0 B6R0.3 CC(C)[C@@H](CO)N VOL [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CCC(=O)C(=O)O 2KT [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 C[C@@H](C(=O)NO)N HMA [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 C[C@@H](C(=O)OC)N MA [0,0,0,0,0,0|1,0,0]=1 7 B5R0.1 CC(C)CCN LEN [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC(C)CCO IP3 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 C(C(=O)CCl)Cl CHM [1,0,0,0,0,0|3,0,0]=4 10 B5R0.3 C(C(=O)CO)O 2HA [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 CCC(CC)N D0M [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 CNC(=O)NC MMU [1,0,0,0,0,0|2,0,0]=3 13 B5R0.3 COC(=O)CN MEU [1,0,0,0,0,0|1,0,0]=2 14 B5R0.5 B([C@H](C)N)(O)O B2A [1,0,0,0,0,0|2,0,1]=4 15 B5R0.5 C(=O)(C(=O)O)N OXM [1,0,0,0,0,0|2,0,1]=4 16 B5R0.5 C(=O)(C(=O)O)O OXD [1,0,0,0,0,0|2,0,1]=4 17 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.5 C=C(C(=O)O)N DHA [1,0,0,0,0,0|1,0,2]=4 19 B5R0.5 CC(=O)C(=O)N PYM [1,0,0,0,0,0|2,0,1]=4 20 B5R0.5 CC(=O)C(=O)O PYR [1,0,0,0,0,0|1,0,1]=3 21 B5R0.5 CC(=O)N(C)C 5Y9 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [1,0,0,0,0,0|1,0,2]=4 23 B5R0.5 CC(C)C(=O)N IBO [1,0,0,0,0,0|1,0,0]=2 24 B5R0.5 CC(C)C(=O)O ALQ [1,0,0,0,0,0|0,0,0]=1 25 B5R0.5 CC(C)C(=O)O ISB [1,0,0,0,0,0|0,0,0]=1 26 B5R0.5 CC(C)[C@@H](C)N CDE [1,0,0,0,0,0|1,0,1]=3 27 B5R0.5 CC(C)[N+](=O)[O-] NIS [1,0,0,0,0,0|1,0,1]=3 28 B5R0.5 C[C@@H](C(=O)C)N ALM [1,0,0,0,0,0|1,0,0]=2 29 B5R0.5 C[C@@H](C(=O)C)O HBS [1,0,0,0,0,0|1,0,0]=2 30 B5R0.5 C[C@@H](C(=O)N)N 66N [1,0,0,0,0,0|2,0,0]=3 31 B5R0.5 C[C@@H](C(=O)O)Cl CNR [1,0,0,0,0,0|1,0,0]=2 32 B5R0.5 C[C@@H](C(=O)O)N ALA [1,0,0,0,0,0|1,0,0]=2 33 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [1,0,0,0,0,0|1,0,0]=2 34 B5R0.5 C[C@@H](C(=O)O)O 2OP [1,0,0,0,0,0|1,0,0]=2 35 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [1,0,0,0,0,0|1,0,0]=2 36 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [1,0,0,0,0,0|1,0,1]=3 38 B5R0.5 C[C@@H](C(=S)O)N ALT [1,0,0,0,0,0|1,1,0]=3 39 B5R0.5 C[C@@H](C(O)O)N ALV [1,0,0,0,0,0|1,0,2]=4 40 B5R0.5 C[C@@H]([C@H](C)O)O BUD [1,0,0,0,0,0|1,0,2]=4 41 B5R0.5 C[C@H](C(=O)C)O HBR [1,0,0,0,0,0|1,0,0]=2 42 B5R0.5 C[C@H](C(=O)O)F 4LT [1,0,0,0,0,0|1,0,0]=2 43 B5R0.5 C[C@H](C(=O)O)N DAL [1,0,0,0,0,0|1,0,0]=2 44 B5R0.5 C[C@H](C(=O)O)O DLA [1,0,0,0,0,0|1,0,0]=2 45 B5R0.5 C[C@H](C(=O)O)O LAC [1,0,0,0,0,0|1,0,0]=2 46 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.5 C[C@H]([C@H](C)O)O BU9 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.5 [C@H](C(=O)O)(N)O HGY [1,0,0,0,0,0|2,0,0]=3 49 B7R0.5 CCO[P@H](=O)N(C)C NTJ [0,1,0,0,0,0|2,0,0]=3 50 B7R0.10 C([C@@H](C(=O)CO)O)O LER [0,1,0,0,0,0|3,0,0]=4 51 B7R0.10 C=CC(=O)[C@H](CO)N KIK [0,1,0,0,0,0|2,0,1]=4 52 B7R0.10 COC(=O)C(=C)CO 23W [0,1,0,0,0,0|0,0,2]=3 53 B7R0.10 COC(=O)[C@H](CO)N 5R5 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.10 COC(=O)[C@H](CS)N CMT [0,1,0,0,0,0|1,0,0]=2 55 B7R0.13 CC(=O)[P@](=O)(O)OC ALU [0,1,0,0,0,0|2,0,1]=4 56 B7R0.13 C[C@H](O)[P](O)(O)OC ALK [0,1,0,0,0,0|2,0,1]=4 57 B7R0.14 CC(C)(C)C(=O)NC BAE [0,1,0,0,0,0|1,0,0]=2 58 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,0,0|2,0,0]=3 59 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,0,0|2,0,1]=4 60 B7R1.4 C1COC(=O)[C@H]1N HSL [0,0,0,1,0,0|1,0,0]=2 61 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [0,0,0,1,0,0|3,0,0]=4 62 B7R1.4 CN1CCCC1=O MB3 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.4 CN1CCOC1=O 3MO [0,0,0,1,0,0|1,0,0]=2 64 B7R0.2 CC(C)NC(=N)NO IHG [0,0,0,0,0,1|3,0,0]=4 65 B4R0.1 B(CC)(O)O 3QD [2,0,0,0,0,0|1,0,1]=4 66 B4R0.1 C(=O)C(=O)O GLV [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 C(C(=O)N)F FTM [2,0,0,0,0,0|2,0,0]=4 68 B4R0.1 C(C(=O)N)N GM1 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 C(C(=O)O)Br BRM [2,0,0,0,0,0|1,0,0]=3 70 B4R0.1 C(C(=O)O)Br BXA [2,0,0,0,0,0|1,0,0]=3 71 B4R0.1 C(C(=O)O)Cl R3W [2,0,0,0,0,0|1,0,0]=3 72 B4R0.1 C(C(=O)O)F FAH [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 C(C(=O)O)I 04E [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 C(C(=O)O)N GLY [2,0,0,0,0,0|1,0,0]=3 75 B4R0.1 C(C(=O)O)N GLY_LFOH [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 C(C(=O)O)O GOA [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 C(C(=O)O)S MCR [2,0,0,0,0,0|1,0,0]=3 78 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [2,0,0,0,0,0|1,0,0]=3 79 B4R0.1 C(C(=O)S)N GL3 [2,0,0,0,0,0|1,1,0]=4 80 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [2,0,0,0,0,0|1,0,1]=4 81 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [2,0,0,0,0,0|1,0,1]=4 82 B4R0.1 C=CC(=O)O AKR [2,0,0,0,0,0|0,0,2]=4 83 B4R0.1 CC(=C)CN IRS [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 CC(=O)C=O PVL [2,0,0,0,0,0|1,0,1]=4 85 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,0]=3 87 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|1,0,0]=3 90 B4R0.1 CC(=O)NO HAE [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 CC(=O)OO F50 [2,0,0,0,0,0|1,0,0]=3 92 B4R0.1 CC(=O)O[Hg+] MAC [2,0,0,0,0,0|1,0,0]=3 93 B4R0.1 CC(C)C=O 5OZ [2,0,0,0,0,0|0,0,0]=2 94 B4R0.1 CC(C)CN IBN [2,0,0,0,0,0|1,0,1]=4 95 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|0,0,1]=3 96 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,0]=3 97 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|0,0,0]=2 98 B4R0.1 CC[C@H](C)O SBT [2,0,0,0,0,0|0,0,2]=4 99 B4R0.1 CC[N+](=O)[O-] NIE [2,0,0,0,0,0|1,0,1]=4 100 B4R0.1 CN(C)C=O DMF [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 CN(C)[Zn]O DOZ [2,0,0,0,0,0|2,0,0]=4 102 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|1,0,0]=3 104 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|1,0,0]=3 105 B4R0.1 C[C@@H](C=O)N 5XU [2,0,0,0,0,0|1,0,0]=3 106 B4R0.1 C[C@@H](CO)N 2A1 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.1 C[C@@H](CO)O PGO [2,0,0,0,0,0|1,0,1]=4 108 B4R0.1 C[C@@H](CO)O PGQ [2,0,0,0,0,0|1,0,1]=4 109 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [2,0,0,0,0,0|1,0,1]=4 110 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [2,0,0,0,0,0|1,0,1]=4 111 B4R0.1 C[C@H](CO)N 2A3 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.1 C[C@H](CO)O HP3 [2,0,0,0,0,0|1,0,1]=4 113 B4R0.1 C[C@H](CO)O PGR [2,0,0,0,0,0|1,0,1]=4 114 B4R0.2 CC/C=N\O PXO [2,0,0,0,0,0|2,0,0]=4 115 B4R0.2 CCCCC LNK [2,0,0,0,0,0|1,0,1]=4 116 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|2,0,0]=4 117 B4R0.2 COCCO MXE [2,0,0,0,0,0|1,0,1]=4 118 B4R0.2 COCC[O-] MOE [2,0,0,0,0,0|1,0,1]=4 119 B6R0.1 CCS[C@H](C)SC 0AJ [1,1,0,0,0,0|2,0,0]=4 120 B6R0.2 CC(C)C[C@@H](C)N 2LU [1,1,0,0,0,0|1,0,1]=4 121 B6R0.7 C(=O)(C(F)(F)Br)O FPA [1,1,0,0,0,0|2,0,0]=4 122 B6R0.7 C(=O)(C(F)(F)F)O TFA [1,1,0,0,0,0|2,0,0]=4 123 B6R0.7 CC(C)(C(=O)O)Br B2P [1,1,0,0,0,0|0,0,0]=2 124 B6R0.7 CC(C)(C(=O)O)N AIB [1,1,0,0,0,0|0,0,0]=2 125 B6R0.7 CC(C)(C)C(=O)N TAY [1,1,0,0,0,0|1,0,0]=3 126 B6R0.7 CC(C)(C)C(=O)O PIV [1,1,0,0,0,0|0,0,0]=2 127 B6R0.7 CN(C)S(=O)(=O)O MAS [1,1,0,0,0,0|2,0,0]=4 128 B6R0.7 C[C@H](C(C)(C)C)N 00D [1,1,0,0,0,0|1,0,1]=4 129 B6R0.7 C[C@H](N)P(=O)(O)O GG7 [1,1,0,0,0,0|2,0,0]=4 130 B8R0.2 CC(C)[C@@H](C(=O)OC)N 0AA [0,1,0,0,0,1|0,0,0]=2 131 B8R0.2 CC(C)[C@@H](C(=O)OC)N VME [0,1,0,0,0,1|0,0,0]=2 132 B8R0.2 CC(C)[C@H](C(=O)NO)N HAV [0,1,0,0,0,1|2,0,0]=4 133 B8R0.5 CCOC(=O)CC(=O)C EAC [0,1,0,0,0,1|1,0,1]=4 134 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,1,0,0,0,1|2,0,0]=4 135 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,1,0,0,0,1|2,0,0]=4 136 B8R0.18 CC(C)[C@@H](C(=O)N)NC MNV [0,2,0,0,0,0|1,0,1]=4 137 B8R0.18 CC(C)[C@@H](C(=O)O)NC MVA [0,2,0,0,0,0|1,0,1]=4 138 B8R0.18 CC(C)[C@H](C(=O)O)NC MV9 [0,2,0,0,0,0|1,0,1]=4 139 B6R1.3 COCC1CC1 09U [1,0,0,1,0,0|0,0,1]=3 140 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,0,0,1,0,1|2,0,0]=4 141 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,1,0,1,0,0|2,0,0]=4