0 B10R1.66 CC(=O)\C=C\C1=CC=CS1 DY584490 [0,0,0,0,0,0|1,1,1]=3 1 B10R1.66 O=C(O)CCC1=CC=CN1 NO21786 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 O=C(O)CCN1C=CC=N1 DY578343 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 CCOCC1=CC=CO1 NO17009 [1,0,0,0,0,0|0,1,1]=3 4 B9R1.12 CSSCC1=CC=CO1 DY759446 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.25 NCC(=O)NCC1=CC=CO1 DY509480 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O NO20416 [0,1,0,0,0,0|2,1,0]=4 7 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O NO13507 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.75 O=C(O)CCC1=CC(Cl)=CO1 DY760016 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 DY569493 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.510 CC(C)(C)NCC1=CC=CO1 DY609924 [0,1,0,0,0,0|2,0,1]=4 11 B11R2.36 CC1=CC2=C(C=C1)OC=C2 DY441161 [0,0,0,1,0,0|2,0,1]=4 12 B11R2.36 O=C1CCC2=C(C=NN2)C1 DY116171 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.13 CC(=O)CC1=CSC=C1 DY787564 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.13 CC(=O)CN1C=NC=N1 NO13822 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.13 O=C(O)CC1=CC=CS1 NO23025 [0,0,0,0,1,0|1,1,0]=3 16 B9R1.13 O=C(O)CC1=CN=CN1 NO22764 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.13 O=C(O)CN1C=CC=C1 DY793113 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.13 OB(O)CC1=CC=CO1 DY706285 [0,0,0,0,1,0|2,0,1]=4 19 B11R1.91 CC(=O)CCC1=CC=CN=C1 DY560043 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.91 NC(=O)CCC1=NC=CC=C1 DY713935 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.91 O=C(O)CCC1=CC=CC=C1 DY556977 [0,0,0,0,0,1|3,0,0]=4 22 B8R1.8 CSCC1=CC=CO1 DY523785 [2,0,0,0,0,0|0,0,0]=2 23 B8R1.8 O=CCC1=CC=CS1 NO17423 [2,0,0,0,0,0|0,1,0]=3 24 B10R1.16 CC1=CC=C(\C=C\C=O)O1 NO17008 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.21 C=CCNCC1=CC=CO1 DY614831 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.21 NCCSCC1=CC=CO1 DY794745 [1,1,0,0,0,0|0,0,1]=3 27 B10R1.21 OCCNCC1=CC=CO1 DY615064 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.23 O=C(O)C(O)C1=CC=CS1 DY787054 [0,1,0,0,1,0|1,1,0]=4 29 B10R1.54 CC(=O)NC1=CC=C(Br)S1 NO11706 [0,1,0,0,1,0|1,1,0]=4 30 B10R1.54 CC1=CC=C(CC(=O)O)S1 DY786946 [0,1,0,0,1,0|1,1,0]=4 31 B10R1.64 CN1C=CC=C1CC(=O)O DY20727 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 NO14964 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.27 COC(=O)CCC1=CC=CC=C1 DY433965 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.27 COC(=O)CCC1=CC=NC=C1 DY662376 [0,1,0,0,0,1|2,0,0]=4 35 B12R1.27 COC(=O)CCC1=NC=CC=C1 DY713929 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 NO19947 [0,1,0,0,0,1|1,1,0]=4 37 B12R1.27 O=C(CO)OCC1=CC=CC=C1 DY547407 [0,1,0,0,0,1|1,1,0]=4 38 B12R1.226 CC(=O)OCC1=NC=CC(I)=C1 DY796443 [0,1,0,0,0,1|1,1,0]=4 39 B10R1.61 CC(=O)C1=C(O)C=CC=C1 DY790197 [0,0,1,1,0,0|1,0,1]=4 40 B10R1.61 CC(=O)C1=C(O)C=CC=C1 NO15026 [0,0,1,1,0,0|1,0,1]=4 41 B10R1.61 CC(=O)C1=NC=CC=C1O NO14450 [0,0,1,1,0,0|2,0,0]=4 42 B10R1.113 CC(=O)C1=CC(O)=CC=C1 NO18681 [0,0,1,1,0,0|1,0,1]=4 43 B12R2.24 O=C1CCC2=C(C1)N=CC=C2 DY798129 [0,0,0,1,0,1|2,0,0]=4 44 B8R1.7 CC(=O)C1=CC=CO1 NO18634 [0,0,0,0,2,0|0,0,0]=2 45 B8R1.7 CC(=O)C1=CC=CS1 NO19387 [0,0,0,0,2,0|0,1,0]=3 46 B8R1.7 CC(=O)C1=CC=NO1 NO15344 [0,0,0,0,2,0|1,0,0]=3 47 B8R1.7 CC(=O)C1=CNC=N1 NO20378 [0,0,0,0,2,0|2,0,0]=4 48 B8R1.7 CC(=O)C1=CSC=N1 NO13244 [0,0,0,0,2,0|2,0,0]=4 49 B8R1.7 CC(=O)C1=NC=CO1 NO20443 [0,0,0,0,2,0|1,0,0]=3 50 B8R1.7 CC(=O)C1=NC=CS1 NO22755 [0,0,0,0,2,0|1,1,0]=4 51 B8R1.7 CC(=O)C1=NNC=C1 NO13441 [0,0,0,0,2,0|2,0,0]=4 52 B8R1.7 CC(=O)C1=NOC=C1 DY116141 [0,0,0,0,2,0|2,0,0]=4 53 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [0,0,0,0,2,0|0,0,2]=4 54 B8R1.7 N=C(N)C1=CC=CO1 DY609169 [0,0,0,0,2,0|2,0,0]=4 55 B8R1.7 NC(=O)C1=CC=NO1 DY773817 [0,0,0,0,2,0|2,0,0]=4 56 B8R1.7 O=C(O)C1=CC=CN1 NO17766 [0,0,0,0,2,0|2,0,0]=4 57 B8R1.7 O=C(O)C1=CC=CO1 NO16202 [0,0,0,0,2,0|1,0,0]=3 58 B8R1.7 O=C(O)C1=CC=NO1 NO15566 [0,0,0,0,2,0|2,0,0]=4 59 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [1,0,0,0,0,1|2,0,0]=4 60 B12R1.252 CC(=O)NCCC1=CC=CC=C1 DY459522 [0,0,0,0,0,2|2,0,0]=4