0 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,0,0|3,0,1]=4 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|3,0,0]=3 3 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.20 CC(C)NC1=NC=C(N)C=C1 4035510 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4090963 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.86 CC(C)SC1=CC=CC=C1N 4090176 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.157 CN(C)CC1=NC(Cl)=CN=C1 4026992 [0,1,0,0,0,0|2,0,0]=3 13 B11R2.10 CC1=NC2=CC=CN=C2N1 4089154 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,0,0,0,1,0|2,0,1]=4 15 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,0,0,0,1,0|1,0,0]=2 18 B8R1.2 NCC1=NC=NC=C1 4102725 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.4 CC1=CC=CN=C1CCN 4002940 [1,1,0,0,0,0|1,0,0]=3 21 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [1,1,0,0,0,0|1,0,0]=3 23 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.17 CCNCC1=CC=CN=C1 9070410 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.17 NCCSC1=NC=CC=C1 4090640 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,1,0,0,1,0|1,0,1]=4 32 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 4045063 [0,1,0,0,1,0|1,0,0]=3 33 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.61 CN(C)C1=NC=CC=C1N 4089183 [0,1,0,0,1,0|1,0,0]=3 37 B10R1.113 CC(C)C1=CC=NC(O)=N1 4088319 [0,1,0,0,1,0|1,0,0]=3 38 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [0,1,0,0,1,0|1,0,0]=3 41 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.54 CC(C)CC1=NN=C(N)S1 3002330 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.43 CC(Br)C(=O)NC1=CC=CC=N1 4089535 [0,1,0,0,0,1|1,0,1]=4 46 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 4088303 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4089084 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.233 CC(C)OC1=C(Cl)C=C(N)C=C1 4090719 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.478 CN(C)C(CN)C1=NC=CC=C1 4017788 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.564 NC(C1=NC=CC=C1)C(F)(F)F 4100718 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 4088924 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.1009 CC(C)OC1=C(N)C=CC=C1Cl 4090602 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 4091163 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.39 CC(C)N1C=NC=C1C=O 4087941 [0,0,1,1,0,0|2,0,0]=4 55 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4087906 [0,0,0,1,0,1|2,0,0]=4 56 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [0,0,0,1,0,1|2,0,0]=4 57 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,0,0,1,0,1|2,0,0]=4 58 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [0,0,0,1,0,1|2,0,0]=4 59 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 4090937 [0,0,0,1,0,1|2,0,0]=4 60 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4090689 [0,1,0,1,0,0|2,0,0]=4 61 B12R2.32 CNC1CC2=CC=CC=C2C1 4089485 [0,1,0,1,0,0|1,0,0]=3 62 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4088247 [0,1,0,1,0,0|1,0,0]=3 63 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4089156 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.8 CCCC1=NNC=N1 4089398 [1,0,0,0,1,0|2,0,0]=4 65 B8R1.8 CNCC1=CC=CS1 4087952 [1,0,0,0,1,0|2,0,0]=4 66 B8R1.8 CNCC1=CSC=N1 4088415 [1,0,0,0,1,0|2,0,0]=4 67 B8R1.8 CNCC1=NC=CN1 4088413 [1,0,0,0,1,0|2,0,0]=4 68 B8R1.8 CNCC1=NC=CS1 4090726 [1,0,0,0,1,0|2,0,0]=4 69 B8R1.8 CNCC1=NOC=C1 2102254 [1,0,0,0,1,0|2,0,0]=4 70 B8R1.8 ClCCC1=NC=CN1 4090066 [1,0,0,0,1,0|2,0,0]=4 71 B8R1.8 NCCC1=CC=CO1 4087953 [1,0,0,0,1,0|2,0,0]=4 72 B8R1.8 NCCC1=CC=CS1 3020071 [1,0,0,0,1,0|2,0,0]=4 73 B8R1.8 NCCC1=CSC=N1 4090876 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.8 OCCC1=CC=CO1 4039978 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,0,0,0,2,0|1,0,1]=4 76 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,0,0,0,2,0|2,0,0]=4 77 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,0,0,0,2,0|2,0,0]=4 78 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,0,0,0,2,0|2,0,0]=4