0 B11R2.10 CC1=NC2=CC=CN=C2N1 4089154 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4090819 [0,1,0,0,0,0|2,0,1]=4 2 B12R2.32 CNC1CC2=CC=CC=C2C1 4089485 [0,1,0,0,0,0|2,0,1]=4 3 B12R2.32 ClCC1=CN2C=CC=CC2=N1 4089196 [0,1,0,0,0,0|2,0,0]=3 4 B12R2.32 ClCC1=CN2C=CC=NC2=N1 3002033 [0,1,0,0,0,0|3,0,0]=4 5 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 4090343 [0,1,0,0,0,0|0,1,0]=2 6 B12R2.32 NCC1=CC2=CC=CC=C2S1 4090276 [0,1,0,0,0,0|1,1,0]=3 7 B12R2.32 NCC1=CN2C=CC=NC2=N1 4088716 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.32 NCC1=CN2C=CN=CC2=N1 4100853 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 4088829 [0,1,0,0,0,0|1,0,0]=2 10 B12R2.32 NCC1=NC2=C(C=CC=N2)O1 4013110 [0,1,0,0,0,0|1,0,0]=2 11 B12R2.32 NCC1=NC2=CC=CC=C2O1 4090316 [0,1,0,0,0,0|0,0,0]=1 12 B12R2.32 NCC1=NC2=CC=CC=C2S1 4089635 [0,1,0,0,0,0|0,1,0]=2 13 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 4088279 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 4090979 [0,1,0,0,0,0|1,0,0]=2 15 B12R2.202 CC1=CN2C(Br)=CC=CC2=N1 4088895 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.202 CC1=CN2C(N)=CC=CC2=N1 4089623 [0,1,0,0,0,0|2,0,0]=3 17 B12R2.202 CC1=NC2=C(C=CC=C2N)N1 4090711 [0,1,0,0,0,0|1,0,0]=2 18 B12R2.606 CC1=CC2=C(C=C1)NC(Cl)=N2 4088382 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 4088493 [0,1,0,0,0,0|1,0,0]=2 20 B12R2.606 CC1=NC2=CC(O)=CC=C2N1 4088891 [0,1,0,0,0,0|1,0,0]=2 21 B12R2.606 CC1=NN2C=C(N)C=CC2=N1 4043919 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4090689 [0,1,0,0,0,0|1,0,1]=3 23 B12R2.606 ClC1=CC=C2NC(Cl)=NC2=N1 4102371 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.606 ClC1=CC=C2NC(Cl)=NC2=N1 4110799 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 3003003 [0,1,0,0,0,0|1,0,0]=2 26 B12R2.606 ClC1=CN2C=C(Br)C=CC2=N1 4085375 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.606 FC1=CC2=C(C=C1)NC(Cl)=N2 4043380 [0,1,0,0,0,0|2,0,0]=3 28 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4087893 [0,1,0,0,0,0|2,0,1]=4 29 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 4006397 [0,1,0,0,0,0|2,0,1]=4 30 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)S1 3001777 [0,1,0,0,0,0|1,1,0]=3 31 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)S1 3001664 [0,1,0,0,0,0|1,1,0]=3 32 B10R1.4 CNCC1=CC=CC=C1C 4090872 [0,0,1,0,0,0|3,0,0]=4 33 B10R1.4 O=C=NC1=CC=CC=C1Br 3020265 [0,0,1,0,0,0|2,0,1]=4 34 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,1,0,0,0|2,0,1]=4 35 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [0,0,1,0,0,0|3,0,0]=4 37 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [0,0,0,0,0,1|2,0,1]=4 38 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,0,0,0,0,1|2,0,1]=4 39 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [0,0,0,0,0,1|2,0,1]=4 40 B11R1.17 C=CCOC1=CC=CC=C1N 4090105 [0,1,1,0,0,0|0,0,2]=4 41 B11R1.41 COC1=CC=CC=C1N=C=O 3020271 [0,1,1,0,0,0|1,0,1]=4 42 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,1,1,0,0,0|2,0,0]=4 43 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,1,1,0,0,0|2,0,0]=4 44 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4027438 [0,1,1,0,0,0|2,0,0]=4 45 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [1,1,0,0,0,0|2,0,0]=4 46 B11R2.1 NC1COC2=CC=CC=C21 4088614 [1,1,0,0,0,0|1,0,1]=4 47 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 4002139 [1,1,0,0,0,0|0,0,0]=2 48 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 3020104 [1,1,0,0,0,0|1,0,1]=4 49 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 3020088 [1,1,0,0,0,0|1,0,1]=4 50 B11R2.36 NC1=CC2=C(C=C1)SC=N2 4087784 [1,1,0,0,0,0|0,1,0]=3 51 B11R2.36 NC1=CC2=C(C=C1)SC=N2 4087785 [1,1,0,0,0,0|0,1,0]=3 52 B11R2.36 OC1=CC=C2NC=NC2=C1 4088281 [1,1,0,0,0,0|1,0,0]=3 53 B11R2.106 BrC1=C2C=COC2=CC=C1 4018336 [1,1,0,0,0,0|1,0,0]=3 54 B11R2.106 CC1=C2N=NNC2=CC=C1 3002703 [1,1,0,0,0,0|2,0,0]=4 55 B11R2.106 ClC1=CC=CC2=C1C=CN2 3020086 [1,1,0,0,0,0|1,0,1]=4 56 B11R2.106 ClC1=CC=CC2=C1NN=N2 4035307 [1,1,0,0,0,0|2,0,0]=4 57 B11R2.106 NC1=CC=CC2=NON=C12 3002710 [1,1,0,0,0,0|2,0,0]=4 58 B11R2.106 NC1=CC=NC2=C1N=CN2 4050825 [1,1,0,0,0,0|2,0,0]=4 59 B11R2.106 NC1=CN=CC2=C1N=CN2 4048232 [1,1,0,0,0,0|2,0,0]=4 60 B11R2.106 OC1=C2ON=CC2=CC=C1 4041159 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 4090869 [0,1,0,0,0,1|1,0,0]=3 62 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 4089010 [0,1,0,0,0,1|1,0,0]=3 63 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 4027629 [0,1,0,0,0,1|1,0,1]=4 64 B13R2.162 FC1=C2C=C(Br)C=NC2=CC=C1 4110379 [0,1,0,0,0,1|2,0,0]=4 65 B13R2.3683 FC1=CC=C2C=C(Br)C=NC2=C1 4110381 [0,1,0,0,0,1|2,0,0]=4 66 B13R2.45 CN1C2=CC=CC=C2N=C1CBr 4090249 [0,2,0,0,0,0|1,0,0]=3 67 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 3020304 [0,2,0,0,0,0|1,0,1]=4 68 B13R2.135 CC1=C(C=O)N2C=CC=CC2=N1 4302991 [0,2,0,0,0,0|2,0,0]=4 69 B13R2.5190 CC1=CC2=C(C=CC(N)=C2)N1C 4089427 [0,2,0,0,0,0|1,0,1]=4 70 B13R2.26 CNCC1=CC2=CC=CC=C2S1 4090886 [0,2,0,0,0,0|1,1,0]=4 71 B13R2.26 CNCC1=NC2=CC=CC=C2N1 4090287 [0,2,0,0,0,0|1,0,0]=3 72 B13R2.26 CNCC1=NC2=CC=CC=C2S1 4090128 [0,2,0,0,0,0|0,1,0]=3 73 B13R2.26 NCCC1=CN2C=CC=CC2=N1 4088328 [0,2,0,0,0,0|2,0,0]=4 74 B13R2.26 NCCC1=NC2=C(C=CC=C2)S1 4088703 [0,2,0,0,0,0|0,1,0]=3 75 B13R2.26 NCCC1=NC2=CC=CC=C2O1 4091032 [0,2,0,0,0,0|0,0,0]=2 76 B13R2.43 CC1=CC2=NC(CN)=CN2C=C1 4088538 [0,2,0,0,0,0|2,0,0]=4 77 B13R2.43 NC1=CC=C2NC(CO)=NC2=C1 4088584 [0,2,0,0,0,0|1,0,0]=3 78 B13R2.43 NCC1=CC2=CC(Cl)=CC=C2N1 4090049 [0,2,0,0,0,0|1,0,1]=4 79 B13R2.43 NCC1=CC2=CC(F)=CC=C2N1 4089627 [0,2,0,0,0,0|1,0,1]=4 80 B13R2.43 NNC1=NC2=CC=C(Cl)C=C2N1 3001859 [0,2,0,0,0,0|2,0,0]=4 81 B13R2.54 CC1=CC=CC2=C1N=C(CN)O2 4088213 [0,2,0,0,0,0|0,0,0]=2 82 B13R2.54 CC1=CC=CC2=NC(CN)=CN12 4089036 [0,2,0,0,0,0|2,0,0]=4 83 B13R2.54 CC1=CC=CN2C=C(CCl)N=C12 4088256 [0,2,0,0,0,0|2,0,0]=4 84 B13R2.54 CC1=CC=CN2C=C(CN)N=C12 4089964 [0,2,0,0,0,0|2,0,0]=4 85 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 4088837 [0,2,0,0,0,0|0,0,1]=3 86 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4087999 [0,2,0,0,0,0|0,1,1]=4 87 B13R2.5397 NC1=NC2=C(F)C=C(Cl)C=C2S1 4089040 [0,2,0,0,0,0|1,1,0]=4 88 B13R2.2121 CC1=NC2=C(C=C(NN)C=C2)S1 4089253 [0,2,0,0,0,0|0,1,0]=3 89 B13R2.2121 CC1=NC2=C(C=CC(CN)=C2)N1 4091117 [0,2,0,0,0,0|1,0,0]=3 90 B13R2.2121 CC1=NC2=CC(C#N)=CC=C2N1 4035793 [0,2,0,0,0,0|1,0,0]=3 91 B13R2.2121 CC1=NC2=CC(NN)=CC=C2S1 4013457 [0,2,0,0,0,0|0,1,0]=3 92 B13R2.2121 CC1=NC2=CC(NN)=CC=C2S1 4090423 [0,2,0,0,0,0|0,1,0]=3 93 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,0,1,0,0,1|2,0,0]=4 94 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [0,0,1,0,0,1|2,0,0]=4 95 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [0,0,1,0,0,1|2,0,0]=4