0 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 4H21-1-36 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 6H21-1-Y6 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 4H21-1-Z7 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.252 O=C(O)C1=CN2OC=CC2=N1 4H21-1-7D [0,0,0,0,0,0|2,1,1]=4 4 B12R2.252 OB(O)C1=CC2=C(C=CS2)S1 6H60-1-2N [0,0,0,0,0,0|3,0,1]=4 5 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 8H23-1-00 [0,1,0,0,0,0|1,0,0]=2 6 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 6H23-1-08 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.531 COC(=O)C1=CC2=C(N1)OC=C2 4H58-1-ZP [0,1,0,0,0,0|2,0,0]=3 8 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)N1 8H66-1-3R [0,1,0,0,0,0|2,0,0]=3 9 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)S1 8H56-1-15 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 4H21-1-5A [0,1,0,0,0,0|1,1,0]=3 11 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 8H21-1-25 [0,1,0,0,0,0|1,0,0]=2 12 B13R2.2334 O=C(O)C1=C(Cl)C2=C(SC=C2)S1 6H21-5-03 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O 8H57-1-12 [0,0,1,0,0,0|1,0,2]=4 14 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O 8H57-1-17 [0,0,1,0,0,0|2,0,1]=4 15 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O 8H57-1-13 [0,0,1,0,0,0|1,0,2]=4 16 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O 8H57-1-18 [0,0,1,0,0,0|2,0,1]=4 17 B11R1.48 CC1=C(C#N)C=C(C(=O)O)N1 4H56-1-KF [0,0,1,0,0,0|3,0,0]=4 18 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 6H21-1-26 [0,0,1,0,0,0|2,0,0]=3 19 B11R1.90 CN1N=CC=C1\C=C\C(=O)O 4H21-1-NA [0,0,1,0,0,0|3,0,0]=4 20 B11R1.90 O=C(O)\C=C\C1=C(Cl)C=CS1 6H21-5-06 [0,0,1,0,0,0|2,0,0]=3 21 B13R2.430 CC(=O)C1=CC=C2SC=NC2=C1 8H70-1-3S [0,0,0,0,0,1|2,0,0]=3 22 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 4H58-1-Q5 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 4H21-5-0U [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 4H58-1-F0 [0,0,0,0,0,1|1,0,2]=4 25 B13R2.430 O=C(O)C1=CC=C2C=CSC2=C1 6H21-1-0C [0,0,0,0,0,1|2,0,0]=3 26 B13R2.430 O=C(O)C1=CC=C2N=CNC2=N1 4H21-1-HM [0,0,0,0,0,1|1,0,2]=4 27 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 4H21-1-3V [0,0,0,0,0,1|2,0,0]=3 28 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 4H21-1-KF [0,0,0,0,0,1|1,1,0]=3 29 B13R2.430 O=C(O)C1=CC=C2SC=CC2=C1 6H21-1-0A [0,0,0,0,0,1|2,0,0]=3 30 B13R2.430 O=C(O)C1=CN2C=CN=C2C=N1 4H56-1-GU [0,0,0,0,0,1|2,0,1]=4 31 B13R2.430 O=C(O)C1=CN2N=CC=C2N=C1 4H58-1-K6 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.430 O=C(O)C1=CN2N=CN=C2C=C1 4H58-1-H3 [0,0,0,0,0,1|3,0,0]=4 33 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 4H21-1-2Z [0,0,0,0,0,1|1,1,1]=4 34 B13R2.430 O=C(O)C1=CN=C2NC=NC2=C1 4H21-1-18 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.430 O=[N+]([O-])C1=CC=C2N=CSC2=C1 8H54-1-29 [0,0,0,0,0,1|2,0,1]=4 36 B13R2.430 O=[N+]([O-])C1=CC=C2SC=NC2=C1 8H70-1-96 [0,0,0,0,0,1|2,0,1]=4 37 B13R2.430 OB(O)C1=CC=C2N=CSC2=C1 8H70-1-L9 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.435 NC(=O)C1=CC2=CC=CN=C2S1 8H66-1-59 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2N1 4H16-5-17 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.435 O=C(Cl)C1=CC2=CC=CN=C2S1 8H66-5-3L [0,0,0,0,0,1|3,0,0]=4 41 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 2621-1-0U [0,0,0,0,0,1|3,0,0]=4 42 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 4H21-1-BJ [0,0,0,0,0,1|1,0,0]=2 43 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 4H56-1-2W [0,0,0,0,0,1|1,0,0]=2 44 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 8H21-1-0L [0,0,0,0,0,1|2,0,0]=3 45 B13R2.435 O=C(O)C1=CC2=CN=CN=C2N1 4H58-1-L2 [0,0,0,0,0,1|1,0,0]=2 46 B13R2.435 O=C(O)C1=NC2=CN=CC=C2S1 8H70-1-3Z [0,0,0,0,0,1|2,0,1]=4 47 B13R2.435 O=C(O)C1=NC2=NC=CC=C2S1 8H70-1-4R [0,0,0,0,0,1|2,0,1]=4 48 B10R1.66 CC(=O)\C=C\C1=CC=CS1 6H17-1-24 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.66 NC(=O)\C=C\C1=CC=CS1 8H48-1-16 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.66 O=C(O)\C=C/C1=CSC=C1 6H21-1-Y3 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.66 O=C(O)\C=C\C1=CC=CN1 4H56-1-KN [1,0,1,0,0,0|2,0,0]=4 52 B10R1.66 O=C(O)\C=C\C1=CNC=N1 4H21-1-0K [1,0,1,0,0,0|1,0,1]=4 53 B10R1.66 O=C(O)\C=C\C1=COC=C1 2H21-1-38 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.31 N#CC1=CC=C(C(=O)O)N1 4H37-1-0F [1,0,1,0,0,0|1,0,1]=4 55 B10R1.31 N#CC1=CNC(C(=O)O)=C1 4H37-1-21 [1,0,1,0,0,0|0,0,2]=4 56 B10R1.31 O=CC1=CC=C(C(=O)O)N1 4H21-1-LH [1,0,1,0,0,0|0,1,0]=3 57 B10R1.31 O=CC1=CC=C(C(=O)O)O1 2H21-1-0C [1,0,1,0,0,0|1,1,0]=4 58 B10R1.31 O=CC1=CNC(C(=O)O)=C1 4H58-1-PR [1,0,1,0,0,0|1,0,0]=3 59 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 4H58-5-6M [1,0,1,0,0,0|2,0,0]=4 60 B12R1.298 N#C\C(=C\C1=CC=CS1)C(=O)O 8H37-1-X2 [0,1,1,0,0,0|1,0,1]=4 61 B12R1.353 COC(=O)\C=C\C1=C(C)C=CS1 6H23-1-18 [0,1,1,0,0,0|2,0,0]=4 62 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2S1 8H21-1-0M [0,1,0,0,0,1|1,0,0]=3 63 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 4H21-1-0S [0,1,0,0,0,1|1,1,0]=4 64 B14R2.601 O=C(O)C1=CC=C2N=C(Br)SC2=C1 8H70-9-0F [0,1,0,0,0,1|1,0,0]=3 65 B14R2.601 O=C(O)C1=CC=C2N=C(Cl)SC2=C1 8H21-5-X0 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.601 O=C(O)C1=CC=C2N=C(O)SC2=C1 8H70-1-W4 [0,1,0,0,0,1|1,0,0]=3 67 B14R2.601 O=C(O)C1=CC=C2NC(S)=NC2=C1 8H61-1-15 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.624 NC1=C(C(=O)O)C=C2N=CNC2=C1 4H57-1-V8 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.624 O=C(O)C1=C(F)C=C2C=CSC2=C1 6H21-3-0E [0,1,0,0,0,1|2,0,0]=4 70 B14R2.966 COC(=O)C1=CC=C2N=COC2=C1 4H23-1-4E [0,1,0,0,0,1|1,1,0]=4 71 B14R2.966 COC(=O)C1=CN=C2N=CNC2=C1 4H23-1-07 [0,1,0,0,0,1|1,0,1]=4 72 B14R2.966 COC(=O)C1=NC=C2NC=NC2=C1 4H23-1-LF [0,1,0,0,0,1|2,0,0]=4 73 B14R2.5719 CN1C=NC2=CC(C(=O)O)=CC=C21 4H56-1-1P [0,1,0,0,0,1|2,0,0]=4 74 B14R2.5719 CN1C=NC2=CC(C(=O)O)=CN=C21 4H21-1-LY [0,1,0,0,0,1|2,0,0]=4 75 B14R2.5998 O=C(O)C1=CC=C2C=CSC2=C1F 6H21-3-0K [0,1,0,0,0,1|2,0,0]=4 76 B14R2.8824 O=C(O)C1=CC(F)=C2C=CSC2=C1 6H21-3-0B [0,1,0,0,0,1|2,0,0]=4 77 B14R2.24358 CN1C=NC2=CC=C(C(=O)O)C=C21 4H21-1-KJ [0,1,0,0,0,1|2,0,0]=4 78 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 4H21-1-1G [0,1,0,0,0,1|2,0,0]=4 79 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 8H57-1-19 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.450 NC1=C(C(=O)O)SC2=NC=CN=C21 8H57-1-24 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 4H21-5-0N [0,1,0,0,0,1|2,0,0]=4 82 B14R2.450 O=C(O)C1=C(I)C2=CC=CC=C2N1 4H21-H-0B [0,1,0,0,0,1|2,0,0]=4 83 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 4H23-1-73 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 4H58-1-D0 [0,1,0,0,0,1|1,0,0]=3 85 B14R2.972 COC(=O)C1=CC2=CC=CN=C2O1 4H56-1-Y6 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.972 COC(=O)C1=CC2=CC=CN=C2S1 8H66-1-7E [0,1,0,0,0,1|2,0,0]=4 87 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 4H23-1-X5 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 4H21-1-FY [0,1,0,0,0,1|2,0,0]=4 89 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 4H21-1-KN [0,1,0,0,0,1|2,0,0]=4 90 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 4H58-9-30 [0,1,0,0,0,1|1,0,0]=3 91 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 4H21-5-68 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 4H21-5-3E [0,1,0,0,0,1|2,0,0]=4 93 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 4H58-9-33 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 4H21-5-47 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.7969 CC1=C2NC(C(=O)O)=CC2=CC=C1 4H21-1-5N [0,1,0,0,0,1|2,0,0]=4 96 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 4H21-5-3R [0,1,0,0,0,1|2,0,0]=4 97 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 4H21-5-48 [0,1,0,0,0,1|1,0,0]=3 98 B14R2.7969 O=C(O)C1=CC2=C(Cl)N=CN=C2N1 4H21-5-46 [0,1,0,0,0,1|1,0,0]=3 99 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 4H21-9-0J [0,1,0,0,0,1|2,0,0]=4 100 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 4H21-5-3F [0,1,0,0,0,1|2,0,0]=4 101 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 4H21-3-5V [0,1,0,0,0,1|2,0,0]=4 102 B14R2.7969 O=C(O)C1=CC2=NC=NC(Cl)=C2S1 8H66-5-4A [0,1,0,0,0,1|2,0,0]=4 103 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 8H23-1-20 [0,2,0,0,0,0|1,0,0]=3 104 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)S1 6H23-1-0A [0,2,0,0,0,0|2,0,0]=4 105 B10R1.23 NC(C(=O)O)C1=CC=CS1 8H57-1-0A [0,0,1,0,1,0|1,0,1]=4 106 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 8H57-1-R0 [0,0,1,0,1,0|1,0,1]=4 107 B12R2.32 O=CC1=CC2=CC=CN=C2N1 4H56-1-829 [1,0,0,0,0,1|1,0,0]=3 108 B12R2.32 O=CC1=CC2=CC=NC=C2S1 8H15-1-0N [1,0,0,0,0,1|2,0,0]=4 109 B12R2.32 O=CC1=CC2=NC=CN=C2S1 8H15-1-07 [1,0,0,0,0,1|2,0,0]=4 110 B12R2.32 OCC1=CC2=CC=CN=C2N1 4H01-1-AY [1,0,0,0,0,1|1,0,1]=4 111 B12R2.44 O=CC1=CC=C2C=CSC2=C1 6H66-1-04 [1,0,0,0,0,1|2,0,0]=4 112 B12R2.44 O=CC1=CC=C2N=CSC2=C1 8H70-1-7L [1,0,0,0,0,1|1,0,0]=3 113 B12R2.44 O=CC1=CC=C2SC=CC2=C1 6H15-1-X0 [1,0,0,0,0,1|2,0,0]=4 114 B12R2.44 O=CC1=CC=C2SC=NC2=C1 8H15-1-0L [1,0,0,0,0,1|1,0,0]=3 115 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=N1 4H21-1-4S [0,0,0,0,0,2|1,0,1]=4 116 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 4H58-1-BK [0,0,0,0,0,2|1,0,1]=4 117 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 4H21-1-22 [0,0,0,0,0,2|2,0,0]=4 118 B14R2.781 O=C(O)C1=CC2=NC=CN=C2N=C1 4H21-1-7C [0,0,0,0,0,2|1,0,1]=4 119 B14R2.1008 O=C(O)CC1=CC=C2OC=NC2=C1 4H58-1-107 [0,0,0,0,0,2|1,1,0]=4 120 B14R2.1008 O=C(O)CC1=CC=C2SC=CC2=C1 6H66-1-74 [0,0,0,0,0,2|2,0,0]=4 121 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 4H56-1-8C [0,0,0,0,0,2|2,0,0]=4