0 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [0,0,0,0,0,0|0,0,0]=0 1 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [0,0,0,0,0,0|0,0,1]=1 2 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [1,0,0,0,0,0|1,0,0]=2 3 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [0,0,1,0,0,0|2,0,1]=4 4 B10R1.15 CCC(=O)c1ccccc1 I1E [0,0,1,0,0,0|2,0,1]=4 5 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [0,0,1,0,0,0|1,0,0]=2 6 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,0,1,0,0,0|1,0,1]=3 7 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,0,1,0,0,0|2,0,1]=4 8 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,0,1,0,0,0|2,0,1]=4 9 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [0,0,1,0,0,0|1,0,2]=4 10 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [0,0,1,0,0,0|1,0,2]=4 11 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [0,0,1,0,0,0|2,0,0]=3 12 B10R1.17 C=CCNc1ccccc1 NYL [0,0,1,0,0,0|2,0,1]=4 13 B10R1.17 CCCCc1ccccc1 N4B [0,0,1,0,0,0|1,0,0]=2 14 B10R1.17 c1ccc(cc1)CCC=O 3PL [0,0,1,0,0,0|1,0,1]=3 15 B10R1.17 c1ccc(cc1)CCCCl LT1 [0,0,1,0,0,0|1,0,0]=2 16 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [0,0,1,0,0,0|0,0,1]=2 17 B10R1.17 c1ccc(cc1)CNC=O BNF [0,0,1,0,0,0|2,0,1]=4 18 B10R1.17 c1ccc(cc1)CNC=S 9BE [0,0,1,0,0,0|2,0,1]=4 19 B10R1.17 c1ccc(cc1)COC=O BZO [0,0,1,0,0,0|2,0,1]=4 20 B10R1.17 c1ccc(cc1)COC=O CBZ [0,0,1,0,0,0|2,0,1]=4 21 B10R1.17 c1ccc(cc1)NCC#N 264 [0,0,1,0,0,0|1,0,2]=4 22 B10R1.17 c1ccc(cc1)OCCCl 258 [0,0,1,0,0,0|2,0,0]=3 23 B10R1.17 c1ccc(cc1)OCCO 268 [0,0,1,0,0,0|2,0,0]=3 24 B10R1.17 c1cnccc1NCCN 01R [0,0,1,0,0,0|2,0,0]=3 25 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.18 CC(C)Cc1ccccc1 I4B [0,0,1,0,0,0|1,0,0]=2 27 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [0,0,1,0,0,0|0,0,0]=1 28 B10R1.18 C[C@H](Cc1ccccc1)N FRD [0,0,1,0,0,0|0,0,0]=1 29 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,0,1,0,0,0|2,0,1]=4 31 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,0,1,0,0,0|2,0,1]=4 32 B10R1.18 c1ccc(cc1)NC(=S)N URS [0,0,1,0,0,0|2,0,1]=4 33 B9R1.6 CC(=O)c1ccccc1 AC0 [1,0,1,0,0,0|1,0,1]=4 34 B9R1.6 C[C@@H](c1ccccc1)N 98B [1,0,1,0,0,0|0,0,0]=2 35 B9R1.6 C[C@@H](c1ccccc1)O SS1 [1,0,1,0,0,0|1,0,0]=3 36 B9R1.6 C[C@H](c1ccccc1)N QSC [1,0,1,0,0,0|0,0,0]=2 37 B9R1.6 C[C@H](c1ccccc1)O SS2 [1,0,1,0,0,0|1,0,0]=3 38 B9R1.6 N=C(/c1ccccc1)\N BEN [1,0,1,0,0,0|1,0,1]=4 39 B9R1.6 c1ccc(cc1)C(=N)N BDN [1,0,1,0,0,0|1,0,1]=4 40 B9R1.6 c1ccc(cc1)C(=O)N UNU [1,0,1,0,0,0|1,0,1]=4 41 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [1,0,1,0,0,0|1,0,1]=4 42 B9R1.8 CCCc1ccccc1 3H0 [1,0,1,0,0,0|0,0,0]=2 43 B9R1.8 CCOc1ccccc1 16Q [1,0,1,0,0,0|1,0,0]=3 44 B9R1.8 CCSc1ccccc1 16M [1,0,1,0,0,0|1,0,0]=3 45 B9R1.8 CNCc1ccccc1 271 [1,0,1,0,0,0|1,0,0]=3 46 B9R1.8 CSCc1ccccc1 PTF [1,0,1,0,0,0|1,0,0]=3 47 B9R1.8 c1cc(cnc1)CCN 45X [1,0,1,0,0,0|1,0,0]=3 48 B9R1.8 c1ccc(cc1)CC=O HY1 [1,0,1,0,0,0|1,0,1]=4 49 B9R1.8 c1ccc(cc1)CCCl CEE [1,0,1,0,0,0|1,0,0]=3 50 B9R1.8 c1ccc(cc1)CCO PEL [1,0,1,0,0,0|1,0,0]=3 51 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [1,0,1,0,0,0|0,0,1]=3 52 B9R1.8 c1ccc(cc1)CNN BZZ [1,0,1,0,0,0|1,0,0]=3 53 B9R1.8 c1ccc(cc1)CON OBZ [1,0,1,0,0,0|1,0,0]=3 54 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O 269 [0,1,1,0,0,0|2,0,0]=4 55 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [0,1,1,0,0,0|1,0,1]=4 56 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,1,1,0,0,0|1,0,0]=3 57 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,1,1,0,0,0|1,0,0]=3 58 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,1,1,0,0,0|1,0,0]=3 59 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N NPU [0,1,1,0,0,0|1,0,0]=3 60 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,1,1,0,0,0|1,0,1]=4 61 B11R1.28 CCCCCc1ccccc1 3H2 [0,1,1,0,0,0|1,0,0]=3 62 B11R1.28 c1ccc(cc1)CCCCN PBN [0,1,1,0,0,0|0,0,0]=2 63 B11R1.28 c1ccc(cc1)CCNC=O EOA [0,1,1,0,0,0|1,0,1]=4 64 B11R1.28 c1ccc(cc1)CCNC=S LE2 [0,1,1,0,0,0|1,0,1]=4 65 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,1,1,0,0,0|1,0,0]=3 66 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,1,1,0,0,0|2,0,0]=4 67 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,1,1,0,0,0|1,0,1]=4 68 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,1,1,0,0,0|1,0,0]=3 69 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,1,1,0,0,0|1,0,0]=3 70 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,1,1,0,0,0|1,0,1]=4 71 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,1,1,0,0,0|1,0,1]=4 72 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,1,1,0,0,0|1,0,0]=3 73 B11R1.91 B(CCc1ccccc1)(O)O PBA [0,1,1,0,0,0|2,0,0]=4 74 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [0,1,1,0,0,0|0,0,0]=2 75 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,1,1,0,0,0|1,0,1]=4 76 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,1,1,0,0,0|1,0,1]=4 77 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [0,1,1,0,0,0|0,0,0]=2 78 B11R2.20 c1ccc2c(c1)CCNC2 2CK [0,0,1,1,0,0|2,0,0]=4 79 B11R2.10 C1=CC2=NC(N=C2C=C1)N 270 [0,0,1,1,0,0|2,0,0]=4 80 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [0,0,1,1,0,0|0,0,2]=4 81 B11R2.10 c1ccc2c(c1)CC(C2)N XM0 [0,0,1,1,0,0|0,0,0]=2