0 B11R1.28 CCCCCc1ccccc1 3H2 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.28 c1ccc(cc1)CCCCN PBN [1,0,0,0,0,0|2,0,1]=4 2 B11R1.91 CC(=O)OCc1ccccc1 J0Z [1,0,0,0,0,0|0,0,0]=1 3 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [1,0,0,0,0,0|2,0,1]=4 4 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,0,0,0,0,0|2,0,0]=3 6 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [1,0,0,0,0,0|1,0,0]=2 8 B11R1.91 c1ccc(cc1)COC(=O)O BGG [1,0,0,0,0,0|1,0,0]=2 9 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N 0A9 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O OPH [0,1,0,0,0,0|2,0,0]=3 14 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N PCS [0,1,0,0,0,0|2,0,0]=3 15 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N PHM [0,1,0,0,0,0|2,0,0]=3 16 B13R2.32 CN1c2ccccc2C=CC1=O 12Q [0,0,0,1,0,0|2,0,1]=4 17 B13R2.32 CN1c2ccccc2NCC1=O 5QX [0,0,0,1,0,0|3,0,0]=4 18 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,0,0,0,1,0|1,0,1]=3 19 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,0,0,0,1,0|2,0,1]=4 20 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,0,0,0,1,0|2,0,1]=4 21 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,0,0,0,1,0|1,0,2]=4 22 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,0,0,0,1,0|2,0,1]=4 23 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,0,0,0,1,0|3,0,0]=4 24 B10R1.17 CCCCc1ccccc1 N4B [2,0,0,0,0,0|0,0,1]=3 25 B10R1.17 c1ccc(cc1)CCC=O 3PL [2,0,0,0,0,0|1,0,0]=3 26 B10R1.17 c1ccc(cc1)CCCCl LT1 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [2,0,0,0,0,0|1,0,1]=4 28 B10R1.17 c1ccc(cc1)CNC=O BNF [2,0,0,0,0,0|1,0,0]=3 29 B10R1.17 c1ccc(cc1)CNC=S 9BE [2,0,0,0,0,0|1,1,0]=4 30 B10R1.17 c1ccc(cc1)COC=O BZO [2,0,0,0,0,0|0,0,0]=2 31 B10R1.17 c1ccc(cc1)COC=O CBZ [2,0,0,0,0,0|0,0,0]=2 32 B10R1.17 c1ccc(cc1)OCCCl 258 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.17 c1ccc(cc1)OCCO 268 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.8 CCCCCCc1ccccc1 3GZ [1,1,0,0,0,0|1,0,1]=4 35 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [1,1,0,0,0,0|2,0,0]=4 36 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [1,1,0,0,0,0|2,0,0]=4 37 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [1,1,0,0,0,0|2,0,0]=4 38 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [1,1,0,0,0,0|2,0,0]=4 39 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [1,1,0,0,0,0|2,0,0]=4 40 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [1,1,0,0,0,0|2,0,0]=4 41 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [1,1,0,0,0,0|1,0,0]=3 42 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [1,1,0,0,0,0|2,0,0]=4 43 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [1,1,0,0,0,0|2,0,0]=4 44 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [1,1,0,0,0,0|2,0,0]=4 45 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [1,1,0,0,0,0|2,0,0]=4 46 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [1,1,0,0,0,0|2,0,0]=4 48 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [1,1,0,0,0,0|2,0,0]=4 49 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [1,1,0,0,0,0|2,0,0]=4 50 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [1,1,0,0,0,0|2,0,0]=4 51 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [1,1,0,0,0,0|2,0,0]=4 52 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [1,1,0,0,0,0|2,0,0]=4 53 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [1,1,0,0,0,0|2,0,0]=4 55 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [1,1,0,0,0,0|2,0,0]=4 57 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [1,1,0,0,0,0|2,0,0]=4 59 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [1,1,0,0,0,0|2,0,0]=4 60 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [1,1,0,0,0,0|2,0,0]=4 61 B12R1.49 c1cc(ccc1CC(=O)NN)F 45Y [0,1,0,0,1,0|2,0,0]=4 62 B14R1.15 CC\C(=C/Cc1cccc(c1O)O)\C 6PP [0,2,0,0,0,0|2,0,0]=4 63 B14R1.156 c1ccc(cc1)COC(=O)NCC#N 3S9 [0,2,0,0,0,0|0,0,1]=3 64 B14R1.19598 c1cc(c(c(c1)Cl)CNC(=O)CO)Cl 5QA [0,2,0,0,0,0|2,0,0]=4 65 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 96B [1,0,0,1,0,0|1,0,1]=4 66 B12R2.1081 C[C@@H]1c2ccccc2CCN1 YLG [1,0,0,1,0,0|2,0,0]=4 67 B12R2.18 CC1=C2C=COC=C2OC1=O KKN [0,0,0,1,1,0|1,0,1]=4 68 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,0,0,0,1,0|0,0,0]=2 69 B10R1.18 CC(C)Cc1ccccc1 I4B [1,0,0,0,1,0|1,0,1]=4 70 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [1,0,0,0,1,0|1,0,1]=4 71 B10R1.18 C[C@H](Cc1ccccc1)N FRD [1,0,0,0,1,0|1,0,1]=4 72 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,0,0,0,1,0|1,0,0]=3 73 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,0,0,0,1,0|2,0,0]=4 74 B10R1.15 CCC(=O)c1ccccc1 I1E [0,0,0,0,2,0|0,0,0]=2 75 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [0,0,0,0,2,0|1,0,1]=4 76 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,0,0,0,2,0|1,0,0]=3 77 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,0,0,0,2,0|2,0,0]=4 78 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,0,0,0,2,0|2,0,0]=4