0 B11R1.280 COC1=CC(C=O)=CN=C1F SPC-u826 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.172 COC1=CC(C=O)=CN=C1 SPC-g844 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.172 COC1=CN=CC(CN)=C1 SPC-n799 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.172 COC1=NC=CC(C=O)=C1 SPC-h062 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.172 COC1=NC=CC(CCl)=C1 SPC-s960 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.172 COC1=NC=CC(CN)=C1 SPC-j640 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.172 CSC1=NC(C=O)=CC=N1 SPC-r249 [1,0,0,0,0,0|2,1,0]=4 7 B10R1.172 N#CC1=CC(C=O)=CN=C1 SPC-r213 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.172 N#CC1=NC=CC(C=O)=C1 SPC-r186 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.176 CC1=C(F)C=CC(C=O)=N1 SPC-n216 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 SPC-t001 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 SPC-u454 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 SPC-p575 [0,1,0,0,0,0|1,0,1]=3 13 B12R2.44 O=CC1=CC2=C(C=C1)NN=C2 SPC-m917 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.2 CC1=CC=NC(C=O)=N1 SPC-t698 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.2 COC1=CN=CC(N)=C1 SPC-r210 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.2 COC1=NC=CC(N)=C1 SPC-g039 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.2 O=CC1=CC(Cl)=CN=C1 SPC-t054 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.2 O=CC1=CC(Cl)=NC=C1 SPC-g523 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.2 O=CC1=CC(F)=CN=C1 SPC-m553 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.2 O=CC1=CC=CC(Br)=N1 SPC-j152 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.2 O=CC1=NC=CC(Br)=C1 SPC-p520 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.2 O=CC1=NC=CC(Cl)=C1 SPC-g681 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.15 COC1=NC=CC=C1N SPC-t771 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.69 CC1=CC(O)=C(F)C=C1 SPC-t646 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.69 OC1=C(F)C=C(F)C=C1 SPC-s208 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 CC1=NC=C(C=O)C=C1 SPC-g684 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.1 NC1=NC=C(C=O)C=C1 SPC-h376 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.1 O=CC1=CN=C(Br)C=C1 SPC-j262 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.1 O=CC1=NC=C(O)C=C1 SPC-u413 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.8 COC1=C(O)C(C)=CC(Br)=C1 SPC-m592 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.277 COC1=C(Br)C=C(N)C(C)=C1 SPC-r019 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.9 COC1=CC(C)=CC(C=O)=C1 SPC-t883 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.189 COC1=CC(CNN)=CC=C1 SPC-n836 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.266 COC1=CC(C(=O)O)=CN=N1 SPC-p817 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.14 CC1=CC(C#N)=CC(Cl)=C1O SPC-j003 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.21 CN1C=C(C(=O)O)C=CC1=O SPC-j150 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 SPC-u326 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=N1 SPC-t228 [0,2,0,0,0,0|2,0,0]=4 39 B13R1.49 COC(=O)C1=NC(OC)=C(Br)C=C1 SPC-u796 [0,2,0,0,0,0|2,0,0]=4 40 B13R1.651 COC1=C(F)C=C(N)C(C(=O)O)=C1 SPC-r022 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 SPC-u369 [0,2,0,0,0,0|1,0,0]=3 42 B13R1.3091 COC1=C(CO)C=CC(C(=O)O)=C1 SPC-k709 [0,2,0,0,0,0|0,0,0]=2 43 B13R1.2431 COC(=O)C1=C(O)C=CC(C#N)=C1 SPC-u467 [0,2,0,0,0,0|1,0,1]=4 44 B11R2.36 NC1=CC2=C(C=C1)OCC2 SPC-s196 [1,0,0,1,0,0|2,0,0]=4 45 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 SPC-m867 [0,1,0,1,0,0|1,0,1]=4 46 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 SPC-t487 [0,1,0,1,0,0|2,0,0]=4 47 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 SPC-p815 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.599 COC1=C(Cl)C=C2NN=CC2=C1 SPC-q906 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 SPC-p807 [0,1,0,1,0,0|2,0,0]=4 50 B13R2.599 COC1=CC2=CNN=C2C=C1Br SPC-j707 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.14 COC1=C(C=O)C=CS1 SPC-n025 [1,0,0,0,1,0|1,0,0]=3 52 B9R1.132 CC1=CNC(C=O)=C1C SPC-m565 [1,0,0,0,1,0|2,0,0]=4