0 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 B049974 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=C(O)N=CC(Br)=C1 B049976 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=NC(C)=C(N)C=C1 B049993 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 CC1=NC(N)=CC=C1I B049349 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 B048629 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 NC1=CC(Br)=C(F)C=C1 B049228 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 NC1=CC(N)=C(N)C=C1 B050159 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.3 BrC1=CC=C(I)C=N1 B050029 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.3 CC1=CN=C(O)N=C1 B038992 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.3 CC1=CN=C(S)N=C1 B016326 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.3 CC1=CN=C(S)N=C1 B029371 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.3 ClC1=CC=C(Br)C=N1 B050028 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.3 ClC1=CC=C(I)C=N1 B050030 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.4 BrC1=CC(I)=CC=N1 B050026 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.4 BrC1=CC=NC(Br)=C1 B050031 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.4 ClC1=CC=NC(Cl)=C1 B050033 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.4 FC1=CC=NC(Cl)=C1 B050032 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.5 ClC1=C(I)C=CC=N1 B050034 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.22 CC1=C(O)C=C(O)C=C1O B049970 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.22 CC1=CC(=O)N(N)C(C)=C1 B016034 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.22 CC1=CC(Br)=CC(C)=C1N B048771 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.22 CC1=CC(C)=C(N)C(=O)N1 B048546 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.22 CC1=CC(C)=NC(Cl)=C1N B050629 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.18 CC1=CN(C)N=C1N B039135 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.18 CC1=CN(C)N=C1N B051832 [0,0,0,0,1,0|3,0,0]=4 28 B8R1.18 CC1=NN(C)C(F)=C1 B051212 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.18 CC1=NN(C)C(N)=C1 B024294 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.18 CC1=NN(C)C(N)=C1 B051584 [0,0,0,0,1,0|3,0,0]=4 31 B8R1.18 CC1=NN(C)C=C1Br B019512 [0,0,0,0,1,0|3,0,0]=4 32 B8R1.18 CC1=NN(C)C=C1Cl B039711 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.18 CC1=NN(C)C=C1I B047730 [0,0,0,0,1,0|3,0,0]=4 34 B8R1.18 CC1=NN(C)C=C1N B006417 [0,0,0,0,1,0|3,0,0]=4 35 B8R1.18 CC1=NN(C)C=C1N B029435 [0,0,0,0,1,0|3,0,0]=4 36 B8R1.50 CC1=C(Br)N(C)C=N1 B058547 [0,0,0,0,1,0|3,0,0]=4 37 B8R1.50 CC1=C(Cl)N(C)C=N1 B058540 [0,0,0,0,1,0|3,0,0]=4 38 B8R1.50 CC1=C(I)N(C)C=N1 B051982 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.50 CC1=C(N)N(C)N=C1 B051840 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.50 CC1=C(N)N(C)N=C1 B051841 [0,0,0,0,1,0|3,0,0]=4 41 B8R1.50 CC1=NNC(C)=C1Br B001459 [0,0,0,0,1,0|3,0,0]=4 42 B8R1.50 CC1=NNC(C)=C1Cl B001465 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.50 CC1=NNC(C)=C1I B037460 [0,0,0,0,1,0|3,0,0]=4 44 B8R1.50 CC1=NNC(C)=C1N B018722 [0,0,0,0,1,0|3,0,0]=4 45 B8R1.50 CC1=NOC(C)=C1N B029429 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.3 NC1=CC=CC(N)=C1N B050139 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.34 CC1=CC(O)=CC(=O)O1 B048736 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.15 COC1=CC=CN=C1O B039509 [1,1,0,0,0,0|1,0,0]=3 54 B9R1.22 CC1=CC(C)=NN1CO B015967 [0,1,0,0,1,0|2,0,0]=4 55 B9R1.22 CC1=CC(C=O)=C(C)S1 B018517 [0,1,0,0,1,0|1,0,1]=4 56 B9R1.22 CC1=CN(C)C(CO)=N1 B052647 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.22 CC1=NN(C)C(CO)=C1 B036104 [0,1,0,0,1,0|2,0,0]=4 58 B9R1.22 CC1=NN(C)C=C1CO B000988 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.27 CC1=C(CO)N(C)N=C1 B052576 [0,1,0,0,1,0|2,0,0]=4 60 B9R1.132 CC1=CC=C(CN)N1C B049048 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.37 COC1=C(CCl)C=C(Cl)C=C1 B050863 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.37 COC1=CC=C(Br)C=C1C#N B005860 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.37 COC1=CC=C(Br)C=C1C=O B005855 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.81 CCOC1=CC=C(F)C=C1N B047094 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.81 CCSC1=C(N)C=C(Cl)C=C1 B049688 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.166 CN(C)C1=CC=C(Br)C=C1N B039646 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B004285 [0,2,0,0,0,0|1,0,1]=4 69 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [0,2,0,0,0,0|0,0,0]=2 70 B11R1.279 COC1=CC=C(C#N)C=C1O B049493 [0,2,0,0,0,0|0,0,1]=3 71 B11R1.280 COC1=C(O)C=CC(C#N)=C1 B004154 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [0,2,0,0,0,0|1,0,0]=3 73 B7R1.2 CC1=CN(C)C=N1 B046338 [1,0,0,0,1,0|2,0,0]=4 74 B7R1.2 CC1=CN(C)N=C1 B046181 [1,0,0,0,1,0|2,0,0]=4 75 B7R1.2 CC1=NN(C)C=C1 B006757 [1,0,0,0,1,0|2,0,0]=4