0 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 MO00751 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 CC(=O)C1=CC=C(Br)S1 KM02339 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.35 O=C(O)C1=CC=C(Br)S1 BTB12643 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.35 O=C(O)C1=CC=C(Cl)S1 KM03331 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.41 CC1=C(C(N)=S)SC=C1 SEW03532 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.41 NC(=O)C1=C(Br)C=CS1 SEW03839 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.41 NC(=O)C1=C(Cl)C=CS1 GK01727 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.41 NC(=O)C1=C(N)C=CS1 GK00439 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.41 O=C(O)C1=C(Br)C=CS1 SEW01838 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.41 O=C(O)C1=C(Cl)C=CS1 GK01306 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.49 CCN1N=C(C)C=C1C(=O)O SPB01840 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.225 CC1=NC(C)=C(C(=O)NN)S1 SPB01606 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.225 CC1=NC(C)=C(\C(C)=N\O)O1 SEW01646 [0,1,0,0,0,0|0,1,1]=3 14 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 SP00004 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C CC08601 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O CC14701 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.166 CC(=O)C1=CN=C(N)N=C1C CD10099 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 SB01990 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.645 CC(=O)NC1=CC(C)=NN1C KM00491 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.645 CC1=NC(CC(=O)O)=C(C)S1 TL01023 [0,0,0,0,0,1|3,0,0]=4 22 B10R1.31 CC(=O)C1=CC=C(C#N)S1 TL00354 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.31 CSC1=CC=C(C(N)=O)S1 SEW03628 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.149 COC(=O)C1=C(Br)C=CS1 SEW02691 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.149 COC(=O)C1=C(N)C=CS1 SB01239 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.149 COC(=O)C1=C(O)C=CS1 SB01952 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.358 COC(=O)C1=CC(=O)N=C(N)S1 RF02299 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.358 COC(=O)C1=NC(O)=NC(C)=C1 SPB06320 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.532 CNC(=O)NC1=CC(C)=NN1C KM00018 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.608 COC(=O)C1=C(N)N=C(SC)S1 KM05084 [0,2,0,0,0,0|1,0,0]=3 32 B12R1.313 CC1=CC(C(=O)CC#N)=C(C)O1 SP00064 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 KM10848 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.313 CCOC(=O)C1=C(C)N=C(Br)S1 MO00750 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 BTB10693 [0,2,0,0,0,0|1,0,0]=3 36 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 RF02301 [0,2,0,0,0,0|1,0,0]=3 37 B12R1.313 CCOC(=O)C1=C(C)NC(C)=C1 SP00003 [0,2,0,0,0,0|1,0,1]=4 38 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C KM08882 [0,0,0,0,0,2|2,0,0]=4 39 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 RJC01302 [0,0,0,0,0,2|2,0,0]=4