0 B11R1.35 N[C@@H](Cc1c[nH]cn1)C(O)=O T2A2532 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.35 N[C@@H](Cc1c[nH]cn1)C(O)=O T32080 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.35 N[C@@H](Cc1c[nH]cn1)C(O)=O T32735 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.35 N[C@@H](Cc1c[nH]cn1)C(O)=O T4826 [0,0,0,0,0,0|0,0,2]=2 4 B11R1.35 N[C@@H](Cc1cscn1)C(O)=O T20138 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.27 N[C@H](CO)Cc1c[nH]cn1 T4899 [1,0,0,0,0,0|0,0,3]=4 6 B10R1.66 OC(=O)/C=C\c1cnc[nH]1 T10824 [1,0,0,0,0,0|0,0,2]=3 7 B10R1.66 OC(=O)CCc1c[nH]cn1 T9494 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.66 OC(=O)CCc1ccc[nH]1 T21185 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.104 Cn1cnc(C[C@H](N)C(O)=O)c1 T4934 [0,1,0,0,0,0|0,0,2]=3 10 B12R1.104 N[C@@H](Cc1c[nH]c(I)n1)C(O)=O T24974 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.108 COC(=O)[C@@H](N)Cc1c[nH]cn1 T3937 [0,1,0,0,0,0|0,0,2]=3 12 B12R1.145 Cn1cncc1C[C@H](N)C(O)=O T8274 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.298 NNC(Cc1c[nH]cn1)C(O)=O T33440 [0,1,0,0,0,0|0,0,2]=3 14 B10R1.23 NC(C(O)=O)c1nnn[nH]1 T16801 [0,0,0,0,1,0|2,0,0]=3 15 B10R1.23 N[C@H](C(O)=O)c1ccsc1 T38311 [0,0,0,0,1,0|2,0,0]=3 16 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,0,0,0,0,1|2,0,0]=3 17 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,0,0,0,0,1|2,0,0]=3 18 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,0,0,0,0,1|3,0,0]=4 19 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,0,0,0,0,1|3,0,0]=4 20 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,0,0,0,0,1|3,0,0]=4 21 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,0,0,0,0,1|2,0,0]=3 22 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,0,0,0,0,1|2,0,0]=3 23 B9R0.47 C/C=C/SC[C@H](N)C(O)=O T12789 [1,0,1,0,0,0|2,0,0]=4 24 B9R0.47 N[C@@H](CCSC=C)C(O)=O T35061 [1,0,1,0,0,0|1,0,1]=4 25 B9R0.47 OC(=O)[C@@H](N)CSCC=C T2772 [1,0,1,0,0,0|2,0,0]=4 26 B9R1.13 C[C@@H](N)Cc1cnc[nH]1 T12630 [2,0,0,0,0,0|0,0,1]=3 27 B9R1.13 OC(=O)Cc1cnc[nH]1 T4753 [2,0,0,0,0,0|1,0,1]=4 28 B11R0.29 NC(CCCN=C(N)N)C(O)=O T19288 [0,1,1,0,0,0|0,0,2]=4 29 B11R1.75 Cc1nnc(SCC(O)=O)[nH]1 T21398 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.314 NC(C(O)=O)c1cc(O)no1 TQ0279 [0,1,0,0,1,0|2,0,0]=4 31 B13R1.133 C(=O)([C@@H](N)Cc1ccc(O)cc1)O T0493 [0,1,0,0,0,1|2,0,0]=4 32 B13R1.133 NC(Cc1ccc(Cl)cc1)C(O)=O T1447 [0,1,0,0,0,1|2,0,0]=4 33 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T19725 [0,1,0,0,0,1|2,0,0]=4 34 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T41274 [0,1,0,0,0,1|2,0,0]=4 35 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(O)=O TN1596 [0,1,0,0,0,1|2,0,0]=4 36 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(O)=O TN1545 [0,1,0,0,0,1|2,0,0]=4 37 B13R1.148 NC(Cc1cccc(O)c1)C(O)=O T13654 [0,1,0,0,0,1|2,0,0]=4 38 B13R1.148 N[C@@H](Cc1cccc(F)c1)C(O)=O T21181 [0,1,0,0,0,1|2,0,0]=4 39 B13R1.148 N[C@@H](Cc1cccc(O)c1)C(O)=O T19922 [0,1,0,0,0,1|2,0,0]=4 40 B13R1.202 NC(Cc1ccccc1O)C(O)=O T1695 [0,1,0,0,0,1|2,0,0]=4 41 B13R1.7553 Cc1onc(O)c1C[C@H](N)C(O)=O T21271 [0,2,0,0,0,0|2,0,0]=4 42 B13R1.7553 Cn1cnc(S)c1C[C@H](N)C(O)=O T33832 [0,2,0,0,0,0|0,0,0]=2 43 B13R1.5639 N[C@@](CF)(Cc1cnc[nH]1)C(O)=O T26374 [0,2,0,0,0,0|0,0,0]=2 44 B11R1.74 OC(=O)C1CC(=O)NC(=O)N1 T32116 [0,0,1,1,0,0|2,0,0]=4 45 B11R1.74 OC(=O)[C@@H]1CC(=O)NC(=O)N1 T4880 [0,0,1,1,0,0|2,0,0]=4 46 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,0,0,0,1|2,0,0]=4 47 B11R1.172 NC(=N)SCCc1cnc[nH]1 T15565 [1,0,0,0,0,1|2,0,0]=4