0 B11R2.36 CC1=CC2=NSN=C2C=C1 SBB059016 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.36 NC1=CC2=C(C=C1)CCC2 SBB028245 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.36 NC1=NC2=C(C=N1)CCO2 SBB050561 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.36 NC1=NC2=C(C=N1)NC=N2 SBB052105 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.36 NC1=NC=C2CCCC2=N1 SBB027145 [0,0,0,0,0,0|2,0,0]=2 5 B10R2.7 C1=CC2=C(C=C1)CCC2 SBB060083 [1,0,0,0,0,0|3,0,0]=4 6 B10R2.7 C1=CC=C2COCC2=C1 SBB068697 [1,0,0,0,0,0|2,1,0]=4 7 B10R2.7 C1=NC=NC2=C1N=CN2 SBB004288 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.246 CC1=NC(N)=NC2=C1CCO2 SBB050553 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.246 CC1=NC2=C(C=CS2)C(Cl)=N1 SBB054647 [0,1,0,0,0,0|2,0,1]=4 10 B12R2.246 NC1=NC2=C(CCC2)C(=O)N1 SBB074389 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.246 O=C1NC(S)=NC2=C1CCC2 SBB015296 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.1 CCCC1=CN=C(Cl)N=C1 SBB054517 [0,0,1,0,0,0|2,0,0]=3 13 B10R1.1 CCCC1=CN=C(S)N=C1 SBB066482 [0,0,1,0,0,0|2,0,0]=3 14 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.10 CNCC1=NC(C)=CC=C1 SBB110044 [0,0,1,0,0,0|2,0,0]=3 16 B10R1.25 CC1=CC(C)=C(CCl)C=C1 SBB005790 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.25 CC1=NC=C(C#N)C(N)=N1 SBB055897 [0,0,1,0,0,0|2,0,1]=4 18 B10R1.25 CC1=NC=C(CN)C(N)=N1 SBB086023 [0,0,1,0,0,0|2,0,0]=3 19 B10R1.25 CCC1=C(C)C=C(C)C=C1 SBB061315 [0,0,1,0,0,0|3,0,0]=4 20 B10R1.25 CCC1=C(N)N=C(C)C=C1 SBB028253 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.25 NC1=C(CO)C=NC(O)=N1 SBB071695 [0,0,1,0,0,0|2,1,0]=4 22 B10R1.30 CC1=CC(CCl)=C(C)C=C1 SBB040679 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.30 CCC1=C(O)C=CC(C)=N1 SBB080737 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.30 CCC1=NC(C)=CC=C1O SBB080762 [0,0,1,0,0,0|3,0,0]=4 25 B10R1.30 OCC1=C(O)C=CC(C)=N1 SBB004177 [0,0,1,0,0,0|2,1,0]=4 26 B10R2.2 NC1=NC2=C(CCC2)S1 SBB005653 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.24 CC1=CC2=C(C=C1)NCCC2 SBB027083 [0,0,0,0,0,1|3,0,0]=4 28 B12R2.24 NC1=NC2=C(C=N1)COCC2 SBB074323 [0,0,0,0,0,1|1,1,0]=3 29 B12R2.24 NC1=NC=C2CCCCC2=N1 SBB027185 [0,0,0,0,0,1|2,0,0]=3 30 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [1,0,1,0,0,0|2,0,0]=4 31 B9R1.1 CC1=NC=C(C=O)C=N1 SBB010235 [1,0,1,0,0,0|0,1,1]=4 32 B9R1.1 CC1=NC=C(CO)C=N1 SBB054825 [1,0,1,0,0,0|0,1,0]=3 33 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [1,0,1,0,0,0|1,0,0]=3 34 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [1,0,1,0,0,0|2,0,0]=4 35 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [1,0,1,0,0,0|2,0,0]=4 36 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [1,0,1,0,0,0|2,0,0]=4 37 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [1,0,1,0,0,0|2,0,0]=4 38 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [1,0,1,0,0,0|1,1,0]=4 40 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [1,0,1,0,0,0|2,0,0]=4 41 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [1,0,1,0,0,0|2,0,0]=4 42 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [1,0,1,0,0,0|2,0,0]=4 43 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [1,0,1,0,0,0|2,0,0]=4 44 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [1,0,1,0,0,0|2,0,0]=4 45 B9R1.2 CNC1=CC=NC(Cl)=N1 SBB051952 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.2 COC1=CC=NC(Cl)=N1 SBB054496 [1,0,1,0,0,0|1,1,0]=4 47 B9R1.2 COC1=NC(N)=NC=C1 SBB051950 [1,0,1,0,0,0|1,1,0]=4 48 B9R1.2 CSC1=NC(C)=CC=N1 SBB086177 [1,0,1,0,0,0|2,0,0]=4 49 B9R1.15 CC1=C(CBr)N=CC=C1 SBB021212 [1,0,1,0,0,0|2,0,0]=4 50 B9R1.15 CC1=CC=CC=C1CS SBB086035 [1,0,1,0,0,0|2,0,0]=4 51 B9R1.15 CC1=CC=CN=C1CN SBB052454 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.69 CC1=C(O)N=C(S)N=C1 SBB086243 [1,0,1,0,0,0|1,1,0]=4 53 B9R1.69 CC1=CC(C)=C(C)C=C1 SBB060396 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.69 CC1=CC(C)=C(N)C=N1 SBB051865 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.69 CC1=CN=C(Cl)N=C1Cl SBB087662 [1,0,1,0,0,0|2,0,0]=4 56 B9R1.69 CC1=CN=C(Cl)N=C1N SBB069962 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.69 CC1=NC(C)=C(C)C=C1 SBB061698 [1,0,1,0,0,0|1,0,0]=3 58 B9R1.69 CC1=NC(C)=C(N)C=C1 SBB013931 [1,0,1,0,0,0|2,0,0]=4 59 B9R1.69 CC1=NC(C)=C(O)C=C1 SBB013900 [1,0,1,0,0,0|1,1,0]=4 60 B9R1.69 CC1=NC(N)=NC=C1Br SBB090682 [1,0,1,0,0,0|2,0,0]=4 61 B9R1.69 CC1=NN=C(N)N=C1C SBB028209 [1,0,1,0,0,0|2,0,0]=4 62 B9R1.69 CC1=NN=C(S)N=C1S SBB079027 [1,0,1,0,0,0|2,0,0]=4 63 B9R1.69 [NH3+]C1=C(C)C=C(C)N=C1 SBB055666 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.1 CCCCC1=CN=C(Cl)N=C1 SBB059368 [0,1,1,0,0,0|2,0,0]=4 65 B11R1.24 CC1=CC=CC(CCCO)=N1 SBB047991 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.24 CCCOC1=CC=NC(S)=N1 SBB021983 [0,1,1,0,0,0|2,0,0]=4 67 B11R1.34 COCC1=NC(S)=NC(O)=C1 SBB047653 [0,1,1,0,0,0|1,1,0]=4 68 B11R1.34 OC1=CC(CCC)=NC(S)=N1 SBB003855 [0,1,1,0,0,0|2,0,0]=4 69 B11R1.157 CC1=NC(CC(C)O)=CC=C1 SBB025634 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 SBB010333 [0,1,1,0,0,0|0,1,1]=4 71 B11R1.464 CCC1=C(Cl)N=C(N)N=C1C SBB010533 [0,1,1,0,0,0|2,0,0]=4 72 B11R2.1 OC1CCC2=C1C=CC=N2 SBB056373 [1,1,0,0,0,0|2,0,0]=4 73 B11R2.106 O=C1N=CNC2=C1CCC2 SBB056329 [1,1,0,0,0,0|1,0,1]=4 74 B13R2.328 NC1=NC2=C(CCCC2)C(N)=N1 SBB041132 [0,1,0,0,0,1|2,0,0]=4 75 B13R2.328 OC1=C2CCCCC2=NC(S)=N1 SBB089937 [0,1,0,0,0,1|2,0,0]=4 76 B13R2.5179 NC1=NC=C2C(=O)CCCC2=N1 SBB012732 [0,1,0,0,0,1|2,0,0]=4 77 B11R2.35 NC1=NC(C2CC2)=CC=N1 SBB085901 [0,0,1,1,0,0|2,0,0]=4 78 B9R1.7 CNCC1=CC(C)=NO1 SBB026735 [0,0,1,0,1,0|2,0,0]=4 79 B9R1.7 CNCC1=CN(C)N=C1 SBB019590 [0,0,1,0,1,0|2,0,0]=4 80 B9R1.7 CNCC1=CSC(C)=N1 SBB086256 [0,0,1,0,1,0|2,0,0]=4 81 B9R1.22 CC1=NC(C)=C(CO)S1 SBB054806 [0,0,1,0,1,0|1,1,0]=4 82 B9R1.22 CC1=NC(CO)=C(C)O1 SBB085678 [0,0,1,0,1,0|1,1,0]=4 83 B9R1.22 CC1=NN(C)C(CCl)=C1 SBB025118 [0,0,1,0,1,0|2,0,0]=4 84 B9R1.22 CC1=NN(C)C(CN)=C1 SBB004264 [0,0,1,0,1,0|2,0,0]=4 85 B9R1.22 CC1=NN(C)C(CO)=C1 SBB024986 [0,0,1,0,1,0|1,1,0]=4 86 B9R1.22 CC1=NN(C)C=C1CN SBB004263 [0,0,1,0,1,0|2,0,0]=4 87 B9R1.22 CC1=NN(C)C=C1CO SBB019670 [0,0,1,0,1,0|1,1,0]=4 88 B9R1.132 CC1=C(C)C(CO)=CS1 SBB017430 [0,0,1,0,1,0|1,1,0]=4 89 B9R1.132 CC1=C(CN)C=NN1C SBB004262 [0,0,1,0,1,0|2,0,0]=4 90 B9R1.132 CC1=C(CO)C=NN1C SBB019663 [0,0,1,0,1,0|1,1,0]=4 91 B9R1.27 CC1=NNC(C)=C1CN SBB010243 [0,0,1,0,1,0|2,0,0]=4 92 B9R1.27 CC1=NOC(C)=C1CCl SBB004107 [0,0,1,0,1,0|2,0,0]=4 93 B9R1.27 CC1=NOC(C)=C1CN SBB046717 [0,0,1,0,1,0|2,0,0]=4 94 B9R1.27 N1C=C(C)C(CC)=C1C SBB004274 [0,0,1,0,1,0|1,0,1]=4 95 B9R2.3 C1=CN2CCCC2=N1 SBB056323 [1,0,0,0,1,0|2,0,0]=4 96 B9R2.3 C1=NNC2=C1CCC2 SBB027122 [1,0,0,0,1,0|1,0,1]=4