0 B9R1.8 CNCC1=CC=NC=C1 3002392 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 NCCC1=NC=CC=C1 3020070 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.2 BrCC1=CN=CC=C1 4090400 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.2 NCC1=NC=NC=C1 4102725 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.4 CC1=CC=CN=C1CCN 4002940 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.4 CNCC1=CC=CC=C1C 4090872 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.10 CNCC1=CC(C)=NC=C1 4019510 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [0,1,0,0,0,0|1,0,2]=4 26 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,1,0,0,0,0|0,0,0]=1 28 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [0,1,0,0,0,0|1,0,1]=3 30 B8R1.8 BrCCN1C=NC=N1 4089347 [0,0,0,0,1,0|3,0,0]=4 31 B8R1.8 CCCC1=NNC=N1 4089398 [0,0,0,0,1,0|2,0,0]=3 32 B8R1.8 CNCC1=CC=CS1 4087952 [0,0,0,0,1,0|2,0,0]=3 33 B8R1.8 CNCC1=CC=NN1 4088708 [0,0,0,0,1,0|2,0,1]=4 34 B8R1.8 CNCC1=CSC=N1 4088415 [0,0,0,0,1,0|2,0,0]=3 35 B8R1.8 CNCC1=NC=CN1 4088413 [0,0,0,0,1,0|2,0,0]=3 36 B8R1.8 CNCC1=NC=CS1 4090726 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.8 CNCC1=NOC=C1 2102254 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.8 ClCCC1=CNN=C1 4090809 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.8 ClCCC1=NC=CN1 4090066 [0,0,0,0,1,0|2,0,0]=3 40 B8R1.8 NCCC1=CC=CO1 4087953 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.8 NCCC1=CC=CS1 3020071 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.8 NCCC1=CNN=C1 4087965 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.8 NCCC1=CSC=N1 4090876 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.8 NCCN1C=CN=C1 4090168 [0,0,0,0,1,0|3,0,0]=4 45 B8R1.8 NNCC1=CC=CS1 4088418 [0,0,0,0,1,0|3,0,0]=4 46 B8R1.8 OCCC1=CC=CO1 4039978 [0,0,0,0,1,0|2,0,0]=3 47 B7R1.3 ClC1=CN=CC=N1 3020065 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.1 CC1=NC=C(CCl)N=C1 4090045 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.1 NCC1=NC=C(Cl)C=N1 4091048 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.2 CC1=CC(NN)=NC=C1 4032386 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 CC1=CC=CC(NN)=N1 4089071 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [1,1,0,0,0,0|1,0,0]=3 56 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.2 NCC1=CC(O)=NC=N1 4089851 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.2 NCC1=CC(O)=NC=N1 4110390 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [1,1,0,0,0,0|1,0,0]=3 60 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,1,0,0,0,0|0,0,0]=2 65 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.7 CC1=CC=C(CCN)S1 4004130 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.7 CC1=CN(CCN)N=C1 4089607 [0,1,0,0,1,0|2,0,0]=4 69 B9R1.7 CC1=CN(CCO)N=C1 4090132 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.7 CC1=NC(CCCl)=CS1 4088359 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.7 CC1=NN(CCN)C=C1 4016693 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.7 CCCN1C=C(N)C=N1 4090803 [0,1,0,0,1,0|1,0,0]=3 73 B9R1.7 CCCN1N=CC(N)=N1 4013410 [0,1,0,0,1,0|2,0,0]=4 74 B9R1.7 CNCC1=CSC(C)=N1 4087958 [0,1,0,0,1,0|2,0,0]=4 75 B9R1.7 CNCC1=CSC(C)=N1 4088268 [0,1,0,0,1,0|2,0,0]=4 76 B9R1.7 CNCC1=NC(C)=CN1 4090830 [0,1,0,0,1,0|2,0,0]=4 77 B9R1.7 CNCC1=NC(C)=CS1 4090988 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.7 CNCC1=NNC(C)=C1 4090898 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.7 CNCC1=NNC(C)=C1 4110852 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.7 NCCC1=CSC(N)=N1 4088132 [0,1,0,0,1,0|2,0,0]=4 81 B9R1.11 CC(CN)N1C=CC=N1 4090464 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [0,1,0,0,1,0|1,0,1]=4 83 B9R1.11 CCC(N)C1=NC=CS1 4090783 [0,1,0,0,1,0|1,0,0]=3 84 B9R1.11 CNC(C)C1=NC=CS1 2102324 [0,1,0,0,1,0|2,0,0]=4 85 B9R1.11 CNC(C)C1=NOC=C1 2102256 [0,1,0,0,1,0|2,0,0]=4 86 B9R1.12 BrCCCN1C=CN=C1 4089177 [0,1,0,0,1,0|2,0,0]=4 87 B9R1.12 CNCCC1=CNN=C1 4087966 [0,1,0,0,1,0|2,0,0]=4 88 B9R1.12 CNCCC1=CNN=C1 4101522 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.12 CNCCC1=NOC=N1 4044451 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.12 CNCCN1C=CN=C1 4089691 [0,1,0,0,1,0|2,0,0]=4 91 B9R1.12 ClCCCN1C=CC=N1 4089421 [0,1,0,0,1,0|1,0,0]=3 92 B9R1.12 NCCCC1=NC=CN1 4089532 [0,1,0,0,1,0|1,0,0]=3 93 B9R1.12 NCCCC1=NC=CS1 4101106 [0,1,0,0,1,0|1,0,0]=3 94 B9R1.12 NCCCN1C=CC=N1 4087812 [0,1,0,0,1,0|1,0,0]=3 95 B9R1.12 NCCCN1C=CN=N1 4088545 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.12 NCCCN1C=NC=N1 4088691 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.33 CC1=C(CCN)SC=C1 4090401 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.33 CNCC1=NC=CN1C 4088714 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.1 NCCOC1=CC=C(Br)C=C1 4090090 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4088197 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.20 CC(C)NC1=NC=C(N)C=C1 4035510 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.192 CCOC1=CC=C(N)C(F)=C1 4088072 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.17 NCCCC1=C(F)C=CC=C1 4090517 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.17 NCCCC1=CC=CC=C1Cl 4019783 [0,2,0,0,0,0|1,0,0]=3 109 B11R1.17 NCCCN1C=CC=CC1=O 4090788 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.41 CCOC1=NC=CC=C1CN 4090766 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.86 CC(C)SC1=CC=CC=C1N 4090176 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4031261 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4090928 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.24 CC1=CC(OCCN)=CC=C1 3001621 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.24 NC1=CC=CC(C\C=N\O)=N1 3002347 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.24 NCCCC1=CC(F)=CC=C1 4089959 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.24 NCCOC1=CC(Cl)=CC=C1 3002038 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.34 CC1=CC(C)=NC(CCN)=N1 4089424 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.34 CC1=NC(CCN)=CC(O)=N1 4090402 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.34 NCCC1=NC(O)=CC(N)=N1 4090661 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.34 NCCC1=NC(O)=CC(O)=N1 4088115 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,2,0,0,0,0|1,0,1]=4 123 B11R1.157 CN(C)CC1=NC(Cl)=CN=C1 4026992 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.189 CNCC1=NC=CC(OC)=C1 4016647 [0,2,0,0,0,0|1,0,0]=3 125 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.16 CN(CCN)C1=CC=CC=C1 4088780 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4090963 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.28 C#CCNCC1=CC=CC=C1 4089987 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.28 CNC\C=C\C1=CC=CC=C1 9070687 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.28 NCCCCC1=NC=CC=C1 4014928 [0,2,0,0,0,0|0,0,0]=2 134 B11R1.28 NCCCOC1=CC=CC=C1 4087883 [0,2,0,0,0,0|1,0,0]=3 135 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,2,0,0,0,0|1,0,1]=4 136 B9R2.3 C1=NC2=C(CCC2)N1 4085442 [0,0,0,1,1,0|1,0,0]=3 137 B9R2.3 C1=NNC2=C1CCC2 4088327 [0,0,0,1,1,0|1,0,1]=4 138 B11R2.36 NC1=CC2=C(C=C1)NCC2 3020471 [0,1,0,1,0,0|2,0,0]=4 139 B11R2.10 CC1=NC2=CC=CN=C2N1 4089154 [0,1,0,1,0,0|1,0,1]=4 140 B11R2.55 NC1=C(C2CC2)C=CC=C1 4005989 [0,1,0,1,0,0|1,0,0]=3 141 B11R2.35 ClC1=NC=NC(C2CC2)=C1 4039198 [0,1,0,1,0,0|1,0,0]=3 142 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,1,0,1,0,0|2,0,0]=4 143 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [0,1,0,1,0,0|1,0,0]=3 144 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [0,1,0,1,0,0|1,0,0]=3 145 B11R2.239 C1=CC=C(C2CNC2)N=C1 4025152 [0,1,0,1,0,0|0,0,0]=2 146 B11R2.239 C1=CN=CC(C2CNC2)=C1 4037129 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.1 CCN1C=CC=N1 3020409 [1,0,0,0,1,0|1,0,0]=3 148 B7R1.1 ClCC1=CNC=N1 4089538 [1,0,0,0,1,0|2,0,0]=4 149 B7R1.1 ClCC1=CSC=N1 4089258 [1,0,0,0,1,0|2,0,0]=4 150 B7R1.1 ClCC1=NC=CS1 4089816 [1,0,0,0,1,0|2,0,0]=4 151 B7R1.1 NCC1=NC=CN1 4089830 [1,0,0,0,1,0|2,0,0]=4 152 B7R1.1 NCC1=NOC=C1 2102253 [1,0,0,0,1,0|2,0,0]=4 153 B7R1.1 NCC1=NOC=C1 4088492 [1,0,0,0,1,0|2,0,0]=4