0 B10R1.66 c1c(scn1)COC(=O)O 013 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.66 c1cc(oc1)CCC(=O)O 6O5 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.12 c1cc(oc1)C\N=C/S 31E [1,0,0,0,0,0|1,1,0]=3 3 B11R1.35 c1c([nH+]c[n-]1)C[C@@H](C(=O)O)N HIS_LFOH_DHE2 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.35 c1c([nH+]c[n-]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H_DHE2 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.35 c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2_DHE2 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.35 c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW_DHE2 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.35 c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N HIS [0,1,0,0,0,0|3,0,0]=4 8 B11R1.35 c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N HIS_LFOH [0,1,0,0,0,0|3,0,0]=4 9 B11R1.35 c1c([nH+]c[nH]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H [0,1,0,0,0,0|3,0,0]=4 10 B11R1.35 c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.35 c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW [0,1,0,0,0,0|3,0,0]=4 12 B11R1.35 c1c([nH+]c[nH]1)C[C@H](C(=O)O)N DHI [0,1,0,0,0,0|3,0,0]=4 13 B11R1.35 c1c([nH]cn1)C[C@@H](C(=O)N)N HIA [0,1,0,0,0,0|3,0,0]=4 14 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)O)N HIS_LFOH_DHD1 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H_DHD1 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2_DHD1 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW_DHD1 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.35 c1cc(sc1)C[C@@H](C(=O)O)N TIH [0,1,0,0,0,0|1,1,0]=3 19 B9R1.13 c1cc(sc1)CC(=O)O SPA [0,0,0,0,1,0|1,1,0]=3 20 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,0,0,0,0,1|2,0,0]=3 21 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [0,0,0,0,0,1|2,0,1]=4 22 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,0,0,0,0,1|2,0,0]=3 23 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,0,0,0,0,1|3,0,0]=4 24 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [0,0,0,0,0,1|3,0,0]=4 25 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,0,0,0,0,1|3,0,0]=4 26 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,0,0,0,0,1|3,0,0]=4 28 B11R1.172 CC(=O)NCCc1c[nH]cn1 AHN [0,0,0,0,0,1|2,0,0]=3 29 B11R1.172 c1cc(oc1)CCOC(=O)O FU0 [0,0,0,0,0,1|1,0,0]=2 30 B11R1.172 c1cc(sc1)CCCC(=O)O 4TB [0,0,0,0,0,1|1,1,0]=3 31 B8R1.8 c1cc(oc1)CCN 56T [2,0,0,0,0,0|1,0,0]=3 32 B10R1.27 c1c([nH+]c[nH]1)C[C@@H](C=O)N HSV [1,1,0,0,0,0|2,0,0]=4 33 B10R1.54 C1=CC(=O)O[C@H]1CC(=O)O MUC [0,1,0,0,1,0|1,0,1]=4 34 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,1,0,0,0,1|2,0,0]=4 35 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [0,1,0,0,0,1|2,0,0]=4 36 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [0,1,0,0,0,1|2,0,0]=4 37 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,1,0,0,0,1|2,0,0]=4 38 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,1,0,0,0,1|2,0,0]=4 39 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,1,0,0,0,1|2,0,0]=4 40 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [0,1,0,0,0,1|1,0,0]=3 41 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,1,0,0,0,1|2,0,0]=4 42 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N 1MH [0,1,0,0,0,1|2,0,0]=4 43 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,1,0,0,0,1|2,0,0]=4 44 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,1,0,0,0,1|2,0,0]=4 46 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,1,0,0,0,1|2,0,0]=4 47 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,1,0,0,0,1|2,0,0]=4 48 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,1,0,0,0,1|2,0,0]=4 49 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,1,0,0,0,1|2,0,0]=4 50 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,1,0,0,0,1|2,0,0]=4 51 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [0,1,0,0,0,1|2,0,0]=4 53 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,1,0,0,0,1|2,0,0]=4 55 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [0,1,0,0,0,1|2,0,0]=4 57 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [0,1,0,0,0,1|2,0,0]=4 58 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [0,1,0,0,0,1|2,0,0]=4 59 B12R1.108 COC(=O)[C@H](Cc1c[nH]c[nH+]1)N PVH [0,2,0,0,0,0|2,0,0]=4 60 B12R1.104 c1cc(sc1C[C@@H](C(=O)O)N)Br 33W [0,2,0,0,0,0|1,1,0]=4 61 B10R1.113 CC(=O)c1cccc(c1)O 53C [0,0,1,1,0,0|0,0,2]=4 62 B10R2.7 c1c[nH]c2c1CCCC2 JZ9 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [0,0,0,0,2,0|2,0,0]=4 64 B8R1.7 c1cc(oc1)C(=O)O FOA [0,0,0,0,2,0|1,0,0]=3 65 B8R1.7 c1cc(sc1)C(=O)O C21 [0,0,0,0,2,0|1,1,0]=4 66 B10R1.17 CCCCc1ccccc1 N4B [1,0,0,0,0,1|1,0,1]=4 67 B10R1.17 c1ccc(cc1)CCC=O 3PL [1,0,0,0,0,1|1,0,0]=3 68 B10R1.17 c1ccc(cc1)CNC=O BNF [1,0,0,0,0,1|2,0,0]=4 69 B10R1.17 c1ccc(cc1)COC=O BZO [1,0,0,0,0,1|2,0,0]=4 70 B10R1.17 c1ccc(cc1)COC=O CBZ [1,0,0,0,0,1|2,0,0]=4 71 B12R1.252 CC(=O)NCCc1ccccc1 54W [0,0,0,0,0,2|1,0,0]=3 72 B12R1.252 c1ccc(cc1)CCCC(=O)O CLT [0,0,0,0,0,2|2,0,0]=4 73 B12R1.252 c1ccc(cc1)CNCC(=O)O 04Q [0,0,0,0,0,2|2,0,0]=4