0 B11R1.280 COC1=C(N)N=CC(C#N)=C1 C72027 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 N#CC1=C(Cl)C=CC(CN)=C1 Y10669 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.280 N#CC1=C(Cl)C=CC(CN)=C1 Y10802 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.30 COC1=CC(F)=CN=C1N D70750 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [1,0,0,0,0,0|2,1,0]=4 8 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.172 CCC1=CC=CC(NC)=N1 C77377 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.172 COC1=NC(CN)=NC=C1 P10963 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.176 CC1=C(C)N=C(CN)C=C1 D85900 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.176 OCC1=CC(Br)=C(F)N=C1 P17928 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.56 COC1=C(C)C=CC(C(C)C)=C1 D76334 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 D70063 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.78 CCC1=C(CO)C=CC(C#N)=C1 W10517 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.453 CC1=C(B(O)O)C=C(CO)C=C1 O10118 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.44 O=CC1=CC2=C(C=C1)CCO2 94696 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.2 OCC1=NC=CC(F)=C1 79250 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.69 CN1C=C(O)C=CC1=O P17267 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.72 COC1=C(N)C=CC(Br)=C1F AT10284 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.277 CCC1=C(Br)C=C(F)C(O)=C1 70403 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.277 COC1=CC(=O)C(C)=CC1=O A10831 [1,1,0,0,0,0|0,0,2]=4 31 B11R1.189 NCC1=CC=CC(CCO)=C1 O10460 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y12185 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 32100 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.266 C[C@H](N)C1=CC=CC(CO)=C1 Y14056 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 78920 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.267 COC1=C(F)C(CO)=CC=C1 W18563 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.21 C[C@H](N)C1=CC(F)=C(O)C=C1 Y13967 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 A11902 [1,1,0,0,0,0|1,0,0]=3 39 B13R1.49 COC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13193 [0,2,0,0,0,0|1,0,0]=3 40 B13R1.49 COC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13208 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 D96458 [0,2,0,0,0,0|1,0,0]=3 42 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 Y14843 [0,2,0,0,0,0|1,0,0]=3 43 B13R1.651 COC1=CC(C(C)=O)=C(O)C=C1O W15328 [0,2,0,0,0,0|0,0,2]=4 44 B13R1.3091 COC1=C(SC)C=C(C(=O)O)C=C1 79347 [0,2,0,0,0,0|0,1,1]=4 45 B13R1.99 CCC1=CC(CC)=C(C(=O)O)C=C1 W11605 [0,2,0,0,0,0|2,0,0]=4 46 B13R1.1249 C#COC1=C(OC)C=C(C=O)C=C1 F51885 [0,2,0,0,0,0|0,0,2]=4 47 B13R1.97 OCC1=CC(OC(F)F)=C(Cl)C=N1 D80037 [0,2,0,0,0,0|2,0,0]=4 48 B11R2.36 BrC1=CN=C2OCOC2=C1 E10108 [1,0,0,1,0,0|2,0,0]=4 49 B11R2.36 NC1=CC=C2OCOC2=N1 P19024 [1,0,0,1,0,0|2,0,0]=4 50 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 C10566 [0,1,0,1,0,0|1,0,0]=3 51 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 F53588 [0,1,0,1,0,0|1,0,0]=3 52 B13R2.430 OB(O)C1=CN=C2OCOC2=C1 P19196 [0,1,0,1,0,0|2,0,0]=4 53 B13R2.57 OCC1=CC=C2OCCOC2=N1 C75889 [0,1,0,1,0,0|1,0,0]=3 54 B13R2.599 COC1=CC2=C(C=C1N)OCO2 AC9649 [0,1,0,1,0,0|1,0,0]=3