0 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [1,0,0,0,0,0|1,0,2]=4 1 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.18 CC(N)CC1=NC=CN=C1 4010867 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.18 CC(N)CC1=NC=CN=C1 4087844 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 4035478 [0,1,0,0,0,0|2,0,1]=4 7 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4033380 [0,0,0,1,0,0|1,0,0]=2 8 B12R1.891 CC(C)(C)NCC1=CC=CN=C1 5402675 [0,0,0,0,0,1|2,0,0]=3 9 B12R1.891 CC(C)(C)NCC1=CC=NC=C1 4090542 [0,0,0,0,0,1|2,0,0]=3 10 B12R1.891 CC(C)(C)NCC1=CC=NC=C1 9071212 [0,0,0,0,0,1|2,0,0]=3 11 B12R1.891 CC(C)(C)NCC1=NC=CC=C1 4091190 [0,0,0,0,0,1|2,0,0]=3 12 B12R1.891 CC(C)(C)NCC1=NC=CC=C1 9071969 [0,0,0,0,0,1|2,0,0]=3 13 B12R1.891 FC(F)(F)CNC1=CC=CC=C1 4040454 [0,0,0,0,0,1|3,0,0]=4 14 B9R1.8 BrCCC1=CC=CN=C1 4054467 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.8 BrCCC1=NC=CC=C1 4028495 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.8 BrCCC1=NC=CC=C1 4090022 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.8 CNCC1=CC=CC=N1 4004537 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.8 NCCC1=CC=CN=C1 4005651 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [1,1,0,0,0,0|1,0,0]=3 20 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [1,1,0,0,0,0|1,0,0]=3 21 B11R1.20 CN(C)CC1=CC=C(Cl)N=C1 5402629 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 4026591 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [1,1,0,0,0,0|0,0,0]=2 24 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4026592 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4025879 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4088647 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [1,1,0,0,0,0|0,0,0]=2 29 B11R1.40 CC(CN)OC1=CN=CC=C1 4004846 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.40 CNC(C)CC1=NC=CN=C1 4016114 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.86 CC(C)OC1=CC=CC=C1N 4003147 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.86 CC(C)OC1=CC=CC=C1N 4089404 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.86 CC(C)SC1=CC=CC=C1N 9071574 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.86 CN(C)CC1=CC=CC=C1N 4016941 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.86 CN(C)CC1=CC=CC=C1N 4089185 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 4031581 [0,1,0,0,1,0|1,0,0]=3 37 B11R1.87 CC(C)(O)C1=C(N)C=CC=C1 4043465 [0,1,0,0,1,0|0,0,0]=2 38 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 4047486 [0,1,0,0,1,0|1,0,0]=3 39 B13R1.157 CC(C)(C)NCC1=CC=CC=C1F 4088913 [0,1,0,0,0,1|1,0,0]=3 40 B13R1.157 CC(C)(C)NCC1=CC=CC=C1F 9071198 [0,1,0,0,0,1|1,0,0]=3 41 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 9070764 [0,1,0,0,0,1|0,0,0]=2 42 B13R1.254 CC(C)(CO)NCC1=CC=CN=C1 4090969 [0,1,0,0,0,1|1,0,0]=3 43 B13R1.254 CC(C)(CO)NCC1=CC=CN=C1 9032118 [0,1,0,0,0,1|1,0,0]=3 44 B13R1.254 CC(C)(CO)NCC1=CC=NC=C1 4090652 [0,1,0,0,0,1|1,0,0]=3 45 B13R1.254 CC(C)(CO)NCC1=CC=NC=C1 9027527 [0,1,0,0,0,1|1,0,0]=3 46 B13R1.254 CC(C)(CO)NCC1=NC=CC=C1 4089806 [0,1,0,0,0,1|1,0,0]=3 47 B13R1.254 CC(C)(CO)NCC1=NC=CC=C1 9037788 [0,1,0,0,0,1|1,0,0]=3 48 B13R1.352 CC(C)(C)CC(N)C1=CC=CN=C1 4026609 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.512 CC(C)(C)NCC1=CC=C(Br)C=C1 4022322 [0,1,0,0,0,1|1,0,0]=3 50 B13R1.512 CC(C)(C)NCC1=CC=C(Br)C=C1 4089046 [0,1,0,0,0,1|1,0,0]=3 51 B13R1.838 CC(C)(C)NCC1=CC=CC(Cl)=C1 4090489 [0,1,0,0,0,1|1,0,0]=3 52 B13R1.838 CC(C)(C)NCC1=CC=CC(Cl)=C1 9072027 [0,1,0,0,0,1|1,0,0]=3 53 B13R1.838 CC(C)(N)CNC1=CC(Cl)=CC=C1 4023228 [0,1,0,0,0,1|1,0,0]=3 54 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O 4140261 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 3013908 [0,2,0,0,0,0|1,0,0]=3 56 B11R2.40 NC1(C2=CC=CC=C2)CC1 4087975 [0,0,0,1,1,0|1,0,0]=3 57 B11R2.40 NC1(C2=CC=CC=C2)CC1 4102430 [0,0,0,1,1,0|1,0,0]=3 58 B13R2.222 CC1(C)CC2=CC=CC=C2CN1 9071824 [0,0,0,1,0,1|1,0,0]=3 59 B13R2.3051 CC1(C)CC2=CC(Br)=CC=C2N1 4037329 [0,1,0,1,0,0|1,0,0]=3 60 B13R2.217 CC1=C(CC2(N)CC2)C=CC=C1 4033503 [0,1,0,1,0,0|1,0,0]=3 61 B13R2.217 CC1=C(CC2(N)CC2)C=CC=C1 4089478 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [1,0,0,0,1,0|2,0,0]=4 63 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [1,0,0,0,1,0|2,0,0]=4 64 B9R1.13 CC(C)CC1=NC=CN1 4039941 [1,0,0,0,1,0|2,0,0]=4 65 B11R1.91 CC(C)NCC1=CC=CN=C1 4088009 [1,0,0,0,0,1|1,0,0]=3 66 B11R1.91 CC(C)NCC1=CC=CN=C1 5402672 [1,0,0,0,0,1|1,0,0]=3