0 B12R1.252 CC(=O)NCCC1=CC=CC=C1 HR109426 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 HR112163 [0,1,0,0,0,0|3,0,0]=4 2 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)O1 HR113924 [0,0,0,1,0,0|3,0,0]=4 3 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)S1 HR34038 [0,0,0,1,0,0|3,0,0]=4 4 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 HR32567 [0,0,0,1,0,0|3,0,0]=4 5 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 HR115644 [0,0,0,1,0,0|3,0,0]=4 6 B13R2.10 BrC1=NN=C(C2=CC=CC=C2)O1 HR147268 [0,0,0,1,0,0|2,0,1]=4 7 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 HR126036 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 HR107804 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 HR112223 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.10 CC1=NC(C2=CC=CC=C2)=NN1 HR111097 [0,0,0,1,0,0|1,0,0]=2 11 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 HR101260 [0,0,0,1,0,0|1,0,0]=2 12 B13R2.10 NC1=CC(C2=CC=NC=C2)=NN1 HR149012 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.10 NC1=CC(C2=CC=NC=C2)=NO1 HR106557 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.10 NC1=CC(C2=NC=CC=C2)=NN1 HR113779 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 HR118233 [0,0,0,1,0,0|2,0,0]=3 16 B13R2.10 NC1=NC(C2=CC=CC=C2)=NS1 HR141600 [0,0,0,1,0,0|1,0,0]=2 17 B13R2.10 NC1=NC(C2=CC=CN=C2)=CS1 HR111275 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.10 NC1=NC(C2=NC=CC=C2)=CS1 HR118439 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 HR139196 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 HR115028 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 HR115647 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 HR138821 [0,0,0,1,0,0|1,0,2]=4 23 B13R2.10 NC1=NNC(C2=CC=CN=C2)=N1 HR120618 [0,0,0,1,0,0|1,0,2]=4 24 B13R2.10 NC1=NNC(C2=CC=NC=C2)=N1 HR120931 [0,0,0,1,0,0|1,0,2]=4 25 B13R2.10 NC1=NNC(C2=NC=CC=C2)=N1 HR120295 [0,0,0,1,0,0|1,0,2]=4 26 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 HR109849 [0,0,0,1,0,0|1,0,1]=3 27 B13R2.10 Nc1nc(-c2ccccc2)cs1 HR113886 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 HR103308 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.10 S=C1NC(C2=CC=CC=C2)=CS1 HR144992 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.10 S=C1NC=C(C2=CC=NC=C2)N1 HR105481 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.10 S=C1NN=C(C2=CC=CC=C2)O1 HR100354 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.91 CC(=O)NCC1=CC=CC=C1 HR101818 [0,0,0,0,1,0|2,0,1]=4 33 B11R1.91 CC(=O)NNC1=CC=CC=C1 HR123814 [0,0,0,0,1,0|2,0,1]=4 34 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR126722 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR129858 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.91 N=C(N)CCC1=CC=CN=C1 HR120288 [0,0,0,0,1,0|2,0,1]=4 37 B11R1.91 N=C(N)CCC1=CC=NC=C1 HR121866 [0,0,0,0,1,0|2,0,1]=4 38 B11R1.91 N=C(N)CCC1=NC=CC=C1 HR102009 [0,0,0,0,1,0|2,0,1]=4 39 B11R1.91 N=C(N)SCC1=CC=CC=C1 HR144885 [0,0,0,0,1,0|1,0,1]=3 40 B11R1.91 N=C(N)\C=C\c1ccccc1 HR105980 [0,0,0,0,1,0|1,0,0]=2 41 B11R1.91 NC(=O)CCC1=CC=CC=C1 HR143750 [0,0,0,0,1,0|2,0,1]=4 42 B11R1.91 NC(=O)CNC1=CC=CC=C1 HR118147 [0,0,0,0,1,0|2,0,1]=4 43 B11R1.91 NC(=O)NCC1=CC=CC=C1 HR144984 [0,0,0,0,1,0|1,0,1]=3 44 B11R1.91 NC(=O)NNC1=CC=CC=C1 HR140902 [0,0,0,0,1,0|1,0,1]=3 45 B11R1.91 NC(=O)OCC1=CC=CC=C1 HR134339 [0,0,0,0,1,0|2,0,1]=4 46 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HR136314 [0,0,0,0,1,0|2,0,0]=3 47 B11R1.91 NC(=S)NCC1=CC=CC=C1 HR100499 [0,0,0,0,1,0|1,0,1]=3 48 B11R1.91 NC(N)=NCC1=CC=NC=C1 HR104520 [0,0,0,0,1,0|1,0,2]=4 49 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 HR136827 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR101436 [0,0,0,0,1,0|3,0,0]=4 51 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR136574 [0,0,0,0,1,0|3,0,0]=4 52 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HR137106 [0,0,0,0,1,0|3,0,0]=4 53 B10R1.17 NNCCC1=CC=CC=C1 HR100277 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR100316 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR133706 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.21 NC(=O)\C=C\C1=CC=C(Cl)C=C1 HR144620 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N HR106672 [0,1,0,0,1,0|0,0,1]=3 58 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 HR103366 [0,1,0,0,1,0|1,0,0]=3 59 B14R1.337 CC1=C(NC(=N)NC(=N)N)C=CC=C1 HR138511 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.4920 N=C(N)N\N=C\c1c(Cl)cccc1Cl HR110920 [0,2,0,0,0,0|0,0,0]=2 61 B14R1.4920 NC(N)=N\N=C\C1=C(Cl)C=CC=C1Cl HR110288 [0,2,0,0,0,0|0,0,2]=4 62 B12R2.2 C1=CC(C2=NC=CN2)=CC=N1 HR101024 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 HR33908 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 HR126832 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 HR140351 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.2 C1=CC=C(C2=CSC=N2)C=C1 HR134648 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 HR31951 [1,0,0,1,0,0|1,0,0]=3 68 B12R2.2 C1=CC=C(C2=NC=CS2)C=C1 HR102192 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 HR129619 [1,0,0,1,0,0|1,0,1]=4 70 B12R2.2 C1=CC=C(C2=NN=NN2)C=C1 HR136869 [1,0,0,1,0,0|1,0,1]=4 71 B12R2.2 C1=CN=C(C2=NC=CN2)C=C1 HR117816 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 HR119024 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.2 C1=CN=C(C2=NNN=N2)C=C1 HR109750 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.2 C1=CN=CC(C2=NC=CN2)=C1 HR33863 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.2 C1=CN=CC(C2=NNC=C2)=C1 HR109605 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.2 c1ccc(-n2nccn2)cc1 HR119098 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 HR138179 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.1081 CC1=CN=CC2=CC=CC=C12 HR155052 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 HR111673 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.1081 FC1=CN=CC2=CC=CC=C12 HR143846 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.1081 IC1=CN=CC2=CC=CC=C12 HR148079 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.1081 NC1=CC=CC2=CC=CC=C12 HR150840 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.1081 NC1=CN=CC2=CC=CC=C12 HR111729 [1,0,0,1,0,0|1,0,0]=3 84 B12R2.1081 NC1=NC=CC2=CC=CC=C21 HR32230 [1,0,0,1,0,0|1,0,1]=4 85 B12R2.1081 O=C1NC=CC2=CC=CC=C12 HR104660 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.1081 O=C1NN=CC2=CC=CC=C12 HR32339 [1,0,0,1,0,0|1,0,0]=3 87 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 HR141091 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.1081 OC1=CN=CC2=CC=CC=C12 HR147636 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 HR104359 [0,0,0,1,1,0|2,0,0]=4 90 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 HR123210 [0,0,0,1,1,0|2,0,0]=4 91 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 HR146963 [0,0,0,1,1,0|2,0,0]=4 92 B12R2.24 CC1=CC2=CC=CC=C2C=N1 HR147041 [0,0,0,1,1,0|2,0,0]=4 93 B12R2.24 CC1=NC2=CC=CC=C2C=C1 HR5809 [0,0,0,1,1,0|2,0,0]=4 94 B12R2.24 CC1=NC2=CC=CC=C2N=C1 HR125046 [0,0,0,1,1,0|2,0,0]=4 95 B12R2.24 Cc1ccc2ccccc2n1 HR100422 [0,0,0,1,1,0|2,0,0]=4 96 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 HR105103 [0,0,0,1,1,0|2,0,0]=4 97 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 HR130387 [0,0,0,1,1,0|2,0,0]=4 98 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 HR122477 [0,0,0,1,1,0|1,0,0]=3 99 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 HR127731 [0,0,0,1,1,0|2,0,0]=4 100 B12R2.24 NC1=CC2=CC=CC=C2C=N1 HR104457 [0,0,0,1,1,0|1,0,0]=3 101 B12R2.24 NC1=CC2=CC=CC=C2N=C1 HR146639 [0,0,0,1,1,0|2,0,0]=4 102 B12R2.24 NC1=NC2=C(C=CC=C2)N=N1 TISA01302 [0,0,0,1,1,0|0,0,1]=3 103 B12R2.24 NC1=NC2=CC=CC=C2C=C1 HR125008 [0,0,0,1,1,0|1,0,0]=3 104 B12R2.24 NC1=NC2=CC=CC=C2C=N1 HR114438 [0,0,0,1,1,0|0,0,0]=2 105 B12R2.24 NC1=NC2=CC=CN=C2C=C1 HR117417 [0,0,0,1,1,0|2,0,0]=4 106 B12R2.24 NC1=NC2=NC=CC=C2C=C1 HR147141 [0,0,0,1,1,0|2,0,0]=4 107 B12R2.24 Nc1ccc2ccccc2c1 HR146664 [0,0,0,1,1,0|2,0,0]=4 108 B12R2.24 O=C1C=NC2=CC=CC=C2N1 HR30112 [0,0,0,1,1,0|2,0,0]=4 109 B12R2.24 O=C1N=C2C=CC=CC2=CN1 HR108293 [0,0,0,1,1,0|1,0,0]=3 110 B12R2.24 OC1=CC2=CC=CC=C2C=N1 HR104414 [0,0,0,1,1,0|2,0,0]=4 111 B12R2.24 OC1=NC2=CC=CC=C2C=C1 HR100813 [0,0,0,1,1,0|2,0,0]=4 112 B12R2.24 OC1=NC2=CC=CC=C2C=C1 HR127926 [0,0,0,1,1,0|2,0,0]=4 113 B14R2.21 NC1=CC(C2=CC=CC=C2)=CN=C1 HR112461 [0,0,0,1,0,1|2,0,0]=4 114 B14R2.21 NC1=CC(C2=CC=CC=C2)=NC=C1 HR146859 [0,0,0,1,0,1|2,0,0]=4 115 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 HR116704 [0,0,0,1,0,1|2,0,0]=4 116 B14R2.21 NC1=NC(C2=CC=CC=C2)=CN=C1 HR33690 [0,0,0,1,0,1|1,0,0]=3 117 B14R2.21 NC1=NC=NC(C2=CC=CC=C2)=C1 HR105872 [0,0,0,1,0,1|1,0,1]=4 118 B14R2.68 BrC1=CN=C(C2=CC=CC=C2)N=C1 HR30432 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.68 NC1=CC=C(C2=CC=CC=C2)N=C1 HR100682 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=C1 HR152906 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.68 O=C1C=CC(C2=CC=CC=C2)=NN1 HR102717 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.287 CC1=NCC(=O)NC2=C1C=CC=C2 HR146361 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.22 CC1=CC(C2=CC(Br)=CC=C2)=NN1 HR105456 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.22 CC1=CC=CC(C2=NC(N)=NN2)=C1 HR113154 [0,1,0,1,0,0|0,0,2]=4 125 B14R2.22 NC1=CC(C2=CC(Br)=CC=C2)=NN1 HR146402 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.300 CC(=O)N1N=CC2=CC(Cl)=CC=C21 HR147926 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.256 CC1=C(C2=NC(N)=NN2)C=CC=C1 HR113467 [0,1,0,1,0,0|0,0,2]=4 128 B14R2.256 NC1=NN=C(C2=C(Cl)C=CC=C2)O1 HR106529 [0,1,0,1,0,0|1,0,1]=4 129 B14R2.20 CC1=CC(C2=CC=C(Br)C=C2)=NN1 HR102948 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.20 CC1=CC=C(C2=NN=C(N)N2)C=C1 HR113789 [0,1,0,1,0,0|0,0,2]=4 131 B14R2.20 CC1=CC=C(C2=NOC(C)=N2)C=C1 HR110229 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.20 CC1=NC(C2=CC=C(N)C=C2)=NO1 HR111181 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NO1 HR108509 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NN1 HR105733 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CS1 HR116266 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 HR134184 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.8 ClCC1=NC(C2=CC=CC=C2)=NO1 HR110778 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 HR106750 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.8 NCC1=NN=C(C2=CC=CC=C2)O1 HR105524 [0,1,0,1,0,0|1,0,1]=4 140 B14R2.8 NCc1coc(-c2ccccc2)n1 HR108559 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.4514 CC1=C(N)NN=C1C2=CC=CC=C2 HR148177 [0,1,0,1,0,0|1,0,0]=3 142 B14R2.4514 CN1C(=S)NN=C1C2=CC=NC=C2 HR108844 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.18 N=C(N)CC1=CC=NC=C1 HR114647 [0,0,0,0,2,0|1,0,1]=4 144 B10R1.18 N=C(N)Nc1ccccc1 HR128844 [0,0,0,0,2,0|0,0,0]=2 145 B10R1.18 N=C(N)Nc1ccccc1 HR130330 [0,0,0,0,2,0|0,0,0]=2 146 B10R1.18 NC(=O)CC1=CC=CC=C1 HR137931 [0,0,0,0,2,0|1,0,1]=4 147 B10R1.18 NC(=O)NC1=CC=CC=C1 HR129983 [0,0,0,0,2,0|1,0,0]=3 148 B10R1.18 NC(=S)CC1=CC=CC=C1 HR111590 [0,0,0,0,2,0|1,0,1]=4 149 B10R1.18 NC(=S)NC1=CC=CC=C1 HR134138 [0,0,0,0,2,0|1,0,0]=3 150 B10R1.18 NC(=S)NC1=CC=CN=C1 HR128635 [0,0,0,0,2,0|2,0,0]=4 151 B10R1.18 NC(=S)NC1=NC=CC=C1 HR143668 [0,0,0,0,2,0|2,0,0]=4