0 B12R1.32 C#CCN(C)CC1=CC=CC=C1 O33738 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.32 CN(CCN)CC1=CC=CC=C1 P41340 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.32 CONC(C)CC1=CC=CC=C1 O31441 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.28 BrCCCCC1=CC=CC=C1 P41514 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 ICCCCC1=CC=CC=C1 P36870 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.40 CC(C#N)NC1=CC=CC=C1 M15456 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [1,0,0,0,0,0|1,0,2]=4 13 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 O28897 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 P41730 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 Q68980 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 P39247 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 Q68981 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 I-9905 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 O28725 [0,0,0,1,0,0|1,0,1]=3 21 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 O28255 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 P34775 [0,0,0,1,0,0|1,0,1]=3 23 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 M23194 [0,0,0,1,0,0|1,0,1]=3 24 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 P37306 [0,0,0,1,0,0|2,0,1]=4 25 B13R2.328 O=C1NC(Cl)=NC2=C1C=CC=C2 M15575 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.16 CC(CCN)C1=CC=CC=C1 P38414 [0,0,0,0,1,0|2,0,1]=4 27 B11R1.16 CCNC(C)C1=CC=NC=C1 Q58232 [0,0,0,0,1,0|2,0,1]=4 28 B11R1.16 CCNC(C)C1=CC=NC=C1 Q58233 [0,0,0,0,1,0|2,0,1]=4 29 B11R1.16 CNCC(C)C1=CC=CC=C1 P37180 [0,0,0,0,1,0|3,0,0]=4 30 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 K10831 [0,0,0,0,0,1|2,0,1]=4 31 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 CNCCC1=CC=CC=C1 P37213 [2,0,0,0,0,0|0,0,1]=3 33 B10R1.17 CNCCC1=CC=NC=C1 P37446 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.17 CNCCC1=NC=CC=C1 P40087 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.17 ICCCC1=CC=CC=C1 P38180 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.8 O=C=NCCOC1=CC=CC=C1 L21183 [1,1,0,0,0,0|0,0,2]=4 41 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O P43046 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Q60576 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O P43045 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O Q60744 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.43 CC(CC1=NC=NC=C1)C(=O)O Q60710 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P36885 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P43169 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P38459 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P38458 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P36517 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O O27942 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O P38457 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 L21351 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.194 C[C@@](N)(CO)CC1=CC=CC=C1 10161 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.371 C\C(C=O)=C/C1=CC=CC=C1F Q69219 [1,1,0,0,0,0|0,0,2]=4 59 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L20607 [0,1,0,0,1,0|1,0,1]=4 60 B12R1.107 CC(CC(=O)O)C1=CC=CC=N1 Q60567 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Q60575 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [0,1,0,0,1,0|2,0,0]=4 63 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O P35180 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O M22764 [0,1,0,0,0,1|2,0,0]=4 65 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O M22743 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 P40459 [0,2,0,0,0,0|2,0,0]=4 67 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 P39172 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.698 NC(CC(=O)O)CC1=CC=C(Br)C=C1 P41889 [0,2,0,0,0,0|2,0,0]=4 69 B14R1.698 NC(CC(=O)O)CC1=CC=C(Cl)C=C1 P36643 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.698 NC(CC(=O)O)CC1=CC=C(F)C=C1 P36608 [0,2,0,0,0,0|2,0,0]=4 71 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 P36130 [0,2,0,0,0,0|2,0,0]=4 72 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 P36642 [0,2,0,0,0,0|2,0,0]=4 73 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 Q69091 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 P36200 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 P39187 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 P39175 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 Q69093 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 P39154 [0,2,0,0,0,0|2,0,0]=4 79 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 Q69089 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(F)C=C1 P39150 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(I)C=C1 P39167 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.423 NC(=O)OC[C@H](N)CC1=CC=CC=C1 Q69522 [0,2,0,0,0,0|2,0,0]=4 83 B14R1.423 N[C@@H](CCC(=O)O)CC1=CC=CC=C1 P35128 [0,2,0,0,0,0|2,0,0]=4 84 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 P43132 [0,2,0,0,0,0|2,0,0]=4 85 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(=O)O P39183 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O P39173 [0,2,0,0,0,0|2,0,0]=4 87 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Br P36351 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl P39198 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F P36370 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Br P36161 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Cl P39156 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F P39396 [0,2,0,0,0,0|2,0,0]=4 93 B12R2.2 C1=CC=C(C2CCNC2)C=C1 L13987 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P44791 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 L14895 [1,0,0,1,0,0|1,0,1]=4 96 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 L22374 [1,0,0,1,0,0|1,0,1]=4 97 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [1,0,0,1,0,0|1,0,0]=3 98 B12R2.27 O=CC1CC1C2=CC=CC=C2 L20873 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.41 C1=CC=C2CCNCCC2=C1 G-5674 [1,0,0,1,0,0|1,0,1]=4 100 B12R2.1081 O=C1CCCC2=C1C=CN=C2 M15496 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.1081 O=C1CCCC2=C1C=NC=C2 M15791 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.1081 O=C1CCCC2=C1N=CC=C2 P43242 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.1081 O=C1CCCC2=NC=CC=C12 C-3495 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B-1121 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.1081 O=C1CCNC2=C1C=CC=C2 O34422 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.1081 O=C1COCC2=CC=CC=C12 C-2359 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.1081 O=C1NCCC2=C1C=CC=C2 O30459 [1,0,0,1,0,0|0,0,0]=2 108 B12R2.1081 O=C1NCCC2=C1C=CC=N2 O29792 [1,0,0,1,0,0|1,0,0]=3 109 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,1,1,0|1,0,0]=3 110 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,1,1,0|0,0,0]=2 111 B14R2.101 C1=CC=C(OCC2CCCN2)C=C1 P41119 [0,0,0,1,0,1|1,0,1]=4 112 B14R2.101 C1=CC=C(OC[C@@H]2CCCN2)C=C1 P40526 [0,0,0,1,0,1|1,0,1]=4 113 B14R2.101 C1=CC=C(OC[C@H]2CCCN2)C=C1 P41725 [0,0,0,1,0,1|1,0,1]=4 114 B14R2.436 C=C1CC(OCC2=CC=CC=C2)C1 P49889 [0,0,0,1,0,1|2,0,0]=4 115 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 G-6516 [0,0,0,1,0,1|1,0,0]=3 116 B14R2.947 O=C1CC(OC2=CC=C(I)C=C2)C1 F-4530 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.8235 O=C1CC2=C(C=C(Br)C=C2)C(=O)N1 O31528 [0,1,0,1,0,0|1,0,1]=4 118 B14R2.28480 O=C1CC2=C(C(=O)N1)C(Br)=CC=C2 P43742 [0,1,0,1,0,0|1,0,1]=4 119 B14R2.29365 O=C1CC2=C(C=CC(Br)=C2)C(=O)N1 K10896 [0,1,0,1,0,0|1,0,1]=4 120 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 O28751 [0,1,0,1,0,0|1,0,1]=4 121 B14R2.6 C1=CC=C(CC2CNCCN2)C=C1 P35853 [0,1,0,1,0,0|1,0,1]=4 122 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 B-1090 [0,1,0,1,0,0|0,0,2]=4 123 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 O28285 [0,1,0,1,0,0|0,0,2]=4 124 B14R2.6 C1=CC=C(C[C@@H]2CNCCN2)C=C1 P41729 [0,1,0,1,0,0|1,0,1]=4 125 B14R2.6 C1=CC=C(C[C@@H]2COCCN2)C=C1 B-1091 [0,1,0,1,0,0|0,0,2]=4 126 B14R2.6 C1=CC=C(C[C@H]2CNCCN2)C=C1 P39857 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 B-1092 [0,1,0,1,0,0|0,0,2]=4 128 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [0,1,0,1,0,0|1,0,0]=3 129 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 I-9140 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 O31172 [0,1,0,1,0,0|0,1,0]=3 131 B14R2.78 O=C[C@H]1CCN1CC2=CC=CC=C2 P44443 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.1019 O=C1NC(CCl)=NC2=C1C=CC=C2 P38412 [0,1,0,1,0,0|1,0,1]=4 133 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 P38431 [0,1,0,1,0,0|1,0,0]=3 134 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [1,0,0,0,1,0|0,0,1]=3 135 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [1,0,0,0,1,0|0,0,1]=3