0 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.20 CC(C)NC1=NC=C(N)C=C1 4035510 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4090963 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.86 CC(C)SC1=CC=CC=C1N 4090176 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.86 NC1=CC=CC=C1OC(F)F 3002768 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4027438 [0,1,0,0,0,0|1,0,1]=3 16 B11R2.10 CC1=NC2=CC=CN=C2N1 4089154 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [0,0,0,0,1,0|1,0,0]=2 18 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,0,0,0,1,0|1,0,0]=2 19 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,0,0,0,1,0|1,0,0]=2 20 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,0,0,0,0,1|1,0,1]=3 21 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [0,0,0,0,0,1|1,0,1]=3 22 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [0,0,0,0,0,1|1,0,1]=3 23 B8R1.2 BrCC1=CN=CC=C1 4090400 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.2 NCC1=NC=NC=C1 4102725 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.2 NNC1=CC=CN=C1 4090882 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 NNC1=CC=NC=C1 4089280 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.4 CC1=CC=CN=C1CCN 4002940 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.10 CNCC1=CC(C)=NC=C1 4019510 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.17 CCNCC1=CC=CN=C1 9070410 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.17 NCCSC1=NC=CC=C1 4090640 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [1,1,0,0,0,0|0,0,1]=3 49 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [0,1,0,0,1,0|0,0,0]=2 50 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [0,1,0,0,1,0|1,0,0]=3 51 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [0,1,0,0,1,0|1,0,1]=4 52 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [0,1,0,0,1,0|1,0,1]=4 53 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [0,1,0,0,1,0|0,0,0]=2 54 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [0,1,0,0,1,0|0,0,0]=2 55 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [0,1,0,0,1,0|0,0,0]=2 56 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [0,1,0,0,1,0|0,0,0]=2 57 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [0,1,0,0,1,0|1,0,0]=3 58 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [0,1,0,0,1,0|0,0,0]=2 59 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [0,1,0,0,1,0|0,0,0]=2 60 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [0,1,0,0,1,0|0,0,0]=2 61 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [0,1,0,0,1,0|1,0,1]=4 62 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 4088303 [0,1,0,0,0,1|1,0,0]=3 63 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4091020 [0,1,0,0,0,1|1,0,1]=4 64 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4089084 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4088669 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.233 CC(C)OC1=C(Cl)C=C(N)C=C1 4090719 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 4090718 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.34 NNC(=O)[C@@H](O)C1=CC=CC=C1 4065828 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 4088924 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.1009 CC(C)OC1=C(N)C=CC=C1Cl 4090602 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.119 NC1=CC=CC(CS(N)(=O)=O)=C1 4043852 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 4091163 [0,2,0,0,0,0|2,0,0]=4 74 B10R2.2 NC1CC2=CN=CN2C1 4059018 [0,0,0,1,1,0|2,0,0]=4 75 B12R2.22 N[C@H]1C[C@@H](C2=CC=NC=C2)C1 4077112 [0,0,0,1,0,1|1,0,0]=3 76 B12R2.22 N[C@H]1C[C@@H](C2=CN=CC=C2)C1 4072765 [0,0,0,1,0,1|1,0,0]=3 77 B12R2.22 N[C@H]1C[C@H](C2=CC=NC=C2)C1 4074994 [0,0,0,1,0,1|1,0,0]=3 78 B12R2.22 N[C@H]1C[C@H](C2=CN=CC=C2)C1 4079107 [0,0,0,1,0,1|1,0,0]=3 79 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4087906 [0,0,0,1,0,1|0,0,0]=2 80 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [0,0,0,1,0,1|0,0,0]=2 81 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,0,0,1,0,1|0,0,0]=2 82 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [0,0,0,1,0,1|0,0,0]=2 83 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 4090937 [0,0,0,1,0,1|2,0,0]=4 84 B12R2.606 CC1=NC2=CC(O)=CC=C2N1 4088891 [0,1,0,1,0,0|1,0,1]=4 85 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4090689 [0,1,0,1,0,0|1,0,0]=3 86 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4087893 [0,1,0,1,0,0|1,0,1]=4 87 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 4006397 [0,1,0,1,0,0|1,0,1]=4 88 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4090819 [0,1,0,1,0,0|1,0,1]=4 89 B12R2.32 CNC1CC2=CC=CC=C2C1 4089485 [0,1,0,1,0,0|0,0,0]=2 90 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 4088829 [0,1,0,1,0,0|1,0,1]=4 91 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4088247 [0,1,0,1,0,0|0,0,0]=2 92 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4089156 [0,1,0,1,0,0|1,0,0]=3 93 B12R2.202 CC1=NC2=C(C=CC=C2N)N1 4090711 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.8 CNCC1=CC=CS1 4087952 [1,0,0,0,1,0|2,0,0]=4 95 B8R1.8 NCCC1=CC=CO1 4087953 [1,0,0,0,1,0|1,0,0]=3 96 B8R1.8 NCCC1=CC=CS1 3020071 [1,0,0,0,1,0|1,0,0]=3 97 B8R1.8 NCCC1=CNN=C1 4087965 [1,0,0,0,1,0|2,0,0]=4 98 B8R1.8 NCCC1=CSC=N1 4090876 [1,0,0,0,1,0|2,0,0]=4 99 B8R1.8 NCCN1C=CN=C1 4090168 [1,0,0,0,1,0|2,0,0]=4 100 B8R1.8 NNCC1=CC=CS1 4088418 [1,0,0,0,1,0|2,0,0]=4 101 B8R1.8 OCCC1=CC=CO1 4039978 [1,0,0,0,1,0|2,0,0]=4 102 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,0,0,0,2,0|2,0,0]=4 103 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,0,0,0,2,0|2,0,0]=4 104 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,0,0,0,2,0|2,0,0]=4