0 B12R2.252 B(C1=CC2=C(S1)C=CS2)(O)O T405007 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.252 C1=CSC2=C1SC(=C2)C(=O)O T162471 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.252 C1C2=C(CS1)SC(=C2)C(=O)O D155813 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.252 C1CC2=C(C1)SC(=C2)C(=O)O D358318 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.531 COC(=O)C1=CC2=C(S1)C=CS2 M158284 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T135712 [0,0,1,0,0,0|2,0,1]=4 6 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T464847 [0,0,1,0,0,0|2,0,1]=4 7 B11R1.35 C1=CSC=C1CC(C(=O)O)N B301218 [0,0,1,0,0,0|0,0,2]=3 8 B13R2.430 C1=CC(=CC2=C1C=CN2)C(=O)O I124058 [0,0,0,0,0,1|2,0,0]=3 9 B13R2.430 C1=CC(=CC2=C1C=CO2)C(=O)O B177410 [0,0,0,0,0,1|1,1,0]=3 10 B13R2.430 C1=CC(=NC2=C1C=CN2)C(=O)O H178089 [0,0,0,0,0,1|1,0,1]=3 11 B13R2.430 C1=CC2=C(C=C1C(=O)O)C=NN2 H135034 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.430 C1=CC2=C(C=C1C(=O)O)N=CO2 B482323 [0,0,0,0,0,1|2,1,0]=4 13 B13R2.430 C1=CC2=C(C=C1C(=O)O)N=CS2 B186028 [0,0,0,0,0,1|2,0,0]=3 14 B13R2.430 C1=CC2=C(C=C1C(=O)O)NC=N2 B107472 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 C1=CC2=C(C=C1C(=O)O)OC=N2 B191124 [0,0,0,0,0,1|2,1,0]=4 16 B13R2.430 C1=CC2=C(C=C1C(=O)O)SC=N2 B138740 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.430 C1=CC2=C(C=CN2)C=C1C(=O)O I101996 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.430 C1=CNC2=C1N=CC(=C2)C(=O)O H165977 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.430 C1=CNC2=NC=C(C=C21)C(=O)O H136030 [0,0,0,0,0,1|1,0,1]=3 20 B13R2.430 CC(=O)C1=CN=C2C(=C1)C=CN2 H178424 [0,0,0,0,0,1|2,0,1]=4 21 B13R2.435 C1=CC2=NC(=CN2C=C1)C(=O)O I123222 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O I107987 [0,0,0,0,0,1|1,0,0]=2 23 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O B170589 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)Cl B133836 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O B152934 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.435 C1=CC=C2C(=C1)NC(=N2)C(=O)O H134909 [0,0,0,0,0,1|2,0,0]=3 27 B13R2.435 C1=CN2C=C(N=C2N=C1)C(=O)O I136989 [0,0,0,0,0,1|2,0,1]=4 28 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I103166 [0,0,0,0,0,1|1,0,2]=4 29 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I115487 [0,0,0,0,0,1|1,0,2]=4 30 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I119118 [0,0,0,0,0,1|1,0,2]=4 31 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 A346740 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 B167750 [0,0,0,0,0,1|3,0,0]=4 33 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 A119133 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 H195957 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.66 C1=C(NC=N1)C=CC(=O)O I165655 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.66 C1=C(NC=N1)C=CC(=O)O T162071 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.66 C1=COC(=C1)C=CC(=O)O F103094 [1,0,1,0,0,0|1,1,0]=4 38 B10R1.66 C1=COC=C1C=CC(=O)O T341153 [1,0,1,0,0,0|0,1,0]=3 39 B10R1.66 C1=CSC(=C1)C=CC(=O)O T124452 [1,0,1,0,0,0|1,0,0]=3 40 B10R1.66 C1=CSC(=C1)C=CC(=O)O T162810 [1,0,1,0,0,0|1,0,0]=3 41 B10R1.66 C1=CSC(=C1)CCC(=O)O T472520 [1,0,1,0,0,0|1,0,1]=4 42 B10R1.66 C1=CSC=C1C=CC(=O)O E171720 [1,0,1,0,0,0|0,0,0]=2 43 B10R1.31 C1=C(OC(=C1)C(=O)O)C=O F156654 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O F156760 [1,0,1,0,0,0|2,0,0]=4 45 B10R2.2 C1=CSC2=C1C=C(S2)Br B152935 [2,0,0,0,0,0|2,0,0]=4 46 B14R2.601 C1=CC2=C(C=C1C(=O)O)SC(=N2)Br B182963 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.601 C1=CC2=C(C=C1C(=O)O)SC(=N2)N A188429 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.601 CC1=NC2=C(S1)C=C(C=C2)C(=O)O M186078 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.601 CC1=NC2=C(S1)C=CC(=C2)C(=O)O M192293 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=CN2 I124845 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 M158570 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.966 COC(=O)C1=CC2=C(C=CN2)N=C1 M165424 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.966 COC(=O)C1=CN=C2C(=C1)C=CN2 H331532 [0,1,0,0,0,1|1,0,1]=4 54 B14R2.5719 CN1C=CC2=C1C=CC(=C2)C(=O)O M587823 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.5998 C1=CNC2=NC=C(C(=C21)Cl)C(=O)O C188281 [0,1,0,0,0,1|1,0,1]=4 56 B14R2.24358 C1=C(C=NC2=C1C(=CN2)I)C(=O)O I586281 [0,1,0,0,0,1|1,0,1]=4 57 B14R2.450 C1=CC2=C(N=C1)SC(=C2N)C(=O)O A479212 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.450 C1=CC=C2C(=C1)C(=C(N2)C(=O)O)Cl C405500 [0,1,0,0,0,1|1,0,0]=3 59 B14R2.450 C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Br B469034 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.450 C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl C121050 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)O M137129 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.450 CC1=C(SC2=CC=CC=C12)C(=O)O M101867 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.450 CN1C2=CC=CC=C2C=C1C(=O)O M131910 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.972 COC(=O)C1=CC2=C(N1)N=CC=C2 M170101 [0,1,0,0,0,1|1,0,0]=3 65 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 M124780 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.972 COC(=O)C1=CC2=CC=CC=C2O1 M181924 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 M168796 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.4529 C1=C2C=C(NC2=NC=C1Br)C(=O)O B166567 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.4529 C1=CC2=C(C=C1Br)C=C(N2)C(=O)O B123332 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.4529 C1=CC2=C(C=C1Br)NC(=C2)C(=O)O B152539 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.4529 C1=CC2=C(C=C1Br)NC(=N2)C(=O)O B589014 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.4529 C1=CC2=C(C=C1Cl)C=C(N2)C(=O)O C123333 [0,1,0,0,0,1|1,0,0]=3 73 B14R2.4529 C1=CC2=C(C=C1Cl)C=C(O2)C(=O)O C131843 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.4529 C1=CC2=C(C=C1F)C=C(N2)C(=O)O F123372 [0,1,0,0,0,1|1,0,0]=3 75 B14R2.4529 C1=CC2=C(C=C1F)NC(=C2)C(=O)O F176073 [0,1,0,0,0,1|1,0,0]=3 76 B14R2.4529 C1=CC2=C(C=C1F)SC(=C2)C(=O)O F356779 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.4529 C1=CC2=C(C=C1O)C=C(N2)C(=O)O H119318 [0,1,0,0,0,1|1,0,0]=3 78 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O M182288 [0,1,0,0,0,1|1,0,0]=3 79 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O M124813 [0,1,0,0,0,1|1,0,0]=3 80 B14R2.7969 C1=C(SC2=C1C(=NC=N2)Cl)C(=O)O C177758 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.7969 C1=CC2=C(C(=C1)Br)NC(=C2)C(=O)O B124787 [0,1,0,0,0,1|1,0,0]=3 82 B14R2.7969 C1=CC2=C(C(=C1)Cl)NC(=C2)C(=O)O C183450 [0,1,0,0,0,1|1,0,0]=3 83 B14R2.7969 C1=CC2=C(C=C(S2)C(=O)O)C(=C1)Br B184938 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.7969 C1=CC2=C(C=C(S2)C(=O)O)C(=C1)Cl C405516 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O M182287 [0,1,0,0,0,1|1,0,0]=3 86 B10R1.23 C1=CSC=C1C(C(=O)O)N S136294 [0,0,1,0,1,0|0,0,1]=3 87 B12R1.43 C1=CC=C(C=C1)NC(=O)C(=O)O A354609 [0,0,1,0,0,1|2,0,0]=4 88 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B152644 [0,0,1,0,0,1|2,0,0]=4 89 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O M102145 [0,0,1,0,0,1|2,0,0]=4 90 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Br B101936 [0,0,1,0,0,1|2,0,0]=4 91 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl C103595 [0,0,1,0,0,1|2,0,0]=4 92 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F F101930 [0,0,1,0,0,1|2,0,0]=4 93 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)O H113425 [0,0,1,0,0,1|2,0,0]=4 94 B12R1.125 CC1=CC=CC=C1C=CC(=O)O M158080 [0,0,1,0,0,1|2,0,0]=4 95 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O B101938 [0,0,1,0,0,1|2,0,0]=4 96 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O T162205 [0,0,1,0,0,1|2,0,0]=4 97 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C101735 [0,0,1,0,0,1|2,0,0]=4 98 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C485689 [0,0,1,0,0,1|2,0,0]=4 99 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O F156726 [0,0,1,0,0,1|2,0,0]=4 100 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O I168436 [0,0,1,0,0,1|2,0,0]=4 101 B12R1.226 C1=CC(=CC(=C1)N)C=CC(=O)O E405645 [0,0,1,0,0,1|1,0,0]=3 102 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O H100569 [0,0,1,0,0,1|2,0,0]=4 103 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O M158083 [0,0,1,0,0,1|2,0,0]=4 104 B12R2.32 C1=CC=C2C(=C1)C=C(N2)C=O I124840 [1,0,0,0,0,1|1,0,0]=3 105 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO I168983 [1,0,0,0,0,1|1,0,1]=4 106 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O B469207 [1,0,0,0,0,1|2,0,0]=4 107 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O B123079 [1,0,0,0,0,1|2,0,0]=4 108 B12R2.32 C1=CN=CC2=C1NC(=C2)C=O H194297 [1,0,0,0,0,1|1,0,0]=3 109 B12R2.44 C1=CC(=CC2=C1C=CN2)C=O I123428 [1,0,0,0,0,1|2,0,0]=4 110 B12R2.44 C1=CC(=NC2=C1C=CN2)C=O H178090 [1,0,0,0,0,1|1,0,1]=4 111 B12R2.44 C1=CC2=C(C=C1C=O)SC=N2 B191898 [1,0,0,0,0,1|2,0,0]=4 112 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O I115574 [1,0,0,0,0,1|2,0,0]=4 113 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O B189275 [1,0,0,0,0,1|1,1,0]=4 114 B12R2.44 C1=CNC2=C1N=CC(=C2)C=O H165472 [1,0,0,0,0,1|2,0,0]=4 115 B14R2.781 C1=CC(=NC2=C1C=NC=C2)C(=O)O N587951 [0,0,0,0,0,2|1,0,1]=4 116 B14R2.781 C1=CC2=C(C=C(C=C2)C(=O)O)N=C1 Q179305 [0,0,0,0,0,2|2,0,0]=4 117 B14R2.781 C1=CC2=C(C=C(C=N2)C(=O)O)N=C1 N187990 [0,0,0,0,0,2|1,0,1]=4 118 B14R2.781 C1=CC2=C(C=CC(=C2)C(=O)O)N=C1 Q160819 [0,0,0,0,0,2|2,0,0]=4 119 B14R2.781 C1=CC2=NC=CN=C2C=C1C(=O)O Q340452 [0,0,0,0,0,2|2,0,0]=4 120 B14R2.781 C1=CC=C2C(=C1)C=C(C=N2)C(=O)O Q103606 [0,0,0,0,0,2|1,0,1]=4 121 B14R2.781 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O Q110294 [0,0,0,0,0,2|1,0,1]=4 122 B14R2.781 C1=CC=C2C(=C1)N=CC(=N2)C(=O)O Q113505 [0,0,0,0,0,2|1,0,1]=4 123 B14R2.781 C1=CC=C2C=C(C=CC2=C1)C(=O)O N141331 [0,0,0,0,0,2|2,0,0]=4 124 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O I122685 [0,0,0,0,0,2|1,0,1]=4 125 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O I122686 [0,0,0,0,0,2|1,0,1]=4 126 B14R2.1008 C1=CC2=C(C=CN2)C=C1CC(=O)O H588794 [0,0,0,0,0,2|2,0,0]=4 127 B14R2.768 C1=CC=C2C(=C1)C=C(O2)CC(=O)O B194238 [0,0,0,0,0,2|2,0,0]=4