0 B8R1.8 BrCCN1C=CC=N1 4016104 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CCCC1=CNN=C1 4044489 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CCCC1=NNC=N1 4040033 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CCCC1C=CCN1 4029126 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.8 CNCC1=CC=CO1 2102243 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.8 CNCC1=CC=CS1 4100657 [0,0,0,0,0,0|1,1,0]=2 6 B8R1.8 CNCC1=CC=NN1 2102295 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 CNCC1=CSC=C1 4100799 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 CNCC1=CSC=N1 2102331 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.8 CNCC1=NC=CN1 4101395 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 CNCC1=NC=CS1 2102322 [0,0,0,0,0,0|2,1,0]=3 11 B8R1.8 CNCC1=NOC=N1 2102273 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 COCC1=NNC=N1 4036227 [0,0,0,0,0,0|3,1,0]=4 13 B8R1.8 CSCC1=NN=NN1 4033283 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 ClCCC1=NC=CN1 4045713 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 ClCCN1C=CC=N1 4017546 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 NCCC1=CC=CO1 4100671 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.8 NCCC1=CC=NN1 4003532 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 NCCC1=CSC=N1 4004027 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 NCCC1=NC=CN1 4013124 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 NCCC1=NC=CS1 4100726 [0,0,0,0,0,0|3,1,0]=4 21 B8R1.8 NCCN1C=CC=C1 4028584 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 NCCN1C=CC=N1 2102292 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.8 NCCN1C=CC=N1 4087747 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.8 NNCC1=CC=CS1 4044222 [0,0,0,0,0,0|2,1,0]=3 25 B8R1.8 OCCN1C=CC=N1 4027736 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.1 BrCC1=NC=CS1 4044498 [1,0,0,0,0,0|2,1,0]=4 27 B7R1.1 CCC1=CNN=C1 4044718 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 CCC1=NNC=C1 4042936 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.1 CCC1=NNC=N1 4034840 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 CCC1C=CCN1 4030606 [1,0,0,0,0,0|1,0,2]=4 31 B7R1.1 ClCC1=CN=CS1 4901510 [1,0,0,0,0,0|2,1,0]=4 32 B7R1.1 ClCC1=CNC=N1 4014209 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 ClCC1=CSC=N1 4034757 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 ClCC1=NC=CS1 4016914 [1,0,0,0,0,0|2,1,0]=4 35 B7R1.1 NCC1=CC=NN1 2102294 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.1 NCC1=CC=NO1 2102257 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 NCC1=CSC=C1 4089439 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 NCC1=CSC=C1 4100798 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 NCC1=CSC=N1 2102330 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 NCC1=NC=CN1 4087964 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 NCC1=NC=CN1 4101394 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 NCC1=NC=CS1 2102321 [1,0,0,0,0,0|2,1,0]=4 43 B9R1.7 CC1=CC=C(CCN)O1 4004579 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.7 CC1=NOC(CC#N)=C1 4041101 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.7 CCCC1=NC(Br)=NO1 4039847 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.7 CCCC1=NC(N)=NO1 4040751 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.7 CCCC1=NC=C(Br)N1 4043150 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.7 CCCC1=NN=C(N)O1 4025567 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.7 CCCN1C=C(N)C=N1 4036149 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.7 CNCC1=CC(C)=NO1 4100871 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.7 CNCC1=CC=C(C)O1 4004552 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.7 CNCC1=CC=C(C)S1 4088696 [0,1,0,0,0,0|1,1,0]=3 53 B9R1.7 CNCC1=CC=C(C)S1 4100661 [0,1,0,0,0,0|1,1,0]=3 54 B9R1.7 CNCC1=CSC(C)=N1 4101062 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.7 CNCC1=NC(C)=CN1 4101884 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.7 CNCC1=NC(C)=CS1 4101071 [0,1,0,0,0,0|2,1,0]=4 57 B9R1.7 CNCC1=NC(C)=NO1 4102647 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.7 CNCC1=NN=C(C)O1 4101408 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.7 CNCC1=NNC(C)=C1 4002231 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.7 CNCC1=NOC(C)=C1 4003549 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.7 COCC1=NN=C(N)O1 4041599 [0,1,0,0,0,0|2,1,0]=4 62 B9R1.11 CCC(N)C1=CC=CS1 4089935 [0,1,0,0,0,0|1,1,0]=3 63 B9R1.11 CCC(N)C1=CC=CS1 4101664 [0,1,0,0,0,0|1,1,0]=3 64 B9R1.11 CCC(N)C1=NC=CS1 4006224 [0,1,0,0,0,0|2,1,0]=4 65 B9R1.11 CNC(C)C1=CC=CS1 4088898 [0,1,0,0,0,0|1,1,0]=3 66 B9R1.11 CNC(C)C1=CC=CS1 4100659 [0,1,0,0,0,0|1,1,0]=3 67 B9R1.11 N\C(=N/O)C1=CC=CO1 4031756 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.12 ClCCCN1C=CC=N1 4027320 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.12 NCCCC1=CC=CO1 4028902 [0,1,0,0,0,0|1,0,0]=2 70 B9R1.12 NCCCC1=NC=CN1 4013125 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.12 NCCCN1C=CC=C1 4027319 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.12 NCCCN1C=CC=N1 4004508 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.12 O=C=NCC1=CC=CS1 4012287 [0,1,0,0,0,0|1,1,1]=4 74 B9R1.12 OCCCN1C=CC=N1 4010681 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [0,1,0,0,0,0|1,1,0]=3 76 B9R1.13 CC(=O)CN1C=CC=N1 4027130 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.13 CC(C)CC1=NC=CN1 4039941 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.13 CC(N)CN1C=CC=N1 4004436 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.33 CCCN1N=CC=C1N 4014296 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.33 CN1C=CC=C1CC#N 4044903 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.33 CN1C=CC=C1CCN 4004553 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.33 CNCC1=C(C)C=CS1 4004556 [0,1,0,0,0,0|1,1,0]=3 83 B9R1.33 CNCC1=C(C)C=CS1 4091068 [0,1,0,0,0,0|1,1,0]=3 84 B9R1.33 CNCC1=NC=CN1C 4101396 [0,1,0,0,0,0|3,0,0]=4 85 B9R2.2 C1=NNC(C2CC2)=C1 4031734 [0,0,0,1,0,0|3,0,0]=4 86 B9R2.3 C1=NNC2=C1CCC2 4033386 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.8 BrCCC1=CC=CN=C1 4054467 [0,0,0,0,0,1|3,0,0]=4 88 B9R1.8 BrCCC1=NC=CC=C1 4028495 [0,0,0,0,0,1|3,0,0]=4 89 B9R1.8 BrCCC1=NC=CC=C1 4090022 [0,0,0,0,0,1|3,0,0]=4 90 B9R1.8 CNCC1=CC=CC=N1 4004537 [0,0,0,0,0,1|2,0,0]=3 91 B9R1.8 CNCC1=NC=NC=C1 4102726 [0,0,0,0,0,1|2,0,0]=3 92 B9R1.8 NCCC1=CC=CN=C1 4005651 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.8 NCCC1=NC=CN=C1 4003591 [0,0,0,0,0,1|3,0,0]=4 94 B9R1.8 NCCC1=NC=CN=C1 4091207 [0,0,0,0,0,1|3,0,0]=4 95 B6R1.2 BrC1=NC=CO1 4039122 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.1 CC1=CC=C(CN)S1 4100660 [1,1,0,0,0,0|1,1,0]=4 97 B8R1.1 CC1=NOC(CCl)=C1 4003178 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.1 CC1=NOC(CN)=C1 4100870 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.1 CC1=NOC(CO)=C1 4003172 [1,1,0,0,0,0|1,1,0]=4 100 B8R1.1 CCC1=CC(O)=NN1 4042794 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.1 CCC1=CSC(N)=N1 4108214 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.1 CCC1=NC(Br)=NO1 4041463 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.1 CCC1=NC(Cl)=NO1 4041485 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.1 CCC1=NN=C(O)O1 4040660 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.1 CCN1C=C(Br)C=N1 4033612 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.1 CCN1C=C(N)C=N1 4029452 [1,1,0,0,0,0|2,0,0]=4 107 B8R1.1 CCN1C=CC(N)=N1 4031413 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.1 NCC1=CC=C(Br)S1 4089738 [1,1,0,0,0,0|1,1,0]=4 109 B8R1.1 NCC1=CC=C(Br)S1 4191314 [1,1,0,0,0,0|1,1,0]=4 110 B8R1.7 CC(N)C1=CC=CS1 4100658 [1,1,0,0,0,0|0,1,0]=3 111 B8R1.7 CC(N)C1=CSC=C1 4100800 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.7 CC(N)C1=NC=CN1 4040236 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.7 CC(N)C1=NC=CS1 2102323 [1,1,0,0,0,0|1,1,0]=4 114 B8R1.7 N=C(N)C1=CC=CO1 4030998 [1,1,0,0,0,0|1,0,1]=4 115 B8R1.11 CC1=C(CN)SC=C1 4004093 [1,1,0,0,0,0|1,1,0]=4 116 B8R1.11 CCC1=NNC=C1Br 4043791 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.11 CCN1N=CC=C1Br 4043527 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.1 CNCC1=CC=C(Cl)N=C1 4035407 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.1 CSCC1=CC=C(Cl)N=C1 4039957 [0,1,0,0,0,1|1,0,0]=3 121 B10R1.4 CNCC1=C(C)C=NC=C1 4010336 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.4 CNCC1=C(C)C=NC=C1 4089764 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.4 CNCC1=CC=CC=C1C 4028163 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.4 CNCC1=CC=CN=C1Cl 4019511 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.4 CNCC1=CC=CN=C1Cl 4090749 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.4 CNCC1=NC=CC=C1C 4003220 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.10 COCC1=CC(Cl)=NC=N1 4037697 [0,1,0,0,0,1|1,1,0]=4 129 B10R1.10 COCC1=CC(N)=NC=N1 4038286 [0,1,0,0,0,1|1,1,0]=4 130 B10R1.10 COCC1=CC(O)=NC=N1 4038620 [0,1,0,0,0,1|1,1,0]=4 131 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.15 CCC(N)C1=CC=NC=C1 4011086 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.15 CCC(N)C1=NC=CC=C1 4025877 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.15 CNC(C)C1=CC=NC=C1 4087979 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.15 CNC(C)C1=CC=NC=C1 4089962 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.15 CNC(C)C1=CC=NC=C1 4102792 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.15 CNC(C)C1=NC=NC=C1 4102730 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.17 BrCCCC1=CC=CN=C1 4027035 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.17 CCNCC1=NC=CC=C1 9070750 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.17 CNCCC1=CC=NC=C1 4004718 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.17 CNCCC1=CC=NC=C1 4087817 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.17 NCCCC1=CC=CN=C1 4003523 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.17 NCCCC1=CC=NC=C1 4003521 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.17 NCCCC1=NC=CC=C1 4004571 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [0,1,0,0,0,1|2,0,0]=4 152 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [0,1,0,0,0,1|2,0,0]=4 153 B10R1.18 CC(N)CC1=NC=CN=C1 4010867 [0,1,0,0,0,1|2,0,0]=4 154 B10R1.18 CC(N)CC1=NC=CN=C1 4087844 [0,1,0,0,0,1|2,0,0]=4 155 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.14 CNC(=O)C1=CC=C(Br)O1 7344619 [0,2,0,0,0,0|1,0,1]=4 157 B10R1.16 CCNCC1=CC=C(C)O1 4030468 [0,2,0,0,0,0|1,0,0]=3 158 B10R1.16 CCNCC1=CC=C(C)O1 4089639 [0,2,0,0,0,0|1,0,0]=3 159 B10R1.96 CCC1=NOC(CNC)=C1 4034176 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.96 CSCC1=NC(CN)=CS1 4032488 [0,2,0,0,0,0|1,1,0]=4 161 B10R1.11 CCCC(N)C1=CC=CS1 4030430 [0,2,0,0,0,0|1,1,0]=4 162 B10R1.11 CCCC(N)C1=CC=CS1 4090292 [0,2,0,0,0,0|1,1,0]=4 163 B10R1.21 C#CCNCC1=CC=CO1 4001808 [0,2,0,0,0,0|1,0,0]=3 164 B10R1.21 CCCNCC1=CC=CO1 9070945 [0,2,0,0,0,0|1,0,0]=3 165 B10R1.21 OCCNCC1=CC=CO1 9072041 [0,2,0,0,0,0|1,0,0]=3 166 B10R1.21 OCCNCC1=CC=CS1 4003031 [0,2,0,0,0,0|1,1,0]=4 167 B10R1.27 CCC(=O)CC1=CC=CO1 4027298 [0,2,0,0,0,0|1,0,0]=3