0 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,0,1,0,0,0|3,0,0]=4 1 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,0,1,0,0,0|2,0,0]=3 2 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,0,1,0,0,0|2,0,0]=3 3 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [0,0,1,0,0,0|2,0,0]=3 4 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [0,0,1,0,0,0|2,0,0]=3 5 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,0,1,0,0,0|2,0,0]=3 6 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,0,1,0,0,0|3,0,0]=4 7 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,0,1,0,0,0|1,0,0]=2 8 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,0,1,0,0,0|2,0,0]=3 9 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [0,0,1,0,0,0|0,0,2]=3 10 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,0,1,0,0,0|1,0,0]=2 12 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [0,0,1,0,0,0|1,0,0]=2 13 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [0,0,1,0,0,0|2,0,1]=4 14 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [0,0,1,0,0,0|2,0,1]=4 15 B12R2.22 N[C@H]1C[C@@H](C2=CC=NC=C2)C1 4077112 [0,0,0,0,0,1|1,0,0]=2 16 B12R2.22 N[C@H]1C[C@@H](C2=CN=CC=C2)C1 4072765 [0,0,0,0,0,1|1,0,0]=2 17 B12R2.22 N[C@H]1C[C@H](C2=CC=NC=C2)C1 4074994 [0,0,0,0,0,1|1,0,0]=2 18 B12R2.22 N[C@H]1C[C@H](C2=CN=CC=C2)C1 4079107 [0,0,0,0,0,1|1,0,0]=2 19 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,0,1,0,0,0|1,0,0]=3 20 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [1,0,1,0,0,0|1,0,0]=3 21 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,0,1,0,0,0|1,0,0]=3 22 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,1,0,0,0|2,0,0]=4 23 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,0,1,0,0,0|1,0,0]=3 24 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [0,1,1,0,0,0|0,0,0]=2 25 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [0,1,1,0,0,0|2,0,0]=4 26 B11R1.16 CN(CCN)C1=CC=CC=C1 4088780 [0,1,1,0,0,0|1,0,0]=3 27 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [0,1,1,0,0,0|2,0,0]=4 28 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,1,1,0,0,0|2,0,0]=4 29 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [0,1,1,0,0,0|2,0,0]=4 30 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,1,1,0,0,0|2,0,0]=4 31 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,1,1,0,0,0|2,0,0]=4 32 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,1,1,0,0,0|1,0,1]=4 33 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,1,1,0,0,0|1,0,1]=4 34 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4031261 [0,1,1,0,0,0|1,0,0]=3 35 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4090928 [0,1,1,0,0,0|1,0,0]=3 36 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [0,1,1,0,0,0|2,0,0]=4 37 B11R1.1 NCCOC1=CC=C(Br)C=C1 4090090 [0,1,1,0,0,0|1,0,0]=3 38 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4088197 [0,1,1,0,0,0|1,0,0]=3 39 B11R1.17 NCCCC1=C(F)C=CC=C1 4090517 [0,1,1,0,0,0|0,0,0]=2 40 B11R1.17 NCCCC1=CC=CC=C1Cl 4019783 [0,1,1,0,0,0|0,0,0]=2 41 B11R1.17 NCCCN1C=CC=CC1=O 4090788 [0,1,1,0,0,0|1,0,0]=3 42 B11R1.24 CC1=CC(OCCN)=CC=C1 3001621 [0,1,1,0,0,0|1,0,0]=3 43 B11R1.24 NCCCC1=CC(F)=CC=C1 4089959 [0,1,1,0,0,0|0,0,0]=2 44 B11R1.24 NCCOC1=CC(Cl)=CC=C1 3002038 [0,1,1,0,0,0|1,0,0]=3 45 B11R1.28 C#CCNCC1=CC=CC=C1 4089987 [0,1,1,0,0,0|1,0,1]=4 46 B11R1.28 CNC\C=C\C1=CC=CC=C1 9070687 [0,1,1,0,0,0|0,0,2]=4 47 B11R1.28 NCCCCC1=NC=CC=C1 4014928 [0,1,1,0,0,0|1,0,0]=3 48 B11R1.28 NCCCOC1=CC=CC=C1 4087883 [0,1,1,0,0,0|0,0,0]=2 49 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,1,1,0,0,0|0,0,1]=3 50 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [0,1,1,0,0,0|1,0,1]=4 51 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [0,1,1,0,0,0|1,0,1]=4 52 B11R1.86 CC(C)SC1=CC=CC=C1N 4090176 [0,1,1,0,0,0|2,0,0]=4 53 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4027438 [0,1,1,0,0,0|1,0,1]=4 54 B11R2.35 ClC1=NC=NC(C2CC2)=C1 4039198 [1,1,0,0,0,0|2,0,0]=4 55 B11R2.55 NC1=C(C2CC2)C=CC=C1 4005989 [1,1,0,0,0,0|0,0,0]=2 56 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [0,0,1,1,0,0|1,0,1]=4 57 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,0,1,1,0,0|2,0,0]=4 58 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [0,0,1,1,0,0|2,0,0]=4 59 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [0,0,1,1,0,0|0,0,0]=2 60 B11R2.239 C1=CC=C(C2CNC2)N=C1 4025152 [0,0,1,1,0,0|1,0,0]=3 61 B11R2.239 C1=CN=CC(C2CNC2)=C1 4037129 [0,0,1,1,0,0|1,0,0]=3 62 B9R1.11 CC(CN)N1C=CC=N1 4090464 [0,0,1,0,1,0|2,0,0]=4 63 B9R1.11 CC(CN)N1C=CN=C1 4014564 [0,0,1,0,1,0|2,0,0]=4 64 B9R1.11 CC(CN)N1C=CN=C1 4088378 [0,0,1,0,1,0|2,0,0]=4 65 B9R1.12 NCCCC1=NC=CN1 4089532 [0,0,1,0,1,0|2,0,0]=4 66 B9R1.12 NCCCC1=NC=CS1 4101106 [0,0,1,0,1,0|2,0,0]=4 67 B9R1.12 NCCCN1C=CC=N1 4087812 [0,0,1,0,1,0|2,0,0]=4