0 B11R2.106 BrC1=C2NN=CC2=CN=C1 BLN00050 [0,0,0,0,0,0|3,0,1]=4 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=CN=CC2=C1NN=C2 BLN00046 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.106 ClC1=CN=CC2=C1NN=C2 BLN00071 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.106 ClC1=NC=CC2=NC=NN12 SYX00162 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.106 NC1=CC=CC2=NC=CN12 CDS016722 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.106 O=C1NN=CC2=CC=CN12 CBR02207 [0,0,0,0,0,0|2,0,1]=3 8 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,0,0,0,0,0|3,0,0]=3 10 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,0,0,0,0,0|2,0,1]=3 11 B11R2.106 OC1=CC=CC2=NSN=C12 CDS006284 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.106 OC1=NC=CC2=NC=NN12 SYX00161 [0,0,0,0,0,0|3,0,0]=3 13 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,0,0|3,0,0]=4 14 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,0,0|3,0,0]=4 15 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,0,0|1,0,1]=3 16 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [1,0,0,0,0,0|2,0,1]=4 17 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,0,0|3,0,0]=4 18 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,0,0|3,0,0]=4 19 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.82 CC1=C(C=CC2=NC=NN12)Br SYX00182 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.202 NC1=NN2C(=CC=CC2=N1)Br SYX00257 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.315 COC1=C2C=CNC2=CN=C1 ADE001011 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.315 OCC1=CC=CC2=C1NC=C2 CDS008595 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.4 C=CCN1C=CC=CC1=O T161047 [0,0,1,0,0,0|2,0,1]=4 26 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [0,0,0,0,0,1|3,0,0]=4 27 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,0,0,0,0,1|3,0,0]=4 28 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [0,0,0,0,0,1|3,0,0]=4 29 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,0,0,0,0,1|3,0,0]=4 30 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [0,0,0,0,0,1|2,0,0]=3 31 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,0,0,0,0,1|2,0,0]=3 32 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,0,0,0,0,1|2,0,0]=3 33 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [1,0,1,0,0,0|1,0,1]=4 34 B11R2.36 BrC1=CC2=NC=NN2C=C1 SYX00403 [1,1,0,0,0,0|2,0,0]=4 35 B11R2.36 BrC1=CN2N=CN=C2C=C1 SYX00141 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O TMT00194 [0,1,0,0,0,1|2,0,0]=4 37 B13R2.371 OC1=CC=C(C2=C1N=CC=C2)Cl R277053 [0,1,0,0,0,1|2,0,0]=4 38 B13R2.1613 OCC1=CC=CC2=CC=CN=C12 CDS021555 [0,1,0,0,0,1|2,0,0]=4 39 B13R2.121 COC1=C2OC=CC2=CN=C1Br ADE001207 [0,2,0,0,0,0|2,0,0]=4 40 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [0,0,1,1,0,0|2,0,0]=4 41 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,0,1,1,0,1|1,0,0]=4