0 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.1 C#CCOC1=CC=C(N)C=C1 4089055 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.1 NCCOC1=CC=C(Br)C=C1 4090090 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4088197 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.16 CN(CCN)C1=CC=CC=C1 4088780 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.17 C=CCOC1=CC=CC=C1N 4090105 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.17 NCCCC1=C(F)C=CC=C1 4090517 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.17 NCCCC1=CC=CC=C1Cl 4019783 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.17 NCCCN1C=CC=CC1=O 4090788 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.24 CC1=CC(OCCN)=CC=C1 3001621 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.24 NCCCC1=CC(F)=CC=C1 4089959 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.24 NCCOC1=CC(Cl)=CC=C1 3002038 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.28 C#CCNCC1=CC=CC=C1 4089987 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.28 CNC\C=C\C1=CC=CC=C1 9070687 [0,1,0,0,0,0|0,0,1]=2 23 B11R1.28 NCCCCC1=NC=CC=C1 4014928 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.28 NCCCOC1=CC=CC=C1 4087883 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [0,1,0,0,0,0|3,0,0]=4 28 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [0,0,0,1,0,0|3,0,0]=4 29 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,0,0,1,0,0|3,0,0]=4 30 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [0,0,0,1,0,0|0,0,0]=1 32 B11R2.239 C1=CC=C(C2CNC2)N=C1 4025152 [0,0,0,1,0,0|1,0,0]=2 33 B11R2.239 C1=CN=CC(C2CNC2)=C1 4037129 [0,0,0,1,0,0|1,0,0]=2 34 B9R1.12 CNCCC1=CNN=C1 4087966 [0,0,0,0,1,0|2,0,0]=3 35 B9R1.12 CNCCC1=CNN=C1 4101522 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.12 CNCCC1=NOC=N1 4044451 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.12 CNCCN1C=CN=C1 4089691 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.2 BrCC1=CN=CC=C1 4090400 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 NCC1=NC=NC=C1 4102725 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 NNC1=CC=CN=C1 4090882 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 NNC1=CC=NC=C1 4089280 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.4 CC1=CC=CN=C1CCN 4002940 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.10 CNCC1=CC(C)=NC=C1 4019510 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.16 CNCCN1C=C(C)C=N1 4028270 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.16 CNCCN1C=C(C)C=N1 4089345 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.29 CNCCN1C=CN=C1C 4091015 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.1 COCCOC1=CC=C(N)C=C1 4087798 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 4090731 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 4090718 [0,2,0,0,0,0|0,0,1]=3 70 B12R1.34 NNC(=O)[C@@H](O)C1=CC=CC=C1 4065828 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 4088303 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.267 NCCOCC1=CC=CC=C1Cl 3001701 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.28 COCCOC1=CC(N)=CC=C1 4090460 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4091020 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.8 CCNCCCC1=CC=CC=C1 4090411 [0,2,0,0,0,0|0,0,0]=2 77 B12R1.8 OCCCNCC1=CC=CC=C1 4090615 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.8 OCCCNCC1=CC=CN=C1 4088440 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.8 OCCCNCC1=CC=NC=C1 4090835 [0,2,0,0,0,0|2,0,0]=4 80 B10R2.136 C1=CN(C2CNC2)N=C1 4090186 [0,0,0,1,1,0|2,0,0]=4 81 B12R2.24 BrC1=CC=C2CCNCC2=C1 4002740 [0,1,0,1,0,0|0,0,0]=2 82 B12R2.24 ClC1=CC2=C(C=N1)CCCC2 4044604 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4087906 [0,1,0,1,0,0|1,0,0]=3 84 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [0,1,0,1,0,0|2,0,0]=4 85 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,1,0,1,0,0|2,0,0]=4 86 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.132 CN1C=NC2=CC=C(N)C=C21 4088011 [0,1,0,1,0,0|1,0,1]=4 88 B12R2.22 N[C@H]1C[C@@H](C2=CC=NC=C2)C1 4077112 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.22 N[C@H]1C[C@@H](C2=CN=CC=C2)C1 4072765 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.22 N[C@H]1C[C@H](C2=CC=NC=C2)C1 4074994 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.22 N[C@H]1C[C@H](C2=CN=CC=C2)C1 4079107 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.1081 ClC1=C2CCNCC2=CC=C1 4090148 [0,1,0,1,0,0|0,0,0]=2 93 B12R2.1081 NC1CCCC2=NC=CC=C21 4031914 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.1081 O=C1NC=NC2=C1CNCC2 4021039 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.32 CNC1CC2=CC=CC=C2C1 4089485 [0,1,0,1,0,0|0,0,0]=2 96 B12R2.196 CN1C=CC2=C1C=CC=C2N 4090799 [0,1,0,1,0,0|0,0,2]=4 97 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 4090937 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4089156 [0,1,0,1,0,0|0,0,0]=2 99 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4088247 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.8 CNCC1=CC=CS1 4087952 [1,0,0,0,1,0|1,0,0]=3 101 B8R1.8 CNCC1=CC=NN1 4088708 [1,0,0,0,1,0|2,0,0]=4 102 B8R1.8 CNCC1=CSC=N1 4088415 [1,0,0,0,1,0|2,0,0]=4 103 B8R1.8 CNCC1=NC=CN1 4088413 [1,0,0,0,1,0|2,0,0]=4 104 B8R1.8 CNCC1=NC=CS1 4090726 [1,0,0,0,1,0|2,0,0]=4 105 B8R1.8 CNCC1=NOC=C1 2102254 [1,0,0,0,1,0|2,0,0]=4 106 B8R1.8 NCCC1=CC=CO1 4087953 [1,0,0,0,1,0|1,0,0]=3 107 B8R1.8 NCCC1=CC=CS1 3020071 [1,0,0,0,1,0|1,0,0]=3 108 B8R1.8 NCCC1=CNN=C1 4087965 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.8 NCCC1=CSC=N1 4090876 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.8 NCCN1C=CN=C1 4090168 [1,0,0,0,1,0|2,0,0]=4 111 B8R1.8 NNCC1=CC=CS1 4088418 [1,0,0,0,1,0|2,0,0]=4 112 B8R1.8 OCCC1=CC=CO1 4039978 [1,0,0,0,1,0|2,0,0]=4