0 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [1,0,0,0,0,0|3,0,0]=4 1 B10R1.17 CCNCC1=CC=CN=C1 9070410 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 4090718 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.34 NNC(=O)[C@@H](O)C1=CC=CC=C1 4065828 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4087906 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.32 CNC1CC2=CC=CC=C2C1 4089485 [0,0,0,1,0,0|0,0,0]=1 16 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4088247 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4089156 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,0,0,0,1,0|3,0,0]=4 19 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.8 CNCC1=CC=NC=C1 3002392 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 NCCC1=NC=CC=C1 3020070 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.17 NCCCC1=C(F)C=CC=C1 4090517 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.17 NCCCC1=CC=CC=C1Cl 4019783 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.24 NCCCC1=CC(F)=CC=C1 4089959 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.28 C#CCNCC1=CC=CC=C1 4089987 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.28 CNC\C=C\C1=CC=CC=C1 9070687 [1,1,0,0,0,0|0,0,1]=3 31 B11R1.28 NCCCCC1=NC=CC=C1 4014928 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.28 NCCCOC1=CC=CC=C1 4087883 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.20 CC(C)NC1=NC=C(N)C=C1 4035510 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4090963 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.86 CC(C)SC1=CC=CC=C1N 4090176 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4027438 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [0,1,0,0,1,0|2,0,0]=4 43 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,1,0,0,1,0|2,0,0]=4 44 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [0,1,0,0,1,0|0,0,0]=2 45 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 4089750 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 4088850 [0,1,0,0,0,1|2,0,0]=4 47 B13R1.20 CN(CCO)CC1=CC=CC(N)=C1 4090571 [0,2,0,0,0,0|2,0,0]=4 48 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 4088686 [0,2,0,0,0,0|1,0,1]=4 49 B11R1.25 CNC(C)CCC1=CC=CO1 3020258 [0,0,1,1,0,0|1,0,1]=4 50 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [1,0,0,1,0,0|2,0,0]=4 51 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [1,0,0,1,0,0|0,0,0]=2 52 B11R2.239 C1=CC=C(C2CNC2)N=C1 4025152 [1,0,0,1,0,0|1,0,0]=3 53 B11R2.239 C1=CN=CC(C2CNC2)=C1 4037129 [1,0,0,1,0,0|1,0,0]=3 54 B13R2.33 O=C1CCC2=CC=CC=C2CN1 4036517 [0,0,0,1,0,1|1,0,1]=4 55 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 4089102 [0,0,0,1,0,1|2,0,0]=4 56 B13R2.64 C1=CC=C(CC2CCNC2)N=C1 4047363 [0,1,0,1,0,0|1,0,0]=3 57 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 4026663 [0,1,0,1,0,0|1,0,0]=3 58 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 4090765 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 4108222 [0,1,0,1,0,0|1,0,0]=3 60 B13R2.45 CN1C2=CC=CC=C2N=C1CBr 4090249 [0,1,0,1,0,0|1,0,1]=4 61 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 4089387 [0,1,0,1,0,0|1,0,1]=4 62 B13R2.5190 CC1=CC2=C(C=CC(N)=C2)N1C 4089427 [0,1,0,1,0,0|0,0,2]=4 63 B9R1.12 CNCCC1=CNN=C1 4087966 [1,0,0,0,1,0|2,0,0]=4 64 B9R1.12 CNCCC1=CNN=C1 4101522 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.12 CNCCN1C=CN=C1 4089691 [1,0,0,0,1,0|2,0,0]=4 66 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,0,0,0,1,0|1,0,0]=3 67 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [1,0,0,0,1,0|1,0,0]=3 68 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,0,0,0,1,0|1,0,0]=3 69 B9R1.11 CNC(C)C1=NC=CS1 2102324 [0,0,0,0,2,0|2,0,0]=4 70 B9R1.11 CNC(C)C1=NOC=C1 2102256 [0,0,0,0,2,0|2,0,0]=4