0 B12R2.252 NC(=O)C1=CC2=C(C=CS2)N1 O29349 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 O30497 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.252 O=C(O)C1=CC2=C(N=CS2)N1 O33267 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.35 NC(CC1=CSC=C1)C(=O)O O27897 [0,0,1,0,0,0|2,0,1]=4 4 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O O28616 [0,0,1,0,0,0|0,1,2]=4 5 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O O28900 [0,0,1,0,0,0|2,0,1]=4 6 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O O28615 [0,0,1,0,0,0|0,1,2]=4 7 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O O28680 [0,0,1,0,0,0|0,0,2]=3 8 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O O28617 [0,0,1,0,0,0|2,0,1]=4 9 B11R1.35 O=C(O)[C@H](O)CC1=CC=CS1 P35098 [0,0,1,0,0,0|1,0,2]=4 10 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=C2 M15571 [0,0,0,0,0,1|3,0,0]=4 11 B13R2.430 CC(=O)C1=CC2=C(C=CN2)C=C1 O34263 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.430 CC(=O)C1=CN=C2NC=CC2=C1 C-2320 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.430 CC(=O)C1=CN=C2OC=CC2=C1 O29502 [0,0,0,0,0,1|2,1,0]=4 14 B13R2.430 NC(=O)C1=CC2=C(C=C1)NC=C2 M15524 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 NC(=O)C1=CC2=C(N=C1)SC=C2 Q54201 [0,0,0,0,0,1|2,0,0]=3 16 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 A-867 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=N1 L14513 [0,0,0,0,0,1|1,0,1]=3 18 B13R2.430 O=C(O)C1=CC2=C(C=CN2)N=C1 L13224 [0,0,0,0,0,1|1,0,1]=3 19 B13R2.430 O=C(O)C1=CC2=C(C=N1)NC=C2 M15012 [0,0,0,0,0,1|2,0,0]=3 20 B13R2.430 O=C(O)C1=CC2=C(C=N1)NN=C2 G-6189 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 A-644 [0,0,0,0,0,1|1,1,0]=3 22 B13R2.430 O=C(O)C1=CC2=C(N=C1)SC=C2 L21705 [0,0,0,0,0,1|1,0,0]=2 23 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 G-6971 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 C-2330 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 C-3280 [0,0,0,0,0,1|2,0,1]=4 26 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 O30618 [0,0,0,0,0,1|1,1,0]=3 27 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 C-2016 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 M15519 [0,0,0,0,0,1|2,1,0]=4 29 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 G-6069 [0,0,0,0,0,1|1,0,1]=3 30 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 C-2008 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.430 O=C(O)C1=CC=C2NN=CC2=N1 G-6192 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.430 O=C(O)C1=CC=C2OC=CC2=N1 Q64340 [0,0,0,0,0,1|0,1,1]=3 33 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 O30694 [0,0,0,0,0,1|2,1,0]=4 34 B13R2.430 O=C(O)C1=CC=C2SC=CC2=N1 Q60741 [0,0,0,0,0,1|0,0,1]=2 35 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 C-3741 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 M15749 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.430 O=C(O)C1=CN2N=CC=C2N=C1 A-811 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.430 O=C(O)C1=CN=C2C=CNC2=N1 P46597 [0,0,0,0,0,1|2,0,1]=4 39 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 Q64346 [0,0,0,0,0,1|0,1,1]=3 40 B13R2.430 O=C(O)C1=CN=C2C=NNC2=C1 I-9507 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 C-2487 [0,0,0,0,0,1|2,0,0]=3 42 B13R2.430 O=C(O)C1=CN=C2NC=CC2=N1 P46724 [0,0,0,0,0,1|1,0,1]=3 43 B13R2.430 O=C(O)C1=CN=C2NC=NC2=C1 Q51894 [0,0,0,0,0,1|2,0,1]=4 44 B13R2.430 O=C(O)C1=CN=C2NN=CC2=C1 C-2489 [0,0,0,0,0,1|3,0,0]=4 45 B13R2.430 O=C(O)C1=NC=C2C=CNC2=N1 G-5436 [0,0,0,0,0,1|2,0,1]=4 46 B13R2.430 O=C(O)C1=NC=C2C=NNC2=C1 L13296 [0,0,0,0,0,1|2,0,1]=4 47 B13R2.430 O=C(O)C1=NN2C=CN=C2C=C1 C-2297 [0,0,0,0,0,1|2,0,1]=4 48 B13R2.430 O=[N+]([O-])C1=CC=C2SC=CC2=C1 O30473 [0,0,0,0,0,1|2,0,1]=4 49 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 P38123 [0,0,0,0,0,1|2,0,0]=3 50 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 L14101 [0,0,0,0,0,1|2,0,0]=3 51 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 P37809 [0,0,0,0,0,1|3,0,0]=4 52 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 O34406 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 L19588 [0,0,0,0,0,1|2,0,0]=3 54 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 Q60621 [0,0,0,0,0,1|2,0,0]=3 55 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 O30024 [0,0,0,0,0,1|2,0,0]=3 56 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 H-8587 [0,0,0,0,0,1|2,0,0]=3 57 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 O29920 [0,0,0,0,0,1|2,0,0]=3 58 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P44873 [0,0,0,0,0,1|1,0,0]=2 59 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 Q60865 [0,0,0,0,0,1|2,0,0]=3 60 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 H-8283 [0,0,0,0,0,1|2,0,0]=3 61 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 C-2486 [0,0,0,0,0,1|1,0,0]=2 62 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 I-9857 [0,0,0,0,0,1|2,0,0]=3 63 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 H-8552 [0,0,0,0,0,1|1,0,0]=2 64 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 P44495 [0,0,0,0,0,1|1,0,0]=2 65 B13R2.435 O=C(O)C1=CC2=CN=CN=C2S1 O29558 [0,0,0,0,0,1|3,0,0]=4 66 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 O30350 [0,0,0,0,0,1|1,0,0]=2 67 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 G-5384 [0,0,0,0,0,1|2,0,0]=3 68 B13R2.435 O=C(O)C1=CC2=NC=CN=C2N1 P49982 [0,0,0,0,0,1|1,0,0]=2 69 B13R2.435 O=C(O)C1=CC2=NC=NC=C2N1 Q56450 [0,0,0,0,0,1|1,0,0]=2 70 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 P36836 [0,0,0,0,0,1|2,0,1]=4 71 B13R2.435 O=C(O)C1=CN2C=NC=CC2=N1 Q60565 [0,0,0,0,0,1|2,0,1]=4 72 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 O31915 [0,0,0,0,0,1|2,0,1]=4 73 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)S1 P43167 [0,0,0,0,0,1|2,0,1]=4 74 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 M15185 [0,0,0,0,0,1|2,0,0]=3 75 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 Q63488 [0,0,0,0,0,1|2,0,0]=3 76 B13R2.435 O=C(O)C1=NC2=NC=CC=C2S1 P43191 [0,0,0,0,0,1|2,0,1]=4 77 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 O34079 [0,0,0,0,0,1|2,0,1]=4 78 B13R2.435 O=C(O)C1CC2=C(N=CC=C2)N1 Q52870 [0,0,0,0,0,1|1,0,2]=4 79 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 Q62630 [0,0,0,0,0,1|1,0,2]=4 80 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 P34766 [0,0,0,0,0,1|1,0,2]=4 81 B13R2.435 OB(O)C1=CC2=CC=CN=C2N1 L14409 [0,0,0,0,0,1|2,0,1]=4 82 B13R2.435 OB(O)C1=CC2=CC=CN=C2N1 P44100 [0,0,0,0,0,1|2,0,1]=4 83 B10R1.66 O=C(O)CCC1=CSC=C1 P40765 [1,0,1,0,0,0|1,0,1]=4 84 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P45498 [1,0,1,0,0,0|0,1,0]=3 85 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 G-5617 [1,0,1,0,0,0|1,0,1]=4 86 B10R1.31 O=CC1=CC=C(C(=O)O)S1 O31938 [1,0,1,0,0,0|1,1,0]=4 87 B12R1.104 NC(CC1=CC=C(Br)S1)C(=O)O P37150 [0,1,1,0,0,0|0,0,2]=4 88 B12R1.104 NC(CC1=CC=C(Cl)S1)C(=O)O O28665 [0,1,1,0,0,0|0,0,2]=4 89 B12R1.104 N[C@@H](CC1=CC(Br)=CS1)C(=O)O O28746 [0,1,1,0,0,0|0,0,2]=4 90 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O O28860 [0,1,1,0,0,0|0,0,2]=4 91 B12R1.104 N[C@@H](CC1=CC=C(Cl)S1)C(=O)O O28487 [0,1,1,0,0,0|0,0,2]=4 92 B12R1.104 N[C@H](CC1=CC=C(Br)S1)C(=O)O O28780 [0,1,1,0,0,0|0,0,2]=4 93 B12R1.145 CC1=C(CC(N)C(=O)O)SC=C1 O28664 [0,1,1,0,0,0|0,0,2]=4 94 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=C1 O28484 [0,1,1,0,0,0|0,0,2]=4 95 B12R1.298 N#C\C(=C/C1=CN=CS1)C(=O)O K12224 [0,1,1,0,0,0|1,0,1]=4 96 B12R1.298 N#C\C(=C/C1=NC=CS1)C(=O)O K12221 [0,1,1,0,0,0|1,0,1]=4 97 B14R2.601 CC1=CC2=C(C=C(C(=O)O)C=N2)N1 P44292 [0,1,0,0,0,1|1,0,1]=4 98 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)N1 Q69888 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.601 CC1=CC2=CC(C(=O)O)=CN=C2N1 P48223 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.601 CC1=CC2=CC=C(C(=O)O)C=C2N1 M15016 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.601 CC1=CC2=NC(C(=O)O)=CC=C2N1 P49543 [0,1,0,0,0,1|1,0,1]=4 102 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2S1 O34466 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.601 O=C(O)C1=CC2=C(C=C1)C=C(Br)N2 P43391 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.601 O=C(O)C1=CN=C2NC(I)=CC2=C1 P47492 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.624 CC1=C(C(=O)O)C=C2C=CNC2=N1 P45012 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.624 CC1=CC2=C(C=CN2)C=C1C(=O)O O32109 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.624 NC1=CC2=C(C=C1C(=O)O)NC=C2 Q55349 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.624 O=C(O)C1=C(Cl)C=C2C=CNC2=C1 L13154 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.624 O=C(O)C1=C(F)C=C2NC=CC2=C1 Q60779 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.624 O=C(O)C1=C(F)N=C2NC=CC2=C1 P49038 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.624 O=C(O)C1=CC2=C(C=CN2)C=C1Br Q55381 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.624 O=C(O)C1=CC2=C(C=CN2)C=C1F Q55378 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.624 O=C(O)C1=CC2=C(NC=C2)NC1=O M24083 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.624 O=C(O)C1=NC2=C(C=C1Cl)NC=C2 P45010 [0,1,0,0,0,1|1,0,1]=4 115 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CS2 A-867-1 [0,1,0,0,0,1|2,0,0]=4 116 B14R2.966 COC(=O)C1=CC2=C(C=N1)NC=C2 G-6495 [0,1,0,0,0,1|2,0,0]=4 117 B14R2.966 COC(=O)C1=CC2=C(N=C1)SC=C2 Q54200 [0,1,0,0,0,1|1,0,0]=3 118 B14R2.966 COC(=O)C1=CC=C2C=COC2=C1 O31362 [0,1,0,0,0,1|1,1,0]=4 119 B14R2.966 COC(=O)C1=CC=C2C=CSC2=N1 Q63318 [0,1,0,0,0,1|2,0,0]=4 120 B14R2.966 COC(=O)C1=CC=C2NC=CC2=C1 C-3317 [0,1,0,0,0,1|2,0,0]=4 121 B14R2.966 COC(=O)C1=CC=C2SC=CC2=N1 Q63322 [0,1,0,0,0,1|0,0,1]=3 122 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 C-2942 [0,1,0,0,0,1|1,0,1]=4 123 B14R2.966 COC(=O)C1=CN=C2C=CSC2=C1 Q63319 [0,1,0,0,0,1|0,0,1]=3 124 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 C-2264 [0,1,0,0,0,1|2,0,0]=4 125 B14R2.966 COC(=O)C1=CN=C2NC=CC2=N1 I-9374 [0,1,0,0,0,1|1,0,1]=4 126 B14R2.966 COC(=O)C1=CN=C2OC=CC2=C1 Q55627 [0,1,0,0,0,1|1,1,0]=4 127 B14R2.966 COC(=O)C1=NC2=C(C=C1)NC=C2 P44447 [0,1,0,0,0,1|1,0,1]=4 128 B14R2.966 COC(=O)C1=NC=C2C=CNC2=C1 C-3352 [0,1,0,0,0,1|1,0,1]=4 129 B14R2.966 COC(=O)C1=NC=C2C=CSC2=C1 Q63316 [0,1,0,0,0,1|0,0,1]=3 130 B14R2.966 COC(=O)C1=NC=C2C=CSC2=N1 Q63317 [0,1,0,0,0,1|1,0,1]=4 131 B14R2.966 COC(=O)C1=NC=C2SC=CC2=C1 Q63320 [0,1,0,0,0,1|1,0,0]=3 132 B14R2.966 COC(=O)C1=NC=C2SC=CC2=N1 Q63321 [0,1,0,0,0,1|0,0,1]=3 133 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=C2 O31101 [0,1,0,0,0,1|2,0,0]=4 134 B14R2.5719 CN1C=CC2=C1N=CC(C(=O)O)=C2 G-7553 [0,1,0,0,0,1|2,0,0]=4 135 B14R2.5719 O=C(O)C1=CC2=C(C=C1)C(I)=CN2 Q55422 [0,1,0,0,0,1|2,0,0]=4 136 B14R2.5719 O=C(O)C1=CC2=C(N=C1)C(Cl)=CN2 P44293 [0,1,0,0,0,1|1,0,1]=4 137 B14R2.5719 O=C(O)C1=CN=C2C(Br)=CNC2=C1 P49448 [0,1,0,0,0,1|1,0,1]=4 138 B14R2.5998 CC1=C(C(=O)O)N=CC2=C1C=CN2 P43925 [0,1,0,0,0,1|2,0,0]=4 139 B14R2.5998 CC1=C2C=CNC2=NC=C1C(=O)O P49546 [0,1,0,0,0,1|2,0,0]=4 140 B14R2.5998 O=C(O)C1=C(Cl)C2=C(C=CN2)C=C1 Q54975 [0,1,0,0,0,1|2,0,0]=4 141 B14R2.5998 O=C(O)C1=C(F)C2=C(C=CN2)C=C1 P51682 [0,1,0,0,0,1|2,0,0]=4 142 B14R2.5998 O=C(O)C1=CC=C2NC=CC2=C1Cl Q60918 [0,1,0,0,0,1|2,0,0]=4 143 B14R2.5998 O=C(O)C1=CC=C2NC=CC2=C1F M15052 [0,1,0,0,0,1|2,0,0]=4 144 B14R2.5998 O=C(O)C1=CN=C2C=CSC2=C1Cl L14142 [0,1,0,0,0,1|0,0,1]=3 145 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1Cl G-5639 [0,1,0,0,0,1|2,0,0]=4 146 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1F L21480 [0,1,0,0,0,1|2,0,0]=4 147 B14R2.8824 CC1=CC(C(=O)O)=CC2=C1C=CN2 O32884 [0,1,0,0,0,1|2,0,0]=4 148 B14R2.8824 CC1=CC(C(=O)O)=CC2=C1NC=C2 O33376 [0,1,0,0,0,1|2,0,0]=4 149 B14R2.8824 NC1=CC(C(=O)O)=CC2=C1C=CN2 Q55274 [0,1,0,0,0,1|2,0,0]=4 150 B14R2.8824 O=C(O)C1=CC(Br)=C2OC=CC2=N1 P50055 [0,1,0,0,0,1|0,1,1]=4 151 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(Br)=C1 M15059 [0,1,0,0,0,1|2,0,0]=4 152 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(Cl)=C1 L13073 [0,1,0,0,0,1|2,0,0]=4 153 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(F)=C1 M15265 [0,1,0,0,0,1|2,0,0]=4 154 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(I)=C1 Q55409 [0,1,0,0,0,1|2,0,0]=4 155 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(O)=C1 Q55276 [0,1,0,0,0,1|2,0,0]=4 156 B14R2.8824 O=C(O)C1=CC2=C(NC=C2)C(Br)=C1 Q55006 [0,1,0,0,0,1|2,0,0]=4 157 B14R2.8824 O=C(O)C1=CC2=C(OC=C2)C(Br)=C1 O33188 [0,1,0,0,0,1|1,1,0]=4 158 B14R2.8824 O=C(O)C1=CC2=C(OC=C2)C(Cl)=N1 O33137 [0,1,0,0,0,1|1,1,0]=4 159 B14R2.8824 O=C(O)C1=NC(Cl)=C2C=CSC2=N1 G-7860 [0,1,0,0,0,1|1,0,1]=4 160 B14R2.24358 CC1=CNC2=C1C=C(C(=O)O)C=C2 O30169 [0,1,0,0,0,1|2,0,0]=4 161 B14R2.24358 CC1=CNC2=NC=C(C(=O)O)C=C12 P43953 [0,1,0,0,0,1|2,0,0]=4 162 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 O31174 [0,1,0,0,0,1|2,0,0]=4 163 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=N2 P48097 [0,1,0,0,0,1|1,0,1]=4 164 B14R2.24358 O=C(O)C1=CC=C2NC=C(Br)C2=N1 P49541 [0,1,0,0,0,1|1,0,1]=4 165 B14R2.24358 O=C(O)C1=CC=C2OC=C(Br)C2=N1 Q64357 [0,1,0,0,0,1|0,1,1]=4 166 B14R2.24358 O=C(O)C1=CN=C2NC=C(Br)C2=C1 P44144 [0,1,0,0,0,1|2,0,0]=4 167 B14R2.24358 O=C(O)C1=CN=C2NC=C(Br)C2=N1 P46041 [0,1,0,0,0,1|1,0,1]=4 168 B14R2.24358 O=C(O)C1=CN=C2NC=C(I)C2=C1 P44431 [0,1,0,0,0,1|2,0,0]=4 169 B14R2.24358 O=C(O)C1=NC=C2NC=C(Br)C2=C1 P47185 [0,1,0,0,0,1|2,0,0]=4 170 B14R2.450 CC(=O)C1=CC2=CC=CC=C2N1C Q52464 [0,1,0,0,0,1|2,0,0]=4 171 B14R2.450 CC1=C(C(=O)O)NC2=NC=CC=C21 P49396 [0,1,0,0,0,1|1,0,0]=3 172 B14R2.450 CC1=C(C(=O)O)OC2=CC=CN=C21 Q64339 [0,1,0,0,0,1|2,0,0]=4 173 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 Q52556 [0,1,0,0,0,1|1,0,0]=3 174 B14R2.450 CN1C(C(=O)O)=CC2=CC=CN=C21 L14856 [0,1,0,0,0,1|1,0,0]=3 175 B14R2.450 CN1C(C(=O)O)=CC2=CN=CN=C21 Q51875 [0,1,0,0,0,1|2,0,0]=4 176 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=N2)N1 P47202 [0,1,0,0,0,1|1,0,0]=3 177 B14R2.450 O=C(O)C1=C(Br)C2=NC=CC=C2S1 Q63103 [0,1,0,0,0,1|2,0,0]=4 178 B14R2.450 O=C(O)C1=C(Cl)C2=C(N=CC=C2)N1 P49398 [0,1,0,0,0,1|1,0,0]=3 179 B14R2.450 O=C(O)C1=C(F)C2=CC=CN=C2N1 P49980 [0,1,0,0,0,1|1,0,0]=3 180 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 H-8284 [0,1,0,0,0,1|2,0,0]=4 181 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 C-2263 [0,1,0,0,0,1|1,0,0]=3 182 B14R2.972 COC(=O)C1=CC2=CC=NC=C2N1 P44266 [0,1,0,0,0,1|1,0,0]=3 183 B14R2.972 COC(=O)C1=CC2=CN=CC=C2N1 P44380 [0,1,0,0,0,1|1,0,0]=3 184 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 L21605 [0,1,0,0,0,1|1,0,0]=3 185 B14R2.972 COC(=O)C1=CC2=NC=CC=C2S1 Q52148 [0,1,0,0,0,1|2,0,0]=4 186 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 O34482 [0,1,0,0,0,1|2,0,0]=4 187 B14R2.972 COC(=O)C1=NC2=CC=CN=C2N1 Q63490 [0,1,0,0,0,1|2,0,0]=4 188 B14R2.4529 CC(=O)C1=CC2=CC(N)=CN=C2N1 H-8246 [0,1,0,0,0,1|2,0,0]=4 189 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M15083 [0,1,0,0,0,1|1,0,0]=3 190 B14R2.4529 CC1=CC2=C(N=C1)SC(C(=O)O)=C2 Q60905 [0,1,0,0,0,1|2,0,0]=4 191 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 M22856 [0,1,0,0,0,1|2,0,0]=4 192 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=C1 O31918 [0,1,0,0,0,1|2,0,0]=4 193 B14R2.4529 CC1=CC=C2NC(C(=O)O)=NC2=N1 S72629 [0,1,0,0,0,1|2,0,0]=4 194 B14R2.4529 CC1=CN=C2NC(C(=O)O)=CC2=C1 L14862 [0,1,0,0,0,1|1,0,0]=3 195 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)N2 I-9811 [0,1,0,0,0,1|1,0,0]=3 196 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)S2 Q60863 [0,1,0,0,0,1|2,0,0]=4 197 B14R2.4529 CC1=NC=C2NC(C(=O)O)=CC2=C1 P45158 [0,1,0,0,0,1|1,0,0]=3 198 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=N2 F-4573 [0,1,0,0,0,1|2,0,0]=4 199 B14R2.4529 NC1=CC=C2C=C(C(=O)O)NC2=N1 P47467 [0,1,0,0,0,1|1,0,0]=3 200 B14R2.4529 NC1=CC=C2OC(C(=O)O)=CC2=C1 10004 [0,1,0,0,0,1|2,0,0]=4 201 B14R2.4529 NC1=CN=C2NC(C(=O)O)=CC2=C1 L21466 [0,1,0,0,0,1|1,0,0]=3 202 B14R2.4529 NC1=NC=C2C=C(C(=O)O)NC2=N1 Q55093 [0,1,0,0,0,1|2,0,0]=4 203 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 P40692 [0,1,0,0,0,1|1,0,0]=3 204 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 O30055 [0,1,0,0,0,1|1,0,0]=3 205 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 I-9560 [0,1,0,0,0,1|1,0,0]=3 206 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 O32317 [0,1,0,0,0,1|1,0,0]=3 207 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 P39711 [0,1,0,0,0,1|1,0,0]=3 208 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 M15156 [0,1,0,0,0,1|1,0,0]=3 209 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Cl)=N2)N1 Q61502 [0,1,0,0,0,1|1,0,0]=3 210 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 C-2937 [0,1,0,0,0,1|1,0,0]=3 211 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 G-5524 [0,1,0,0,0,1|2,0,0]=4 212 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 C-2780 [0,1,0,0,0,1|1,0,0]=3 213 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 L14204 [0,1,0,0,0,1|2,0,0]=4 214 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 P44457 [0,1,0,0,0,1|1,0,0]=3 215 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 P44458 [0,1,0,0,0,1|1,0,0]=3 216 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 L14299 [0,1,0,0,0,1|1,0,0]=3 217 B14R2.4529 O=C(O)C1=CC2=CC(F)=NC=C2N1 P49205 [0,1,0,0,0,1|1,0,0]=3 218 B14R2.4529 O=C(O)C1=CC2=CC(O)=CN=C2N1 P49024 [0,1,0,0,0,1|1,0,0]=3 219 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2O1 M22855 [0,1,0,0,0,1|2,0,0]=4 220 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 I-9869 [0,1,0,0,0,1|2,0,0]=4 221 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 L13756 [0,1,0,0,0,1|1,0,0]=3 222 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2O1 Q63619 [0,1,0,0,0,1|2,0,0]=4 223 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)N=C2N1 H-8282 [0,1,0,0,0,1|2,0,0]=4 224 B14R2.4529 O=C(O)C1=CC2=NC(Br)=CC=C2N1 P44111 [0,1,0,0,0,1|1,0,0]=3 225 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 P44118 [0,1,0,0,0,1|1,0,0]=3 226 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 G-6274 [0,1,0,0,0,1|1,0,0]=3 227 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2S1 Q63616 [0,1,0,0,0,1|2,0,0]=4 228 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 G-6106 [0,1,0,0,0,1|1,0,0]=3 229 B14R2.4529 O=C(O)C1=CC2=NC=C(F)C=C2N1 P47721 [0,1,0,0,0,1|1,0,0]=3 230 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 10715 [0,1,0,0,0,1|2,0,0]=4 231 B14R2.4529 O=C(O)C1=NC2=C(N=C(Cl)C=C2)N1 Q55248 [0,1,0,0,0,1|2,0,0]=4 232 B14R2.4529 O=C(O)C1=NC2=CC(Br)=CN=C2N1 Q63491 [0,1,0,0,0,1|2,0,0]=4 233 B14R2.4529 O=C(O)C1=NC2=CC(F)=CN=C2N1 Q63493 [0,1,0,0,0,1|2,0,0]=4 234 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=NC=C1 P49837 [0,1,0,0,0,1|1,0,0]=3 235 B14R2.7969 NC1=C2C=C(C(=O)O)NC2=NC=C1 P47669 [0,1,0,0,0,1|1,0,0]=3 236 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 10613 [0,1,0,0,0,1|1,0,0]=3 237 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CN=C2N1 P49244 [0,1,0,0,0,1|1,0,0]=3 238 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 O32240 [0,1,0,0,0,1|1,0,0]=3 239 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2O)N1 Q60732 [0,1,0,0,0,1|1,0,0]=3 240 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 Q55257 [0,1,0,0,0,1|2,0,0]=4 241 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2Br)N1 P44125 [0,1,0,0,0,1|1,0,0]=3 242 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 C-2781 [0,1,0,0,0,1|1,0,0]=3 243 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2N1 P49352 [0,1,0,0,0,1|1,0,0]=3 244 B14R2.7969 O=C(O)C1=CC2=C(Cl)N=CC=C2N1 P49187 [0,1,0,0,0,1|1,0,0]=3 245 B14R2.7969 O=C(O)C1=CC2=C(Cl)N=CN=C2N1 C-2378 [0,1,0,0,0,1|2,0,0]=4 246 B14R2.7969 O=C(O)C1=CC2=C(F)C=CN=C2N1 P49981 [0,1,0,0,0,1|1,0,0]=3 247 B14R2.7969 O=C(O)C1=CC2=C(F)C=NC=C2N1 P47203 [0,1,0,0,0,1|1,0,0]=3 248 B14R2.7969 O=C(O)C1=CC2=C(F)N=CC=C2N1 P50412 [0,1,0,0,0,1|1,0,0]=3 249 B14R2.7969 O=C(O)C1=CC2=C(F)N=CN=C2N1 Q51876 [0,1,0,0,0,1|2,0,0]=4 250 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=N2 Q61501 [0,1,0,0,0,1|1,0,0]=3 251 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Br)N1 Q61475 [0,1,0,0,0,1|2,0,0]=4 252 B14R2.7969 O=C(O)C1=CC2=C(O)C=CN=C2N1 P49395 [0,1,0,0,0,1|1,0,0]=3 253 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 L14875 [0,1,0,0,0,1|2,0,0]=4 254 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 P37481 [0,1,0,0,0,1|2,0,0]=4 255 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2N1 L21643 [0,1,0,0,0,1|1,0,0]=3 256 B14R2.7969 O=C(O)C1=CC2=CC=NC(F)=C2N1 P50408 [0,1,0,0,0,1|1,0,0]=3 257 B14R2.7969 O=C(O)C1=CC2=CN=CC(Br)=C2N1 P50053 [0,1,0,0,0,1|1,0,0]=3 258 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2N1 P49348 [0,1,0,0,0,1|1,0,0]=3 259 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 O33474 [0,1,0,0,0,1|2,0,0]=4 260 B14R2.7969 O=C(O)C1=NC2=C(Cl)C=CN=C2N1 O33090 [0,1,0,0,0,1|2,0,0]=4 261 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=N2 P44049 [0,2,0,0,0,0|2,0,0]=4 262 B14R2.839 CCOC(=O)C1=CC2=C(N=CS2)N1 O33293 [0,2,0,0,0,0|1,0,0]=3 263 B12R2.1362 O=C(O)C1=NC=C2SC=CN21 P45857 [0,0,1,1,0,0|1,0,1]=4 264 B10R1.23 NC(C(=O)O)C1=CC=CO1 P40590 [0,0,1,0,1,0|0,1,1]=4 265 B10R1.23 NC(C(=O)O)C1=CC=CS1 O28791 [0,0,1,0,1,0|0,0,1]=3 266 B10R1.23 NC(C(=O)O)C1=CSC=C1 P38413 [0,0,1,0,1,0|1,0,1]=4 267 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 G-7084 [0,0,1,0,1,0|0,0,1]=3 268 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 P42365 [0,0,1,0,1,0|1,0,1]=4 269 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 P36827 [0,0,1,0,1,0|0,0,1]=3 270 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 P42364 [0,0,1,0,1,0|1,0,1]=4 271 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O P51664 [0,0,1,0,0,1|2,0,0]=4 272 B12R1.43 O=C(O)C(=O)NC1=CN=CC=C1 L18737 [0,0,1,0,0,1|2,0,0]=4 273 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 Q58319 [0,0,1,0,0,1|2,0,0]=4 274 B12R1.226 CC1=NC(\C=C\C(=O)O)=CC=C1 Q60610 [0,0,1,0,0,1|2,0,0]=4 275 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P50423 [0,0,1,0,0,1|2,0,0]=4 276 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 O29875 [1,0,0,0,0,1|1,0,0]=3 277 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 O32117 [1,0,0,0,0,1|2,0,0]=4 278 B12R2.32 O=CC1=CC2=C(C=CN=C2)S1 O29942 [1,0,0,0,0,1|2,0,0]=4 279 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 O29874 [1,0,0,0,0,1|1,0,0]=3 280 B12R2.32 O=CC1=CC2=C(C=NC=C2)S1 O31070 [1,0,0,0,0,1|2,0,0]=4 281 B12R2.32 O=CC1=CC2=C(N=CC=C2)O1 Q60455 [1,0,0,0,0,1|2,0,0]=4 282 B12R2.32 O=CC1=CC2=C(N=CN=C2)N1 H-8279 [1,0,0,0,0,1|2,0,0]=4 283 B12R2.32 O=CC1=CC2=CC=CN=C2N1 G-5306 [1,0,0,0,0,1|1,0,0]=3 284 B12R2.32 O=CC1=CC2=CC=NC=C2O1 Q60270 [1,0,0,0,0,1|2,0,0]=4 285 B12R2.32 O=CC1=CC2=NC=CC=C2N1 O31555 [1,0,0,0,0,1|1,0,0]=3 286 B12R2.32 O=CC1=CC2=NC=CC=C2O1 G-6947 [1,0,0,0,0,1|2,0,0]=4 287 B12R2.32 O=CC1=NC2=NC=NC=C2N1 Q60403 [1,0,0,0,0,1|2,0,0]=4 288 B12R2.32 OCC1=CC2=C(C=NC=C2)N1 O29797 [1,0,0,0,0,1|1,0,1]=4 289 B12R2.32 OCC1=CC2=CC=CN=C2N1 P44095 [1,0,0,0,0,1|1,0,1]=4 290 B12R2.32 OCC1=CC2=NC=CC=C2N1 O31451 [1,0,0,0,0,1|1,0,1]=4 291 B12R2.44 C(=O)C1=CN=C2C=COC2=C1 Q64348 [1,0,0,0,0,1|0,1,1]=4 292 B12R2.44 C(=O)C1=CN=C2NC=CC2=C1 C-2318 [1,0,0,0,0,1|2,0,0]=4 293 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 A-870 [1,0,0,0,0,1|2,0,0]=4 294 B12R2.44 O=CC1=CC2=C(C=CN2)N=C1 P44469 [1,0,0,0,0,1|1,0,1]=4 295 B12R2.44 O=CC1=CC2=C(C=N1)OC=C2 A-645 [1,0,0,0,0,1|1,1,0]=4 296 B12R2.44 O=CC1=NC=C2NC=CC2=C1 P44435 [1,0,0,0,0,1|2,0,0]=4 297 B12R2.44 OCC1=CC2=C(N=C1)SC=C2 Q54203 [1,0,0,0,0,1|1,0,1]=4 298 B12R2.44 OCC1=CC=C2SC=CC2=C1 I-9670 [1,0,0,0,0,1|1,0,1]=4 299 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 10629 [0,0,0,0,0,2|2,0,0]=4 300 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)C=C1 O30023 [0,0,0,0,0,2|2,0,0]=4 301 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 A-955 [0,0,0,0,0,2|1,0,1]=4 302 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 G-5323 [0,0,0,0,0,2|1,0,1]=4 303 B14R2.781 O=C(O)C1=CC2=NC=NC=C2C=C1 G-6728 [0,0,0,0,0,2|2,0,0]=4 304 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 O30563 [0,0,0,0,0,2|2,0,0]=4 305 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 I-9862 [0,0,0,0,0,2|2,0,0]=4 306 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=N1 K12242 [0,0,0,0,0,2|1,0,1]=4 307 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 C-2230 [0,0,0,0,0,2|2,0,0]=4 308 B14R2.781 O=C(O)C1=NC2=C(C=C1)N=CC=N2 L19328 [0,0,0,0,0,2|1,0,1]=4 309 B14R2.781 O=C(O)C1=NC2=CC=CN=C2N=C1 O30301 [0,0,0,0,0,2|1,0,1]=4 310 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 O34254 [0,0,0,0,0,2|1,0,1]=4 311 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 L13540 [0,0,0,0,0,2|1,0,1]=4 312 B14R2.781 O=C(O)C1=NC=C2N=CC=CC2=C1 P43449 [0,0,0,0,0,2|1,0,1]=4 313 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)NC=C2 Q52657 [0,0,0,0,0,2|2,0,0]=4 314 B14R2.1008 O=C(O)CC1=CN=C2NC=CC2=C1 P44451 [0,0,0,0,0,2|2,0,0]=4 315 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 P37021 [0,0,0,0,0,2|2,0,0]=4 316 B14R2.768 O=C(O)CC1=CC2=CC=NC=C2O1 Q60714 [0,0,0,0,0,2|2,0,0]=4