0 B11R1.280 COC1=C(N)N=CC(C#N)=C1 C72027 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.30 CCC1=CC(=O)NC=C1Br D85725 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.30 COC1=CC(F)=CN=C1N D70750 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 D88030 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.176 CN1C=CC(C=O)=CC1=O P13362 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.56 COC1=C(C)C=CC(C(C)C)=C1 D76334 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 D70063 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.78 CCC1=C(CO)C=CC(C#N)=C1 W10517 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.300 N#CC1=CC(C=O)=CC(F)=C1F C92446 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.44 O=CC1=CC2=C(C=C1)CCO2 94696 [0,0,0,1,0,0|1,0,0]=2 15 B12R2.44 O=CC1=CC2=C(C=C1)NCC2 F16225 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 AC3295 [0,0,0,1,0,0|1,0,1]=3 17 B12R2.44 O=CC1=CN=C2OC=CC2=C1 98457 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.72 COC1=C(N)C=CC(Br)=C1F AT10284 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.277 COC1=CC(=O)C(C)=CC1=O A10831 [1,1,0,0,0,0|0,0,1]=3 26 B11R1.189 CCOC1=CC=CC(C=O)=N1 D79228 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.266 COC1=CC(C(=O)O)=NN=C1 F30535 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 78920 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.267 COC1=C(F)C(CO)=CC=C1 W18563 [1,1,0,0,0,0|0,0,2]=4 30 B11R1.267 N#CC1=CC=CC(C=O)=C1O Y14731 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 O11445 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 O11326 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 A11902 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.278 O=CC1=C(O)C(F)=C(Br)C=C1 F53695 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.13 C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1 Y12532 [0,2,0,0,0,0|2,0,0]=4 37 B13R1.13 C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1 Y12533 [0,2,0,0,0,0|2,0,0]=4 38 B13R1.13 C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1 Y13000 [0,2,0,0,0,0|2,0,0]=4 39 B13R1.50 COC1=C(C)C=CC(S(=O)(=O)Cl)=C1 W19257 [0,2,0,0,0,0|2,0,0]=4 40 B13R1.298 COC1=CC([N+](=O)[O-])=CC(Cl)=C1F AC1311 [0,2,0,0,0,0|2,0,0]=4 41 B13R1.651 COC1=CC(C(C)=O)=C(O)C=C1O W15328 [0,2,0,0,0,0|0,0,0]=2 42 B13R1.3091 COC1=C(CBr)C=CC([N+](=O)[O-])=C1 Y14735 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.3091 COC1=C(SC)C=C(C(=O)O)C=C1 79347 [0,2,0,0,0,0|0,1,0]=3 44 B13R1.99 COC1=C(C(F)F)C=CC(C=O)=C1 C77047 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.1249 C#COC1=C(OC)C=C(C=O)C=C1 F51885 [0,2,0,0,0,0|0,0,0]=2 46 B11R2.36 BrC1=CN=C2OCOC2=C1 E10108 [1,0,0,1,0,0|2,0,0]=4 47 B11R2.36 NC1=CC=C2OCOC2=N1 P19024 [1,0,0,1,0,0|2,0,0]=4 48 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 C10566 [0,1,0,1,0,0|1,0,1]=4 49 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 F53588 [0,1,0,1,0,0|1,0,1]=4 50 B13R2.57 O=CC1=CC2=C(C=C1)CCCO2 94699 [0,1,0,1,0,0|1,0,0]=3 51 B13R2.57 O=CC1=CC2=C(C=C1)CNCC2 72318 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.57 O=CC1=NN=C2OCCOC2=C1 AT15328 [0,1,0,1,0,0|2,0,0]=4 53 B13R2.599 COC1=CC2=C(C=C1N)OCO2 AC9649 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.14 COC1=C(C=O)C=CS1 P15996 [1,0,0,0,1,0|1,0,0]=3