0 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 6H21-1-00 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 6H66-1-0V [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 8H21-1-Z2 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.15 O=CC1=CC2=C(C=CS2)S1 6H15-1-X7 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 4H23-1-Q2 [0,1,0,0,0,0|0,1,0]=2 5 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 8H70-1-P8 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 8H21-9-00 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O 4H57-1-49 [0,0,1,0,0,0|0,1,2]=4 8 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 4H21-1-A1 [0,0,0,0,0,1|3,0,0]=4 9 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 3H21-1-X0 [0,0,0,0,0,1|2,0,0]=3 10 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 2H21-1-1G [0,0,0,0,0,1|1,1,0]=3 11 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 4H21-1-D0 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 4H58-1-368 [0,0,0,0,0,1|2,1,0]=4 13 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 8H70-1-V4 [0,0,0,0,0,1|2,0,0]=3 14 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 4H21-1-21 [0,0,0,0,0,1|2,0,0]=3 15 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 4H21-1-E8 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 2H21-1-W9 [0,0,0,0,0,1|1,1,0]=3 17 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 8H70-1-Z9 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.430 O=C(O)C1=CC=C2SN=NC2=C1 8H21-1-Z0 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 4H21-1-D5 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 4H21-1-BX [0,0,0,0,0,1|2,0,0]=3 21 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 6H17-1-10 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 4H48-1-ET [0,0,0,0,0,1|2,0,0]=3 23 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2O1 2H16-5-X8 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 6H16-5-X1 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 4H21-1-G4 [0,0,0,0,0,1|1,0,0]=2 26 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 2H21-1-08 [0,0,0,0,0,1|2,0,0]=3 27 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 6H21-1-Y8 [0,0,0,0,0,1|2,0,0]=3 28 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 8H21-1-64 [0,0,0,0,0,1|2,0,0]=3 29 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 4H21-1-DD [0,0,0,0,0,1|1,0,0]=2 30 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 4H21-1-BG [0,0,0,0,0,1|1,0,0]=2 31 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 8H21-1-86 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 8H21-1-17 [0,0,0,0,0,1|2,0,0]=3 33 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4H21-1-16 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 4H56-1-P8 [0,0,0,0,0,1|2,0,1]=4 35 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 4H21-1-A8 [0,0,0,0,0,1|2,0,1]=4 36 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 4H21-1-88 [0,0,0,0,0,1|2,0,0]=3 37 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 P911-A-34 [0,0,0,0,0,1|2,0,0]=3 38 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 4H21-1-X7 [0,0,0,0,0,1|1,0,2]=4 39 B10R1.66 O=C(O)\C=C\C1=CC=CO1 2H21-1-Z9 [1,0,1,0,0,0|0,1,0]=3 40 B10R1.66 O=C(O)\C=C\C1=CC=CS1 6H21-1-Y4 [1,0,1,0,0,0|0,0,0]=2 41 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 8H66-1-6A [1,0,1,0,0,0|1,0,1]=4 42 B10R1.31 O=CC1=CC=C(C(=O)O)S1 6H21-1-X0 [1,0,1,0,0,0|1,1,0]=4 43 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 4H21-9-Z9 [1,0,1,0,0,0|2,0,0]=4 44 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 8H70-1-W7 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 8H57-1-X4 [0,1,0,0,0,1|2,0,0]=4 46 B14R2.624 O=C(O)C1=C(F)C=C2C=COC2=C1 2H21-3-0K [0,1,0,0,0,1|1,1,0]=4 47 B14R2.966 COC(=O)C1=CC=C2C=CNC2=C1 4H23-1-16 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.966 COC(=O)C1=CC=C2NC=CC2=C1 4H23-1-15 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.966 O=C(CBr)C1=CC=C2SC=CC2=C1 6H66-9-X1 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CC=C21 4H56-1-6D [0,1,0,0,0,1|2,0,0]=4 51 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1Cl 4H21-5-V6 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.8824 O=C(O)C1=CC(Br)=C2C=CNC2=C1 4H21-9-0H [0,1,0,0,0,1|2,0,0]=4 53 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 2H21-1-06 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O 4H58-1-172 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.450 NC1=C(C(=O)O)SC2=CC=CC=C21 8H57-1-X2 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 4H58-9-93 [0,1,0,0,0,1|1,0,0]=3 57 B14R2.972 COC(=O)C1=CC2=CC=CC=C2O1 2H23-1-13 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.972 COC(=O)C1=CC2=NC=CC=C2S1 8H66-1-2R [0,1,0,0,0,1|2,0,0]=4 59 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2N1 4H56-1-L5 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=C1 6H21-1-X7 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.4529 CC1=CC=C2SC(C(=O)O)=CC2=C1 6H21-1-0W [0,1,0,0,0,1|2,0,0]=4 62 B14R2.4529 NC1=CC=C2SC(C(=O)O)=CC2=C1 8H57-1-X3 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 4H21-9-Y6 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 2H21-9-X2 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 6H21-9-X3 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 2H21-5-X0 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 4H21-3-Y0 [0,1,0,0,0,1|1,0,0]=3 68 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2O1 2H21-3-0C [0,1,0,0,0,1|2,0,0]=4 69 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2S1 6H21-3-52 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 4H21-9-Y7 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 6H21-9-X6 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2S1 6H21-5-X1 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 4H56-5-W2 [0,1,0,0,0,1|1,0,0]=3 74 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 4H21-3-62 [0,1,0,0,0,1|1,0,0]=3 75 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2S1 6H21-3-X4 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.4529 O=C(O)C1=NC2=CC(Br)=CC=C2N1 4H21-9-Z6 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 4H58-1-004 [0,1,0,0,0,1|1,0,0]=3 78 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 6H21-9-00 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 6H21-5-X5 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 4H21-3-20 [0,1,0,0,0,1|1,0,0]=3 81 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2S1 6H21-3-02 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 2H21-9-0D [0,1,0,0,0,1|2,0,0]=4 83 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 6H21-9-10 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2O1 2H21-5-08 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 6H21-5-X0 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2S1 6H21-3-72 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.23 O=C(O)C(=O)C1=CC=CS1 6H66-1-X1 [0,0,1,0,1,0|1,0,0]=3 88 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 2921-1-Y6 [0,0,1,0,0,1|2,0,0]=4 89 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 2921-3-02 [0,0,1,0,0,1|2,0,0]=4 90 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 2921-1-31 [0,0,1,0,0,1|2,0,0]=4 91 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 2921-3-03 [0,0,1,0,0,1|2,0,0]=4 92 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 2921-9-X0 [0,0,1,0,0,1|2,0,0]=4 93 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 2921-5-X0 [0,0,1,0,0,1|2,0,0]=4 94 B12R2.32 O=CC1=CC2=CC=CC=C2N1 4H15-1-X6 [1,0,0,0,0,1|1,0,0]=3 95 B12R2.32 O=CC1=CC2=CC=CC=C2O1 2H15-1-07 [1,0,0,0,0,1|2,0,0]=4 96 B12R2.32 O=CC1=CC2=CC=CC=C2S1 6H15-1-X6 [1,0,0,0,0,1|2,0,0]=4 97 B12R2.32 O=CC1=CC2=CC=CN=C2S1 8H70-1-W2 [1,0,0,0,0,1|2,0,0]=4 98 B12R2.32 O=CC1=NC2=CC=CC=C2N1 4H15-1-X1 [1,0,0,0,0,1|2,0,0]=4 99 B12R2.32 OCC1=CC2=CC=CC=C2N1 4H56-1-483 [1,0,0,0,0,1|1,0,1]=4 100 B12R2.44 O=CC1=CC=C2C=CNC2=C1 4H15-1-16 [1,0,0,0,0,1|2,0,0]=4 101 B12R2.44 O=CC1=CC=C2NC=CC2=C1 4H15-1-10 [1,0,0,0,0,1|2,0,0]=4 102 B12R2.44 O=CC1=CC=C2OC=CC2=C1 2H15-1-X4 [1,0,0,0,0,1|1,1,0]=4 103 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 2621-1-97 [0,0,0,0,0,2|2,0,0]=4 104 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 4H21-1-70 [0,0,0,0,0,2|1,0,1]=4 105 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 4H21-1-XB [0,0,0,0,0,2|1,0,1]=4 106 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 2H21-1-Y9 [0,0,0,0,0,2|2,0,0]=4 107 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 4H21-1-Z4 [0,0,0,0,0,2|2,0,0]=4 108 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 4H21-1-D1 [0,0,0,0,0,2|2,0,0]=4 109 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 4H56-1-2J [0,0,0,0,0,2|2,0,0]=4 110 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 P612-A-90 [0,0,0,0,0,2|2,0,0]=4 111 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 4H21-1-V2 [0,0,0,0,0,2|2,0,0]=4 112 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 4H21-1-E9 [0,0,0,0,0,2|1,0,1]=4 113 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 4H21-1-XC [0,0,0,0,0,2|1,0,1]=4 114 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 4H56-1-4C [0,0,0,0,0,2|1,0,1]=4 115 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 4H56-1-2G [0,0,0,0,0,2|1,0,1]=4 116 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 4H21-1-G5 [0,0,0,0,0,2|1,0,1]=4 117 B14R2.768 O=C([O-])CC1=CC2=CC=CC=C2N1 4H22-1-X0 [0,0,0,0,0,2|1,0,1]=4