0 B12R1.27 COC(=O)CCC1=CC=CC=C1 HY-W007828 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 BrCCCOC1=CC=CC=C1 HY-W019627 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 C#CCCCC1=CC=CC=C1 HY-W130901 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.28 NCCOCC1=CC=CC=C1 HY-W017834 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 OCCNCC1=CC=CC=C1 HY-W017395 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.28 OCCOCC1=CC=CC=C1 HY-W007853 [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 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [1,0,0,0,0,0|0,0,1]=2 8 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.91 CC(=O)NNC1=CC=CC=C1 HY-W017425 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HY-W012595A [1,0,0,0,0,0|0,0,3]=4 12 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 CN(C)CCC1=CC=CC=N1 HY-W013654 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.91 O=C(O)CCC1=CC=CC=C1 HY-Y1088 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.91 O=C(O)COC1=CC=CC=C1 HY-Y0267 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O HY-I1029 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.10 CC1COC(C2=CC=CC=C2)O1 HY-W010119 [0,0,0,1,0,0|1,0,2]=4 18 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O HY-W004316 [0,0,0,1,0,0|0,0,0]=1 19 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 HY-Y0168 [0,0,0,0,1,0|1,0,2]=4 20 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 HY-W017398 [0,0,0,0,1,0|1,0,2]=4 21 B10R1.17 C=CCNC1=CC=CC=C1 HY-W087043 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [2,0,0,0,0,0|2,0,0]=4 24 B10R1.17 CNCCC1=NC=CC=C1 HY-B0524 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.17 CNCCC1=NC=CC=C1 HY-D0237 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 O=C\C=C\C1=CC=CC=C1 HY-W019711 [2,0,0,0,0,0|0,0,2]=4 27 B10R1.17 OCCCC1=CC=CC=C1 HY-41304 [2,0,0,0,0,0|0,0,1]=3 28 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729R [2,0,0,0,0,0|1,0,1]=4 30 B12R1.30 CCCCC(O)C1=CC=CC=C1 HY-B1273 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HY-145613 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HY-W102356 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HY-A0281 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-W015359 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-Y0735 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HY-N1426R [1,1,0,0,0,0|0,0,1]=3 37 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 HY-136913 [1,1,0,0,0,0|0,0,1]=3 38 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113B [1,1,0,0,0,0|1,0,1]=4 40 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HY-W028185 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HY-W015346 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732R [1,1,0,0,0,0|1,0,1]=4 44 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215R [1,1,0,0,0,0|1,0,1]=4 46 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O HY-Y0079 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162R [1,1,0,0,0,0|1,0,1]=4 49 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 HY-30219 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215S5 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HY-W013607 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HY-W017189 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HY-W002039 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.125 O=C(O)CCC1=CC=CC=C1O HY-W017158 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 HY-W005255 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O HY-W009908 [0,1,0,0,0,1|1,0,0]=3 57 B14R1.6449 [C@H](N)(COCC1=CC=CC=C1)C(=O)O HY-W008308 [0,1,0,0,0,1|1,0,0]=3 58 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O HY-W014329 [0,1,0,0,0,1|1,0,0]=3 59 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 HY-W053678 [0,2,0,0,0,0|1,0,0]=3 60 B12R2.1081 O=C1CCCC2=C1C=CC=C2 HY-76194A [1,0,0,1,0,0|0,0,0]=2 61 B12R2.24 O=C1CCC2=CC=CC=C2N1 HY-W002108 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.24 O=C1CCC2=CC=CC=C2O1 HY-N1926 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.18 O=C1CC2=CC=CC=C2C1=O HY-W013580 [0,0,0,1,1,0|1,0,1]=4 64 B12R2.32 CNC1CC2=C(C=CC=C2)C1 HY-113833 [0,0,0,1,1,0|2,0,0]=4 65 B14R2.781 N=C(N)N1CCC2=C(C=CC=C2)C1 HY-B1624A [0,1,0,1,0,0|2,0,0]=4 66 B14R2.781 N=C(N)N1CCC2=C(C=CC=C2)C1 HY-W195509 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 HY-I0422 [0,1,0,1,0,0|1,0,0]=3 68 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 HY-13987 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [1,0,0,0,1,0|1,0,1]=4 70 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [1,0,0,0,1,0|1,0,1]=4 71 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [1,0,0,0,1,0|0,0,1]=3 72 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [1,0,0,0,1,0|1,0,1]=4 73 B10R1.15 CC(CN)C1=CC=CC=C1 HY-W005394 [0,0,0,0,2,0|1,0,1]=4