0 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [1,0,0,0,0,0|2,0,1]=4 1 B10R1.30 CCC1=C(N)C=CC(I)=C1 9071544 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.30 CCC1=NC(C)=CC=C1O 5170366 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.30 COC1=C(F)C=NC(=O)N1 4044333 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.30 N#CC1=C(O)C=CC(N)=C1 4044158 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.172 C#CC1=CC(C=O)=CC=C1 4031050 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.172 CCC1=NC(C=O)=CC=N1 4030595 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.172 COC1=CC(CCl)=NC=C1 4016648 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [1,0,0,0,0,0|0,1,0]=2 14 B10R1.172 CSC1=CC=CC(CN)=C1 4002912 [1,0,0,0,0,0|1,1,1]=4 15 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.176 N#CC1=CC=C(O)C(N)=C1 4030547 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 4004227 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.270 C=CCC1=CC(C=O)=CC=C1O 6474172 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 4034699 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4027897 [0,1,0,0,0,0|0,0,0]=1 26 B12R2.44 NNC1=CC=C2OCOC2=C1 4003163 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 4092419 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.257 CCN1C(C)=CC=C1C=O 4035394 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.2 CC1=NC(C=O)=CC=N1 4086614 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.2 O=CC1=CC(Br)=CN=C1 4011095 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.69 CC1=C(C)NC(=O)C=C1 4034896 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [1,1,0,0,0,0|0,0,2]=4 35 B11R1.189 CCOC1=CC(C=O)=CC=C1 3002619 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.189 CNCC1=CC(OC)=CC=C1 4004535 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.189 CNCC1=CC(OC)=CC=C1 4087815 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.189 COC1=CC(CNN)=CC=C1 4015018 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 4004240 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4088790 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.266 COC1=CC=CC(B(O)O)=C1 4200602 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.266 N#CC1=CC(C(N)=O)=CC=C1 4044349 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.14 O=CC1=CC(Cl)=C(O)C(Br)=C1 6453242 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4041103 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.21 CC1=C(N)C=CC(C(N)=O)=C1 4034074 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br 7056783 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4022851 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 4033986 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 4001614 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 4001616 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.278 CC1=C(Cl)C(Cl)=C(C=O)C=C1 4045123 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.279 COC1=CC=C(C=O)C=C1Cl 6945816 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.279 COC1=CC=C(C=O)C=C1F 4303013 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.50 COC1=CC(S(=O)(=O)Cl)=CC=C1Br 4041316 [0,2,0,0,0,0|2,0,0]=4 57 B13R1.3091 COC1=CC=C(B(O)O)C=C1OC 4200604 [0,2,0,0,0,0|1,0,1]=4 58 B13R1.355 CCOC1=CC(CN)=CC=C1OC 9070775 [0,2,0,0,0,0|1,0,1]=4 59 B13R1.355 COCC1=C(OC)C=CC(C=O)=C1 4004180 [0,2,0,0,0,0|0,0,0]=2 60 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 4004512 [0,2,0,0,0,0|1,0,1]=4 61 B13R1.386 COC1=CC=C(CNN)C=C1OC 4110605 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.434 COC1=CC(C=O)=CC(Cl)=C1OC 4004191 [0,2,0,0,0,0|0,0,0]=2 63 B13R1.1249 CCOC1=CC=C(C=O)C=C1CO 4002348 [0,2,0,0,0,0|2,0,0]=4 64 B13R1.1249 CCOC1=CC=C(C=O)C=C1CO 4087763 [0,2,0,0,0,0|2,0,0]=4 65 B13R1.2200 COC1=CC(Br)=C(OC)C=C1C=O 6238031 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.2200 COC1=CC(Cl)=C(C=O)C=C1OC 4003462 [0,2,0,0,0,0|0,0,0]=2 67 B13R1.2430 COC1=C(B(O)O)C=C(C=O)C=C1 3200977 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.2430 COC1=CC=C(C=O)C=C1C(=O)O 6811073 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.97 CN(C)CC1=CC(C=O)=CC=C1O 4001986 [0,2,0,0,0,0|1,0,0]=3 70 B13R1.3981 CCOC1=C(O)C(Cl)=CC(C=O)=C1 6051005 [0,2,0,0,0,0|0,0,0]=2 71 B13R1.3981 CCOC1=C(O)C(I)=CC(C=O)=C1 6046815 [0,2,0,0,0,0|0,0,0]=2 72 B13R1.425 COC1=CC(C=O)=C(Br)C(Cl)=C1O 6488232 [0,2,0,0,0,0|0,0,0]=2 73 B13R1.437 O=CC1=CC(Br)=C(O)C([N+](=O)[O-])=C1 6625984 [0,2,0,0,0,0|2,0,0]=4 74 B11R2.36 BrC1=CC2=C(C=C1)CCO2 4070587 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 4028286 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 4026804 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.57 NNC1=CC=C2OCCOC2=C1 4102448 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.669 CN1C=CC2=CC=C(C=O)C=C21 4026997 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.2121 CC1CC2=CC(C=O)=CC=C2O1 4017150 [0,1,0,1,0,0|1,0,0]=3 80 B13R2.449 CNCC1=CC2=C(C=C1)OCO2 4015017 [0,1,0,1,0,0|1,0,1]=4 81 B13R2.449 NNCC1=CC=C2OCOC2=C1 4014997 [0,1,0,1,0,0|1,0,1]=4 82 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 3005197 [0,1,0,1,0,0|0,1,1]=4 83 B13R2.599 CC1=C(C=O)C=C2OCOC2=C1 4012332 [0,1,0,1,0,0|0,0,0]=2 84 B9R1.21 N1C(C=O)=CC=C1CC 4043976 [1,0,0,0,1,0|2,0,0]=4 85 B9R1.132 CC1=CC=C(C=O)N1C 4029722 [1,0,0,0,1,0|2,0,0]=4