0 B10R1.119 CC1=C(C)[N+]([O-])=CC=C1Cl 17155 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.119 CC1=C(O)C(Cl)=C(N)C=C1 17021 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.119 CC1=CC=C(C)C(O)=C1C 26807 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.119 CN1C=CC(=O)N(C)C1=O 25591 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.119 NC1=C(O)C(F)=C(F)C=C1 28686 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.3 CC1=C(Br)C(N)=CC=C1 28943 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.3 CC1=C(C)[N+]([O-])=CC=C1 28332 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.3 CC1=C(Cl)C=CC=C1F 31164 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.3 CC1=C(N)C(O)=CC=C1 30843 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.3 CC1=C(O)C=CC=C1O 21880 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.3 CC1=CC=CC(N)=C1C 15001 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.3 CC1=CC=NC(C)=C1Br 29376 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.3 CC1=CN=CC(Br)=C1C 29340 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.3 CC1=NC=CC(Br)=C1N 29438 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.3 CC1=[N+]([O-])C=CC=C1Br 29395 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.3 OC1=CC=CC(O)=C1Br 29047 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.3 OC1=CC=CC(O)=C1Cl 31173 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.3 OC1=CC=CC(O)=C1O 22779 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.69 CC1=C(C)N=C(N)C=C1 28911 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.69 CC1=C(C)N=CC(Br)=C1 29341 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.69 CC1=C(I)C=C(N)C=C1 27676 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.69 CC1=C(N)C=CC(I)=C1 30827 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 CC1=C(N)C=CC(N)=C1 17451 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.69 CC1=C(O)C=C(Cl)C=C1 27750 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.69 CC1=C(O)C=CC(Cl)=C1 26818 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.69 CC1=C(O)C=CC(O)=C1 30342 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.69 CC1=CC(Br)=C(O)C=C1 26805 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.69 CC1=CC(O)=CC=C1Br 27863 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.69 CC1=CC=C(Br)C(I)=C1 29060 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.69 CC1=CC=C(Br)C(N)=C1 17974 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.69 CC1=CC=C(Br)C(O)=N1 28708 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.69 CC1=CC=C(Br)C=C1C 12975 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 27858 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 CC1=CC=C(F)C=C1Cl 31163 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.69 CC1=CC=C(F)C=C1N 21901 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.69 CC1=CC=C(I)C(Br)=C1 27860 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 CC1=CC=C(N)C(I)=C1 28728 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 CC1=CC=C(O)C=C1Br 29091 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.69 CC1=CN=C(C)C(C)=C1 31937 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.32 CC1=C(Br)C=C(N)C(N)=C1C 27713 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.32 CC1=CC(O)=C(C)C(C)=C1O 30337 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.278 O=CC1=C(O)C(O)=C(O)C=C1 26870 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.278 O=CC1=C(O)C(O)=C(O)C=C1 29554 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.4 CC1=CC(Br)=CC=N1 17038 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.4 CC1=CC(N)=CC=N1 28156 [2,0,0,0,0,0|1,0,1]=4 45 B8R1.4 CC1=CC(O)=CC=C1 03571 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.4 CC1=CC(O)=CN=C1 28367 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.4 CC1=CC=CC(=O)N1 28328 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.4 CC1=CC=CC(F)=C1 30020 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.4 CC1=CC=CC(I)=C1 26769 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.4 CC1=CC=NC(O)=C1 27954 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.4 CC1=NC=CC(Cl)=C1 27551 [2,0,0,0,0,0|1,0,1]=4 52 B8R1.4 O=C1C=C(Br)C=CN1 29326 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.4 O=C1C=CNC(=O)N1 31792 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.4 O=C1C=CNC(=O)N1 33050 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.4 O=C1C=CNC(=S)N1 21934 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.4 OC1=CC=CC(O)=C1 30180 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.5 CC1=C(Br)C=CC=N1 17037 [2,0,0,0,0,0|1,0,1]=4 58 B8R1.5 CC1=C(Cl)C=CC=N1 28853 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.5 CC1=C(F)C=CC=C1 30019 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.5 CC1=C(N)C=CC=N1 17034 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.5 CC1=CC=CN=C1O 27920 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.5 CC1=NC=CC=C1F 29136 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.5 CC1=NC=CC=C1I 29187 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.5 CC1=[N+]([O-])C=CC=C1 26990 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.5 C[N+]1=C(Cl)C=CC=C1 04881 [2,0,0,0,0,0|1,0,1]=4 66 B8R1.5 NC1=C(O)C=NC=C1 26270 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.5 NC1=NC=CC=C1O 16974 [2,0,0,0,0,0|1,0,1]=4 68 B8R1.5 O=C1NC=CC=C1Cl 29245 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.5 OC1=C(I)N=CC=C1 27478 [2,0,0,0,0,0|1,0,1]=4 70 B8R1.5 OC1=C(O)C=CC=C1 00500 [2,0,0,0,0,0|1,0,1]=4 71 B8R1.5 OC1=CC=CN=C1Br 26999 [2,0,0,0,0,0|1,0,1]=4 72 B8R1.5 OC1=CC=CN=C1Cl 27006 [2,0,0,0,0,0|1,0,1]=4 73 B8R1.3 CC1=CC=C(F)C=C1 30018 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.3 CC1=CC=C(O)C=C1 02046 [2,0,0,0,0,0|1,0,1]=4 75 B10R1.2 CCC1=CC=CC(C)=C1O 28454 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.2 COC1=CC=CC(C)=C1N 30844 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.22 CC1=CC(O)=C(C)C(C)=C1 02001 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.22 CN1C=C(Br)C=C(Br)C1=O 28339 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.245 CC1=CC=CC(C)=C1CO 17396 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.25 CC1=CC(Br)=CC=C1CO 29345 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.25 CC1=CC(Cl)=CC=C1CO 28919 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.25 COC1=CC=C(C)C=C1O 27589 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.25 O=CC1=CC=C(Br)C=C1O 31936 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.30 CC1=CC=C(N)C(CO)=C1 27828 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.30 COC1=C(C)C=CC(I)=C1 28997 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.30 COC1=C(O)C=CC(C)=C1 29782 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.30 COC1=C(O)C=CC(C)=C1 29784 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.176 CC1=C(C)C=C(CN)C=C1 29260 [1,1,0,0,0,0|2,0,0]=4