0 B11R1.172 O=C(O)CCCC1=CC=CS1 T69302 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.21 CCCCCC1=CC=CS1 P50457 [1,0,0,0,0,0|1,1,1]=4 2 B10R1.21 NCCSCC1=CC=CO1 A3034 [1,0,0,0,0,0|1,0,1]=3 3 B12R2.2383 C1=COC(COC[C@H]2CO2)=C1 X69071 [0,0,0,1,0,0|0,1,2]=4 4 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [0,0,0,0,1,0|0,1,0]=2 5 B10R1.66 CC(=S)OCC1=CC=CO1 F46246 [0,0,0,0,1,0|0,2,0]=3 6 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,0,0,0,1,0|2,0,0]=3 7 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,0,0,0,1,0|1,0,0]=2 8 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,0,0,1,0|1,1,0]=3 9 B10R1.66 O=C(O)CCC1=NC=CN1 I38399 [0,0,0,0,1,0|3,0,0]=4 10 B10R1.66 O=C(O)CCN1C=CC=N1 P67578 [0,0,0,0,1,0|3,0,0]=4 11 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [0,0,0,0,1,0|1,0,2]=4 12 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,0,0,0,0,1|1,1,0]=3 13 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [0,0,0,0,0,1|3,0,0]=4 14 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,0,0,0,0,1|2,1,0]=4 15 B9R1.12 CCOCC1=CC=CO1 E38338 [2,0,0,0,0,0|0,1,0]=3 16 B9R1.12 O=CC=CC1=CC=CO1 F45509 [2,0,0,0,0,0|0,0,2]=4 17 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [2,0,0,0,0,0|0,0,2]=4 18 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A46431 [0,1,0,0,1,0|1,0,0]=3 19 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O A46422 [0,1,0,0,1,0|1,1,0]=4 20 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O A46430 [0,1,0,0,1,0|1,0,0]=3 21 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O A46420 [0,1,0,0,1,0|1,1,0]=4 22 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 A46421 [0,1,0,0,1,0|1,1,0]=4 23 B13R1.718 CCC(=O)COCC1=CC=CC=C1 B54766 [0,1,0,0,0,1|1,1,0]=4 24 B13R1.718 COC(=O)CNCC1=CC=CC=C1 M52944 [0,1,0,0,0,1|2,0,0]=4 25 B11R2.106 O=C1CCCC2=C1C=CO2 D49075 [1,0,0,1,0,0|1,0,0]=3 26 B11R2.106 O=C1CCCC2=C1C=CS2 B13835 [1,0,0,1,0,0|1,1,0]=4 27 B11R2.106 O=C1COCC2=C1C=CN2 D14771 [1,0,0,1,0,0|1,1,0]=4 28 B11R2.106 O=C1NCCC2=C1C=CO2 F60340 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,0,0,0,2,0|1,1,0]=4 30 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,0,0,0,2,0|1,0,0]=3 31 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,0,0,0,2,0|1,1,0]=4 32 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,0,0,0,0,1|1,1,0]=4