0 B9R1.8 CNCC1=CC=CN=C1 TL00368 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 CNCC1=CC=NC=C1 MO00914 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 OCCC1=CC=CN=C1 KM09875 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 S=C=NC1=CC=CN=C1 CC04107 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 ClCC1=NC=CC=N1 MAY00188 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.2 OCC1=NC=CN=C1 CC03409 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.1 CCCC1=CN=C(Cl)N=C1 RJC02409 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.1 CNCC1=NC=C(Br)C=C1 MO07896 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [0,1,0,0,0,0|0,0,2]=3 10 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.1 S=C=NC1=CC=C(I)C=C1 S00350 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.4 CNCC1=NC=CC=C1F CC30946 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.10 CNCC1=CC(Br)=CN=C1 CC67146 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.10 CNCC1=CC(Cl)=NC=C1 CC53646 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.10 S=C=NC1=CC(Cl)=CC=C1 TL00490 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.17 NCCOC1=CC=CC=C1 RF03254 [0,1,0,0,0,0|0,0,0]=1 19 B10R1.18 NC(=S)NC1=CC=NC=C1 SEW02754 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [0,1,0,0,0,0|1,0,1]=3 21 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [0,0,0,1,0,0|2,0,0]=3 22 B10R2.7 C1=CC2=NON=C2C=C1 KM06477 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.3 IC1=CC=NC=C1 MO00014 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,1,0,0,0,0|1,0,0]=3 25 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,1,0,0,0,0|1,0,1]=4 29 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.1 OCC1=NC=C(Br)C=C1 MO07897 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,1,0,0,0,0|0,0,0]=2 34 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.2 ClCC1=CC(Br)=CN=C1 CC67174 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,1,0,0,0,0|1,0,0]=3 38 B9R1.2 OCC1=CC(Cl)=NC=C1 CC53609 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.2 OCC1=CC=NC(F)=C1 NP45237 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.15 COC1=CC=CN=C1Br NP43815 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.15 COC1=CC=CN=C1N NP45374 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.15 COC1=NC=CC=C1N SPB07839 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.7 CC1=NC(CCN)=CS1 CC54613 [0,1,0,0,1,0|2,0,0]=4 47 B9R1.12 N#CCCN1C=CC=C1 CD01949 [0,1,0,0,1,0|1,0,1]=4 48 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 SPB03349 [0,2,0,0,0,0|1,0,1]=4 49 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 TL00596 [0,2,0,0,0,0|1,0,1]=4 50 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 KM10105 [0,2,0,0,0,0|0,0,2]=4 51 B11R1.83 C#CC1=CC=C(CCC)C=C1 BTB09905 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.83 CCC1=CC=C(CNC)C=C1 MO00891 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.83 CNCC1=CC=C(OC)C=C1 MO00889 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.83 N#CC1=CC=C(CCO)C=C1 TL00139 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.17 NCCOC1=CC=CC=C1Cl RF03300 [0,2,0,0,0,0|0,0,0]=2 56 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl SPB06335 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 SPB06322 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 SB01685 [0,2,0,0,0,0|0,0,2]=4 59 B11R1.16 CC(N=C=S)C1=CC=CC=C1 SB01624 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.28 NCCOCC1=CC=CC=C1 MO07103 [0,2,0,0,0,0|0,0,0]=2 61 B11R1.28 S=C=NCCC1=CC=CC=C1 TL00242 [0,2,0,0,0,0|0,0,1]=3 62 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,2,0,0,0,0|0,0,1]=3 63 B11R1.91 CN(C)CCC1=NC=CC=C1 SB01680 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,2,0,0,0,0|0,0,1]=3 65 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [0,2,0,0,0,0|0,0,1]=3 66 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [0,2,0,0,0,0|0,0,1]=3 67 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 CC45910 [0,1,0,1,0,0|1,0,1]=4 68 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [0,1,0,1,0,0|1,0,0]=3 69 B11R2.36 IC1=CC2=C(C=C1)C=NN2 NP43242 [0,1,0,1,0,0|1,0,1]=4 70 B11R2.36 IC1=CC2=C(C=C1)NN=C2 NP43571 [0,1,0,1,0,0|1,0,1]=4 71 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [0,1,0,1,0,0|1,0,0]=3 72 B11R2.20 C1=CC2=C(N=C1)NCCO2 CC60830 [0,1,0,1,0,0|1,0,0]=3 73 B11R2.20 C1=CC=C2OCCNC2=C1 MAY00300 [0,1,0,1,0,0|0,0,0]=2 74 B11R2.106 BrC1=CC=CC2=C1NC=C2 MO00800 [0,1,0,1,0,0|0,0,2]=4 75 B11R2.106 BrC1=CC=CC2=C1OCO2 CC01710 [0,1,0,1,0,0|2,0,0]=4 76 B11R2.106 IC1=CC=CC2=C1OCC2 CC00911 [0,1,0,1,0,0|1,0,0]=3 77 B11R2.106 NC1=CC=CC2=C1C=NN2 MAY00334 [0,1,0,1,0,0|1,0,1]=4 78 B11R2.106 NC1=CC=CC2=C1OCC2 CC00914 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.1 NCC1=CN=CS1 MO08602 [1,0,0,0,1,0|2,0,0]=4 80 B7R1.1 NCC1=CSC=C1 CC13113 [1,0,0,0,1,0|1,0,0]=3 81 B7R1.1 NCC1=NC=CS1 CC09513 [1,0,0,0,1,0|2,0,0]=4