0 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 CNCC1=NC=C(Br)C=C1 MO07896 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.1 S=C=NC1=CC=C(I)C=C1 S00350 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 OCC1=NC=C(Br)C=C1 MO07897 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 CNCC1=CC=CN=C1 TL00368 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 CNCC1=CC=NC=C1 MO00914 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 OCCC1=CC=CN=C1 KM09875 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 SPB03349 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 KM10105 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.83 C#CC1=CC=C(CCC)C=C1 BTB09905 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.83 CCC1=CC=C(CNC)C=C1 MO00891 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.83 CNCC1=CC=C(OC)C=C1 MO00889 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.83 COC1=CC=C(N=C=S)C=C1 TL00326 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.83 N#CC1=CC=C(CCO)C=C1 TL00139 [0,1,0,0,0,0|2,0,1]=4 21 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 CC05910 [0,0,0,1,0,0|3,0,0]=4 22 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 CC45910 [0,0,0,1,0,0|3,0,0]=4 23 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [0,0,0,1,0,0|2,0,0]=3 24 B11R2.36 IC1=CC2=C(C=C1)NN=C2 NP43571 [0,0,0,1,0,0|3,0,0]=4 25 B11R2.36 NC1=CC2=C(C=C1)N=CS2 CC05914 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.36 NC1=CC2=C(C=C1)OC=C2 CC07114 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.36 NC1=CC2=C(C=C1)SC=C2 CC24814 [0,0,0,1,0,0|2,0,0]=3 28 B11R2.36 NC1=CC2=C(C=C1)SC=N2 MO07036 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 KM10077 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.25 N#CC1=CC=C(O)C=C1F KM10855 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.17 NCCOC1=CC=CC=C1 RF03254 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.71 COC1=CC=C(OCCN)C=C1 BTB10107 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.12 N#CC(C=O)C1=CC=C(Cl)C=C1 SPB01054 [0,2,0,0,0,0|2,0,0]=4 43 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 NP42946 [0,1,0,1,0,0|1,0,1]=4 44 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 CC11710 [0,1,0,1,0,0|2,0,0]=4 45 B12R2.24 NC1=CC2=NC=CN=C2C=C1 CC11714 [0,1,0,1,0,0|2,0,0]=4 46 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [0,1,0,1,0,0|2,0,0]=4 47 B12R2.132 NC1=CC=C2COC(=O)C2=C1 KM08380 [0,1,0,1,0,0|2,0,0]=4 48 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=C2 MO07070 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 CC41410 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.612 CN1C=CC2=CC(N)=CC=C21 CC41414 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.246 CC1=CC2=C(OC=C2)C(Br)=C1 MAY00316 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.44 N#CC1=CC2=C(C=C1)OC=C2 CC07116 [0,1,0,1,0,0|2,0,0]=4 53 B12R2.44 N#CC1=CC2=C(C=C1)SC=C2 CC24816 [0,1,0,1,0,0|2,0,0]=4 54 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CC07104 [0,1,0,1,0,0|1,0,1]=4 55 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 CC24804 [0,1,0,1,0,0|1,0,1]=4 56 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 CC07109 [0,1,0,1,0,0|1,0,0]=3 57 B12R2.44 OCC1=CN2C=CN=C2C=C1 CC33109 [0,1,0,1,0,0|2,0,0]=4