0 B8R1.4 FC1=NC=CC(Cl)=N1 P11997 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.4 NC1=CC(=O)NN=C1 20219 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.4 NC1=CC(Br)=CN=N1 P21037 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.4 NC1=CC(Cl)=CN=N1 37766 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.4 NC1=CC(I)=NC=C1 D96556 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 NC1=NC=CC(F)=N1 P12222 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,0,0,0,0,0|1,0,3]=4 7 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.2 NC1=CC(CO)=NC=N1 CS2745 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.2 OC1=CC=NC(CCl)=N1 F19650 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.3 CC1=C(Br)C=CN=C1Br 78889 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.3 CC1=C(Br)C=CNC1=O P17354 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.3 CC1=NC=CC(N)=C1F C73011 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.3 ClC1=C(I)C=CC=C1Br D70758 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.3 FC1=C(Cl)C=CN=C1Br Y10117 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.3 NC1=C(Cl)C(O)=CC=N1 68930 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.3 NC1=C(F)C(F)=CC=N1 D70938 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.3 NC1=C(I)C(=O)NC=C1 91738 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.3 NC1=CC=CC(Br)=C1S 91081 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.3 NC1=CC=CC(O)=C1I 79304 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [0,1,0,0,0,0|1,1,0]=3 28 B9R1.3 NC1=CN=CC(Cl)=C1Br AT12831 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.3 NC1=NC=CC(Br)=C1Cl AT12829 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.3 NC1=NC=CC(Br)=C1O RB1100 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.3 O=C1C(O)=CNC=C1F P16035 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.3 O=C1NC=CC(I)=C1F AC9810 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.34 CC1=CC(Br)=CC(F)=N1 91513 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.34 CC1=CC(F)=NC(N)=C1 W15274 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C71881 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.34 NC1=CC(Br)=CC(Br)=N1 N13242 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.34 NC1=CC(Cl)=CC(Br)=N1 C71706 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.69 CN1C=C(O)C=CC1=O P17267 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.69 FC1=C(F)N=C(Br)C=C1 P12799 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.69 FC1=CC(Br)=C(Cl)C=N1 C71766 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.69 FC1=CC(I)=NC=C1Br P20686 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.69 FC1=CC=C(Br)C(I)=N1 D96928 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.69 NC1=C(F)C=CC(Cl)=N1 C90958 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.69 NC1=C(N)N=C(O)C=C1 79599 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.69 NC1=CC=C(F)N=C1I D96603 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.69 NC1=NN=C(Cl)C=C1O D76057 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.69 OC1=C(F)C=CC(Cl)=N1 CS2298 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.69 OC1=C(I)C=CC(Br)=N1 AC4863 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.69 OC1=C(I)C=NC(Cl)=C1 37869 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.2 ClC1=CC(Br)=CS1 AT16572 [0,0,0,0,1,0|3,0,0]=4 59 B7R1.2 FC1=CSC(Br)=C1 T70774 [0,0,0,0,1,0|3,0,0]=4 60 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,0,0,0,1,0|0,0,3]=4 61 B7R1.4 ClC1=C(I)SC=C1 P18106 [0,0,0,0,1,0|3,0,0]=4 62 B7R1.4 FC1=CNC=C1F P18993 [0,0,0,0,1,0|3,0,0]=4 63 B6R0.4 O=C(O)\C=C\CO AT11505 [1,0,1,0,0,0|1,0,1]=4 64 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [1,1,0,0,0,0|1,0,1]=4 65 B8R1.1 OCC1=CC=C(F)S1 83085 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.2 COC1=C(F)C(F)=NC=C1 D79419 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.2 COC1=CN=CC(Br)=C1N D84818 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.8 COC1=CC(=O)NC(Cl)=C1 AC8282 [0,2,0,0,0,0|1,0,1]=4 76 B10R1.8 NCC1=CC(F)=CC(O)=C1 Y14108 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.8 OCC1=CC(Br)=CC(Br)=N1 D96598 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.30 CC1=CC=C(N)C(CO)=N1 P12542 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.30 COC1=CC(F)=CN=C1N D70750 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 D85248 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14013 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14014 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.176 C#CC1=CC(N)=C(F)C=C1 C71057 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.176 COC1=CC(Br)=C(N)N=C1 P19026 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.176 COC1=CC(F)=C(Br)C=N1 P17805 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.176 COC1=CC(N)=C(F)C=N1 C75734 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.176 OCC1=CC(Br)=C(F)N=C1 P17928 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.22 CC1=C(C)C(O)=CC(=O)N1 C76715 [0,2,0,0,0,0|1,0,1]=4 99 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 D82138 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.22 CC1=C(Cl)C=C(Cl)C=C1N AC8599 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.22 CC1=CC(Cl)=CC(O)=C1I 72277 [0,2,0,0,0,0|1,0,0]=3 102 B10R1.22 CC1=CC(N)=CC(Br)=C1C 55933 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.22 OC1=CC(F)=CC(Br)=C1F D96236 [0,2,0,0,0,0|1,0,0]=3 104 B10R1.119 BrC1=C(Br)C(Br)=C(I)C=C1 AT25272 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.119 CC1=C(Br)C=CC(N)=C1O P20177 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.119 CC1=C(F)C=CC(O)=C1N D75565 [0,2,0,0,0,0|1,0,0]=3 107 B10R1.119 CC1=CC=C(C)C(N)=C1C C13892 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.119 CC1=CC=C(F)C(C)=C1Br D74747 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.119 CC1=CC=C(N)C(C)=C1I AC9073 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.119 NC1=C(F)C=CC(Br)=C1N AC4832 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.119 NC1=CC=C(Cl)C(Br)=C1Cl I11650 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.119 NC1=CC=C(Cl)C(Cl)=C1N W19346 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.119 NC1=CC=C(F)C(Cl)=C1N 79668 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.119 OC1=C(F)C=CC(Br)=C1O Y14674 [0,2,0,0,0,0|1,0,0]=3 115 B10R1.245 C=CC1=C(Cl)C=CN=C1O P18283 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.245 N#CC1=C(O)C=CC=C1N AT15778 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.245 N#CC1=C(O)C=CC=C1O Y14713 [0,2,0,0,0,0|0,0,0]=2 120 B10R1.245 N#CC1=C(O)C=CN=C1Br W13343 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.245 NCC1=C(Br)C=CC=C1Br Y14043 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.25 N#CC1=C(Br)C=C(O)C=N1 D83960 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.25 N#CC1=NC=C(Cl)C=C1O CS3060 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.118 CC1=C(Br)C=C(O)C(N)=C1 79590 [0,2,0,0,0,0|1,0,0]=3 126 B10R1.118 CC1=CC(I)=C(N)C=C1Br AT14614 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.118 CC1=CC(O)=C(Cl)C=C1O A11096 [0,2,0,0,0,0|1,0,0]=3 128 B10R1.118 NC1=C(Br)C=C(O)C(F)=C1 D80092 [0,2,0,0,0,0|1,0,0]=3 129 B6R0.3 C=CC(=O)C(=O)O AC9460 [0,0,1,0,1,0|1,0,1]=4 130 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,1,0|2,0,0]=4