0 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 4043859 [1,0,0,0,0,0|3,0,0]=4 1 B10R1.13 CC(C)C1=CNC(=O)N=C1 4044144 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.13 CN(C)C1=NC=C(N)C=C1 4108176 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.6 CC(C)(C)C1=NC=C(C=O)C=N1 4025312 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4013953 [0,1,0,0,0,0|1,0,0]=2 8 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 4032241 [0,0,0,1,0,0|2,0,0]=3 9 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 4032797 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.55 CC(C)(C)C1=CN=C(N)S1 4044146 [0,0,0,0,1,0|3,0,0]=4 11 B10R1.55 CC(C)(C)C1=CNC(=O)N1 4030371 [0,0,0,0,1,0|2,0,1]=4 12 B10R1.55 CC(C)(C)C1=NC=C(Br)N1 4043179 [0,0,0,0,1,0|3,0,0]=4 13 B10R1.55 CC(C)(C)C1=NN=C(O)O1 4043273 [0,0,0,0,1,0|3,0,0]=4 14 B10R1.55 CC(C)(C)C1=NNC(Br)=C1 4069660 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.1 CCC1=CN=C(O)N=C1 4044733 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [1,1,0,0,0,0|2,0,0]=4 17 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [1,1,0,0,0,0|2,0,0]=4 18 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [1,1,0,0,0,0|2,0,0]=4 19 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4036033 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 4030757 [1,1,0,0,0,0|0,0,0]=2 22 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 4003760 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4033478 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4087931 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.21 CC1=CC=C([C@@H](C)N)C=C1C 4099868 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.21 CC1=CC=C([C@H](C)N)C=C1C 4091453 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4031175 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.166 CC1=C(N(C)C)C=CC(N)=C1 4036059 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4027551 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4091007 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4028308 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4034820 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4090735 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4029249 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4030523 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4087916 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 4103619 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 4107521 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 4031581 [1,1,0,0,0,0|0,0,1]=3 53 B11R1.87 CC(C)(O)C1=C(N)C=CC=C1 4043465 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 4047486 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.45 CC(C)(C)C1=CSC(CO)=N1 4033760 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.45 CC(C)(C)N1C=CC(C#N)=C1 4043095 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.45 CC(C)(C)N1C=CC(C=O)=C1 4029268 [0,1,0,0,1,0|1,0,1]=4 58 B13R1.140 CCOC1=CC=C(C(C)(C)N)C=C1 4013951 [0,2,0,0,0,0|1,0,0]=3 59 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 3007456 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.522 CC(C)(C(N)=O)C1=CC=C(Br)C=C1 4031235 [0,2,0,0,0,0|1,0,1]=4 61 B11R2.34 BrC1=CC=C(C2CC2)C=C1 4022408 [1,0,0,1,0,0|1,0,0]=3 62 B11R2.40 NC1(C2=CC=CC=C2)CC1 4087975 [1,0,0,1,0,0|1,0,0]=3 63 B11R2.40 NC1(C2=CC=CC=C2)CC1 4102430 [1,0,0,1,0,0|1,0,0]=3 64 B13R2.3051 CC1(C)CC2=CC(Br)=CC=C2N1 4037329 [0,0,0,1,0,1|1,0,0]=3 65 B13R2.102 NCC1(C2=CC=C(Cl)C=C2)CC1 4028379 [0,1,0,1,0,0|1,0,0]=3 66 B9R1.19 CC(C)(C)C1=CNC=N1 4040620 [1,0,0,0,1,0|2,0,0]=4 67 B9R1.19 CC(C)(C)C1=NC=CN1 4039818 [1,0,0,0,1,0|2,0,0]=4 68 B9R1.19 CC(C)(C)C1=NNC=C1 4031006 [1,0,0,0,1,0|2,0,0]=4 69 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [1,0,0,0,0,1|1,0,0]=3 70 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [1,0,0,0,0,1|1,0,0]=3 71 B13R1.512 CC(C)(C)NCC1=CC=C(Br)C=C1 4022322 [0,0,0,0,0,2|1,0,0]=3 72 B13R1.512 CC(C)(C)NCC1=CC=C(Br)C=C1 4089046 [0,0,0,0,0,2|1,0,0]=3