0 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [0,0,0,0,0,0|3,0,0]=3 1 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,0,0|3,0,0]=4 2 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,0,0|3,0,0]=4 3 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [1,0,0,0,0,0|2,0,0]=3 4 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,0,0|3,0,0]=4 5 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,0,1,0,0,0|2,0,1]=4 7 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [0,0,1,0,0,0|3,0,0]=4 8 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,0,0,0,1|3,0,0]=4 9 B12R2.1081 BrC1=CC=CC2=CN=NC=C12 CDS021144 [0,0,0,0,0,1|2,0,1]=4 10 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,0,0,0,0,1|3,0,0]=4 11 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [0,0,0,0,0,1|3,0,0]=4 12 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,0,0,0,0,1|3,0,0]=4 13 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,0,0,0,0,1|3,0,0]=4 14 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,0,0,0,0,1|3,0,0]=4 15 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,0,0,0,0,1|2,0,0]=3 16 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,0,0,0,0,1|3,0,0]=4 17 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,1,0,0,0|2,0,0]=4 18 B9R1.33 CC1=C(SC=C1)/C=N/N R128422 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,1,1,0,0,0|2,0,0]=4 20 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,1,1,0,0,0|2,0,0]=4 21 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [1,1,0,0,0,0|2,0,0]=4 22 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [1,1,0,0,0,0|2,0,0]=4 23 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 CDS021194 [1,1,0,0,0,0|2,0,0]=4 24 B11R2.106 O=C1NN=CC2=CC=CN12 CBR02207 [1,1,0,0,0,0|2,0,0]=4 25 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,1,0,0,0,1|2,0,0]=4 26 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl S658367 [0,1,0,0,0,1|2,0,0]=4 27 B13R2.162 ClC1=NC=NC2=CC=C(C=C12)I PH009966 [0,1,0,0,0,1|2,0,0]=4 28 B13R2.162 NC1=NC=NC2=C1C=C(C=C2)Br CDS007914 [0,1,0,0,0,1|2,0,0]=4 29 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [0,1,0,0,0,1|2,0,0]=4 30 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [0,1,0,0,0,1|2,0,0]=4 31 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,1,0,0,0,1|2,0,0]=4 32 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [0,1,0,0,0,1|2,0,0]=4 33 B13R2.371 OC1=CC=C(C2=C1C=CC=N2)Cl PH017861 [0,1,0,0,0,1|2,0,0]=4 34 B13R2.1613 OCC1=CC=CC2=NC=CC=C12 CDS009892 [0,1,0,0,0,1|2,0,0]=4 35 B13R2.4818 ClC1=C2C(=CC=CC2=NC=N1)Br CDS021052 [0,1,0,0,0,1|2,0,0]=4 36 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [0,0,1,0,1,0|2,0,0]=4 37 B11R1.182 O/N=C/C1=CC(=CC=C1O)Br PH002075 [0,0,1,0,0,1|2,0,0]=4 38 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [0,0,1,0,0,1|2,0,0]=4