0 B18R2.165926 IC[C@H]1O[C@H](C[C@@H]1O)n2cc(C)c(=O)[nH]c2=O 1P002RND [0,0,0,0,0,0|1,0,0]=1 1 B18R2.165926 OC[C@@H]1O[C@H](C[C@H]1O)n2cc(C)c(=O)[nH]c2=O 1P00I785 [0,0,0,0,0,0|0,0,0]=0 2 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1F)n2cc(C)c(=O)[nH]c2=O 1P00I5BU [0,0,0,0,0,0|1,0,0]=1 3 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1N)n2cc(C)c(=O)[nH]c2=O 1P00I9UI [0,0,0,0,0,0|1,0,0]=1 4 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)c2cn(C)c(=O)[nH]c2=O 1P00EBSZ [0,0,0,0,0,0|2,0,0]=2 5 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(Br)c(=O)[nH]c2=O 1P003517 [0,0,0,0,0,0|1,0,0]=1 6 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(Br)c(nc2=O)N 1P0007CN [0,0,0,0,0,0|2,0,1]=3 7 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C)c(=O)[nH]c2=O 1P001PNT [0,0,0,0,0,0|0,0,0]=0 8 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C)c(nc2=O)N 1P004X10 [0,0,0,0,0,0|1,0,1]=2 9 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(Cl)c(=O)[nH]c2=O 1P01CBLL [0,0,0,0,0,0|1,0,0]=1 10 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(F)c(=O)[nH]c2=O 1P0036CA [0,0,0,0,0,0|1,0,0]=1 11 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(F)c(nc2=O)N 1P008633 [0,0,0,0,0,0|2,0,1]=3 12 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(=O)[nH]c2=O 1P003AQZ [0,0,0,0,0,0|1,0,0]=1 13 B18R2.165926 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(nc2=O)N 1P00392K [0,0,0,0,0,0|2,0,1]=3 14 B17R2.10947 NC[C@H]1O[C@H](C[C@@H]1O)n2ccc(nc2=O)N 1P0286BX [1,0,0,0,0,0|2,0,1]=4 15 B17R2.10947 OC[C@@H]1O[C@H](C[C@H]1O)n2ccc(nc2=O)N 1P00I8BS [1,0,0,0,0,0|1,0,1]=3 16 B17R2.10947 OC[C@H]1O[C@@H](C[C@@H]1O)n2cnc(nc2=O)N 1P00C2U3 [1,0,0,0,0,0|2,0,1]=4 17 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1O)c2c[nH]c(=O)[nH]c2=O 1P01EAXP [1,0,0,0,0,0|2,0,0]=3 18 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1O)n2ccc(=O)[nH]c2=O 1P005TMD [1,0,0,0,0,0|0,0,0]=1 19 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1O)n2ccc(=S)[nH]c2=O 1P00DL4F [1,0,0,0,0,0|0,1,0]=2 20 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1O)n2ccc(nc2=O)N 1P002JBX [1,0,0,0,0,0|1,0,1]=3 21 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1O)n2ccc(nc2=O)N 1P00I8AM [1,0,0,0,0,0|1,0,1]=3 22 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1O)n2ccc(nc2=O)N 1P00IJ77 [1,0,0,0,0,0|1,0,1]=3 23 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1O)n2cnc(nc2=O)N 1P002O2H [1,0,0,0,0,0|2,0,1]=4 24 B17R2.10949 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)cnc2=O 1P01RJN6 [1,0,0,0,0,0|1,0,1]=3 25 B17R2.42384 O[C@H]1C[C@@H](O[C@@H]1C)n2cc(C)c(=O)[nH]c2=O 1P00C16P [1,0,0,0,0,0|0,0,0]=1 26 B17R2.96300 Cc1cn([C@@H]2O[C@@H](C=C2)CO)c(=O)[nH]c1=O 1P00310M [1,0,0,0,0,0|0,0,2]=3 27 B17R2.96300 Cc1cn([C@H]2CC[C@H](O2)CO)c(=O)[nH]c1=O 1P00I77Q [1,0,0,0,0,0|0,0,0]=1 28 B17R2.96300 OC[C@@H]1CC[C@@H](O1)n2cc(I)c(=O)[nH]c2=O 1P003GQC [1,0,0,0,0,0|1,0,0]=2 29 B17R2.96300 OC[C@@H]1O[C@@H](CS1)n2cc(F)c(=O)[nH]c2=O 1P001E20 [1,0,0,0,0,0|2,0,0]=3 30 B19R2.279485 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C#C)c(=O)[nH]c2=O 1P00IB9Z [0,1,0,0,0,0|0,0,1]=2 31 B19R2.279485 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C#C)c(nc2=O)N 1P006DZG [0,1,0,0,0,0|1,0,2]=4 32 B19R2.279485 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(C=O)c(=O)[nH]c2=O 1P003N8K [0,1,0,0,0,0|0,0,1]=2 33 B19R2.279485 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(CC)c(=O)[nH]c2=O 1P00AP62 [0,1,0,0,0,0|0,0,0]=1 34 B19R2.279485 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(CO)c(=O)[nH]c2=O 1P00DAG7 [0,1,0,0,0,0|0,0,0]=1 35 B19R2.279485 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(CO)c(nc2=O)N 1P00FDCI [0,1,0,0,0,0|1,0,1]=3 36 B19R2.281043 OC[C@H]1O[C@H](C[C@@H]1O)n2c(=O)[nH]c(=O)c(c2[2H])[2H] 1P00C5WD [0,1,0,0,0,0|1,0,0]=2 37 B19R2.3613666 OC[C@@H]1O[C@@H]([C@@H]([C@H]1O)F)n2cc(C)c(=O)[nH]c2=O 1P001UET [0,1,0,0,0,0|0,0,0]=1 38 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n2cc(C)c(=O)[nH]c2=O 1P000JYV [0,1,0,0,0,0|0,0,0]=1 39 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n2cc(I)c(=O)[nH]c2=O 1P00D8EE [0,1,0,0,0,0|1,0,0]=2 40 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c2cn(C)c(=O)[nH]c2=O 1P0019B5 [0,1,0,0,0,0|2,0,0]=3 41 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(Br)c(=O)[nH]c2=O 1P006BGA [0,1,0,0,0,0|1,0,0]=2 42 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(Br)c(nc2=O)N 1P003195 [0,1,0,0,0,0|2,0,1]=4 43 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(C)c(=O)[nH]c2=O 1P001ECH [0,1,0,0,0,0|0,0,0]=1 44 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(C)c(=O)[nH]c2=S 1P00C16N [0,1,0,0,0,0|0,1,0]=2 45 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(C)c(nc2=O)N 1P0034RH [0,1,0,0,0,0|1,0,1]=3 46 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(Cl)c(nc2=O)N 1P002R14 [0,1,0,0,0,0|2,0,1]=4 47 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(F)c(=O)[nH]c2=O 1P003N8J [0,1,0,0,0,0|1,0,0]=2 48 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(F)c(nc2=O)N 1P002NM6 [0,1,0,0,0,0|2,0,1]=4 49 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(I)c(=O)[nH]c2=O 1P0007TY [0,1,0,0,0,0|1,0,0]=2 50 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(I)c(nc2=O)N 1P000FJ5 [0,1,0,0,0,0|2,0,1]=4 51 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(O)c(=O)[nH]c2=O 1P006BG9 [0,1,0,0,0,0|1,0,0]=2 52 B19R2.3613666 OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n2cc(C)c(=O)[nH]c2=O 1P00FAVL [0,1,0,0,0,0|0,0,0]=1 53 B19R2.3613666 OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n2cc(I)c(=O)[nH]c2=O 1P0032Z1 [0,1,0,0,0,0|1,0,0]=2 54 B19R2.3613666 OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n2cc(I)c(nc2=O)N 1P00FCGN [0,1,0,0,0,0|2,0,1]=4 55 B19R2.3613666 OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n2cc(C)c(=O)[nH]c2=O 1P00E9BL [0,1,0,0,0,0|0,0,0]=1 56 B19R2.3613666 OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n2cc(I)c(=O)[nH]c2=O 1P0030VW [0,1,0,0,0,0|1,0,0]=2 57 B19R3.12958058 OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc3n2cc(C)c(=N)n3 1P00DJ3H [0,0,0,1,0,0|1,0,2]=4 58 B19R3.12958058 OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc3n2cc(C)c(=O)n3 1P00I4W3 [0,0,0,1,0,0|0,0,2]=3 59 B16R2.2335 Nc1ccn(c(=O)n1)[C@H]2CC[C@H](O2)CO 1P0059CP [2,0,0,0,0,0|1,0,1]=4 60 B16R2.2335 OC[C@@H]1CC[C@@H](O1)n2ccc(=O)[nH]c2=O 1P00IB2V [2,0,0,0,0,0|0,0,0]=2 61 B18R2.16852 IC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2ccc(=O)[nH]c2=O 1P009CW5 [1,1,0,0,0,0|1,0,0]=3 62 B18R2.16852 OC[C@@H]1O[C@@H]([C@@H]([C@H]1O)O)n2ccc(nc2=O)N 1P00ICCP [1,1,0,0,0,0|1,0,1]=4 63 B18R2.16852 OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n2ccc(=O)[nH]c2=O 1P002T23 [1,1,0,0,0,0|0,0,0]=2 64 B18R2.16852 OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n2ccc(nc2=O)N 1P002U19 [1,1,0,0,0,0|1,0,1]=4 65 B18R2.16852 OC[C@H]1O[C@@H]([C@@H]([C@@H]1O)O)n2ccc(=O)[nH]c2=O 1P00CL4X [1,1,0,0,0,0|0,0,0]=2 66 B18R2.16852 OC[C@H]1O[C@@H]([C@@H]([C@@H]1O)O)n2ccc(nc2=O)N 1P01XCVH [1,1,0,0,0,0|1,0,1]=4 67 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)n2ccc(=O)[nH]c2=O 1P00E9D1 [1,1,0,0,0,0|1,0,0]=3 68 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)Br)n2ccc(=O)[nH]c2=O 1P00DG3X [1,1,0,0,0,0|0,0,0]=2 69 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)Cl)n2ccc(=O)[nH]c2=O 1P00I94P [1,1,0,0,0,0|0,0,0]=2 70 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n2ccc(=O)[nH]c2=O 1P0036CH [1,1,0,0,0,0|0,0,0]=2 71 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n2ccc(nc2=O)N 1P00075D [1,1,0,0,0,0|1,0,1]=4 72 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n2ccc(nc2=O)N 1P0023RE [1,1,0,0,0,0|1,0,1]=4 73 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)N)n2ccc(=O)[nH]c2=O 1P00I5JU [1,1,0,0,0,0|0,0,0]=2 74 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2CCC(=O)NC2=O 1P00DIXM [1,1,0,0,0,0|0,0,2]=4 75 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c2c[nH]c(=O)[nH]c2=O 1P001K4C [1,1,0,0,0,0|2,0,0]=4 76 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2ccc(=O)[nH]c2=O 1P003693 [1,1,0,0,0,0|0,0,0]=2 77 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2ccc(=O)[nH]c2=S 1P0028NT [1,1,0,0,0,0|0,1,0]=3 78 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2ccc(=S)[nH]c2=O 1P001BR2 [1,1,0,0,0,0|0,1,0]=3 79 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2ccc(cc2=O)O 1P002MZ9 [1,1,0,0,0,0|1,0,1]=4 80 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2ccc(nc2=O)N 1P00354Z [1,1,0,0,0,0|1,0,1]=4 81 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2ccc(nc2=O)N 1P003PO3 [1,1,0,0,0,0|1,0,1]=4 82 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2ncc(=O)[nH]c2=O 1P003NJS [1,1,0,0,0,0|1,0,0]=3 83 B18R2.16852 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2ncc(=O)[nH]c2=S 1P007MDG [1,1,0,0,0,0|1,1,0]=4 84 B18R2.16852 OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n2ccc(=O)[nH]c2=O 1P005Y8C [1,1,0,0,0,0|0,0,0]=2 85 B18R2.16852 OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n2ccc(nc2=O)N 1P00EA3D [1,1,0,0,0,0|1,0,1]=4 86 B18R2.16852 OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n2ccc(=O)[nH]c2=O 1P0031W6 [1,1,0,0,0,0|0,0,0]=2 87 B18R2.16852 OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n2ccc(nc2=O)N 1P003552 [1,1,0,0,0,0|1,0,1]=4 88 B18R2.16852 OC[C@H]1O[C@H]([C@H]([C@H]1O)O)n2ccc(=O)[nH]c2=O 1P01XFI1 [1,1,0,0,0,0|0,0,0]=2 89 B18R2.66696 C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(F)c(=O)[nH]c2=O 1P00326V [1,1,0,0,0,0|1,0,0]=3 90 B20R2.1903572 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(C#C)c(=O)[nH]c2=O 1P00FBTH [0,2,0,0,0,0|0,0,1]=3 91 B20R2.1903572 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(CC)c(=O)[nH]c2=O 1P002QZ9 [0,2,0,0,0,0|0,0,0]=2 92 B20R2.1903572 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(CO)c(=O)[nH]c2=O 1P0030IN [0,2,0,0,0,0|0,0,0]=2 93 B20R2.1903572 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cc(OC)c(=O)[nH]c2=O 1P00C16M [0,2,0,0,0,0|0,0,0]=2 94 B20R2.3200064 Br\C=C\c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O 1P003P0J [0,2,0,0,0,0|0,0,1]=3 95 B20R2.2340265 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2c(=O)[nH]c(=O)c(c2[2H])[2H] 1P00C5VN [0,2,0,0,0,0|1,0,0]=3 96 B20R2.11267199 OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O 1P0030VJ [0,2,0,0,0,0|1,0,0]=3 97 B20R2.5521486 CO[C@@H]1[C@H](O)[C@H](O[C@H]1n2cc(C)c(=O)[nH]c2=O)CO 1P003ABX [0,2,0,0,0,0|0,0,0]=2 98 B20R2.5521486 CO[C@@H]1[C@H](O)[C@H](O[C@H]1n2cc(C)c(nc2=O)N)CO 1P000AG7 [0,2,0,0,0,0|1,0,1]=4 99 B20R2.5521486 CO[C@@H]1[C@H](O)[C@H](O[C@H]1n2cc(I)c(=O)[nH]c2=O)CO 1P00C12K [0,2,0,0,0,0|1,0,0]=3 100 B18R3.199977 OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc3n2ccc(=O)n3 1P003A2B [1,0,0,1,0,0|0,0,2]=4 101 B18R3.952164 O[C@@H]1[C@H]2CO[C@@H]1[C@@H](O2)n3ccc(nc3=O)N 1P0249BS [1,0,0,1,0,0|1,0,1]=4