0 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HY-145613 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HY-W102356 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HY-A0281 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-W015359 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-Y0735 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.28 C#CCCCC1=CC=CC=C1 HY-W130901 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.28 S=C=NCCC1=CC=CC=C1 HY-23155 [1,0,0,0,0,0|1,1,1]=4 7 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 HY-W001943 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O HY-I1029 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 HY-120504 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.718 O=C(CCCC1=CC=CC=C1)O[Na] HY-15654 [0,1,0,0,0,0|2,0,0]=3 11 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 HY-W010144 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 HY-W019727 [0,0,0,1,0,0|1,0,0]=2 13 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 HY-W018667 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [0,0,0,0,1,0|0,0,0]=1 15 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [0,0,0,0,1,0|1,0,0]=2 16 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [0,0,0,0,1,0|1,0,0]=2 17 B11R1.91 CC(=O)NNC1=CC=CC=C1 HY-W017425 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HY-W012595A [0,0,0,0,1,0|0,0,2]=3 19 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [0,0,0,0,1,0|1,0,1]=3 20 B11R1.91 CN(C)CCC1=CC=CC=N1 HY-W013654 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.91 N=C(O)NCC1=CC=CC=C1 HY-W010253 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.91 NC(=O)NNC1=CC=CC=C1 HY-W280349 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HY-W017495 [0,0,0,0,1,0|1,0,2]=4 24 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HY-W067479 [0,0,0,0,1,0|1,0,2]=4 25 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HY-W007319 [0,0,0,0,1,0|1,0,2]=4 26 B11R1.91 O=C(O)CCC1=CC=CC=C1 HY-Y1088 [0,0,0,0,1,0|1,0,0]=2 27 B11R1.91 O=C(O)CCC1=NC=CC=N1 HY-W128579 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.91 O=C(O)COC1=CC=CC=C1 HY-Y0267 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610 [0,0,0,0,1,0|1,0,2]=4 30 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610A [0,0,0,0,1,0|1,0,2]=4 31 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610R [0,0,0,0,1,0|1,0,2]=4 32 B11R1.172 CC(=O)NCCC1=CN=CN1 HY-112175 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 HY-N7125 [0,0,0,0,0,1|0,0,1]=2 34 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 HY-W032915 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.17 C=CCNC1=CC=CC=C1 HY-W087043 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [2,0,0,0,0,0|2,0,0]=4 38 B10R1.17 CNCCC1=NC=CC=C1 HY-B0524 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.17 CNCCC1=NC=CC=C1 HY-D0237 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 O=C\C=C\C1=CC=CC=C1 HY-W019711 [2,0,0,0,0,0|0,0,2]=4 41 B10R1.17 OCCCC1=CC=CC=C1 HY-41304 [2,0,0,0,0,0|0,0,2]=4 42 B12R1.27 COC(=O)CCC1=CC=CC=C1 HY-W007828 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.30 CCCCC(O)C1=CC=CC=C1 HY-B1273 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HY-N1426R [0,1,0,0,1,0|0,0,0]=2 45 B12R1.21 CC(=O)O[Hg]C1=CC=C(N)C=C1 HY-148905 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 HY-136913 [0,1,0,0,1,0|0,0,2]=4 47 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113B [0,1,0,0,1,0|2,0,0]=4 49 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HY-W028185 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HY-W015346 [0,1,0,0,1,0|1,0,0]=3 51 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 HY-W141885 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 HY-19698 [0,1,0,0,1,0|2,0,0]=4 53 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 HY-W052234 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732R [0,1,0,0,1,0|1,0,0]=3 56 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215 [0,1,0,0,1,0|1,0,0]=3 57 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215R [0,1,0,0,1,0|1,0,0]=3 58 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O HY-W022405 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O HY-Y0079 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O HY-W022404 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530 [0,1,0,0,1,0|1,0,1]=4 62 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530R [0,1,0,0,1,0|1,0,1]=4 63 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162R [0,1,0,0,1,0|1,0,0]=3 65 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 HY-30219 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215S5 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HY-W013607 [0,1,0,0,1,0|0,0,1]=3 68 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HY-W017189 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HY-W002039 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.125 O=C(O)CCC1=CC=CC=C1O HY-W017158 [0,1,0,0,1,0|1,0,0]=3 71 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 HY-W005255 [0,1,0,0,1,0|1,0,0]=3 72 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 HY-W129441 [0,1,0,0,0,1|1,0,0]=3 73 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 HY-W763597 [0,1,0,0,0,1|0,0,1]=3 74 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O HY-W009908 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.6449 [C@H](N)(COCC1=CC=CC=C1)C(=O)O HY-W008308 [0,1,0,0,0,1|2,0,0]=4 76 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O HY-W014329 [0,1,0,0,0,1|2,0,0]=4 77 B14R1.687 CC(=O)NCCC1=CC=C(O)C(O)=C1 HY-N7493 [0,2,0,0,0,0|1,0,0]=3 78 B14R1.687 CC(=O)OCCC1=CC(O)=C(O)C=C1 HY-N6043 [0,2,0,0,0,0|0,0,0]=2 79 B14R1.4464 O=C(O)CCCC1=C(Cl)C=C(F)C=C1 HY-49707 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 HY-76448 [0,2,0,0,0,0|2,0,0]=4 81 B12R2.1081 O=C1CCCC2=C1C=CC=C2 HY-76194A [1,0,0,1,0,0|1,0,0]=3 82 B12R2.24 O=C1CCC2=CC=CC=C2N1 HY-W002108 [0,0,0,1,1,0|1,0,0]=3 83 B12R2.24 O=C1CCC2=CC=CC=C2O1 HY-N1926 [0,0,0,1,1,0|1,0,0]=3 84 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 HY-137884 [0,0,0,1,0,1|0,0,2]=4 85 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 HY-41882 [0,0,0,1,0,1|1,0,0]=3 86 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 HY-B1178 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.18 CC(=O)NC1=CC=CC=N1 HY-W101320 [0,0,0,0,2,0|2,0,0]=4 88 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [0,0,0,0,2,0|0,0,0]=2 89 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [0,0,0,0,2,0|0,0,0]=2 90 B10R1.18 CC(=S)NC1=CC=CC=C1 HY-129756 [0,0,0,0,2,0|1,1,0]=4 91 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [0,0,0,0,2,0|0,0,2]=4 92 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [0,0,0,0,2,0|1,0,0]=3 93 B10R1.18 NC(=O)NC1=CC=CC=C1 HY-W017044 [0,0,0,0,2,0|2,0,0]=4 94 B10R1.18 O=C(O)CC1=CC=CC=N1 HY-W016825 [0,0,0,0,2,0|2,0,0]=4 95 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [0,0,0,0,2,0|2,0,0]=4 96 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [0,0,0,0,2,0|2,0,0]=4 97 B10R1.66 CC(=O)OCC1=CC=CO1 HY-W010321 [0,0,0,0,2,0|1,0,0]=3