0 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.16 CN(CCN)C1=CC=CC=C1 4088780 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4090963 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4031261 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4090928 [0,1,0,0,0,0|1,0,0]=2 23 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [0,0,0,1,0,0|1,0,1]=3 24 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,0,0,1,0,0|2,0,0]=3 25 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [0,0,0,1,0,0|2,0,0]=3 26 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [0,0,0,1,0,0|0,0,0]=1 27 B11R2.239 C1=CC=C(C2CNC2)N=C1 4025152 [0,0,0,1,0,0|1,0,0]=2 28 B11R2.239 C1=CN=CC(C2CNC2)=C1 4037129 [0,0,0,1,0,0|1,0,0]=2 29 B9R1.11 CC(CN)N1C=CC=N1 4090464 [0,0,0,0,1,0|2,0,0]=3 30 B9R1.11 CC(CN)N1C=CN=C1 4014564 [0,0,0,0,1,0|2,0,0]=3 31 B9R1.11 CC(CN)N1C=CN=C1 4088378 [0,0,0,0,1,0|2,0,0]=3 32 B9R1.11 CC(CN)N1C=NC=N1 4014565 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.11 CC(CN)N1C=NC=N1 4088423 [0,0,0,0,1,0|3,0,0]=4 34 B8R1.2 BrCC1=CN=CC=C1 4090400 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.2 NCC1=NC=NC=C1 4102725 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.2 NNC1=CC=CN=C1 4090882 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.2 NNC1=CC=NC=C1 4089280 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.13 CC(C)C1=CNC(=O)N=C1 4089680 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 4045063 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.61 CN(C)C1=NC=CC=C1N 4089183 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.113 CC(C)C1=CC=NC(O)=N1 4088319 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [1,1,0,0,0,0|0,0,0]=2 52 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.4 CC1=CC=CN=C1CCN 4002940 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.17 CCNCC1=CC=CN=C1 9070410 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,1,0,0,0,0|0,0,0]=2 68 B10R1.17 NCCSC1=NC=CC=C1 4090640 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [1,1,0,0,0,0|0,0,1]=3 70 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.14 CC1=CN(C(C)CN)N=C1 4026968 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.14 CC1=CN(C(C)CN)N=C1 4088448 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4089528 [0,1,0,0,0,1|1,0,1]=4 77 B12R1.371 NCC(=O)NC1=CC=CC=C1Br 4090170 [0,1,0,0,0,1|1,0,1]=4 78 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 4090016 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.478 CN(C)C(CN)C1=NC=CC=C1 4017788 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4089836 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.354 CCC(N)C1=C(Cl)C=CC(Cl)=C1 3001635 [0,2,0,0,0,0|2,0,0]=4 82 B10R2.136 C1=CN(C2CNC2)N=C1 4090186 [0,0,0,1,1,0|2,0,0]=4 83 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4090819 [0,0,0,1,0,1|1,0,1]=4 84 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4087906 [0,0,0,1,0,1|2,0,0]=4 85 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [0,0,0,1,0,1|2,0,0]=4 86 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,0,0,1,0,1|2,0,0]=4 87 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [0,0,0,1,0,1|2,0,0]=4 88 B12R2.32 CNC1CC2=CC=CC=C2C1 4089485 [0,0,0,1,0,1|2,0,0]=4 89 B12R2.32 NCC1=CC2=CC=CC=C2S1 4090276 [0,0,0,1,0,1|0,0,2]=4 90 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 4088829 [0,0,0,1,0,1|1,0,1]=4 91 B12R2.32 NCC1=NC2=CC=CC=C2O1 4090316 [0,0,0,1,0,1|1,0,1]=4 92 B12R2.32 NCC1=NC2=CC=CC=C2S1 4089635 [0,0,0,1,0,1|1,0,1]=4 93 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4088247 [0,0,0,1,0,1|2,0,0]=4 94 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4089156 [0,0,0,1,0,1|0,0,0]=2 95 B12R2.48 NCC1(C2=CC=CC=C2)CC1 4004583 [0,1,0,1,0,0|0,0,0]=2 96 B12R2.22 N[C@H]1C[C@@H](C2=CC=NC=C2)C1 4077112 [0,1,0,1,0,0|1,0,0]=3 97 B12R2.22 N[C@H]1C[C@@H](C2=CN=CC=C2)C1 4072765 [0,1,0,1,0,0|1,0,0]=3 98 B12R2.22 N[C@H]1C[C@H](C2=CC=NC=C2)C1 4074994 [0,1,0,1,0,0|1,0,0]=3 99 B12R2.22 N[C@H]1C[C@H](C2=CN=CC=C2)C1 4079107 [0,1,0,1,0,0|1,0,0]=3 100 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 4090420 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 4088527 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 4088725 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.88 CC1=CC=CC=C1C2(N)CC2 4088878 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.88 NC1(C2=CC=CC=C2Cl)CC1 4089725 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.7 CC(C)C1=CC=NN1 4040291 [1,0,0,0,1,0|2,0,0]=4 106 B8R1.7 CC(N)C1=NC=CS1 4087749 [1,0,0,0,1,0|2,0,0]=4 107 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [1,0,0,0,1,0|2,0,0]=4 108 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.8 NCCC1=CC=CO1 4087953 [1,0,0,0,1,0|1,0,0]=3 110 B8R1.8 NCCC1=CC=CS1 3020071 [1,0,0,0,1,0|1,0,0]=3 111 B8R1.8 NCCC1=CNN=C1 4087965 [1,0,0,0,1,0|2,0,0]=4 112 B8R1.8 NCCC1=CSC=N1 4090876 [1,0,0,0,1,0|2,0,0]=4 113 B8R1.8 NCCN1C=CN=C1 4090168 [1,0,0,0,1,0|2,0,0]=4 114 B8R1.8 NNCC1=CC=CS1 4088418 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.8 OCCC1=CC=CO1 4039978 [1,0,0,0,1,0|2,0,0]=4