0 B10R1.66 CC(=O)CCC1=NC=CS1 L20139 [0,0,0,0,0,0|1,1,2]=4 1 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P45498 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.66 O=C(O)\C=C\C1=CNN=C1 Q60839 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 G-5617 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.12 CCNCC1=CC=CO1 P41212 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O O28616 [0,1,0,0,0,0|1,0,2]=4 6 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O O28615 [0,1,0,0,0,0|1,0,2]=4 7 B11R2.36 BrC1=CC=C2ON=CC2=C1 L14106 [0,0,0,1,0,0|2,0,1]=4 8 B11R2.36 BrC1=CN=C2OC=CC2=C1 O29996 [0,0,0,1,0,0|2,0,1]=4 9 B11R2.36 BrC1=NC2=C(C=C1)NC=C2 G-5417 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.36 CC1=CC2=C(C=C1)NN=C2 O34411 [0,0,0,1,0,0|3,0,0]=4 11 B11R2.36 CC1=CC2=C(C=CN2)C=C1 P43296 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.36 CC1=CC=C2NN=CC2=N1 O31284 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.36 CC1=CC=C2OC=CC2=C1 P40313 [0,0,0,1,0,0|1,0,0]=2 14 B11R2.36 CC1=CN=C2NC=CC2=C1 L14860 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.36 CC1=NC2=C(C=CN2)C=C1 M15046 [0,0,0,1,0,0|3,0,0]=4 16 B11R2.36 ClC1=CC=C2NC=CC2=N1 F-4097 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.36 ClC1=CC=C2OC=CC2=N1 O30945 [0,0,0,1,0,0|2,0,0]=3 18 B11R2.36 ClC1=CC=C2SC=CC2=N1 I-9361 [0,0,0,1,0,0|2,1,0]=4 19 B11R2.36 FC1=CC=C2NC=CC2=N1 P44953 [0,0,0,1,0,0|3,0,0]=4 20 B11R2.36 FC1=CC=C2OC=CC2=C1 P39420 [0,0,0,1,0,0|1,0,1]=3 21 B11R2.36 FC1=CC=C2SC=CC2=C1 P51244 [0,0,0,1,0,0|1,1,1]=4 22 B11R2.36 IC1=CC2=C(C=C1)NC=C2 Q55309 [0,0,0,1,0,0|2,0,1]=4 23 B11R2.36 NC1=CC=C2OC=CC2=C1 O30424 [0,0,0,1,0,0|1,0,1]=3 24 B11R2.36 NC1=CC=C2SC=CC2=C1 O31837 [0,0,0,1,0,0|1,1,1]=4 25 B11R2.36 NC1=CN=C2OC=CC2=C1 F-4603 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.36 NC1=NC2=C(C=C1)NC=C2 P44484 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.36 O=C1CCC2=C(C=CN2)C1 Q65373 [0,0,0,1,0,0|1,0,2]=4 28 B11R2.36 OC1=CC2=C(C=C1)NC=C2 P46527 [0,0,0,1,0,0|1,0,2]=4 29 B11R2.36 OC1=CC2=C(C=C1)OC=C2 L21551 [0,0,0,1,0,0|0,0,2]=3 30 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [0,0,0,0,1,0|1,1,1]=4 31 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,0,1|1,0,2]=4 32 B11R1.91 O=C(O)\C=C\C1=CC=NC=N1 Q58672 [0,0,0,0,0,1|2,0,0]=3 33 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 Q60664 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 O32453 [0,0,0,0,0,1|2,0,0]=3 35 B11R1.91 O=[N+]([O-])\C=C\C1=CC=NC=C1 F-4841 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.8 CNCC1=CC=CO1 K10906 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.23 NC(C(=O)O)C1=CC=CO1 P40590 [0,1,0,0,1,0|1,0,1]=4 38 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 O32130 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.21 CC(=O)\C=C\C1=NC=C(F)C=N1 O29283 [0,1,0,0,0,1|1,0,0]=3 40 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)N=C1 P51524 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 Q69909 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O P51664 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 Q58319 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.226 CC1=NC(\C=C\C(=O)O)=CC=C1 Q60610 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.226 CC1=NC(\C=C\C(=O)O)=CC=N1 Q60615 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P50423 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 P37059 [0,2,0,0,0,0|0,0,1]=3 48 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 P41578 [0,2,0,0,0,0|0,1,1]=4 49 B12R1.15 COC(=O)CC(N)C1=CC=CO1 M22776 [0,2,0,0,0,0|0,0,2]=4 50 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,0,1,1,0,0|1,0,1]=4 51 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 G-7564 [0,0,1,1,0,0|2,0,0]=4 52 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Q54381 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.61 CC(=O)C1=CC=CN=C1Br F-4747 [0,0,1,1,0,0|2,0,0]=4 54 B10R1.61 CC(=O)C1=CC=CN=C1C Q52526 [0,0,1,1,0,0|2,0,0]=4 55 B10R1.61 CC(=O)C1=CC=CN=C1F O30900 [0,0,1,1,0,0|2,0,0]=4 56 B10R1.61 CC(=O)C1=CC=CN=C1N Q52860 [0,0,1,1,0,0|2,0,0]=4 57 B10R1.61 CC(=O)C1=NC=CC=C1Cl G-7206 [0,0,1,1,0,0|2,0,0]=4 58 B10R1.61 CC(=O)C1=NC=CC=C1F O30529 [0,0,1,1,0,0|2,0,0]=4 59 B10R1.61 CC(=O)C1=NC=CC=C1O P41694 [0,0,1,1,0,0|1,0,0]=3 60 B10R1.61 CN(C)C1=CC=CC=C1O P38469 [0,0,1,1,0,0|2,0,0]=4 61 B10R1.61 O=C(O)C1=NC=CC=C1O I-9324 [0,0,1,1,0,0|2,0,0]=4 62 B10R1.1 C=COC1=CC=C(Br)C=C1 N25160 [0,0,1,1,0,0|1,0,1]=4 63 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [0,0,1,1,0,0|2,0,0]=4 64 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Q62345 [0,0,1,1,0,0|1,0,1]=4 65 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 O32374 [0,0,1,1,0,0|2,0,0]=4 66 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C-3316 [0,0,1,1,0,0|2,0,0]=4 67 B10R1.113 CC(=O)C1=CC(F)=CN=C1 P43295 [0,0,1,1,0,0|2,0,0]=4 68 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [0,0,1,1,0,0|2,0,0]=4 69 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 P37163 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.113 CC(N)C1=CC(O)=CC=C1 P36908 [0,0,1,1,0,0|1,0,1]=4 71 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [0,0,1,1,0,0|2,0,0]=4 72 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [0,0,1,1,0,0|2,0,0]=4 73 B10R2.7 C1=CC2=C(C=CO2)C=N1 O30086 [1,0,0,1,0,0|1,0,1]=4 74 B10R2.7 C1=CC2=C(C=CO2)N=C1 C-3657 [1,0,0,1,0,0|1,0,0]=3 75 B10R2.7 C1=CN=C2C=CNC2=C1 C-2342 [1,0,0,1,0,0|2,0,0]=4 76 B10R2.7 C1=CN=C2C=CSC2=C1 O31503 [1,0,0,1,0,0|1,1,0]=4 77 B10R2.7 C1=CN=C2N=COC2=C1 M24033 [1,0,0,1,0,0|2,0,0]=4 78 B10R2.7 C1=CN=C2OC=CC2=C1 O31056 [1,0,0,1,0,0|1,0,1]=4 79 B12R2.24 CC1=CC=C2N=CC=CC2=N1 G-5488 [0,0,0,1,0,1|2,0,0]=4 80 B12R2.24 CC1=NC2=NC=CC=C2C=C1 A-951 [0,0,0,1,0,1|2,0,0]=4 81 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 C-3537 [0,0,0,1,0,1|2,0,0]=4 82 B12R2.44 CCC1=CC2=C(C=C1)NC=C2 O34259 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.44 COC1=CC2=C(C=C1)OC=C2 L14993 [0,1,0,1,0,0|1,0,0]=3 84 B12R2.44 COC1=CC=C2NC=CC2=N1 10551 [0,1,0,1,0,0|2,0,0]=4 85 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 P45142 [0,1,0,1,0,0|2,0,0]=4 86 B12R2.44 O=CC1=CC2=C(C=N1)OC=C2 A-645 [0,1,0,1,0,0|1,0,1]=4 87 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 O31865 [0,1,0,1,0,0|2,0,0]=4 88 B12R2.44 OCC1=CC2=C(C=N1)OC=C2 A-732 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.44 OCC1=CC=C2SC=CC2=C1 I-9670 [0,1,0,1,0,0|1,1,0]=4 90 B12R2.82 CC1=C(Br)C2=C(C=C1)NC=C2 Q55368 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.82 CC1=C(Br)C=CC2=C1C=CN2 L14696 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.82 CC1=C(Cl)C2=C(C=C1)NC=C2 Q55366 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.82 CC1=C(I)C2=C(C=C1)NC=C2 Q55367 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.100 CC1=C(Br)C=C2OC=NC2=C1 O29890 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.100 CC1=CC2=C(C=C1Br)NC=C2 M15105 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.100 CC1=CC2=C(C=C1Cl)NC=C2 M15234 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.100 CC1=CC2=C(C=C1F)NC=C2 M15088 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.252 NC(=O)C1=CC2=C(C=CS2)N1 O29349 [0,1,0,1,0,0|1,1,0]=4 99 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 O30497 [0,1,0,1,0,0|1,1,0]=4 100 B12R2.132 CC1=CC2=C(C=C1)ON=C2Cl L19234 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.132 ClC1=CC=C2OC=C(Br)C2=N1 Q64355 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.246 CC1=CC2=C(NC=C2)C(C)=C1 Q55393 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.246 CC1=CC2=C(NC=C2)C(F)=C1 Q55317 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.246 ClC1=CC(Cl)=NC2=C1OC=C2 Q53031 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.7 CC(=O)C1=CNC=N1 P51504 [0,0,0,0,2,0|2,0,0]=4 106 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [0,0,0,0,2,0|2,0,0]=4 107 B8R1.7 CC(C)C1=CC=CO1 A-982 [0,0,0,0,2,0|1,0,1]=4 108 B8R1.7 NC(=O)C1=CC=CN1 P38018 [0,0,0,0,2,0|2,0,0]=4 109 B8R1.7 NC(=O)C1=CN=CO1 O31664 [0,0,0,0,2,0|2,0,0]=4 110 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [0,0,0,0,2,0|2,0,0]=4 111 B8R1.7 O=C([O-])C1=NC=CO1 K16120 [0,0,0,0,2,0|2,0,0]=4