0 B11R2.106 BrC1=C2NN=CC2=CN=C1 BLN00050 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.106 CC1=CN=CC2=C1NN=C2 BLN00046 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.106 ClC1=CN=CC2=C1NN=C2 BLN00071 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.106 O=C1NC=CC2=C1OC=C2 SYX00434 [0,0,0,0,0,0|2,0,0]=2 8 B11R2.106 O=C1NC=CN2C1=CC=C2 SYX00423 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.106 O=C1NC=NC2=C1C=CS2 JRD0205 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.106 O=C1NCCC2=C1C=CN2 PH003760 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.106 O=C1NN=CC2=CC=CN12 CBR02207 [0,0,0,0,0,0|2,0,0]=2 12 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,0,0,0,0,0|2,0,1]=3 13 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 PH009705 [0,0,0,0,0,0|3,0,1]=4 14 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,0,0|1,0,0]=2 15 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [1,0,0,0,0,0|2,0,0]=3 16 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,0,0|1,0,1]=3 17 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [1,0,0,0,0,0|2,0,1]=4 18 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,0,0|2,0,1]=4 19 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.196 BrC1=CN=CC2=C1NN=C2Br BLN00059 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.196 BrC1=CN=CC2=C1NN=C2I BLN00062 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.196 ClC1=CN=CC2=C1NN=C2Br BLN00026 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.196 ClC1=CN=CC2=C1NN=C2I BLN00029 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.196 O=C1NC=CC2=C1NN=C2Br T144045 [0,1,0,0,0,0|2,0,0]=3 26 B12R2.196 O=C1NC=NC2=C1SC=C2Br PHB00093 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.203 CN1C=NC2=CN=CC(=C12)Br ADE001224 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.246 ClC1=C2NC=CC2=CC(=N1)Br ADE001027 [0,1,0,0,0,0|2,0,1]=4 29 B12R2.246 NC1=CC(=CC2=C1NC=C2)Br CDS015232 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.315 N#CC1=CC=CC2=C1NC=C2 CDS008484 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.315 OCC1=CC=CC2=C1NC=C2 CDS008595 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.11 CCOC(=O)C1=CC=CN1 CDS000975 [0,0,1,0,0,0|2,0,1]=4 33 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,0,0,0,0,1|2,0,1]=4 34 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,0,0,0,0,1|2,0,0]=3 35 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,0,0,0,0,1|2,0,1]=4 36 B9R1.3 O=C1NN=CC(=C1Br)Br S412538 [1,0,1,0,0,0|2,0,0]=4 37 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,1,0,0,0|2,0,0]=4 38 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [1,0,1,0,0,0|1,0,1]=4 40 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [1,0,1,0,0,0|1,0,1]=4 41 B9R1.41 NC(=O)C1=C(C=NN1)N CBR00702 [1,0,1,0,0,0|1,0,1]=4 42 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.172 CC(=O)N/N=C/C1=CC=CO1 S592595 [0,1,1,0,0,0|2,0,0]=4 44 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [1,1,0,0,0,0|2,0,0]=4 45 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [1,1,0,0,0,0|2,0,0]=4 46 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,1,0,0,0,0|2,0,0]=4 47 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [1,1,0,0,0,0|2,0,0]=4 48 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [1,1,0,0,0,0|1,0,1]=4 49 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [1,1,0,0,0,0|1,0,1]=4 50 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [1,1,0,0,0,0|2,0,0]=4 51 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,1,0,0,0,1|2,0,0]=4 53 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [0,1,0,0,0,1|2,0,0]=4 54 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [0,1,0,0,0,1|1,0,0]=3 55 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br SYX00211 [0,1,0,0,0,1|2,0,0]=4 56 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)Cl T160946 [0,1,0,0,0,1|1,0,0]=3 57 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)[O-] S849197 [0,1,0,0,0,1|1,0,0]=3 58 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [0,1,0,0,0,1|2,0,0]=4 59 B13R2.5569 O=C(O)C1=CC=CC2=C1NC=C2 PH006856 [0,2,0,0,0,0|2,0,0]=4 60 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,0,1,0|2,0,0]=4 61 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [2,0,1,0,0,0|1,0,0]=4 62 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [2,0,1,0,0,0|1,0,0]=4 63 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [2,0,1,0,0,0|1,0,0]=4 64 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [2,0,1,0,0,0|0,0,0]=3 65 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [2,0,1,0,0,0|0,1,0]=4 66 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [1,1,1,0,0,0|1,0,0]=4 67 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,1,1,0,0,1|1,0,0]=4 68 B12R1.267 O=CN/N=C/C1=CC=CC=C1O L496960 [0,1,1,0,0,1|1,0,0]=4 69 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,1,0,2,0|1,0,0]=4