0 B11R1.53 CN(C)C1=NC=CC=C1CO 4036027 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.53 CNC1=NC=CC=C1C(=O)O 4020830 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.53 NCC1=CC=CC=C1C(=O)O 4028019 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.20 CNC1=NC=CC=C1C=O 4004446 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.20 COC1=CC=CN=C1CCl 4036580 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.20 COC1=NC=CC=C1CCl 4038448 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.61 CC1=CC=CN=C1C(C)N 4027822 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.61 CC1=NC=NC=C1C(=O)O 4026899 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.61 CN(C)C1=C(Cl)N=CC=N1 4034841 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.61 O=C(O)C1=C(O)N=CC=N1 4031675 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.57 CCC1=NC(O)=CC=C1C(=O)O 4057597 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.261 CN(C)C1=NC=CC=C1C(=O)O 4016055 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.283 CCCC1=NC=NC=C1C(=O)O 4043713 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 3005255 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.1081 O=C1NCCC2=CC=CC=C12 4045791 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.39 CCC1=C(C(=O)O)C=NO1 4043511 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.39 CCC1=C(C(=O)O)N=CO1 4015604 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.39 CCC1=C(C(=O)O)SN=N1 4035200 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.39 CCC1=NNC=C1C(=O)O 4034364 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.39 CCN1N=CC=C1C(=O)O 4029462 [0,0,0,0,1,0|2,0,0]=3 22 B10R1.39 CCN1N=CN=C1C(C)N 4027209 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.15 CC1=C(CBr)N=CC=C1 4061731 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.15 CC1=C(CCl)N=CC=C1 4002155 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.15 CC1=NC=CC=C1CCl 4048084 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.15 CC1=NC=CN=C1CCl 4036445 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.15 CC1=NC=CN=C1CO 4036444 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.15 CCC1=NC=CNC1=O 4045735 [2,0,0,0,0,0|0,0,1]=3 29 B9R1.15 CNC1=NC=CN=C1Cl 4043851 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 O=CC1=CC=CN=C1Br 4003257 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.37 COC1=CC=C(C)N=C1C=O 4034767 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.41 COC1=NC=CC=C1CCO 4067982 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.265 COC1=C(C=O)C(Cl)=CC=N1 4091823 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.265 COC1=C(C=O)C(I)=CC=N1 4030466 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl 4029816 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.166 CC(=O)C1=CNC(=O)N=C1C 4033476 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.222 CNC(=O)C1=CC=CN=C1Cl 9071187 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 4033750 [0,1,0,0,1,0|2,0,0]=4 39 B11R1.59 CCN1N=CC=C1C(=O)NN 4036182 [0,1,0,0,1,0|2,0,0]=4 40 B11R1.178 CC(C)C1=C(C(=O)O)N=CO1 4015606 [0,1,0,0,1,0|2,0,0]=4 41 B11R1.178 CC(C)N1N=CC=C1C(=O)O 7117667 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.471 CCC1=NOC(C)=C1C(=O)O 4004641 [0,1,0,0,1,0|2,0,0]=4 43 B11R1.471 CCN1N=CC(Cl)=C1C(=O)O 4034488 [0,1,0,0,1,0|2,0,0]=4 44 B13R1.91 CCC1=CC=CC=C1NC(=O)CCl 3015636 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.165 CC(C)C1=NC(O)=CC=C1C(=O)O 4060781 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.57 CCC1=NC=CN1CC(C)=O 4028178 [0,0,1,1,0,0|0,0,2]=4 47 B11R1.57 CCC1=NC=CN1CC(C)=O 4090393 [0,0,1,1,0,0|0,0,2]=4 48 B11R2.1 O=C1NCC2=CC=CN=C12 4037457 [1,0,0,1,0,0|2,0,0]=4 49 B11R2.106 O=C1CCCC2=C1C=NN2 4044496 [0,0,0,1,1,0|1,0,1]=4 50 B9R1.14 CCN1C=CN=C1C=O 4004954 [1,0,0,0,1,0|1,0,0]=3 51 B9R1.14 CCN1N=CN=C1C=O 4028391 [1,0,0,0,1,0|1,0,0]=3 52 B9R1.41 CC(=O)C1=C(C)N=CS1 4006179 [1,0,0,0,1,0|1,0,0]=3 53 B9R1.41 CC(=O)C1=C(C)NN=C1 4017057 [1,0,0,0,1,0|1,0,1]=4 54 B9R1.41 CC(=O)C1=CC=NN1C 4030373 [1,0,0,0,1,0|1,0,0]=3 55 B9R1.41 CC(=O)C1=NC=NN1C 4026611 [1,0,0,0,1,0|1,0,0]=3 56 B9R1.41 CC(=O)C1=NON=C1C 4031228 [1,0,0,0,1,0|1,0,0]=3 57 B9R1.41 CC1=C(C(=O)O)C=CN1 4043878 [1,0,0,0,1,0|1,0,1]=4 58 B9R1.41 CC1=C(C(=O)O)N=CN1 4108169 [1,0,0,0,1,0|1,0,1]=4 59 B9R1.41 CC1=C(C(=O)O)N=CN1 4402344 [1,0,0,0,1,0|1,0,1]=4 60 B9R1.41 CC1=C(C(=O)O)N=CO1 4015603 [1,0,0,0,1,0|2,0,0]=4 61 B9R1.41 CC1=C(C(=O)O)SC=N1 4402151 [1,0,0,0,1,0|2,0,0]=4 62 B9R1.41 CC1=NNN=C1C(=O)O 4029050 [1,0,0,0,1,0|2,0,0]=4 63 B9R1.41 CC1=NON=C1C(=O)O 4401891 [1,0,0,0,1,0|2,0,0]=4 64 B9R1.41 CC1=NSN=C1C(=O)O 4040150 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.41 CN1N=CC=C1C(=O)O 4401287 [1,0,0,0,1,0|2,0,0]=4 66 B9R1.41 CN1N=CN=C1C(=O)O 4027955 [1,0,0,0,1,0|2,0,0]=4