0 B11R2.1 BrC1=C2C=CC=CN2N=C1 4038819 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=NN=C2C=CC=CN12 4045654 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 BrC1=NNC2=NC=CC=C12 4045670 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [0,0,0,0,0,0|2,0,0]=2 4 B11R2.1 IC1=NNC2=CC=CC=C21 4027330 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.1 NC1=C2C=CC=NC2=NS1 4049786 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.1 NC1=NN=C2C=CC=CN12 4006052 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.1 NC1=NNC2=NC=CC=C12 4030179 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.1 NC1=NOC2=C1C=CC=N2 4031139 [0,0,0,0,0,0|2,0,0]=2 9 B11R2.1 NC1=NOC2=C1N=CC=N2 4046744 [0,0,0,0,0,0|3,0,0]=3 10 B11R2.1 NC1COC2=CC=CC=C21 4018205 [0,0,0,0,0,0|2,0,1]=3 11 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [0,0,0,0,0,0|1,0,2]=3 12 B11R2.1 O=C1NCC2=CC=CN=C12 4037457 [0,0,0,0,0,0|2,0,2]=4 13 B10R2.7 C1=CC2=CC=NC=C2N1 4108319 [1,0,0,0,0,0|3,0,0]=4 14 B10R2.7 C1=CN=C2NN=CC2=C1 4031574 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.1 NCC1=NN=C2C=CC=CN21 4030877 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.1 NCC1=NNC2=NC=CC=C12 4039054 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.1 NCC1=NNC2=NC=CC=C12 4108968 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.1 OCC1=CN=C2C=CC=CN12 4026329 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 4045631 [0,1,0,0,0,0|1,0,2]=4 20 B12R2.132 CC1=CC=C2NN=C(I)C2=C1 4028371 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.132 CN1N=NC2=CC=C(N)C=C21 4043385 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.132 FC1=CC=C2NN=C(I)C2=C1 4028769 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.132 NC1=CC2=C(C=C1)NN=C2O 4048302 [0,1,0,0,0,0|1,0,0]=2 24 B12R2.132 NC1=NNC2=C1C=C(Br)C=C2 4030983 [0,1,0,0,0,0|2,0,0]=3 25 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 4046843 [0,1,0,0,0,0|1,0,2]=4 26 B12R2.132 O=C1NCC2=CC=C(F)C=C12 4036568 [0,1,0,0,0,0|1,0,2]=4 27 B12R2.132 OC1=CC=C2ON=C(Cl)C2=C1 4086352 [0,1,0,0,0,0|1,0,0]=2 28 B12R2.196 CN1N=NC2=C(N)C=CC=C21 4042946 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.203 CC1=NOC2=C1C(=O)NC=N2 4043320 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.203 CC1=NOC2=C1C(N)=NC=N2 4043348 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.203 NC1=NNC2=C1C(F)=CC=C2 4031326 [0,1,0,0,0,0|2,0,0]=3 32 B12R2.612 CC1=CC2=C(C=C1)C(I)=NN2 4046881 [0,1,0,0,0,0|2,0,0]=3 33 B12R2.612 CC1=CC=C2C(N)=NNC2=N1 4030564 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.612 CC1=NOC2=CC(O)=CC=C21 4043535 [0,1,0,0,0,0|1,0,0]=2 35 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 4029281 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.612 CN1N=NC2=C1C=CC(N)=C2 4021788 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.612 CN1N=NC2=CC(Br)=CC=C21 4110853 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 4031120 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.2028 CN1N=C(I)C2=CC=CC=C21 4026950 [0,1,0,0,0,0|2,0,0]=3 40 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 4026945 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.15 N\C(=N/O)C1=NC=CC=N1 4042685 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.17 ICCOC1=CC=CC=C1 5101649 [0,0,1,0,0,0|2,0,1]=4 43 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [0,0,1,0,0,0|1,0,2]=4 44 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [0,0,1,0,0,0|1,1,1]=4 45 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [0,0,1,0,0,0|1,1,1]=4 46 B10R1.61 O=C(O)C1=C(O)N=CC=N1 4031675 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [0,0,1,0,0,0|2,1,0]=4 48 B12R2.24 NC1COC2=CC=CC=C2C1 4018509 [0,0,0,0,0,1|2,0,1]=4 49 B12R2.1081 BrC1=NC=CC2=NC=CC=C12 4065156 [0,0,0,0,0,1|3,0,0]=4 50 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 4031515 [0,0,0,0,0,1|2,0,0]=3 51 B12R2.1081 O=C1NCCC2=CC=CC=C12 4045791 [0,0,0,0,0,1|1,0,2]=4 52 B12R2.1081 OC1=CC=CC2=CN=CC=C12 4034700 [0,0,0,0,0,1|3,0,0]=4 53 B12R2.1081 OC1CNCC2=CC=CC=C21 4020540 [0,0,0,0,0,1|1,0,2]=4 54 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [1,0,1,0,0,0|1,0,0]=3 55 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [1,0,1,0,0,0|1,0,0]=3 56 B9R1.6 OB(O)C1=CC=NC=C1 3200984 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 4030196 [0,1,1,0,0,0|1,0,0]=3 58 B11R1.1 C=CCOC1=CC=C(N)C=C1 4023587 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.17 C=CCOC1=CC=CC=C1N 4023578 [0,1,1,0,0,0|2,0,0]=4 60 B11R1.24 C=CCOC1=CC=CC(N)=C1 4023582 [0,1,1,0,0,0|2,0,0]=4 61 B11R1.24 NC1=CC=CC(OCCO)=C1 4030762 [0,1,1,0,0,0|1,0,1]=4 62 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [0,1,1,0,0,0|1,0,1]=4 63 B11R1.37 COC1=CC=C(Cl)C=C1C=O 3014153 [0,1,1,0,0,0|1,0,1]=4 64 B11R1.37 COC1=CC=C(O)C=C1C=O 9070716 [0,1,1,0,0,0|1,0,1]=4 65 B11R1.53 COC1=C(B(O)O)C=CC=C1 4200601 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.53 NCC1=CC=CC=C1C(=O)O 4028019 [0,1,1,0,0,0|1,0,1]=4 67 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 4041390 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.167 CC1=CC(C(=O)O)=C(O)C=N1 4066855 [0,1,1,0,0,0|2,0,0]=4 69 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [1,1,0,0,0,0|2,0,0]=4 70 B11R2.36 BrC1=CC2=C(C=C1)CCO2 4070587 [1,1,0,0,0,0|1,0,1]=4 71 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 4028954 [1,1,0,0,0,0|2,0,0]=4 72 B11R2.36 CC1=CC=C2NN=CC2=C1 4028132 [1,1,0,0,0,0|1,0,0]=3 73 B11R2.36 ClC1=CC=C2NN=CC2=C1 4028691 [1,1,0,0,0,0|1,0,0]=3 74 B11R2.36 FC1=CC=C2NN=CC2=C1 4028455 [1,1,0,0,0,0|1,0,0]=3 75 B11R2.36 NC1=CC=C2SN=CC2=C1 4044159 [1,1,0,0,0,0|0,1,0]=3 76 B11R2.36 OC1=CC=C2C=NOC2=C1 4036298 [1,1,0,0,0,0|0,0,0]=2 77 B11R2.106 BrC1=C2SC=CC2=CC=C1 4029546 [1,1,0,0,0,0|1,1,0]=4 78 B11R2.106 BrC1=CC=CC2=C1CCO2 4072546 [1,1,0,0,0,0|1,0,1]=4 79 B11R2.106 CC1=C2C=CNC2=CC=C1 4036770 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.106 CC1=C2C=NNC2=CC=C1 4028681 [1,1,0,0,0,0|1,0,0]=3 81 B11R2.106 CC1=C2NN=CC2=CC=C1 4026959 [1,1,0,0,0,0|1,0,0]=3 82 B11R2.106 CC1=CC=CC2=C1C=CN2 3020087 [1,1,0,0,0,0|2,0,0]=4 83 B11R2.106 ClC1=C2C=NNC2=CC=C1 4027063 [1,1,0,0,0,0|1,0,0]=3 84 B11R2.106 NC1=C2CCOC2=CC=C1 4088054 [1,1,0,0,0,0|1,0,1]=4 85 B11R2.106 NC1=C2N=NNC2=CC=C1 4035802 [1,1,0,0,0,0|2,0,0]=4 86 B11R2.106 NC1=C2N=NNC2=CC=C1 4090246 [1,1,0,0,0,0|2,0,0]=4 87 B11R2.106 NC1=CC=CC2=C1C=NN2 4029340 [1,1,0,0,0,0|1,0,0]=3 88 B11R2.106 NC1=CC=CC2=C1NN=C2 4028875 [1,1,0,0,0,0|1,0,0]=3 89 B11R2.106 NC1=CC=CN2C=NN=C12 4041518 [1,1,0,0,0,0|2,0,0]=4 90 B11R2.106 OC1=C2N=COC2=CC=C1 4032023 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.32 CC1=C(O)C=CC2=CC=CC=C21 4021629 [0,1,0,0,0,1|2,0,0]=4 92 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 4110360 [0,1,0,0,0,1|1,0,1]=4 93 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 5256404 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=N1 4048787 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 4038940 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br 4032198 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 4029774 [0,1,0,0,0,1|1,0,1]=4 98 B13R2.371 CC1=NN=C(Cl)C2=CC=CC=C21 4041177 [0,1,0,0,0,1|2,0,0]=4 99 B13R2.371 CC1=NNC(=O)C2=CC=CC=C21 4036366 [0,1,0,0,0,1|1,0,1]=4 100 B13R2.371 OC1=NN=C(Cl)C2=CC=CC=C21 4027407 [0,1,0,0,0,1|1,0,0]=3 101 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 4033979 [0,1,0,0,0,1|2,0,0]=4 102 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 4090099 [0,1,0,0,0,1|2,0,0]=4 103 B13R2.1613 NNC1=NC=NC2=CC=CC=C21 4004613 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 4041027 [0,2,0,0,0,0|1,0,0]=3 105 B13R2.72 OB(O)C1=CSC2=C1C=CC=C2 3200961 [0,2,0,0,0,0|1,1,0]=4 106 B13R2.2931 CCN1N=C(N)C2=C1C=CC=C2 4027795 [0,2,0,0,0,0|2,0,0]=4 107 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 4002706 [0,2,0,0,0,0|2,0,0]=4 108 B13R2.45 CC1=C(CN)OC2=CC=CC=C21 4041189 [0,2,0,0,0,0|2,0,0]=4 109 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 4043331 [0,2,0,0,0,0|2,0,0]=4 110 B13R2.5187 CC1=CC=C2C(=C1)C(I)=NN2C 4027064 [0,2,0,0,0,0|2,0,0]=4 111 B13R2.5187 CN1N=C(I)C2=CC(F)=CC=C21 4027784 [0,2,0,0,0,0|2,0,0]=4 112 B13R2.4857 CC1=C2C(=CC=C1)N(C)N=C2I 4028102 [0,2,0,0,0,0|2,0,0]=4 113 B13R2.4857 CN1N=C(I)C2=C(Cl)C=CC=C21 4027886 [0,2,0,0,0,0|2,0,0]=4 114 B13R2.4857 CN1N=C(N)C2=C1C=CC=C2Cl 4028007 [0,2,0,0,0,0|2,0,0]=4 115 B13R2.11642 CC1=C2C(=O)COC2=CC(O)=C1 4030217 [0,2,0,0,0,0|1,0,1]=4 116 B13R2.12159 NC1=NS(=O)(=O)C2=C1C=CC=C2 4017284 [0,2,0,0,0,0|1,1,0]=4 117 B13R2.12159 O=S1(=O)N=C(Cl)C2=C1C=CC=C2 4043073 [0,2,0,0,0,0|1,1,0]=4 118 B9R1.11 N\C(=N/O)C1=CC=CO1 4031756 [0,0,1,0,1,0|2,0,0]=4 119 B13R2.33 O=C1COC2=CC=CC=C2CN1 4027041 [0,0,0,0,0,2|1,0,1]=4 120 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 4046465 [0,0,0,0,0,2|1,0,1]=4