0 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 BrCC1=CN=CC=C1 4090400 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.2 NCC1=NC=NC=C1 4102725 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.2 NNC1=CC=CN=C1 4090882 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.2 NNC1=CC=NC=C1 4089280 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,1,0,0,0,0|1,0,2]=4 9 B10R1.13 CC(C)C1=CNC(=O)N=C1 4089680 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 4045063 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [0,1,0,0,0,0|1,0,0]=2 12 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [0,1,0,0,0,0|0,0,0]=1 19 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,1,0,0,0,0|1,0,2]=4 21 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.61 CN(C)C1=NC=CC=C1N 4089183 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.61 NC1=CC=NC=C1B(O)O 4088782 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.113 CC(C)C1=CC=NC(O)=N1 4088319 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,0,0,0,1,0|3,0,0]=4 34 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,0,0,0,1,0|3,0,0]=4 35 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,0,0,0,1,0|3,0,0]=4 36 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,0,0,0,1,0|3,0,0]=4 37 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,0,1|1,0,2]=4 38 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [0,0,0,0,0,1|2,0,0]=3 40 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.1 CCC1=CN=C(O)N=C1 4090949 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.15 CC1=C(CCl)C=CN=C1 4010334 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.15 CC1=NC=CC=C1CCl 4088270 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.20 CC(C)NC1=NC=C(N)C=C1 4035510 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4090963 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,1,0,0,0,1|1,0,0]=3 60 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,1,0,0,0,1|1,0,0]=3 61 B11R1.86 CC(C)SC1=CC=CC=C1N 4090176 [0,1,0,0,0,1|1,0,0]=3 62 B11R1.86 NC1=CC=CC=C1OC(F)F 3002768 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4031422 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4089355 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 3002301 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4089525 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4088067 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4089293 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [0,2,0,0,0,0|1,0,0]=3 74 B11R1.16 CN(CCN)C1=CC=CC=C1 4088780 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4031261 [0,2,0,0,0,0|0,0,0]=2 76 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4090928 [0,2,0,0,0,0|0,0,0]=2 77 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 4088552 [0,2,0,0,0,0|1,0,0]=3 78 B11R1.53 NCC1=CC=CC=C1C(=O)O 4090789 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4022447 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4088194 [0,2,0,0,0,0|1,0,0]=3 81 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [0,1,0,1,0,0|1,0,1]=4 82 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [0,1,0,1,0,0|1,0,1]=4 83 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,1,0,1,0,0|1,0,0]=3 84 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [0,1,0,1,0,0|1,0,0]=3 85 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [0,1,0,1,0,0|1,0,0]=3 86 B11R2.239 C1=CC=C(C2CNC2)N=C1 4025152 [0,1,0,1,0,0|2,0,0]=4 87 B11R2.239 C1=CN=CC(C2CNC2)=C1 4037129 [0,1,0,1,0,0|2,0,0]=4 88 B11R2.55 NC1=C(C2CC2)C=CC=C1 4005989 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.1 C1=NC=C(CO)S1 4050354 [1,0,0,0,1,0|2,0,0]=4 90 B7R1.1 CCN1C=CC=N1 3020409 [1,0,0,0,1,0|2,0,0]=4