0 B11R1.35 CC(CN1C=CC=N1)C(=O)O CBR00373 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.35 N1C=NC(=C1)CC(=O)C(=O)O S785539 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.35 NC(CC1=CNC=N1)C(=O)O S580945 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O CDS005041 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O CDS005165 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.35 O=C(O)C(=S)CC1=CC=CO1 R787000 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.66 O=C(O)CCC1=CON=C1 CDS008176 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.66 O=C(O)CCN1C=CC=N1 CBR00771 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.66 O=C(O)CCN1C=CN=C1 CDS007822 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.66 O=C(O)CCN1C=NN=N1 CBR00437 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O CDS006825 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 CDS003872 [0,1,0,0,0,0|0,0,2]=3 12 B12R1.120 [C@@H](N)(C(=O)O)C(O)C1=CC=CS1 S445967 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,0,0,0,0,1|1,0,1]=3 14 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,0,0,0,0,1|1,0,0]=2 15 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,0,0,0,0,1|2,0,0]=3 16 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,0,0,0,0,1|3,0,0]=4 17 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.25 COC(=O)CCC1=CC=CN1 CDS005344 [1,1,0,0,0,0|1,0,0]=3 19 B11R1.75 CC1=NOC(=N1)CCC(=O)O T317187 [1,1,0,0,0,0|1,0,1]=4 20 B11R1.75 CN1C=C(C=N1)CCC(=O)O T312622 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.75 NC1=NC(=CS1)CCC(=O)O CBR00812 [1,1,0,0,0,0|1,0,1]=4 22 B11R1.75 NC1=NC=C(S1)CCC(=O)O CDS024310 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.75 O=C(O)CCC1=CC(=NO1)Cl CBR00339 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.77 NC(CC(=O)O)C1=CC=CO1 PH003730 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.77 NC(CC(=O)O)C1=CC=CS1 PH003731 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.90 CC1=C(SC=N1)CCC(=O)O CBR00359 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.298 CNC(C(=O)O)C1=CC=CS1 CBR00942 [0,1,0,0,1,0|2,0,0]=4 28 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [0,1,0,0,0,1|2,0,0]=4 29 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [0,1,0,0,0,1|1,0,1]=4 30 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,0,0,0,1|2,0,0]=4 31 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [0,1,0,0,0,1|1,0,1]=4 32 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,0,0,0,1|2,0,0]=4 33 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [0,1,0,0,0,1|1,0,0]=3 34 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 S914851 [0,1,0,0,0,1|2,0,0]=4 35 B13R1.152 NC(C(=O)O)C(O)C1=CN=CC=C1 S914975 [0,1,0,0,0,1|1,0,0]=3 36 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O R410985 [0,1,0,0,0,1|2,0,0]=4 37 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O R262129 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.74 O=C1CC(NC(=O)N1)C(=O)O S941646 [0,0,1,1,0,0|2,0,0]=4 39 B11R1.74 O=C1CC(NC(=S)N1)C(=O)O PH008666 [0,0,1,1,0,0|2,0,0]=4 40 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,0,1|1,0,0]=3 41 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [1,0,0,0,0,1|1,0,1]=4 42 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [1,0,0,0,0,1|0,0,1]=3 43 B11R1.172 CC(=O)NCCC1=CN=CN1 R269115 [1,0,0,0,0,1|1,0,0]=3 44 B11R1.172 O=C(O)CCCC1=CNN=C1 CBR00132 [1,0,0,0,0,1|2,0,0]=4 45 B11R1.172 O=C(O)CCCN1C=NC=N1 CBR00744 [1,0,0,0,0,1|1,0,1]=4