0 B13R1.718 O=C(CCCC1=CC=CC=C1)O[Na] HY-15654 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HY-145613 [1,0,0,0,0,0|0,0,0]=1 2 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HY-W102356 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HY-A0281 [1,0,0,0,0,0|0,0,0]=1 4 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-W015359 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-Y0735 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.163 O=C(CNC(=O)C1=CC=CC=C1)O[Na] HY-W014841 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 HY-76448 [0,1,0,0,0,0|1,0,0]=2 8 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 HY-41882 [0,0,0,1,0,0|1,0,0]=2 9 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 HY-79635 [0,0,0,1,0,0|1,0,2]=4 10 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 HY-B1178 [0,0,0,1,0,0|2,0,0]=3 11 B12R1.27 COC(=O)CCC1=CC=CC=C1 HY-W007828 [0,0,0,0,1,0|0,0,0]=1 12 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HY-W017212 [0,0,0,0,1,0|0,0,2]=3 13 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HY-W067056 [0,0,0,0,1,0|0,0,2]=3 14 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HY-W005117 [0,0,0,0,1,0|3,0,0]=4 15 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 HY-W763597 [0,0,0,0,0,1|2,0,1]=4 16 B11R1.28 C#CCCCC1=CC=CC=C1 HY-W130901 [2,0,0,0,0,0|0,0,2]=4 17 B11R1.28 OCCNCC1=CC=CC=C1 HY-W017395 [2,0,0,0,0,0|1,0,1]=4 18 B11R1.28 OCCOCC1=CC=CC=C1 HY-W007853 [2,0,0,0,0,0|1,0,1]=4 19 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 HY-W001943 [1,1,0,0,0,0|0,0,1]=3 20 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 HY-B1691 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 HY-B1691R [1,1,0,0,0,0|1,0,1]=4 22 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 HY-W016562 [1,1,0,0,0,0|1,0,1]=4 23 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O HY-I1029 [1,1,0,0,0,0|0,0,0]=2 24 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 HY-120504 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 HY-W016598 [0,1,0,0,1,0|2,0,0]=4 26 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HY-N1434 [0,1,0,0,1,0|0,0,2]=4 27 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HY-N2492 [0,1,0,0,1,0|0,0,2]=4 28 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HY-N2492R [0,1,0,0,1,0|0,0,2]=4 29 B13R1.14 O=C(COC1=CC=C(Cl)C=C1)O[Na] HY-19698A [0,1,0,0,1,0|2,0,0]=4 30 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 HY-W042002 [0,1,0,0,1,0|0,0,0]=2 31 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 HY-Y1394 [0,1,0,0,1,0|0,0,0]=2 32 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 HY-I0924A [0,1,0,0,1,0|0,0,0]=2 33 B15R1.1321 [C@H](N)(COCC1=CC=CC=C1)C(=O)OC HY-W011992 [0,1,0,0,0,1|0,0,0]=2 34 B15R1.1321 [C@H](N)(CSCC1=CC=CC=C1)C(=O)OC HY-W011773 [0,1,0,0,0,1|0,0,0]=2 35 B15R1.826 [C@@H](N)(CCC1=CC=CC=C1)C(=O)OCC HY-W013416 [0,2,0,0,0,0|0,0,0]=2 36 B15R1.1370 COC(=O)C(CO)NCC1=CC=CC=C1 HY-W003903 [0,2,0,0,0,0|1,0,0]=3 37 B15R1.1370 COC(=O)[C@H](CO)NCC1=CC=CC=C1 HY-W003903A [0,2,0,0,0,0|1,0,0]=3 38 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 HY-W010144 [1,0,0,1,0,0|2,0,0]=4 39 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 HY-W019727 [1,0,0,1,0,0|2,0,0]=4 40 B15R2.4 COC(=O)CC1=CNC2=CC=CC=C12 HY-W015224 [0,0,0,1,0,1|0,0,2]=4 41 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 HY-W007822 [0,0,0,1,0,1|1,0,0]=3 42 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [1,0,0,0,1,0|0,0,0]=2 43 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [1,0,0,0,1,0|1,0,0]=3 44 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [1,0,0,0,1,0|1,0,0]=3 45 B11R1.91 CC(=O)NNC1=CC=CC=C1 HY-W017425 [1,0,0,0,1,0|2,0,0]=4 46 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HY-W012595A [1,0,0,0,1,0|0,0,2]=4 47 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [1,0,0,0,1,0|1,0,1]=4 48 B11R1.91 N=C(O)NCC1=CC=CC=C1 HY-W010253 [1,0,0,0,1,0|2,0,0]=4 49 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HY-W007319 [1,0,0,0,1,0|0,0,2]=4 50 B11R1.91 O=C(O)CCC1=CC=CC=C1 HY-Y1088 [1,0,0,0,1,0|0,0,0]=2 51 B11R1.91 O=C(O)CCC1=NC=CC=N1 HY-W128579 [1,0,0,0,1,0|2,0,0]=4 52 B11R1.91 O=C(O)COC1=CC=CC=C1 HY-Y0267 [1,0,0,0,1,0|1,0,0]=3 53 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610 [1,0,0,0,1,0|0,0,2]=4 54 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610A [1,0,0,0,1,0|0,0,2]=4 55 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610R [1,0,0,0,1,0|0,0,2]=4