0 B8R1.4 BrC1=CC(I)=CC=N1 B050026 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.4 BrC1=CC=NC(Br)=C1 B050031 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 ClC1=CC=NC(Cl)=C1 B050033 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 FC1=CC=NC(Cl)=C1 B050032 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.2 CC1=NC=CC(CN)=N1 B059729 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.3 NC1=CC=CC(N)=C1N B050139 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.3 [O-][N+]1=CC=CC(F)=C1Cl B049975 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.34 CC1=CC(O)=CC(=O)O1 B048736 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 B049974 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.69 CC1=C(O)N=CC(Br)=C1 B049976 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.69 CC1=NC(C)=C(N)C=C1 B049993 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.69 CC1=NC(N)=CC=C1I B049349 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 B048629 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.69 NC1=CC(Br)=C(F)C=C1 B049228 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.69 NC1=CC(N)=C(N)C=C1 B050159 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.2 CC1=CC(I)=NN1 B051816 [0,0,0,0,1,0|3,0,0]=4 18 B7R1.2 CC1=CN(C)C=N1 B046338 [0,0,0,0,1,0|3,0,0]=4 19 B7R1.2 CC1=CN(C)N=C1 B046181 [0,0,0,0,1,0|3,0,0]=4 20 B7R1.2 CC1=NN(C)C=C1 B006757 [0,0,0,0,1,0|3,0,0]=4 21 B7R1.2 CC1=NOC(N)=C1 B030049 [0,0,0,0,1,0|3,0,0]=4 22 B7R1.2 CN1C=C(Br)C=N1 B040735 [0,0,0,0,1,0|3,0,0]=4 23 B7R1.2 CN1C=C(Cl)C=N1 B040734 [0,0,0,0,1,0|3,0,0]=4 24 B7R1.2 CN1C=C(I)C=N1 B047728 [0,0,0,0,1,0|3,0,0]=4 25 B7R1.2 CN1C=C(N)C=N1 B022860 [0,0,0,0,1,0|3,0,0]=4 26 B7R1.2 CN1C=C(N)C=N1 B037105 [0,0,0,0,1,0|3,0,0]=4 27 B7R1.2 CN1C=CC(Br)=N1 B047103 [0,0,0,0,1,0|3,0,0]=4 28 B7R1.2 CN1C=CC(I)=N1 B050971 [0,0,0,0,1,0|3,0,0]=4 29 B7R1.2 CN1C=CC(N)=N1 B014443 [0,0,0,0,1,0|3,0,0]=4 30 B7R1.2 FC1=CC=C(Br)S1 B052433 [0,0,0,0,1,0|3,0,0]=4 31 B7R1.2 FC1=CC=C(I)S1 B052477 [0,0,0,0,1,0|3,0,0]=4 32 B7R1.2 NC1=CC(O)=NN1 B038492 [0,0,0,0,1,0|3,0,0]=4 33 B7R1.4 CC1=CC=NN1C B006758 [0,0,0,0,1,0|3,0,0]=4 34 B7R1.4 CC1=CN=CN1C B051897 [0,0,0,0,1,0|3,0,0]=4 35 B7R1.4 CC1=CNN=C1N B007334 [0,0,0,0,1,0|3,0,0]=4 36 B7R1.4 CC1=CNN=C1N B039349 [0,0,0,0,1,0|3,0,0]=4 37 B7R1.4 CC1=NC=CN1C B046339 [0,0,0,0,1,0|3,0,0]=4 38 B7R1.4 CC1=NNC=C1Br B030262 [0,0,0,0,1,0|3,0,0]=4 39 B7R1.4 CC1=NNC=C1Cl B020772 [0,0,0,0,1,0|3,0,0]=4 40 B7R1.4 CC1=NNC=C1I B047689 [0,0,0,0,1,0|3,0,0]=4 41 B7R1.4 CC1=NNC=C1N B020740 [0,0,0,0,1,0|3,0,0]=4 42 B7R1.4 CC1=NNC=C1N B047500 [0,0,0,0,1,0|3,0,0]=4 43 B7R1.4 CN1N=CC=C1Br B051184 [0,0,0,0,1,0|3,0,0]=4 44 B7R1.4 CN1N=CC=C1F B052471 [0,0,0,0,1,0|3,0,0]=4 45 B7R1.4 CN1N=CC=C1I B051213 [0,0,0,0,1,0|3,0,0]=4 46 B7R1.4 CN1N=CC=C1N B024266 [0,0,0,0,1,0|3,0,0]=4 47 B7R1.4 CN1N=CC=C1N B029997 [0,0,0,0,1,0|3,0,0]=4 48 B8R1.2 NCC1=NC=CN=C1 B050555 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.3 BrC1=CC=C(I)C=N1 B050029 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.3 CC1=CN=C(O)N=C1 B038992 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.3 CC1=CN=C(S)N=C1 B016326 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.3 CC1=CN=C(S)N=C1 B029371 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.3 ClC1=CC=C(Br)C=N1 B050028 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.3 ClC1=CC=C(I)C=N1 B050030 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.5 ClC1=C(I)C=CC=N1 B050034 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.1 CC1=CC(CO)=NO1 B037451 [0,1,0,0,1,0|2,0,0]=4 58 B8R1.1 CC1=CC=C(C=O)S1 B015983 [0,1,0,0,1,0|1,0,1]=4 59 B8R1.1 CC1=CC=C(CN)S1 B030516 [0,1,0,0,1,0|2,0,0]=4 60 B8R1.1 CC1=CN(CO)N=C1 B028555 [0,1,0,0,1,0|2,0,0]=4 61 B8R1.1 CC1=NOC(CO)=C1 B037452 [0,1,0,0,1,0|2,0,0]=4 62 B8R1.1 CCC1=CC(Br)=CS1 B046186 [0,1,0,0,1,0|2,0,0]=4 63 B8R1.1 CN1C=C(CO)C=N1 B020730 [0,1,0,0,1,0|2,0,0]=4 64 B8R1.1 CN1C=CC(CO)=N1 B047329 [0,1,0,0,1,0|2,0,0]=4 65 B8R1.1 FC1=CC=C(CBr)S1 B058943 [0,1,0,0,1,0|2,0,0]=4 66 B8R1.1 FC1=CC=C(CCl)S1 B052448 [0,1,0,0,1,0|2,0,0]=4 67 B8R1.1 NCC1=CC=C(F)S1 B052432 [0,1,0,0,1,0|2,0,0]=4 68 B8R1.1 OCC1=CC=C(F)S1 B046290 [0,1,0,0,1,0|2,0,0]=4 69 B8R1.11 CC1=C(CO)N=CN1 B037486 [0,1,0,0,1,0|2,0,0]=4 70 B8R1.11 CC1=C(CO)SC=N1 B059809 [0,1,0,0,1,0|2,0,0]=4 71 B8R1.11 CC1=CNN=C1CO B058953 [0,1,0,0,1,0|2,0,0]=4 72 B8R1.11 CN1N=CC=C1CO B030040 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [0,2,0,0,0,0|0,0,0]=2 74 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.22 CC1=C(O)C=C(O)C=C1O B049970 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.22 CC1=CC(=O)N(N)C(C)=C1 B016034 [0,2,0,0,0,0|1,0,1]=4 77 B10R1.22 CC1=CC(Br)=CC(C)=C1N B048771 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.22 CC1=CC(C)=C(N)C(=O)N1 B048546 [0,2,0,0,0,0|1,0,1]=4 79 B10R1.22 CC1=CC(C)=NC(Cl)=C1N B050629 [0,2,0,0,0,0|2,0,0]=4 80 B6R1.2 CC1=CNN=C1 B014452 [1,0,0,0,1,0|2,0,0]=4 81 B6R1.2 CC1=NNC=C1 B022230 [1,0,0,0,1,0|2,0,0]=4 82 B6R1.2 CN1C=CC=N1 B006761 [1,0,0,0,1,0|2,0,0]=4 83 B6R1.2 CN1C=CN=C1 B039756 [1,0,0,0,1,0|2,0,0]=4 84 B6R1.2 FC1=CC=CS1 B039753 [1,0,0,0,1,0|2,0,0]=4