0 B8R1.2 C#CC1=CC=CN=N1 37154 [0,1,0,0,0,0|3,0,0]=4 1 B8R1.2 NNC1=CN=CN=C1 P12524 [0,1,0,0,0,0|3,0,0]=4 2 B8R1.3 FC1=CN=C(Cl)C=N1 P20780 [0,1,0,0,0,0|3,0,0]=4 3 B8R1.3 FC1=NN=C(Cl)C=C1 O10986 [0,1,0,0,0,0|3,0,0]=4 4 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [0,1,0,0,0,0|1,0,1]=3 5 B8R1.4 FC1=NC=CC(Cl)=N1 P11997 [0,1,0,0,0,0|3,0,0]=4 6 B8R1.4 NC1=CC(=O)NN=C1 20219 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.4 NC1=CC(Br)=CN=N1 P21037 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.4 NC1=CC(Cl)=CN=N1 37766 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.4 NC1=CC(I)=NC=C1 D96556 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.4 NC1=NC=CC(F)=N1 P12222 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,1,0,0,0,0|1,0,2]=4 12 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.5 CC1=CN=NC=C1N P18597 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.5 NC1=C(Cl)C=CN=N1 D95227 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.5 NC1=CC=NNC1=O 36341 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.5 NC1=CC=NNC1=S P12544 [0,1,0,0,0,0|2,1,0]=4 17 B6R0.4 O=C(O)\C=C\CF AT12709 [0,0,1,0,0,0|2,0,1]=4 18 B6R0.4 O=C(O)\C=C\CO AT11505 [0,0,1,0,0,0|2,0,1]=4 19 B6R1.2 BrC1=CC=NO1 A51037 [0,0,0,0,1,0|3,0,0]=4 20 B6R1.2 BrC1=COC=N1 AT22646 [0,0,0,0,1,0|3,0,0]=4 21 B6R1.2 FC1=CSC=C1 T72274 [0,0,0,0,1,0|2,0,0]=3 22 B6R1.2 FC1=NC=CN1 F31129 [0,0,0,0,1,0|3,0,0]=4 23 B7R1.1 OCC1=NSC=C1 AT21123 [0,1,0,0,1,0|2,0,0]=4 24 B7R1.2 ClC1=CC(Br)=CS1 AT16572 [0,1,0,0,1,0|2,0,0]=4 25 B7R1.2 FC1=CSC(Br)=C1 T70774 [0,1,0,0,1,0|2,0,0]=4 26 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,1,0,0,1,0|0,0,2]=4 27 B7R1.4 ClC1=C(I)SC=C1 P18106 [0,1,0,0,1,0|2,0,0]=4 28 B7R1.4 FC1=CNC=C1F P18993 [0,1,0,0,1,0|2,0,0]=4 29 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [0,2,0,0,0,0|2,0,0]=4 30 B9R1.1 C=CC1=CNC(=O)C=C1 W19299 [0,2,0,0,0,0|1,0,1]=4 31 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,2,0,0,0,0|2,0,0]=4 32 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,2,0,0,0,0|2,0,0]=4 33 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,2,0,0,0,0|2,0,0]=4 34 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,2,0,0,0,0|2,0,0]=4 35 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,2,0,0,0,0|1,0,0]=3 36 B9R1.2 NC1=CC(CO)=NC=N1 CS2745 [0,2,0,0,0,0|2,0,0]=4 37 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [0,2,0,0,0,0|1,0,1]=4 38 B9R1.2 OC1=CC=NC(CCl)=N1 F19650 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,2,0,0,0,0|1,0,0]=3 40 B9R1.6 OB(O)C1=NC=CN=C1 A51297 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.8 CSCC1=NC=CC=C1 W19655 [0,2,0,0,0,0|1,1,0]=4 42 B9R1.8 NNCC1=CC=NC=C1 78931 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [0,2,0,0,0,0|2,0,0]=4 44 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [0,2,0,0,0,0|2,0,0]=4 45 B9R1.15 CC1=C(CO)C=CN=N1 F30531 [0,2,0,0,0,0|2,0,0]=4 46 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,2,0,0,0,0|1,1,0]=4 47 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [0,2,0,0,0,0|1,0,0]=3 48 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [0,2,0,0,0,0|1,0,1]=4 49 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [0,2,0,0,0,0|1,0,0]=3 51 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.15 OCC1=C(Br)C=NC=N1 AC8251 [0,2,0,0,0,0|2,0,0]=4 53 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [0,2,0,0,0,0|1,0,0]=3 54 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [0,2,0,0,0,0|1,0,0]=3 55 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [0,2,0,0,0,0|1,0,0]=3 56 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [0,2,0,0,0,0|1,0,0]=3 57 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,2,0,0,0,0|1,0,0]=3 59 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [0,2,0,0,0,0|2,0,0]=4 60 B9R1.69 CN1C=C(O)C=CC1=O P17267 [0,2,0,0,0,0|1,0,0]=3 61 B9R1.69 FC1=C(F)N=C(Br)C=C1 P12799 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.69 FC1=CC(Br)=C(Cl)C=N1 C71766 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.69 FC1=CC(I)=NC=C1Br P20686 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.69 FC1=CC=C(Br)C(I)=N1 D96928 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.69 NC1=C(F)C=CC(Cl)=N1 C90958 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.69 NC1=C(N)N=C(O)C=C1 79599 [0,2,0,0,0,0|1,0,0]=3 67 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [0,2,0,0,0,0|0,1,0]=3 68 B9R1.69 NC1=CC=C(F)N=C1I D96603 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.69 NC1=NN=C(Cl)C=C1O D76057 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.69 OC1=C(F)C=CC(Cl)=N1 CS2298 [0,2,0,0,0,0|1,0,0]=3 71 B9R1.69 OC1=C(I)C=CC(Br)=N1 AC4863 [0,2,0,0,0,0|1,0,0]=3 72 B9R1.69 OC1=C(I)C=NC(Cl)=C1 37869 [0,2,0,0,0,0|1,0,0]=3 73 B9R1.3 CC1=C(Br)C=CN=C1Br 78889 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.3 CC1=C(Br)C=CNC1=O P17354 [0,2,0,0,0,0|1,0,1]=4 75 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.3 CC1=NC=CC(N)=C1F C73011 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.3 ClC1=C(I)C=CC=C1Br D70758 [0,2,0,0,0,0|1,0,0]=3 78 B9R1.3 FC1=C(Cl)C=CN=C1Br Y10117 [0,2,0,0,0,0|2,0,0]=4 79 B9R1.3 NC1=C(Cl)C(O)=CC=N1 68930 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.3 NC1=C(F)C(F)=CC=N1 D70938 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.3 NC1=C(I)C(=O)NC=C1 91738 [0,2,0,0,0,0|1,0,1]=4 82 B9R1.3 NC1=CC=CC(Br)=C1S 91081 [0,2,0,0,0,0|0,1,0]=3 83 B9R1.3 NC1=CC=CC(O)=C1I 79304 [0,2,0,0,0,0|0,0,0]=2 84 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [0,2,0,0,0,0|0,1,0]=3 85 B9R1.3 NC1=CN=CC(Cl)=C1Br AT12831 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.3 NC1=NC=CC(Br)=C1Cl AT12829 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.3 NC1=NC=CC(Br)=C1O RB1100 [0,2,0,0,0,0|1,0,0]=3 88 B9R1.3 O=C1C(O)=CNC=C1F P16035 [0,2,0,0,0,0|1,0,0]=3 89 B9R1.3 O=C1NC=CC(I)=C1F AC9810 [0,2,0,0,0,0|1,0,1]=4 90 B9R1.34 CC1=CC(Br)=CC(F)=N1 91513 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.34 CC1=CC(F)=NC(N)=C1 W15274 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C71881 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.34 NC1=CC(Br)=CC(Br)=N1 N13242 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.34 NC1=CC(Cl)=CC(Br)=N1 C71706 [0,2,0,0,0,0|2,0,0]=4