 CC(C)Oc1ccccc1OCc2n[nH]c(=O)[nH]2 7a_100011218612_100000754189 [0,1,0,0,0,1|1,0,1]=4 1855 B19R2.101394 CC(=O)Nc1c(cccc1OCC2=NCCN2)C 34a_100000103797_100000737910 [0,1,0,0,0,1|1,0,1]=4 1856 B19R2.101394 CC(=O)Nc1c(cccc1OCC2=NCCN2)C 7a_100000103797_100000737910 [0,1,0,0,0,1|1,0,1]=4 1857 B19R2.101394 CC(C)Oc1c(cccc1NCC2=NCCN2)Cl 34a_100000757678_100000737910 [0,1,0,0,0,1|1,0,0]=3 1858 B19R2.101394 CC(C)Oc1c(cccc1SCC2=NCCN2)F 62a_100000737910_200010078528 [0,1,0,0,0,1|0,1,0]=3 1859 B19R2.101394 CC(C)Oc1c(cccc1SCC2=NCCN2)F 62a_200010078528_100000737910 [0,1,0,0,0,1|0,1,0]=3 1860 B19R2.101394 CC(C)Sc1c(cccc1NCC2=NCCN2)Cl 34a_100000759869_100000737910 [0,1,0,0,0,1|1,0,0]=3 1861 B19R2.103386 CC(=O)Cc1cc(ccc1OCC2=NCCN2)Br 34a_200010006938_100000737910 [0,1,0,0,0,1|1,0,1]=4 1862 B19R2.103386 CC(=O)Cc1cc(ccc1OCC2=NCCN2)Br 7a_200010006938_100000737910 [0,1,0,0,0,1|1,0,1]=4 1863 B19R2.103386 CC(=O)Nc1cc(ccc1OCC2=NCCN2)C 34a_100000035807_100000737910 [0,1,0,0,0,1|1,0,1]=4 1864 B19R2.103386 CC(=O)Nc1cc(ccc1OCC2=NCCN2)C 7a_100000035807_100000737910 [0,1,0,0,0,1|1,0,1]=4 1865 B19R2.103386 CC(=O)Nc1cc(ccc1OCC2=NCCN2)Cl 34a_100000012038_100000737910 [0,1,0,0,0,1|1,0,1]=4 1866 B19R2.103386 CC(=O)Nc1cc(ccc1OCC2=NCCN2)Cl 7a_100000012038_100000737910 [0,1,0,0,0,1|1,0,1]=4 1867 B19R2.103386 CC(=O)Nc1cc(ccc1OCC2=NCCN2)N 34a_100000070259_100000737910 [0,1,0,0,0,1|1,0,1]=4 1868 B19R2.103386 CC(=O)Nc1cc(ccc1OCC2=NCCN2)N 7a_100000070259_100000737910 [0,1,0,0,0,1|1,0,1]=4 1869 B19R2.103386 CC(C)Oc1cc(ccc1NCC2=NCCN2)F 34a_100000698198_100000737910 [0,1,0,0,0,1|1,0,0]=3 1870 B19R2.103386 CC(C)Oc1cc(ccc1NCC2=NCCN2)F 7a_100000698198_100000737910 [0,1,0,0,0,1|1,0,0]=3 1871 B19R2.103386 CC(C)Oc1cc(ccc1SCC2=NCCN2)F 62a_100000737910_200012359391 [0,1,0,0,0,1|0,1,0]=3 1872 B19R2.103386 CC(C)Oc1cc(ccc1SCC2=NCCN2)F 62a_200012359391_100000737910 [0,1,0,0,0,1|0,1,0]=3 1873 B19R2.103386 CN(C)Cc1cc(ccc1SCC2=NCCN2)O 62a_100000737910_100011934597 [0,1,0,0,0,1|1,1,0]=4 1874 B19R2.103386 CN(C)Cc1cc(ccc1SCC2=NCCN2)O 62a_100011934597_100000737910 [0,1,0,0,0,1|1,1,0]=4 1875 B19R2.103465 CC(=O)Nc1ccc(cc1OCC2=NCCN2)C 34a_100000161862_100000737910 [0,1,0,0,0,1|1,0,1]=4 1876 B19R2.103465 CC(=O)Nc1ccc(cc1OCC2=NCCN2)C 7a_100000161862_100000737910 [0,1,0,0,0,1|1,0,1]=4 1877 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)Br 34a_100000690130_100000737910 [0,1,0,0,0,1|1,0,0]=3 1878 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)Br 7a_100000690130_100000737910 [0,1,0,0,0,1|1,0,0]=3 1879 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)Cl 34a_100000732564_100000737910 [0,1,0,0,0,1|1,0,0]=3 1880 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)Cl 7a_100000732564_100000737910 [0,1,0,0,0,1|1,0,0]=3 1881 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)F 34a_100000750502_100000737910 [0,1,0,0,0,1|1,0,0]=3 1882 B19R2.103465 CC(C)Oc1ccc(cc1NCC2=NCCN2)F 7a_100000750502_100000737910 [0,1,0,0,0,1|1,0,0]=3 1883 B19R2.103465 CC(C)Oc1ccc(cc1SCC2=NCCN2)F 62a_100000171696_100000737910 [0,1,0,0,0,1|0,1,0]=3 1884 B19R2.103465 CC(C)Oc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000171696 [0,1,0,0,0,1|0,1,0]=3 1885 B19R2.103465 CC(C)Oc1ccc(cc1SCC2=NCCN2)N 62a_100000737910_200000706018 [0,1,0,0,0,1|0,1,0]=3 1886 B19R2.103465 CC(C)Oc1ccc(cc1SCC2=NCCN2)N 62a_200000706018_100000737910 [0,1,0,0,0,1|0,1,0]=3 1887 B19R2.103465 CC(C)Oc1ncc(cc1SCC2=NCCN2)Br 62a_100000737910_200010177600 [0,1,0,0,0,1|1,1,0]=4 1888 B19R2.103465 CC(C)Oc1ncc(cc1SCC2=NCCN2)Br 62a_200010177600_100000737910 [0,1,0,0,0,1|1,1,0]=4 1889 B19R2.103465 CC(C)Sc1ccc(cc1NCC2=NCCN2)Cl 34a_100000752209_100000737910 [0,1,0,0,0,1|1,0,0]=3 1890 B19R2.103465 Cc1ccc(c(c1)NCC2=NCCN2)OC(C)C 34a_200103155816_100000737910 [0,1,0,0,0,1|1,0,0]=3 1891 B19R2.103465 Cc1ccc(c(c1)NCC2=NCCN2)OC(C)C 7a_200103155816_100000737910 [0,1,0,0,0,1|1,0,0]=3 1892 B19R2.103465 Cc1cnc(c(c1)SCC2=NCCN2)OC(C)C 62a_100000737910_200012348018 [0,1,0,0,0,1|1,1,0]=4 1893 B19R2.103465 Cc1cnc(c(c1)SCC2=NCCN2)OC(C)C 62a_200012348018_100000737910 [0,1,0,0,0,1|1,1,0]=4 1894 B19R2.158862 CCC(C)Oc1ccccc1NCC2=NCCN2 34a_100011202597_100000737910 [0,1,0,0,0,1|1,0,0]=3 1895 B19R2.158862 CCC(C)Oc1ccccc1NCC2=NCCN2 7a_100011202597_100000737910 [0,1,0,0,0,1|1,0,0]=3 1896 B19R2.158862 COC(=O)Cc1ccccc1OCC2=NCCN2 7a_100000758901_100000737910 [0,1,0,0,0,1|1,0,1]=4 1897 B19R2.158862 O=C(CCl)Nc1ccccc1OCC2=NCCN2 7a_100000014494_100000737910 [0,1,0,0,0,1|1,0,1]=4 1898 B19R2.257126 CC(C)(C)Oc1ccccc1SCC2=NCCN2 62a_100000737910_100010078496 [0,1,0,0,0,1|0,1,0]=3 1899 B19R2.257126 CC(C)(C)Oc1ccccc1SCC2=NCCN2 62a_100010078496_100000737910 [0,1,0,0,0,1|0,1,0]=3 1900 B19R2.257126 CC(C)(C)Oc1ncccc1SCC2=NCCN2 62a_100000737910_100011465193 [0,1,0,0,0,1|1,1,0]=4 1901 B19R2.257126 CC(C)(C)Oc1ncccc1SCC2=NCCN2 62a_100011465193_100000737910 [0,1,0,0,0,1|1,1,0]=4 1902 B19R2.257126 CC(C)(C)Sc1ccccc1NCC2=NCCN2 34a_100011229668_100000737910 [0,1,0,0,0,1|1,0,0]=3 1903 B19R2.257126 CC(C)(C)Sc1ccccc1NCC2=NCCN2 7a_100011229668_100000737910 [0,1,0,0,0,1|1,0,0]=3 1904 B19R2.257126 CC(C)(N)Cc1ccccc1SCC2=NCCN2 62a_100000737910_100161000475 [0,1,0,0,0,1|0,1,0]=3 1905 B19R2.257126 CC(C)(N)Cc1ccccc1SCC2=NCCN2 62a_100161000475_100000737910 [0,1,0,0,0,1|0,1,0]=3 1906 B19R2.257126 FC(F)(F)Oc1ccccc1OCC2=NCCN2 34a_100000700418_100000737910 [0,1,0,0,0,1|2,0,0]=4 1907 B19R2.257126 FC(F)(F)Oc1ccccc1OCC2=NCCN2 7a_100000700418_100000737910 [0,1,0,0,0,1|2,0,0]=4 1908 B19R2.64185 CC(C)c1cccc(=O)c(c1)OCC2=NCCN2 34a_100000031672_100000737910 [0,1,0,0,0,1|0,0,0]=2 1909 B19R2.64185 CC(C)c1cccc(=O)c(c1)OCC2=NCCN2 7a_100000031672_100000737910 [0,1,0,0,0,1|0,0,0]=2 1910 B19R2.64185 CC(C)c1cccc(=O)c(c1)OCc2ncc[nH]2 34a_100000031672_100016991755 [0,1,0,0,0,1|0,0,2]=4 1911 B19R2.64185 CC(C)c1cccc(=O)c(c1)OCc2ncc[nH]2 7a_100000031672_100000753453 [0,1,0,0,0,1|0,0,2]=4 1912 B19R2.64185 CC(C)c1cccc(=O)c(c1)OCc2nnn[nH]2 34a_100000031672_100000765167 [0,1,0,0,0,1|2,0,0]=4 1913 B19R2.64185 CC(C)c1cccc(=O)c(c1)OCc2nnn[nH]2 7a_100000031672_100000765167 [0,1,0,0,0,1|2,0,0]=4 1914 B19R2.7420 Cn1ccnc1COc2ccccc2C(C)(C)C 34a_100000211619_100000700302 [0,2,0,0,0,0|0,0,2]=4 1915 B19R2.7420 Cn1ccnc1COc2ccccc2C(C)(C)C 7a_100000211619_100000700302 [0,2,0,0,0,0|0,0,2]=4 1916 B19R2.12787 CCC(C)c1ccccc1OCc2nccn2C 7a_100000211618_100000700302 [0,2,0,0,0,0|0,0,2]=4 1917 B19R2.14243 CCn1cnnc1COc2ccccc2C(C)C 34a_100000211617_100015368369 [0,2,0,0,0,0|1,0,1]=4 1918 B19R2.14243 CCn1cnnc1COc2ccccc2C(C)C 7a_100000211617_100015368369 [0,2,0,0,0,0|1,0,1]=4 1919 B19R2.103467 Cc1ccc(c(c1)OCc2nccn2C)C(C)C 34a_100000185798_100000700302 [0,2,0,0,0,0|0,0,2]=4 1920 B19R2.103467 Cc1ccc(c(c1)OCc2nccn2C)C(C)C 7a_100000185798_100000700302 [0,2,0,0,0,0|0,0,2]=4 1921 B19R2.103491 CC(C)c1cc(ccc1OCc2nccn2C)Br 34a_100000691460_100000700302 [0,2,0,0,0,0|0,0,2]=4 1922 B19R2.103491 CC(C)c1cc(ccc1OCc2nccn2C)Br 7a_100000691460_100000700302 [0,2,0,0,0,0|0,0,2]=4 1923 B19R2.217848 CC(C)c1ccccc1OCc2n[nH]c(=O)n2C 7a_100000211617_100010408635 [0,2,0,0,0,0|1,0,1]=4 1924 B19R2.7066 CC(C)(C#N)c1ccccc1SCC2=NCCN2 62a_100000716882_100000737910 [0,2,0,0,0,0|0,1,0]=3 1925 B19R2.7066 CC(C)(C#N)c1ccccc1SCC2=NCCN2 62a_100000737910_100000716882 [0,2,0,0,0,0|0,1,0]=3 1926 B19R2.7066 CCC(C)(C)c1ccccc1OCC2=NCCN2 7a_100000065868_100000737910 [0,2,0,0,0,0|0,0,0]=2 1927 B19R2.7066 CCC(C)(C)c1ccccc1OCc2ncc[nH]2 7a_100000065868_100000753453 [0,2,0,0,0,0|0,0,2]=4 1928 B19R2.7066 CCC(C)(C)c1ccccc1OCc2nnn[nH]2 7a_100000065868_100000765167 [0,2,0,0,0,0|2,0,0]=4 1929 B19R2.8587 COC(OC)c1ccccc1SCC2=NCCN2 62a_100000737910_100010185899 [0,2,0,0,0,0|0,1,0]=3 1930 B19R2.8587 COC(OC)c1ccccc1SCC2=NCCN2 62a_100010185899_100000737910 [0,2,0,0,0,0|0,1,0]=3 1931 B19R2.10734 CCCC(=O)c1ccccc1OCC2=NCCN2 34a_200000073644_100000737910 [0,2,0,0,0,0|1,0,1]=4 1932 B19R2.10734 CCCC(=O)c1ccccc1OCC2=NCCN2 7a_200000073644_100000737910 [0,2,0,0,0,0|1,0,1]=4 1933 B19R2.10734 CCNC(=O)c1ccccc1OCC2=NCCN2 34a_100000192205_100000737910 [0,2,0,0,0,0|1,0,1]=4 1934 B19R2.10734 CCNC(=O)c1ccccc1OCC2=NCCN2 7a_100000192205_100000737910 [0,2,0,0,0,0|1,0,1]=4 1935 B19R2.10734 CCOC(=O)c1ccccc1OCC2=NCCN2 7a_100000169922_100000737910 [0,2,0,0,0,0|1,0,1]=4 1936 B19R2.10734 N#CCC(=O)c1ccccc1OCC2=NCCN2 7a_200009873261_100000737910 [0,2,0,0,0,0|1,0,1]=4 1937 B19R2.10734 O=C(CCCl)c1ccccc1OCC2=NCCN2 7a_100009873196_100000737910 [0,2,0,0,0,0|1,0,1]=4 1938 B19R2.12763 CCC(C)c1ccccc1OCc2n[nH]c(=O)[nH]2 7a_100000211618_100000754189 [0,2,0,0,0,0|1,0,1]=4 1939 B19R2.153651 CCC(=O)c1cc(ccc1OCC2=NCCN2)Br 7a_100000183607_100000737910 [0,2,0,0,0,0|1,0,1]=4 1940 B19R2.153651 CCC(=O)c1cc(ccc1OCC2=NCCN2)C 7a_100000183590_100000737910 [0,2,0,0,0,0|1,0,1]=4 1941 B19R2.153651 CCC(=O)c1cc(ccc1OCC2=NCCN2)Cl 7a_100000181482_100000737910 [0,2,0,0,0,0|1,0,1]=4 1942 B19R2.153651 CCC(=O)c1cc(ccc1OCC2=NCCN2)F 34a_100000183209_100000737910 [0,2,0,0,0,0|1,0,1]=4 1943 B19R2.153651 CCC(=O)c1cc(ccc1OCC2=NCCN2)F 7a_100000183209_100000737910 [0,2,0,0,0,0|1,0,1]=4 1944 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)Br 34a_100000149267_100000737910 [0,2,0,0,0,0|1,0,1]=4 1945 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)Br 7a_100000149267_100000737910 [0,2,0,0,0,0|1,0,1]=4 1946 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)C 34a_100000216618_100000737910 [0,2,0,0,0,0|1,0,1]=4 1947 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)C 7a_100000216618_100000737910 [0,2,0,0,0,0|1,0,1]=4 1948 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)Cl 34a_100000149278_100000737910 [0,2,0,0,0,0|1,0,1]=4 1949 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)Cl 7a_100000149278_100000737910 [0,2,0,0,0,0|1,0,1]=4 1950 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)F 34a_100011219540_100000737910 [0,2,0,0,0,0|1,0,1]=4 1951 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)F 7a_100011219540_100000737910 [0,2,0,0,0,0|1,0,1]=4 1952 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)I 34a_100000149868_100000737910 [0,2,0,0,0,0|1,0,1]=4 1953 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)I 7a_100000149868_100000737910 [0,2,0,0,0,0|1,0,1]=4 1954 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)N 34a_100011246163_100000737910 [0,2,0,0,0,0|1,0,1]=4 1955 B19R2.153651 COC(=O)c1cc(ccc1OCC2=NCCN2)N 7a_100011246163_100000737910 [0,2,0,0,0,0|1,0,1]=4 1956 B19R2.153651 O=C(CBr)c1cc(ccc1OCC2=NCCN2)Br 7a_200009828000_100000737910 [0,2,0,0,0,0|1,0,1]=4 1957 B19R2.153651 O=C(CBr)c1cc(ccc1OCC2=NCCN2)Cl 7a_200009816716_100000737910 [0,2,0,0,0,0|1,0,1]=4 1958 B19R2.153651 O=C(CBr)c1cc(ccc1OCC2=NCCN2)F 7a_100009814381_100000737910 [0,2,0,0,0,0|1,0,1]=4 1959 B19R2.153651 O=C(CCl)c1cc(ccc1OCC2=NCCN2)F 7a_100000047744_100000737910 [0,2,0,0,0,0|1,0,1]=4 1960 B19R2.1327875 CNC(=O)c1ccc(cc1OCC2=NCCN2)N 34a_100000223174_100000737910 [0,2,0,0,0,0|1,0,1]=4 1961 B19R2.1327875 CNC(=O)c1ccc(cc1OCC2=NCCN2)N 7a_100000223174_100000737910 [0,2,0,0,0,0|1,0,1]=4 1962 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)Br 34a_100000699699_100000737910 [0,2,0,0,0,0|1,0,1]=4 1963 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)Br 7a_100000699699_100000737910 [0,2,0,0,0,0|1,0,1]=4 1964 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)C 34a_100000148187_100000737910 [0,2,0,0,0,0|1,0,1]=4 1965 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)C 7a_100000148187_100000737910 [0,2,0,0,0,0|1,0,1]=4 1966 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)Cl 34a_100000151441_100000737910 [0,2,0,0,0,0|1,0,1]=4 1967 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)Cl 7a_100000151441_100000737910 [0,2,0,0,0,0|1,0,1]=4 1968 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)F 34a_100011216117_100000737910 [0,2,0,0,0,0|1,0,1]=4 1969 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)F 7a_100011216117_100000737910 [0,2,0,0,0,0|1,0,1]=4 1970 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)I 7a_100000062286_100000737910 [0,2,0,0,0,0|1,0,1]=4 1971 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)N 34a_100000718744_100000737910 [0,2,0,0,0,0|1,0,1]=4 1972 B19R2.1327875 COC(=O)c1ccc(cc1OCC2=NCCN2)N 7a_100000718744_100000737910 [0,2,0,0,0,0|1,0,1]=4 1973 B19R2.1327875 N[C@@H](CO)c1ccc(cc1OCC2=NCCN2)F 34a_100138412282_100000737910 [0,2,0,0,0,0|1,0,0]=3 1974 B19R2.1327875 O=C(CBr)c1ccc(cc1OCC2=NCCN2)F 7a_100009817053_100000737910 [0,2,0,0,0,0|1,0,1]=4 1975 B19R2.1333974 COC(=O)c1cccc(c1OCC2=NCCN2)Br 34a_100009816214_100000737910 [0,2,0,0,0,0|1,0,1]=4 1976 B19R2.1333974 COC(=O)c1cccc(c1OCC2=NCCN2)C 34a_100000149854_100000737910 [0,2,0,0,0,0|1,0,1]=4 1977 B19R2.1333974 COC(=O)c1cccc(c1OCC2=NCCN2)C 7a_100000149854_100000737910 [0,2,0,0,0,0|1,0,1]=4 1978 B19R2.1333974 COC(=O)c1cccc(c1OCC2=NCCN2)Cl 34a_100000074923_100000737910 [0,2,0,0,0,0|1,0,1]=4 1979 B19R2.1333974 COC(=O)c1cccc(c1OCC2=NCCN2)Cl 7a_100000074923_100000737910 [0,2,0,0,0,0|1,0,1]=4 1980 B19R2.1333974 COC(=O)c1cccc(c1OCC2=NCCN2)F 34a_100000082593_100000737910 [0,2,0,0,0,0|1,0,1]=4 1981 B19R2.1333974 COC(=O)c1cccc(c1OCC2=NCCN2)F 7a_100000082593_100000737910 [0,2,0,0,0,0|1,0,1]=4 1982 B19R2.1333974 COC(=O)c1cccc(c1OCC2=NCCN2)N 34a_100000750886_100000737910 [0,2,0,0,0,0|1,0,1]=4 1983 B19R2.1336903 COC(=O)c1c(cccc1OCC2=NCCN2)C 34a_100000084604_100000737910 [0,2,0,0,0,0|1,0,1]=4 1984 B19R2.1336903 COC(=O)c1c(cccc1OCC2=NCCN2)C 7a_100000084604_100000737910 [0,2,0,0,0,0|1,0,1]=4 1985 B19R2.1336903 COC(=O)c1c(cccc1OCC2=NCCN2)Cl 34a_200000055445_100000737910 [0,2,0,0,0,0|1,0,1]=4 1986 B19R2.1336903 COC(=O)c1c(cccc1OCC2=NCCN2)Cl 7a_200000055445_100000737910 [0,2,0,0,0,0|1,0,1]=4 1987 B19R2.1336903 COC(=O)c1c(cccc1OCC2=NCCN2)F 34a_100011216559_100000737910 [0,2,0,0,0,0|1,0,1]=4 1988 B19R2.1336903 COC(=O)c1c(cccc1OCC2=NCCN2)F 7a_100011216559_100000737910 [0,2,0,0,0,0|1,0,1]=4 1989 B19R2.44946 CC(C)(C)c1ccccc1OCc2n[nH]c(=O)[nH]2 7a_100000211619_100000754189 [0,2,0,0,0,0|1,0,1]=4 1990 B19R2.62010 CC(C)(C)c1cccc(c1OCC2=NCCN2)Br 34a_100010083445_100000737910 [0,2,0,0,0,0|0,0,0]=2 1991 B19R2.62010 CC(C)(C)c1cccc(c1OCC2=NCCN2)Br 7a_100010083445_100000737910 [0,2,0,0,0,0|0,0,0]=2 1992 B19R2.62010 CC(C)(C)c1cccc(c1OCc2ncc[nH]2)Br 34a_100010083445_100016991755 [0,2,0,0,0,0|0,0,2]=4 1993 B19R2.62010 CC(C)(C)c1cccc(c1OCc2ncc[nH]2)Br 7a_100010083445_100000753453 [0,2,0,0,0,0|0,0,2]=4 1994 B19R2.62010 CC(C)(C)c1cccc(c1OCc2nnn[nH]2)Br 34a_100010083445_100000765167 [0,2,0,0,0,0|2,0,0]=4 1995 B19R2.62010 CC(C)(C)c1cccc(c1OCc2nnn[nH]2)Br 7a_100010083445_100000765167 [0,2,0,0,0,0|2,0,0]=4 1996 B19R2.62010 Cc1cccc(c1NCC2=NCCN2)C(C)(C)C 34a_200000034881_100000737910 [0,2,0,0,0,0|1,0,0]=3 1997 B19R2.62010 Cc1cccc(c1NCC2=NCCN2)C(C)(C)C 7a_200000034881_100000737910 [0,2,0,0,0,0|1,0,0]=3 1998 B19R2.62010 Cc1cccc(c1OCC2=NCCN2)C(C)(C)C 34a_100000039572_100000737910 [0,2,0,0,0,0|0,0,0]=2 1999 B19R2.62010 Cc1cccc(c1OCC2=NCCN2)C(C)(C)C 7a_100000039572_100000737910 [0,2,0,0,0,0|0,0,0]=2 2000 B19R2.62010 Cc1cccc(c1OCc2ncc[nH]2)C(C)(C)C 34a_100000039572_100016991755 [0,2,0,0,0,0|0,0,2]=4 2001 B19R2.62010 Cc1cccc(c1OCc2ncc[nH]2)C(C)(C)C 7a_100000039572_100000753453 [0,2,0,0,0,0|0,0,2]=4 2002 B19R2.62010 Cc1cccc(c1OCc2nnn[nH]2)C(C)(C)C 34a_100000039572_100000765167 [0,2,0,0,0,0|2,0,0]=4 2003 B19R2.62010 Cc1cccc(c1OCc2nnn[nH]2)C(C)(C)C 7a_100000039572_100000765167 [0,2,0,0,0,0|2,0,0]=4 2004 B19R2.62010 FC(F)(F)c1cccc(c1OCC2=NCCN2)Br 34a_100009888968_100000737910 [0,2,0,0,0,0|2,0,0]=4 2005 B19R2.62010 FC(F)(F)c1cccc(c1OCC2=NCCN2)Br 7a_100009888968_100000737910 [0,2,0,0,0,0|2,0,0]=4 2006 B19R2.62010 FC(F)(F)c1cccc(c1OCC2=NCCN2)Cl 34a_200000076506_100000737910 [0,2,0,0,0,0|2,0,0]=4 2007 B19R2.62010 FC(F)(F)c1cccc(c1OCC2=NCCN2)Cl 7a_200000076506_100000737910 [0,2,0,0,0,0|2,0,0]=4 2008 B19R2.62010 Fc1cccc(c1OCC2=NCCN2)C(F)(F)F 34a_100000037658_100000737910 [0,2,0,0,0,0|2,0,0]=4 2009 B19R2.62010 Fc1cccc(c1OCC2=NCCN2)C(F)(F)F 7a_100000037658_100000737910 [0,2,0,0,0,0|2,0,0]=4 2010 B19R2.62010 Nc1cccc(c1OCC2=NCCN2)C(F)(F)F 34a_100000069223_100000737910 [0,2,0,0,0,0|2,0,0]=4 2011 B19R2.62010 Nc1cccc(c1OCC2=NCCN2)C(F)(F)F 7a_100000069223_100000737910 [0,2,0,0,0,0|2,0,0]=4 2012 B19R2.101608 FC(F)(F)c1c(cccc1OCC2=NCCN2)Cl 34a_100009872555_100000737910 [0,2,0,0,0,0|2,0,0]=4 2013 B19R2.101608 FC(F)(F)c1c(cccc1OCC2=NCCN2)Cl 7a_100009872555_100000737910 [0,2,0,0,0,0|2,0,0]=4 2014 B19R2.103346 CC(C)(C)c1cc(ccc1NCC2=NCCN2)Br 34a_100010286096_100000737910 [0,2,0,0,0,0|1,0,0]=3 2015 B19R2.103346 CC(C)(C)c1cc(ccc1NCC2=NCCN2)Br 7a_100010286096_100000737910 [0,2,0,0,0,0|1,0,0]=3 2016 B19R2.103346 CC(C)(C)c1cc(ccc1OCC2=NCCN2)Br 34a_100000704011_100000737910 [0,2,0,0,0,0|0,0,0]=2 2017 B19R2.103346 CC(C)(C)c1cc(ccc1OCC2=NCCN2)Br 7a_100000704011_100000737910 [0,2,0,0,0,0|0,0,0]=2 2018 B19R2.103346 CC(C)(C)c1cc(ccc1OCC2=NCCN2)Cl 34a_100012180897_100000737910 [0,2,0,0,0,0|0,0,0]=2 2019 B19R2.103346 CC(C)(C)c1cc(ccc1OCC2=NCCN2)Cl 7a_100012180897_100000737910 [0,2,0,0,0,0|0,0,0]=2 2020 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2ncc[nH]2)Br 34a_100000704011_100016991755 [0,2,0,0,0,0|0,0,2]=4 2021 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2ncc[nH]2)Br 7a_100000704011_100000753453 [0,2,0,0,0,0|0,0,2]=4 2022 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2ncc[nH]2)Cl 34a_100012180897_100016991755 [0,2,0,0,0,0|0,0,2]=4 2023 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2ncc[nH]2)Cl 7a_100012180897_100000753453 [0,2,0,0,0,0|0,0,2]=4 2024 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2nnn[nH]2)Br 34a_100000704011_100000765167 [0,2,0,0,0,0|2,0,0]=4 2025 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2nnn[nH]2)Br 7a_100000704011_100000765167 [0,2,0,0,0,0|2,0,0]=4 2026 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2nnn[nH]2)Cl 34a_100012180897_100000765167 [0,2,0,0,0,0|2,0,0]=4 2027 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2nnn[nH]2)Cl 7a_100012180897_100000765167 [0,2,0,0,0,0|2,0,0]=4 2028 B19R2.103346 CC(C)(C)c1cc(ccc1SCC2=NCCN2)O 62a_100000737910_200010201835 [0,2,0,0,0,0|0,1,0]=3 2029 B19R2.103346 CC(C)(C)c1cc(ccc1SCC2=NCCN2)O 62a_200010201835_100000737910 [0,2,0,0,0,0|0,1,0]=3 2030 B19R2.103346 CS(=O)(=O)c1cc(ccc1OCC2=NCCN2)Br 34a_200015712519_100000737910 [0,2,0,0,0,0|2,0,0]=4 2031 B19R2.103346 CS(=O)(=O)c1cc(ccc1OCC2=NCCN2)Br 7a_200015712519_100000737910 [0,2,0,0,0,0|2,0,0]=4 2032 B19R2.103346 Cc1ccc(c(c1)C(C)(C)C)OCC2=NCCN2 34a_100000211090_100000737910 [0,2,0,0,0,0|0,0,0]=2 2033 B19R2.103346 Cc1ccc(c(c1)C(C)(C)C)OCC2=NCCN2 7a_100000211090_100000737910 [0,2,0,0,0,0|0,0,0]=2 2034 B19R2.103346 Cc1ccc(c(c1)C(C)(C)C)OCc2ncc[nH]2 34a_100000211090_100016991755 [0,2,0,0,0,0|0,0,2]=4 2035 B19R2.103346 Cc1ccc(c(c1)C(C)(C)C)OCc2ncc[nH]2 7a_100000211090_100000753453 [0,2,0,0,0,0|0,0,2]=4 2036 B19R2.103346 Cc1ccc(c(c1)C(C)(C)C)OCc2nnn[nH]2 34a_100000211090_100000765167 [0,2,0,0,0,0|2,0,0]=4 2037 B19R2.103346 Cc1ccc(c(c1)C(C)(C)C)OCc2nnn[nH]2 7a_100000211090_100000765167 [0,2,0,0,0,0|2,0,0]=4 2038 B19R2.103346 Cc1ccc(c(c1)P(=O)(C)C)NCC2=NCCN2 34a_202126155009_100000737910 [0,2,0,0,0,0|2,0,0]=4 2039 B19R2.103346 Cc1ccc(c(c1)P(=O)(C)C)NCC2=NCCN2 7a_202126155009_100000737910 [0,2,0,0,0,0|2,0,0]=4 2040 B19R2.103346 FC(F)(F)c1cc(ccc1OCC2=NCCN2)Br 34a_100000693511_100000737910 [0,2,0,0,0,0|2,0,0]=4 2041 B19R2.103346 FC(F)(F)c1cc(ccc1OCC2=NCCN2)Br 7a_100000693511_100000737910 [0,2,0,0,0,0|2,0,0]=4 2042 B19R2.103346 FC(F)(F)c1cc(ccc1OCC2=NCCN2)Cl 34a_100000697227_100000737910 [0,2,0,0,0,0|2,0,0]=4 2043 B19R2.103346 FC(F)(F)c1cc(ccc1OCC2=NCCN2)Cl 7a_100000697227_100000737910 [0,2,0,0,0,0|2,0,0]=4 2044 B19R2.103346 Fc1ccc(c(c1)C(F)(F)F)OCC2=NCCN2 34a_100000036800_100000737910 [0,2,0,0,0,0|2,0,0]=4 2045 B19R2.103346 Fc1ccc(c(c1)C(F)(F)F)OCC2=NCCN2 7a_100000036800_100000737910 [0,2,0,0,0,0|2,0,0]=4 2046 B19R2.103346 Nc1ccc(c(c1)C(F)(F)F)OCC2=NCCN2 34a_100000686436_100000737910 [0,2,0,0,0,0|2,0,0]=4 2047 B19R2.103346 Nc1ccc(c(c1)C(F)(F)F)OCC2=NCCN2 7a_100000686436_100000737910 [0,2,0,0,0,0|2,0,0]=4 2048 B19R2.103463 CC(C)(C)c1ccc(cc1NCC2=NCCN2)Cl 34a_100000728049_100000737910 [0,2,0,0,0,0|1,0,0]=3 2049 B19R2.103463 CC(C)(C)c1ccc(cc1NCC2=NCCN2)Cl 7a_100000728049_100000737910 [0,2,0,0,0,0|1,0,0]=3 2050 B19R2.103463 CC(C)(C)c1ccc(cc1SCC2=NCCN2)N 62a_100000737910_100010219255 [0,2,0,0,0,0|0,1,0]=3 2051 B19R2.103463 CC(C)(C)c1ccc(cc1SCC2=NCCN2)N 62a_100010219255_100000737910 [0,2,0,0,0,0|0,1,0]=3 2052 B19R2.103463 CC(F)(F)c1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100010244463 [0,2,0,0,0,0|1,1,0]=4 2053 B19R2.103463 CC(F)(F)c1ccc(cc1SCC2=NCCN2)F 62a_100010244463_100000737910 [0,2,0,0,0,0|1,1,0]=4 2054 B19R2.103463 Cc1ccc(c(c1)OCC2=NCCN2)C(C)(C)C 34a_100000212021_100000737910 [0,2,0,0,0,0|0,0,0]=2 2055 B19R2.103463 Cc1ccc(c(c1)OCC2=NCCN2)C(C)(C)C 7a_100000212021_100000737910 [0,2,0,0,0,0|0,0,0]=2 2056 B19R2.103463 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)(C)C 34a_100000212021_100016991755 [0,2,0,0,0,0|0,0,2]=4 2057 B19R2.103463 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)(C)C 7a_100000212021_100000753453 [0,2,0,0,0,0|0,0,2]=4 2058 B19R2.103463 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)(C)C 34a_100000212021_100000765167 [0,2,0,0,0,0|2,0,0]=4 2059 B19R2.103463 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)(C)C 7a_100000212021_100000765167 [0,2,0,0,0,0|2,0,0]=4 2060 B19R2.103463 FC(F)(F)c1ccc(cc1OCC2=NCCN2)Br 34a_100000689231_100000737910 [0,2,0,0,0,0|2,0,0]=4 2061 B19R2.103463 FC(F)(F)c1ccc(cc1OCC2=NCCN2)Br 7a_100000689231_100000737910 [0,2,0,0,0,0|2,0,0]=4 2062 B19R2.103463 FC(F)(F)c1ccc(cc1OCC2=NCCN2)Cl 34a_200000104216_100000737910 [0,2,0,0,0,0|2,0,0]=4 2063 B19R2.103463 FC(F)(F)c1ccc(cc1OCC2=NCCN2)Cl 7a_200000104216_100000737910 [0,2,0,0,0,0|2,0,0]=4 2064 B19R2.103463 Fc1ccc(c(c1)OCC2=NCCN2)C(F)(F)F 34a_100000037662_100000737910 [0,2,0,0,0,0|2,0,0]=4 2065 B19R2.103463 Fc1ccc(c(c1)OCC2=NCCN2)C(F)(F)F 7a_100000037662_100000737910 [0,2,0,0,0,0|2,0,0]=4 2066 B19R2.45043 CC(C)c1cc(ccc1OCc2n[nH]c(=O)[nH]2)Br 7a_100000691460_100000754189 [0,2,0,0,0,0|1,0,1]=4 2067 B19R2.45048 Cc1ccc(c(c1)OCc2n[nH]c(=O)[nH]2)C(C)C 7a_100000185798_100000754189 [0,2,0,0,0,0|1,0,1]=4 2068 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100000212130_100000737910 [0,2,0,0,0,0|1,0,1]=4 2069 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)Br)C 7a_100011659362_100000737910 [0,2,0,0,0,0|1,0,1]=4 2070 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)Br)Cl 7a_100011218835_100000737910 [0,2,0,0,0,0|1,0,1]=4 2071 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)C)C 34a_100000188341_100000737910 [0,2,0,0,0,0|1,0,1]=4 2072 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)C)C 7a_100000188341_100000737910 [0,2,0,0,0,0|1,0,1]=4 2073 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)Cl)C 34a_100010659243_100000737910 [0,2,0,0,0,0|1,0,1]=4 2074 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)Cl)C 7a_100010659243_100000737910 [0,2,0,0,0,0|1,0,1]=4 2075 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)Cl)Cl 7a_100000182809_100000737910 [0,2,0,0,0,0|1,0,1]=4 2076 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)Cl)F 34a_100011659368_100000737910 [0,2,0,0,0,0|1,0,1]=4 2077 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)Cl)F 7a_100011659368_100000737910 [0,2,0,0,0,0|1,0,1]=4 2078 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)F)F 34a_100000751779_100000737910 [0,2,0,0,0,0|1,0,1]=4 2079 B19R2.229122 CC(=O)c1cc(cc(c1OCC2=NCCN2)F)F 7a_100000751779_100000737910 [0,2,0,0,0,0|1,0,1]=4 2080 B19R2.229122 CC(C)c1cc(cc(c1NCC2=NCCN2)Br)Br 34a_200010244484_100000737910 [0,2,0,0,0,0|1,0,0]=3 2081 B19R2.229122 CC(C)c1cc(cc(c1NCC2=NCCN2)Br)Br 7a_200010244484_100000737910 [0,2,0,0,0,0|1,0,0]=3 2082 B19R2.229122 CC(C)c1cc(cc(c1NCC2=NCCN2)Br)F 34a_202125602415_100000737910 [0,2,0,0,0,0|1,0,0]=3 2083 B19R2.229122 CC(C)c1cc(cc(c1NCC2=NCCN2)Br)F 7a_202125602415_100000737910 [0,2,0,0,0,0|1,0,0]=3 2084 B19R2.17415 CC(=O)c1c(cc(cc1OCC2=NCCN2)Br)F 34a_100010734142_100000737910 [0,2,0,0,0,0|1,0,1]=4 2085 B19R2.17415 CC(=O)c1c(cc(cc1OCC2=NCCN2)Br)F 7a_100010734142_100000737910 [0,2,0,0,0,0|1,0,1]=4 2086 B19R2.17415 CC(=O)c1c(cc(cc1OCC2=NCCN2)Cl)F 34a_100009859732_100000737910 [0,2,0,0,0,0|1,0,1]=4 2087 B19R2.17415 CC(=O)c1c(cc(cc1OCC2=NCCN2)Cl)F 7a_100009859732_100000737910 [0,2,0,0,0,0|1,0,1]=4 2088 B19R2.190797 CC(C)c1c(cccc1OCC2=NCCN2)C#N 34a_200009867358_100000737910 [0,2,0,0,0,0|0,0,0]=2 2089 B19R2.190797 CC(C)c1c(cccc1OCC2=NCCN2)C#N 7a_200009867358_100000737910 [0,2,0,0,0,0|0,0,0]=2 2090 B19R2.190797 CC(C)c1c(cccc1OCc2ncc[nH]2)C#N 34a_200009867358_100016991755 [0,2,0,0,0,0|0,0,2]=4 2091 B19R2.190797 CC(C)c1c(cccc1OCc2ncc[nH]2)C#N 7a_200009867358_100000753453 [0,2,0,0,0,0|0,0,2]=4 2092 B19R2.190797 CC(C)c1c(cccc1OCc2nnn[nH]2)C#N 34a_200009867358_100000765167 [0,2,0,0,0,0|2,0,0]=4 2093 B19R2.190797 CC(C)c1c(cccc1OCc2nnn[nH]2)C#N 7a_200009867358_100000765167 [0,2,0,0,0,0|2,0,0]=4 2094 B19R2.190797 COc1cccc(c1C(=O)C)OCC2=NCCN2 34a_100000691520_100000737910 [0,2,0,0,0,0|1,0,1]=4 2095 B19R2.190797 COc1cccc(c1C(=O)C)OCC2=NCCN2 7a_100000691520_100000737910 [0,2,0,0,0,0|1,0,1]=4 2096 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Br)C 34a_100009816031_100000737910 [0,2,0,0,0,0|1,0,1]=4 2097 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Br)C 7a_100009816031_100000737910 [0,2,0,0,0,0|1,0,1]=4 2098 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Br)F 34a_200010245088_100000737910 [0,2,0,0,0,0|1,0,1]=4 2099 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Br)F 7a_200010245088_100000737910 [0,2,0,0,0,0|1,0,1]=4 2100 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)Br 34a_200010233951_100000737910 [0,2,0,0,0,0|1,0,1]=4 2101 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)Br 7a_200010233951_100000737910 [0,2,0,0,0,0|1,0,1]=4 2102 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)C 34a_100000014572_100000737910 [0,2,0,0,0,0|1,0,1]=4 2103 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)C 7a_100000014572_100000737910 [0,2,0,0,0,0|1,0,1]=4 2104 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)Cl 34a_100000014566_100000737910 [0,2,0,0,0,0|1,0,1]=4 2105 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)C)Cl 7a_100000014566_100000737910 [0,2,0,0,0,0|1,0,1]=4 2106 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Cl)Cl 34a_100000720105_100000737910 [0,2,0,0,0,0|1,0,1]=4 2107 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)Cl)Cl 7a_100000720105_100000737910 [0,2,0,0,0,0|1,0,1]=4 2108 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)F)Br 34a_100000691652_100000737910 [0,2,0,0,0,0|1,0,1]=4 2109 B19R2.102876 CC(=O)c1cc(c(cc1OCC2=NCCN2)F)Br 7a_100000691652_100000737910 [0,2,0,0,0,0|1,0,1]=4 2110 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCC2=NCCN2 34a_100000211603_100000737910 [0,2,0,0,0,0|0,0,0]=2 2111 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCC2=NCCN2 7a_100000211603_100000737910 [0,2,0,0,0,0|0,0,0]=2 2112 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ncc[nH]2 34a_100000211603_100016991755 [0,2,0,0,0,0|0,0,2]=4 2113 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ncc[nH]2 7a_100000211603_100000753453 [0,2,0,0,0,0|0,0,2]=4 2114 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2nnn[nH]2 34a_100000211603_100000765167 [0,2,0,0,0,0|2,0,0]=4 2115 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2nnn[nH]2 7a_100000211603_100000765167 [0,2,0,0,0,0|2,0,0]=4 2116 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCC2=NCCN2 34a_100000686282_100000737910 [0,2,0,0,0,0|0,0,0]=2 2117 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCC2=NCCN2 7a_100000686282_100000737910 [0,2,0,0,0,0|0,0,0]=2 2118 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ncc[nH]2 34a_100000686282_100016991755 [0,2,0,0,0,0|0,0,2]=4 2119 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2ncc[nH]2 7a_100000686282_100000753453 [0,2,0,0,0,0|0,0,2]=4 2120 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2nnn[nH]2 34a_100000686282_100000765167 [0,2,0,0,0,0|2,0,0]=4 2121 B19R2.102876 Cc1cc(c(cc1N)C(C)C)OCc2nnn[nH]2 7a_100000686282_100000765167 [0,2,0,0,0,0|2,0,0]=4 2122 B19R2.195451 CC(=O)c1cc(ccc1OCC2=NCCN2)C#N 34a_100000074817_100000737910 [0,2,0,0,0,0|1,0,1]=4 2123 B19R2.195451 CC(=O)c1cc(ccc1OCC2=NCCN2)C#N 7a_100000074817_100000737910 [0,2,0,0,0,0|1,0,1]=4 2124 B19R2.195451 CC(C)c1cc(ccc1SCC2=NCCN2)C#N 62a_100000737910_100021510006 [0,2,0,0,0,0|0,1,0]=3 2125 B19R2.195451 CCc1ccc(c(c1)C(=O)C)OCC2=NCCN2 34a_100000230022_100000737910 [0,2,0,0,0,0|1,0,1]=4 2126 B19R2.195451 CCc1ccc(c(c1)C(=O)C)OCC2=NCCN2 7a_100000230022_100000737910 [0,2,0,0,0,0|1,0,1]=4 2127 B19R2.195451 COc1ccc(c(c1)C(=O)C)OCC2=NCCN2 34a_100000211518_100000737910 [0,2,0,0,0,0|1,0,1]=4 2128 B19R2.195451 COc1ccc(c(c1)C(=O)C)OCC2=NCCN2 7a_100000211518_100000737910 [0,2,0,0,0,0|1,0,1]=4 2129 B19R2.195451 COc1ccc(c(c1)C(C)C)OCC2=NCCN2 34a_100011998526_100000737910 [0,2,0,0,0,0|0,0,0]=2 2130 B19R2.195451 COc1ccc(c(c1)C(C)C)OCC2=NCCN2 7a_100011998526_100000737910 [0,2,0,0,0,0|0,0,0]=2 2131 B19R2.195451 COc1ccc(c(c1)C(C)C)OCc2ncc[nH]2 34a_100011998526_100016991755 [0,2,0,0,0,0|0,0,2]=4 2132 B19R2.195451 COc1ccc(c(c1)C(C)C)OCc2ncc[nH]2 7a_100011998526_100000753453 [0,2,0,0,0,0|0,0,2]=4 2133 B19R2.195451 COc1ccc(c(c1)C(C)C)OCc2nnn[nH]2 34a_100011998526_100000765167 [0,2,0,0,0,0|2,0,0]=4 2134 B19R2.195451 COc1ccc(c(c1)C(C)C)OCc2nnn[nH]2 7a_100011998526_100000765167 [0,2,0,0,0,0|2,0,0]=4 2135 B19R2.195451 COc1ccc(c(c1)[C@H](C)N)SCC2=NCCN2 62a_100000737910_200015425320 [0,2,0,0,0,0|1,1,0]=4 2136 B19R2.195451 COc1ccc(c(c1)[C@H](C)N)SCC2=NCCN2 62a_200015425320_100000737910 [0,2,0,0,0,0|1,1,0]=4 2137 B19R2.195890 CN(C)c1ccc(cc1SCC2=NCCN2)C=O 62a_100000737910_200011298039 [0,2,0,0,0,0|1,1,0]=4 2138 B19R2.195890 CN(C)c1ccc(cc1SCC2=NCCN2)C=O 62a_200011298039_100000737910 [0,2,0,0,0,0|1,1,0]=4 2139 B19R2.195890 COc1ccc(c(c1)NCC2=NCCN2)C(C)C 34a_100009963057_100000737910 [0,2,0,0,0,0|1,0,0]=3 2140 B19R2.195890 COc1ccc(c(c1)NCC2=NCCN2)C(C)C 7a_100009963057_100000737910 [0,2,0,0,0,0|1,0,0]=3 2141 B19R2.195890 COc1ccc(c(c1)OCC2=NCCN2)C(=O)C 34a_100000185565_100000737910 [0,2,0,0,0,0|1,0,1]=4 2142 B19R2.195890 COc1ccc(c(c1)OCC2=NCCN2)C(=O)C 7a_100000185565_100000737910 [0,2,0,0,0,0|1,0,1]=4 2143 B19R2.195890 COc1ccc(c(c1)SCC2=NCCN2)C(C)O 62a_100000697252_100000737910 [0,2,0,0,0,0|1,1,0]=4 2144 B19R2.195890 COc1ccc(c(c1)SCC2=NCCN2)C(C)O 62a_100000737910_100000697252 [0,2,0,0,0,0|1,1,0]=4 2145 B17R2.5618 CC(C)c1ccccc1OC2C=CCCC2 7a_100000211617_100000751183 [0,0,1,1,0,0|2,0,0]=4 2146 B17R2.45243 CC(C)c1ccccc1OCCNC2CC2 34a_100000754683_100000211595 [0,0,1,1,0,0|1,0,1]=4 2147 B17R2.45242 CC(C)c1ccccc1OCC(=O)C2CC2 34a_100000211617_100000746382 [0,0,1,1,0,0|2,0,0]=4 2148 B17R2.45242 CC(C)c1ccccc1OCC(=O)C2CC2 7a_100000211617_100000746382 [0,0,1,1,0,0|2,0,0]=4 2149 B17R2.49594 CCNC(=O)CNc1ccccc1C2CC2 34a_100011236190_100000183381 [0,0,1,1,0,0|2,0,0]=4 2150 B17R2.49594 CCNC(=O)CSc1ccccc1C2CC2 62a_100000183381_100009819954 [0,0,1,1,0,0|1,1,0]=4 2151 B17R2.49594 CCNC(=O)CSc1ccccc1C2CC2 62a_100009819954_100000183381 [0,0,1,1,0,0|1,1,0]=4 2152 B17R2.49594 CCOC(=O)COc1ccccc1C2CC2 271570a_100011220607_100000174061 [0,0,1,1,0,0|2,0,0]=4 2153 B17R3.21047 c1cc(c(s1)SCC2=NCCN2)C3CC3 62a_100000737910_100010071141 [0,0,0,1,1,0|1,1,0]=4 2154 B17R3.21047 c1cc(c(s1)SCC2=NCCN2)C3CC3 62a_100010071141_100000737910 [0,0,0,1,1,0|1,1,0]=4 2155 B19R3.62427 c1ccc(c(c1)CNCC2=NCCN2)C3CC3 34a_100020678745_100000737910 [0,0,0,1,0,1|1,0,0]=3 2156 B19R3.62427 c1ccc(c(c1)COCC2=NCCN2)C3CC3 34a_100012675891_100000737910 [0,0,0,1,0,1|0,0,0]=2 2157 B19R3.62427 c1ccc(c(c1)COCC2=NCCN2)C3CC3 7a_100012675891_100000737910 [0,0,0,1,0,1|0,0,0]=2 2158 B19R3.62427 c1ccc(c(c1)COCc2ncc[nH]2)C3CC3 34a_100012675891_100016991755 [0,0,0,1,0,1|0,0,2]=4 2159 B19R3.62427 c1ccc(c(c1)COCc2ncc[nH]2)C3CC3 7a_100012675891_100000753453 [0,0,0,1,0,1|0,0,2]=4 2160 B19R3.62427 c1ccc(c(c1)COCc2nnn[nH]2)C3CC3 34a_100012675891_100000765167 [0,0,0,1,0,1|2,0,0]=4 2161 B19R3.62427 c1ccc(c(c1)COCc2nnn[nH]2)C3CC3 7a_100012675891_100000765167 [0,0,0,1,0,1|2,0,0]=4 2162 B19R3.171666 CC1CN(Cc2c1cccc2)CC3=NCCN3 269982a_100015190047_100000737910 [0,0,0,1,0,1|1,0,0]=3 2163 B19R3.171666 CC1CN(Cc2c1cccc2)CC3=NCCN3 34a_100015190047_100000737910 [0,0,0,1,0,1|1,0,0]=3 2164 B19R3.9758 CC1Cc2cccc(c2O1)NCC3=NCCN3 34a_100000124160_100000737910 [0,0,0,1,0,1|1,0,0]=3 2165 B19R3.9758 Cc1cc2c(cccc2[nH]1)OCC3=NCCN3 34a_200000059750_100000737910 [0,0,0,1,0,1|1,0,1]=4 2166 B19R3.9758 Cn1cc2c(cccc2n1)OCC3=NCCN3 34a_100000106842_100000737910 [0,0,0,1,0,1|2,0,0]=4 2167 B19R3.9758 OC1Cc2cccc(c2C1)SCC3=NCCN3 62a_100000737910_100010752598 [0,0,0,1,0,1|1,1,0]=4 2168 B19R3.9758 OC1Cc2cccc(c2C1)SCC3=NCCN3 62a_100010752598_100000737910 [0,0,0,1,0,1|1,1,0]=4 2169 B19R3.62399 c1ccc(c(c1)OC2CC2)SCC3=NCCN3 62a_100000737910_100012344913 [0,0,0,1,0,1|0,1,0]=3 2170 B19R3.62399 c1ccc(c(c1)OC2CC2)SCC3=NCCN3 62a_100012344913_100000737910 [0,0,0,1,0,1|0,1,0]=3 2171 B19R3.59890 NC1(CC1)c2ccccc2SCC3=NCCN3 62a_100000737910_200000691159 [0,1,0,1,0,0|0,1,0]=3 2172 B19R3.59890 NC1(CC1)c2ccccc2SCC3=NCCN3 62a_200000691159_100000737910 [0,1,0,1,0,0|0,1,0]=3 2173 B19R3.2417404 NC1CCc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100103168669 [0,1,0,1,0,0|1,1,0]=4 2174 B19R3.2417404 NC1CCc2c1c(ccc2)SCC3=NCCN3 62a_100103168669_100000737910 [0,1,0,1,0,0|1,1,0]=4 2175 B19R3.2417404 O=C1CCc2c1c(ccc2)OCC3=NCCN3 34a_100000066596_100000737910 [0,1,0,1,0,0|1,0,1]=4 2176 B19R3.2417404 O=C1CCc2c1c(ccc2)OCC3=NCCN3 7a_100000066596_100000737910 [0,1,0,1,0,0|1,0,1]=4 2177 B19R3.2417404 O=C1COc2c1c(ccc2)OCC3=NCCN3 34a_200009856558_100000737910 [0,1,0,1,0,0|1,0,1]=4 2178 B19R3.2417404 OC1CSc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_200010991195 [0,1,0,1,0,0|1,1,0]=4 2179 B19R3.2417404 OC1CSc2c1c(ccc2)SCC3=NCCN3 62a_200010991195_100000737910 [0,1,0,1,0,0|1,1,0]=4 2180 B19R3.327209 Brc1cccc(c1OCC2=NCCN2)C3CC3 34a_100010664954_100000737910 [0,1,0,1,0,0|0,0,0]=2 2181 B19R3.327209 Brc1cccc(c1OCC2=NCCN2)C3CC3 7a_100010664954_100000737910 [0,1,0,1,0,0|0,0,0]=2 2182 B19R3.327209 Brc1cccc(c1OCc2ncc[nH]2)C3CC3 34a_100010664954_100016991755 [0,1,0,1,0,0|0,0,2]=4 2183 B19R3.327209 Brc1cccc(c1OCc2ncc[nH]2)C3CC3 7a_100010664954_100000753453 [0,1,0,1,0,0|0,0,2]=4 2184 B19R3.327209 Brc1cccc(c1OCc2nnn[nH]2)C3CC3 34a_100010664954_100000765167 [0,1,0,1,0,0|2,0,0]=4 2185 B19R3.327209 Brc1cccc(c1OCc2nnn[nH]2)C3CC3 7a_100010664954_100000765167 [0,1,0,1,0,0|2,0,0]=4 2186 B19R3.327209 Fc1cccc(c1OCC2=NCCN2)C3CC3 34a_100010673447_100000737910 [0,1,0,1,0,0|0,0,0]=2 2187 B19R3.327209 Fc1cccc(c1OCC2=NCCN2)C3CC3 7a_100010673447_100000737910 [0,1,0,1,0,0|0,0,0]=2 2188 B19R3.327209 Fc1cccc(c1OCc2ncc[nH]2)C3CC3 34a_100010673447_100016991755 [0,1,0,1,0,0|0,0,2]=4 2189 B19R3.327209 Fc1cccc(c1OCc2ncc[nH]2)C3CC3 7a_100010673447_100000753453 [0,1,0,1,0,0|0,0,2]=4 2190 B19R3.327209 Fc1cccc(c1OCc2nnn[nH]2)C3CC3 34a_100010673447_100000765167 [0,1,0,1,0,0|2,0,0]=4 2191 B19R3.327209 Fc1cccc(c1OCc2nnn[nH]2)C3CC3 7a_100010673447_100000765167 [0,1,0,1,0,0|2,0,0]=4 2192 B19R3.182531 Fc1cccc(c1C2CC2)NCC3=NCCN3 34a_100114072990_100000737910 [0,1,0,1,0,0|1,0,0]=3 2193 B19R3.182531 Fc1cccc(c1C2CC2)NCC3=NCCN3 7a_100114072990_100000737910 [0,1,0,1,0,0|1,0,0]=3 2194 B19R3.182531 Fc1cccc(c1C2CC2)SCC3=NCCN3 62a_100000737910_100010780639 [0,1,0,1,0,0|0,1,0]=3 2195 B19R3.182531 Fc1cccc(c1C2CC2)SCC3=NCCN3 62a_100010780639_100000737910 [0,1,0,1,0,0|0,1,0]=3 2196 B19R3.60243 Ic1ccc(c(c1)C2CC2)NCC3=NCCN3 34a_100010997530_100000737910 [0,1,0,1,0,0|1,0,0]=3 2197 B19R3.60243 Ic1ccc(c(c1)C2CC2)NCC3=NCCN3 7a_100010997530_100000737910 [0,1,0,1,0,0|1,0,0]=3 2198 B19R3.60243 Nc1ccc(c(c1)C2CC2)SCC3=NCCN3 62a_100000737910_100010281208 [0,1,0,1,0,0|0,1,0]=3 2199 B19R3.60243 Nc1ccc(c(c1)C2CC2)SCC3=NCCN3 62a_100010281208_100000737910 [0,1,0,1,0,0|0,1,0]=3 2200 B19R3.541241 Fc1ccc(c(c1)NCC2=NCCN2)C3CC3 34a_102515433052_100000737910 [0,1,0,1,0,0|1,0,0]=3 2201 B19R3.541241 Fc1ccc(c(c1)NCC2=NCCN2)C3CC3 7a_102515433052_100000737910 [0,1,0,1,0,0|1,0,0]=3 2202 B15R1.1274 CCNC(=O)Nc1ccccc1C(C)C 2430a_100000210643_100015525214 [0,0,1,0,1,0|2,0,0]=4 2203 B15R2.1787 CCc1ccsc1SCC2=NCCN2 62a_100000737910_200009875468 [1,0,0,0,1,0|1,1,0]=4 2204 B15R2.1787 CCc1ccsc1SCC2=NCCN2 62a_200009875468_100000737910 [1,0,0,0,1,0|1,1,0]=4 2205 B15R2.1787 CCc1cscc1SCC2=NCCN2 62a_100000737910_100011068457 [1,0,0,0,1,0|1,1,0]=4 2206 B15R2.1787 CCc1cscc1SCC2=NCCN2 62a_100011068457_100000737910 [1,0,0,0,1,0|1,1,0]=4 2207 B15R2.1787 CCn1nccc1OCC2=NCCN2 34a_100012181048_100000737910 [1,0,0,0,1,0|2,0,0]=4 2208 B15R2.4953 CCc1ccccc1OCC2CCC2 34a_100000210936_100000763275 [1,0,0,0,1,0|1,0,1]=4 2209 B15R2.4953 CCc1ccccc1OCC2CCC2 7a_100000210936_100000763275 [1,0,0,0,1,0|1,0,1]=4 2210 B15R2.4953 CCc1ccccc1OCC2CCO2 34a_100000210936_100000103362 [1,0,0,0,1,0|1,0,1]=4 2211 B15R2.4953 CCc1ccccc1OCC2CCO2 7a_100000210936_100000103362 [1,0,0,0,1,0|1,0,1]=4 2212 B15R2.1221 CC(C)c1ccccc1C2=CCCC2 271570a_100000089523_100011218076 [0,0,0,0,2,0|2,0,0]=4 2213 B15R2.1221 CC(C)c1ccccc1c2ncc[nH]2 271570a_100011218925_100025796157 [0,0,0,0,2,0|0,0,2]=4 2214 B15R2.1221 CC(C)c1ccccc1c2ncc[nH]2 271570a_100016988920_100011218076 [0,0,0,0,2,0|0,0,2]=4 2215 B15R2.16320 CC(C)c1ccccc1CN2CCC2 26a_100000754969_100000211617 [0,0,0,0,2,0|2,0,0]=4 2216 B15R2.16320 CC(C)c1ccccc1OC2CCC2 34a_100000211617_100000749161 [0,0,0,0,2,0|1,0,1]=4 2217 B15R2.16319 CC(C)c1ccccc1NCC2CC2 2230a_100000210643_100000742324 [0,0,0,0,2,0|1,0,1]=4 2218 B15R2.16319 CC(C)c1ccccc1NCC2CC2 34a_100000210643_100000742324 [0,0,0,0,2,0|1,0,1]=4 2219 B15R2.16319 CC(C)c1ccccc1NCC2CC2 7a_100000210643_100000742324 [0,0,0,0,2,0|1,0,1]=4 2220 B15R2.16319 CC(C)c1ccccc1OCC2CC2 34a_100000211617_100000742324 [0,0,0,0,2,0|0,0,1]=3 2221 B15R2.16319 CC(C)c1ccccc1OCC2CC2 7a_100000211617_100000742324 [0,0,0,0,2,0|0,0,1]=3 2222 B15R2.16319 CC(C)c1ccccc1OCC2CO2 34a_100000211617_102125554688 [0,0,0,0,2,0|1,0,1]=4 2223 B15R2.16319 CC(C)c1ccccc1OCC2CO2 7a_100000211617_102125554688 [0,0,0,0,2,0|1,0,1]=4 2224 B15R2.16319 CC(C)c1ccccc1OCC2CS2 7a_100000211617_100000031435 [0,0,0,0,2,0|1,0,1]=4 2225 B15R2.16319 CC(C)c1ccccc1OC[C@@H]2CO2 7a_100000211617_100000745022 [0,0,0,0,2,0|1,0,1]=4 2226 B15R2.16319 CC(C)c1ccccc1SCC2CC2 62a_100000708600_100000742324 [0,0,0,0,2,0|0,1,1]=4 2227 B15R2.16319 CC(C)c1ccccc1SCC2CC2 62a_100000756562_100000708600 [0,0,0,0,2,0|0,1,1]=4 2228 B15R2.16319 CC(C)c1ncccc1OCC2CC2 34a_100012183336_100000742324 [0,0,0,0,2,0|1,0,1]=4 2229 B15R2.16319 CC(C)c1ncccc1OCC2CC2 7a_100012183336_100000742324 [0,0,0,0,2,0|1,0,1]=4 2230 B15R2.16319 CC(O)c1ccccc1OCC2CC2 34a_200011232679_100000742324 [0,0,0,0,2,0|1,0,1]=4 2231 B15R2.16319 CC(O)c1ccccc1OCC2CC2 7a_200011232679_100000742324 [0,0,0,0,2,0|1,0,1]=4 2232 B15R2.16319 C[C@@H](N)c1ccccc1OCC2CC2 34a_100025703389_100000742324 [0,0,0,0,2,0|1,0,1]=4 2233 B17R1.4154 CC(C)Oc1ccccc1OCCNCCF 34a_100000724931_200000069109 [0,0,1,0,0,1|1,0,1]=4 2234 B17R1.4154 CC(C)Oc1ccccc1OCCNCCO 2230a_100016997473_200000069109 [0,0,1,0,0,1|1,0,1]=4 2235 B17R1.4154 CC(C)Oc1ccccc1OCCNCCO 34a_100016990907_200000069109 [0,0,1,0,0,1|1,0,1]=4 2236 B17R1.4154 CC(C)Oc1ccccc1OCCOCCN 34a_100000210304_200000069109 [0,0,1,0,0,1|1,0,1]=4 2237 B17R1.4856 CC(C)Oc1ccccc1OCC(=O)NCO 34a_100011218612_100000185155 [0,0,1,0,0,1|2,0,0]=4 2238 B17R1.4856 CC(C)Oc1ccccc1OCC(=O)NCO 7a_100011218612_100000185155 [0,0,1,0,0,1|2,0,0]=4 2239 B17R1.4856 CCCC(=O)COc1ccccc1OC(C)C 7a_100011218612_100000747444 [0,0,1,0,0,1|2,0,0]=4 2240 B17R1.4856 CCNC(=O)CNc1ccccc1OC(C)C 2230a_100000739276_100000183381 [0,0,1,0,0,1|2,0,0]=4 2241 B17R1.4856 CCNC(=O)CNc1ccccc1OC(C)C 34a_100000739276_100000183381 [0,0,1,0,0,1|2,0,0]=4 2242 B17R1.4856 CCNC(=O)CNc1ccccc1SC(C)C 2230a_100000688217_100000183381 [0,0,1,0,0,1|2,0,0]=4 2243 B17R1.4856 CCNC(=O)CNc1ccccc1SC(C)C 34a_100000688217_100000183381 [0,0,1,0,0,1|2,0,0]=4 2244 B17R1.4856 CCNC(=O)COc1ccccc1OC(C)C 34a_100011218612_100000183381 [0,0,1,0,0,1|1,0,0]=3 2245 B17R1.4856 CCNC(=O)COc1ccccc1OC(C)C 7a_100011218612_100000183381 [0,0,1,0,0,1|1,0,0]=3 2246 B17R1.4856 CCNC(=O)CSc1ccccc1NC(C)C 62a_100000183381_100000219599 [0,0,1,0,0,1|1,1,0]=4 2247 B17R1.4856 CCNC(=O)CSc1ccccc1NC(C)C 62a_100000219599_100000183381 [0,0,1,0,0,1|1,1,0]=4 2248 B17R1.4856 CCNC(=O)CSc1ccccc1OC(C)C 62a_100000173919_100000183381 [0,0,1,0,0,1|1,1,0]=4 2249 B17R1.4856 CCNC(=O)CSc1ccccc1OC(C)C 62a_100000183381_100000173919 [0,0,1,0,0,1|1,1,0]=4 2250 B17R1.4856 CCOC(=O)COc1ccccc1OC(C)C 34a_100011218612_100000188475 [0,0,1,0,0,1|2,0,0]=4 2251 B17R1.4856 CCOC(=O)COc1ccccc1OC(C)C 7a_100000182178_100000210206 [0,0,1,0,0,1|2,0,0]=4 2252 B17R1.4856 CCOC(=O)COc1ccccc1OC(C)C 7a_100011218612_100000188475 [0,0,1,0,0,1|2,0,0]=4 2253 B17R1.4856 CCOC(=O)COc1ccccc1SC(C)C 62a_100000174061_100000210206 [0,0,1,0,0,1|2,0,0]=4 2254 B17R1.4856 CCOC(=O)COc1ccccc1SC(C)C 62a_100000210206_100000174061 [0,0,1,0,0,1|2,0,0]=4 2255 B17R2.2739 BrCc1ccccc1COCC2=NCCN2 34a_100009816955_100000737910 [1,0,0,0,0,1|1,0,0]=3 2256 B17R2.2739 BrCc1ccccc1COCC2=NCCN2 7a_100009816955_100000737910 [1,0,0,0,0,1|1,0,0]=3 2257 B17R2.2739 C#Cc1ccccc1COCC2=NCCN2 34a_100000054652_100000737910 [1,0,0,0,0,1|0,0,2]=4 2258 B17R2.2739 C#Cc1ccccc1COCC2=NCCN2 7a_100000054652_100000737910 [1,0,0,0,0,1|0,0,2]=4 2259 B17R2.2739 C=Cc1ccccc1COCC2=NCCN2 34a_200010883148_100000737910 [1,0,0,0,0,1|0,0,2]=4 2260 B17R2.2739 C=Cc1ccccc1COCC2=NCCN2 7a_200010883148_100000737910 [1,0,0,0,0,1|0,0,2]=4 2261 B17R2.2739 CCc1ccccc1COCC2=NCCN2 34a_100011663872_100000737910 [1,0,0,0,0,1|0,0,0]=2 2262 B17R2.2739 CCc1ccccc1COCC2=NCCN2 7a_100011663872_100000737910 [1,0,0,0,0,1|0,0,0]=2 2263 B17R2.2739 CCc1ccccc1COCc2ncc[nH]2 34a_100011663872_100016991755 [1,0,0,0,0,1|0,0,2]=4 2264 B17R2.2739 CCc1ccccc1COCc2ncc[nH]2 7a_100011663872_100000753453 [1,0,0,0,0,1|0,0,2]=4 2265 B17R2.2739 CCc1ccccc1COCc2nnn[nH]2 34a_100011663872_100000765167 [1,0,0,0,0,1|2,0,0]=4 2266 B17R2.2739 CCc1ccccc1COCc2nnn[nH]2 7a_100011663872_100000765167 [1,0,0,0,0,1|2,0,0]=4 2267 B17R2.2739 CCc1ccccc1OCCc2nnn[nH]2 7a_100000210936_100000031946 [1,0,0,0,0,1|2,0,0]=4 2268 B17R2.2739 COc1ccccc1CNCC2=NCCN2 34a_100000188900_100000737910 [1,0,0,0,0,1|2,0,0]=4 2269 B17R2.2739 COc1ccccc1COCC2=NCCN2 34a_100000211301_100000737910 [1,0,0,0,0,1|1,0,0]=3 2270 B17R2.2739 COc1ccccc1CSCC2=NCCN2 62a_100000210004_100000737910 [1,0,0,0,0,1|1,1,0]=4 2271 B17R2.2739 COc1ccccc1CSCC2=NCCN2 62a_100000737910_100000210004 [1,0,0,0,0,1|1,1,0]=4 2272 B17R2.2739 COc1cccnc1COCC2=NCCN2 34a_100011998681_100000737910 [1,0,0,0,0,1|2,0,0]=4 2273 B17R2.2739 COc1ncccc1COCC2=NCCN2 34a_100000717863_100000737910 [1,0,0,0,0,1|2,0,0]=4 2274 B17R2.2739 CSc1ccccc1CNCC2=NCCN2 34a_102495365025_100000737910 [1,0,0,0,0,1|2,0,0]=4 2275 B17R2.2739 CSc1ccccc1COCC2=NCCN2 34a_100000699167_100000737910 [1,0,0,0,0,1|1,0,0]=3 2276 B17R2.2739 CSc1ccccc1CSCC2=NCCN2 62a_100000699184_100000737910 [1,0,0,0,0,1|1,1,0]=4 2277 B17R2.2739 CSc1ccccc1CSCC2=NCCN2 62a_100000737910_100000699184 [1,0,0,0,0,1|1,1,0]=4 2278 B17R2.2739 N#Cc1ccccc1COCC2=NCCN2 34a_200011269968_100000737910 [1,0,0,0,0,1|1,0,1]=4 2279 B17R2.2739 N#Cc1ccccc1COCC2=NCCN2 7a_200011269968_100000737910 [1,0,0,0,0,1|1,0,1]=4 2280 B17R2.2739 NCc1ccccc1COCC2=NCCN2 34a_100000743596_100000737910 [1,0,0,0,0,1|1,0,0]=3 2281 B17R2.2739 OCc1ccccc1CSCC2=NCCN2 62a_100000737910_100009816955 [1,0,0,0,0,1|1,1,0]=4 2282 B17R2.2739 OCc1ccccc1CSCC2=NCCN2 62a_100009816955_100000737910 [1,0,0,0,0,1|1,1,0]=4 2283 B17R2.5660 CC(=O)c1cccc(c1)OCC2=NCCN2 34a_100000211620_100000737910 [0,0,0,0,1,1|1,0,1]=4 2284 B17R2.5660 CC(=O)c1cccc(c1)OCC2=NCCN2 7a_100000211620_100000737910 [0,0,0,0,1,1|1,0,1]=4 2285 B17R2.5660 CC(C)c1cc(ccn1)SCC2=NCCN2 62a_100000737910_100010237922 [0,0,0,0,1,1|1,1,0]=4 2286 B17R2.5660 CC(C)c1cc(ccn1)SCC2=NCCN2 62a_100010237922_100000737910 [0,0,0,0,1,1|1,1,0]=4 2287 B17R2.5660 CC(C)c1cccc(c1)NCC2=NCCN2 34a_100000211879_100000737910 [0,0,0,0,1,1|1,0,0]=3 2288 B17R2.5660 CC(C)c1cccc(c1)NCC2=NCCN2 7a_100000211879_100000737910 [0,0,0,0,1,1|1,0,0]=3 2289 B17R2.5660 CC(C)c1cccc(c1)OCC2=NCCN2 34a_100000211816_100000737910 [0,0,0,0,1,1|0,0,0]=2 2290 B17R2.5660 CC(C)c1cccc(c1)OCC2=NCCN2 7a_100000211816_100000737910 [0,0,0,0,1,1|0,0,0]=2 2291 B17R2.5660 CC(C)c1cccc(c1)OCc2ncc[nH]2 34a_100000211816_100016991755 [0,0,0,0,1,1|0,0,2]=4 2292 B17R2.5660 CC(C)c1cccc(c1)OCc2ncc[nH]2 7a_100000211816_100000753453 [0,0,0,0,1,1|0,0,2]=4 2293 B17R2.5660 CC(C)c1cccc(c1)OCc2nnn[nH]2 34a_100000211816_100000765167 [0,0,0,0,1,1|2,0,0]=4 2294 B17R2.5660 CC(C)c1cccc(c1)OCc2nnn[nH]2 7a_100000211816_100000765167 [0,0,0,0,1,1|2,0,0]=4 2295 B17R2.5660 CC(C)c1cccc(c1)SCC2=NCCN2 62a_100000737910_100011214899 [0,0,0,0,1,1|0,1,0]=3 2296 B17R2.5660 CC(C)c1cccc(c1)SCC2=NCCN2 62a_100011214899_100000737910 [0,0,0,0,1,1|0,1,0]=3 2297 B17R2.5660 CC(C)c1cccc(n1)SCC2=NCCN2 62a_100000737910_100012318657 [0,0,0,0,1,1|0,1,0]=3 2298 B17R2.5660 CC(C)c1cccc(n1)SCC2=NCCN2 62a_100012318657_100000737910 [0,0,0,0,1,1|0,1,0]=3 2299 B17R2.5660 CC(C)c1ccnc(c1)SCC2=NCCN2 62a_100000737910_100010237925 [0,0,0,0,1,1|1,1,0]=4 2300 B17R2.5660 CC(C)c1ccnc(c1)SCC2=NCCN2 62a_100010237925_100000737910 [0,0,0,0,1,1|1,1,0]=4 2301 B17R2.5660 CC(C)c1ccnc(n1)SCC2=NCCN2 62a_100000737910_100011935126 [0,0,0,0,1,1|1,1,0]=4 2302 B17R2.5660 CC(C)c1ccnc(n1)SCC2=NCCN2 62a_100011935126_100000737910 [0,0,0,0,1,1|1,1,0]=4 2303 B17R2.5660 CC(C)c1cncc(c1)SCC2=NCCN2 62a_100000737910_200010191214 [0,0,0,0,1,1|1,1,0]=4 2304 B17R2.5660 CC(C)c1cncc(c1)SCC2=NCCN2 62a_200010191214_100000737910 [0,0,0,0,1,1|1,1,0]=4 2305 B17R2.5660 CC(C)c1cncc(n1)SCC2=NCCN2 62a_100000737910_100012056704 [0,0,0,0,1,1|1,1,0]=4 2306 B17R2.5660 CC(C)c1cncc(n1)SCC2=NCCN2 62a_100012056704_100000737910 [0,0,0,0,1,1|1,1,0]=4 2307 B17R2.5660 CC(C)c1nccc(n1)SCC2=NCCN2 62a_100000737910_100000752938 [0,0,0,0,1,1|1,1,0]=4 2308 B17R2.5660 CC(C)c1nccc(n1)SCC2=NCCN2 62a_100000752938_100000737910 [0,0,0,0,1,1|1,1,0]=4 2309 B17R2.5660 CC(N)c1cccc(c1)OCC2=NCCN2 34a_100000740644_100000737910 [0,0,0,0,1,1|1,0,0]=3 2310 B17R2.5660 CC(N)c1cccc(c1)OCC2=NCCN2 7a_100000740644_100000737910 [0,0,0,0,1,1|1,0,0]=3 2311 B17R2.5660 CC(N)c1cccc(c1)SCC2=NCCN2 62a_100000737910_100020642005 [0,0,0,0,1,1|1,1,0]=4 2312 B17R2.5660 CC(N)c1cccc(c1)SCC2=NCCN2 62a_100020642005_100000737910 [0,0,0,0,1,1|1,1,0]=4 2313 B17R2.5660 CC(N)c1cccc(n1)SCC2=NCCN2 62a_100000737910_200010173468 [0,0,0,0,1,1|1,1,0]=4 2314 B17R2.5660 CC(N)c1cccc(n1)SCC2=NCCN2 62a_200010173468_100000737910 [0,0,0,0,1,1|1,1,0]=4 2315 B17R2.5660 CC(O)c1cccc(c1)NCC2=NCCN2 34a_100011217120_100000737910 [0,0,0,0,1,1|2,0,0]=4 2316 B17R2.5660 CC(O)c1cccc(c1)OCC2=NCCN2 34a_100000748013_100000737910 [0,0,0,0,1,1|1,0,0]=3 2317 B17R2.5660 CC(O)c1cccc(c1)OCC2=NCCN2 7a_100000748013_100000737910 [0,0,0,0,1,1|1,0,0]=3 2318 B17R2.5660 CC(O)c1cccc(c1)SCC2=NCCN2 62a_100000246457_100000737910 [0,0,0,0,1,1|1,1,0]=4 2319 B17R2.5660 CC(O)c1cccc(c1)SCC2=NCCN2 62a_100000737910_100000246457 [0,0,0,0,1,1|1,1,0]=4 2320 B17R2.5660 CC(O)c1cccc(n1)SCC2=NCCN2 62a_100000737910_100009820884 [0,0,0,0,1,1|1,1,0]=4 2321 B17R2.5660 CC(O)c1cccc(n1)SCC2=NCCN2 62a_100009820884_100000737910 [0,0,0,0,1,1|1,1,0]=4 2322 B17R2.5660 CN(C)c1cccc(c1)NCC2=NCCN2 34a_100000209982_100000737910 [0,0,0,0,1,1|2,0,0]=4 2323 B17R2.5660 CN(C)c1cccc(c1)OCC2=NCCN2 34a_100000738785_100000737910 [0,0,0,0,1,1|1,0,0]=3 2324 B17R2.5660 CN(C)c1cccc(c1)SCC2=NCCN2 62a_100000737910_100011215952 [0,0,0,0,1,1|1,1,0]=4 2325 B17R2.5660 CN(C)c1cccc(c1)SCC2=NCCN2 62a_100011215952_100000737910 [0,0,0,0,1,1|1,1,0]=4 2326 B17R2.5660 CN(C)c1cccc(n1)SCC2=NCCN2 62a_100000737910_100011960435 [0,0,0,0,1,1|1,1,0]=4 2327 B17R2.5660 CN(C)c1cccc(n1)SCC2=NCCN2 62a_100011960435_100000737910 [0,0,0,0,1,1|1,1,0]=4 2328 B17R2.60657 CC(C)Oc1ccccc1OCC2CCC2 34a_100011218612_100000763275 [0,0,0,0,1,1|1,0,1]=4 2329 B17R2.60657 CC(C)Oc1ccccc1OCC2CCC2 7a_100011218612_100000763275 [0,0,0,0,1,1|1,0,1]=4 2330 B17R2.60657 CC(C)Oc1ccccc1OCC2CCO2 34a_100011218612_100000103362 [0,0,0,0,1,1|1,0,1]=4 2331 B17R2.60657 CC(C)Oc1ccccc1OCC2CCO2 7a_100011218612_100000103362 [0,0,0,0,1,1|1,0,1]=4 2332 B19R2.13534 CC(=O)Nc1ccccc1COCC2=NCCN2 34a_100000192217_100000737910 [0,0,0,0,0,2|1,0,1]=4 2333 B19R2.13534 CC(=O)Nc1ccccc1COCC2=NCCN2 7a_100000192217_100000737910 [0,0,0,0,0,2|1,0,1]=4 2334 B19R2.13534 CC(C)Oc1ccccc1CNCC2=NCCN2 34a_100000188901_100000737910 [0,0,0,0,0,2|1,0,0]=3 2335 B19R2.13534 CC(C)Oc1ccccc1COCC2=NCCN2 34a_100000708705_100000737910 [0,0,0,0,0,2|0,0,0]=2 2336 B19R2.13534 CC(C)Oc1ccccc1COCC2=NCCN2 7a_100000708705_100000737910 [0,0,0,0,0,2|0,0,0]=2 2337 B19R2.13534 CC(C)Oc1ccccc1COCc2ncc[nH]2 34a_100000708705_100016991755 [0,0,0,0,0,2|0,0,2]=4 2338 B19R2.13534 CC(C)Oc1ccccc1COCc2ncc[nH]2 7a_100000708705_100000753453 [0,0,0,0,0,2|0,0,2]=4 2339 B19R2.13534 CC(C)Oc1ccccc1COCc2nnn[nH]2 34a_100000708705_100000765167 [0,0,0,0,0,2|2,0,0]=4 2340 B19R2.13534 CC(C)Oc1ccccc1COCc2nnn[nH]2 7a_100000708705_100000765167 [0,0,0,0,0,2|2,0,0]=4 2341 B19R2.13534 CC(C)Oc1ccccc1OCCc2nnn[nH]2 7a_100011218612_100000031946 [0,0,0,0,0,2|2,0,0]=4 2342 B19R2.13534 FC(F)Oc1ccccc1COCC2=NCCN2 34a_100011215101_100000737910 [0,0,0,0,0,2|2,0,0]=4 2343 B19R2.13534 FC(F)Oc1ccccc1COCC2=NCCN2 7a_100011215101_100000737910 [0,0,0,0,0,2|2,0,0]=4 2344 B19R2.111493 CC(=O)NCc1ccccc1OCC2=NCCN2 34a_200011628774_100000737910 [0,0,0,0,0,2|1,0,1]=4 2345 B19R2.111493 CC(=O)NCc1ccccc1OCC2=NCCN2 7a_200011628774_100000737910 [0,0,0,0,0,2|1,0,1]=4 2346 B19R2.111493 CC(C)COc1ccccc1NCC2=NCCN2 34a_100000742603_100000737910 [0,0,0,0,0,2|1,0,0]=3 2347 B19R2.111493 CC(C)NCc1ccccc1SCC2=NCCN2 62a_100000195800_100000737910 [0,0,0,0,0,2|0,1,0]=3 2348 B19R2.111493 CC(C)NCc1ccccc1SCC2=NCCN2 62a_100000737910_100000195800 [0,0,0,0,0,2|0,1,0]=3 2349 B19R2.111493 CC(C)SCc1ccccc1SCC2=NCCN2 62a_100000737910_200000173093 [0,0,0,0,0,2|0,1,0]=3 2350 B19R2.111493 CC(C)SCc1ccccc1SCC2=NCCN2 62a_200000173093_100000737910 [0,0,0,0,0,2|0,1,0]=3