0 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 COC1=CC=CN=C1O B039509 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.15 NC1=NC=CC=C1C=O B049085 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.5 ClC1=C(I)C=CC=N1 B050034 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.61 NC1=C(C(=O)O)C=NC=N1 B050277 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 B050310 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.61 O=C1NC=CC=C1[N+](=O)[O-] B048851 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=N1 B050415 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O B050312 [0,1,0,0,0,0|2,0,0]=3 13 B10R2.7 C1=CC2=C(N=C1)NN=C2 B039109 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.11 C(=O)C1=C(C)C=NN1 B039268 [0,0,0,0,1,0|3,0,0]=4 15 B8R1.11 CC1=C(C=O)C=NN1 B034879 [0,0,0,0,1,0|3,0,0]=4 16 B8R1.11 CC1=C(C=O)C=NN1 B047429 [0,0,0,0,1,0|3,0,0]=4 17 B8R1.11 CN1C=CN=C1C=O B038490 [0,0,0,0,1,0|3,0,0]=4 18 B8R1.11 CN1N=CC=C1C=O B007393 [0,0,0,0,1,0|3,0,0]=4 19 B8R1.11 O=CC1=C(Cl)C=NN1 B039275 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,1,0,0,0,0|1,0,1]=4 21 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,1,0,0,0,0|1,0,1]=4 22 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [1,1,0,0,0,0|1,1,0]=4 23 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,1,0,0,0,0|0,0,2]=4 24 B9R1.3 NC1=CC=CC(N)=C1N B050139 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.69 CC1=C(O)N=CC(Br)=C1 B049976 [1,1,0,0,0,0|1,0,1]=4 26 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [1,1,0,0,0,0|1,0,1]=4 27 B9R1.69 NC1=CC(Br)=C(F)C=C1 B049228 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.69 NC1=CC(N)=C(N)C=C1 B050159 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.22 CC1=CC(C=O)=C(C)S1 B018517 [0,1,0,0,1,0|2,0,0]=4 30 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [0,1,0,0,1,0|2,0,0]=4 31 B11R1.159 CC1=C(C(N)=O)C=CC=C1N B050747 [0,2,0,0,0,0|1,0,0]=3 32 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 B048728 [0,2,0,0,0,0|0,0,0]=2 33 B11R1.159 NC1=CC=CC(C(=O)O)=C1N B050432 [0,2,0,0,0,0|1,0,0]=3 34 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,2,0,0,0,0|1,0,0]=3 35 B11R1.222 COC(=O)C1=CC=CN=C1S B047304 [0,2,0,0,0,0|1,1,0]=4 36 B11R1.222 NNC(=O)C1=CC=CC=C1N B015275 [0,2,0,0,0,0|1,0,0]=3 37 B11R1.222 N\C(=N/O)C1=CC=CC=C1F B034860 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.37 COC1=C(CCl)C=C(Cl)C=C1 B050863 [0,2,0,0,0,0|1,0,1]=4 39 B11R1.37 COC1=CC=C(Br)C=C1C#N B005860 [0,2,0,0,0,0|1,0,1]=4 40 B11R1.37 COC1=CC=C(Br)C=C1C=O B005855 [0,2,0,0,0,0|0,0,0]=2 41 B11R1.53 NCC1=CC=CC=C1C(=O)O B049870 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 B019566 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.279 COC1=CC=C(C#N)C=C1O B049493 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.167 O=[N+]([O-])C1=C[N+]([O-])=CC=C1O B049972 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.280 COC1=C(O)C=CC(C#N)=C1 B004154 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=C1 B048630 [0,2,0,0,0,0|1,0,0]=3 48 B11R2.106 NC1=C2NN=CC2=CC=C1 B049588 [0,1,0,1,0,0|2,0,0]=4 49 B11R2.106 NC1=CC=CC2=C1N=CN2 B049587 [0,1,0,1,0,0|2,0,0]=4 50 B11R2.106 OC1=CC=CC2=NSN=C12 B050223 [0,1,0,1,0,0|1,1,0]=4 51 B11R2.10 ClC1=NC2=CC=CC=C2N1 B028974 [0,1,0,1,0,0|2,0,0]=4 52 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,1,0,1,0,0|1,0,0]=3 53 B11R2.1 NC1=NNC2=C1C=CC=C2 B047143 [0,1,0,1,0,0|2,0,0]=4 54 B11R2.36 NC1=CC2=C(C=C1)C=NN2 B019849 [0,1,0,1,0,0|2,0,0]=4 55 B11R2.36 NC1=CC2=C(C=CN2)C=C1 B050532 [0,1,0,1,0,0|2,0,0]=4 56 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,0,0,0,1,0|2,0,0]=4 57 B7R1.1 O=CC1=CNN=C1 B015969 [1,0,0,0,1,0|2,0,0]=4 58 B7R1.1 O=CC1=CNN=C1 B039241 [1,0,0,0,1,0|2,0,0]=4 59 B7R1.1 O=CC1=NC=CS1 B046187 [1,0,0,0,1,0|2,0,0]=4