0 B6R0.5 C(C=O)P(=O)(O)O POA [0,0,0,0,0,0|1,1,2]=4 1 B6R0.5 C(CP(=O)(O)O)N P7I [0,0,0,0,0,0|2,0,1]=3 2 B6R0.5 C(CP(=O)(O)O)O 2HE [0,0,0,0,0,0|1,1,1]=3 3 B6R0.5 C(CS(=O)(=O)O)N TAU [0,0,0,0,0,0|1,0,0]=1 4 B6R0.5 C(CS(=O)(=O)O)S COM [0,0,0,0,0,0|0,0,0]=0 5 B6R0.5 C=CCP(=O)(O)O 57H [0,0,0,0,0,0|2,0,2]=4 6 B6R0.5 CCNP(=O)(O)O TCX [0,0,0,0,0,0|3,0,1]=4 7 B6R0.5 CCOP(=O)(O)O EFS [0,0,0,0,0,0|3,0,1]=4 8 B6R0.5 CCO[P@](=O)(C)O VX [0,0,0,0,0,0|4,0,0]=4 9 B6R0.5 C[N+](C)(C)CCS ETM [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C(C(=O)O)ON AOA [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 C(CN)C(=O)O BAL [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 C(CO)C(=O)O 3OH [1,0,0,0,0,0|1,1,0]=3 13 B5R0.1 C(CS)C(=O)O MPT [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 C(C[SeH])C(=O)O SLP [1,0,0,0,0,0|1,1,0]=3 15 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|2,1,0]=4 16 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CCCC(=O)N BMD [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CCCC(=O)O BUA [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CCC[N+](=O)[O-] N1P [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCOC(=O)O 01F [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CCO[P@H](=O)O ATJ [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CNCC(=O)O MGY [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CNCC(=O)O SAR [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 C[C@@H](CCO)O BU2 [1,0,0,0,0,0|2,1,0]=4 25 B5R0.1 C[C@H](CCO)O BU4 [1,0,0,0,0,0|2,1,0]=4 26 B5R0.4 C(N)P(=O)(O)O PGL [1,0,0,0,0,0|2,0,1]=4 27 B5R0.4 C(P(=O)([O-])[O-])S MMQ [1,0,0,0,0,0|1,0,2]=4 28 B5R0.4 C=CS(=O)(=O)O VSO [1,0,0,0,0,0|0,0,2]=3 29 B5R0.4 CCS(=O)(=O)O ESA [1,0,0,0,0,0|0,0,0]=1 30 B5R0.4 COP(=O)(O)O KOP [1,0,0,0,0,0|2,0,1]=4 31 B5R0.4 CSS(=O)(=O)C Z22 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.4 NOS(=O)(=O)N 4J3 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.4 NS(=O)(=O)NO HSW [1,0,0,0,0,0|2,1,0]=4 34 B7R0.8 C(CN)CS(=O)(=O)O A20 [0,1,0,0,0,0|1,0,0]=2 35 B7R0.8 C(CO)CS(=O)(=O)O 54O [0,1,0,0,0,0|0,1,0]=2 36 B7R0.8 C(COP(=O)(O)O)N OPE [0,1,0,0,0,0|2,0,1]=4 37 B7R0.8 CCCCP(=O)(O)O CCP [0,1,0,0,0,0|2,0,1]=4 38 B7R0.9 C(C(=O)O)S(=O)(=O)O SAT [0,1,0,0,0,0|0,1,1]=3 39 B7R0.9 CC(=O)OS(=O)(=O)O AS8 [0,1,0,0,0,0|1,1,1]=4 40 B7R0.9 C[C@@H](CP(=O)(O)O)O S0H [0,1,0,0,0,0|1,1,1]=4 41 B7R0.9 C[C@H](CP(=O)(O)O)O TB6 [0,1,0,0,0,0|1,1,1]=4 42 B7R0.14 C([C@H](O)P(=O)(O)O)N ODV [0,1,0,0,0,0|2,0,1]=4 43 B7R0.14 CC[C@@H](C)S(=O)(=O)[O-] J6Z [0,1,0,0,0,0|1,0,1]=3 44 B7R0.14 CC[C@@H](O)P(=O)(O)O 1JJ [0,1,0,0,0,0|2,0,1]=4 45 B7R0.14 CC[C@H](N)P(=O)(O)O 3V2 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.14 CC[C@H](O)P(=O)(O)O FFQ [0,1,0,0,0,0|2,0,1]=4 47 B7R1.26 C1CC1S(=O)(=O)N 0YA [0,0,0,1,0,0|2,0,0]=3 48 B4R0.1 B(CC)(O)O 3QD [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 C(C(=O)O)Br BRM [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 C(C(=O)O)Br BXA [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 C(C(=O)O)Cl R3W [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 C(C(=O)O)F FAH [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 C(C(=O)O)I 04E [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 C(C(=O)O)N GLY [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 C(C(=O)O)N GLY_LFOH [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 C(C(=O)O)O GOA [2,0,0,0,0,0|1,1,0]=4 57 B4R0.1 C(C(=O)O)S MCR [2,0,0,0,0,0|1,0,0]=3 58 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|1,0,0]=3 61 B4R0.1 CC[C@H](C)O SBT [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 CC[N+](=O)[O-] NIE [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|2,0,0]=4 64 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.2 C(CN)CO 0D8 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.2 C(CO)CCl 3CL [2,0,0,0,0,0|2,0,0]=4 67 B4R0.2 C(CO)CO HPG [2,0,0,0,0,0|1,1,0]=4 68 B4R0.2 C(CO)CO PDO [2,0,0,0,0,0|1,1,0]=4 69 B4R0.2 C(CS)C=O MPR [2,0,0,0,0,0|1,0,0]=3 70 B4R0.2 C(CS)CS PDT [2,0,0,0,0,0|1,1,0]=4 71 B4R0.2 CCCCO 1BO [2,0,0,0,0,0|2,0,0]=4 72 B4R0.3 CP(=O)(O)O GB [2,0,0,0,0,0|1,0,1]=4 73 B4R0.3 CP(=O)(O)O PPM [2,0,0,0,0,0|1,0,1]=4 74 B4R0.3 CS(=O)(=O)O 03S [2,0,0,0,0,0|0,0,0]=2 75 B4R0.3 C[As](=O)(C)O CAD [2,0,0,0,0,0|2,0,0]=4 76 B4R0.3 C[P@](=O)(N)O PNO [2,0,0,0,0,0|2,0,0]=4 77 B4R0.3 OP(=O)(O)S TS6 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.3 OS(=O)(=O)[O-] SOH [2,0,0,0,0,0|0,1,0]=3 79 B4R0.3 [O-]S(=O)(=O)[O-] SO4 [2,0,0,0,0,0|0,1,1]=4 80 B4R0.3 [O-]S(=O)(=O)[O-] SUL [2,0,0,0,0,0|0,1,1]=4 81 B4R0.3 [O-]S(=O)(=O)[S-] THJ [2,0,0,0,0,0|0,0,2]=4 82 B6R0.2 CC(C)CC(=O)O IVA [1,1,0,0,0,0|2,0,0]=4 83 B6R0.2 C[C@@H](CC(=O)O)N B3A [1,1,0,0,0,0|2,0,0]=4 84 B6R0.2 C[C@@H](CC(=O)O)O 3HL [1,1,0,0,0,0|1,1,0]=4 85 B6R0.2 C[C@H](CC(=O)O)O 3HR [1,1,0,0,0,0|1,1,0]=4 86 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.3 C([C@@H](C(=O)O)N)N DPP [1,1,0,0,0,0|2,0,0]=4 89 B6R0.3 C([C@@H](C(=O)O)N)O SEG [1,1,0,0,0,0|1,1,0]=4 90 B6R0.3 C([C@@H](C(=O)O)N)O SER [1,1,0,0,0,0|1,1,0]=4 91 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [1,1,0,0,0,0|1,1,0]=4 92 B6R0.3 C([C@@H](C(=O)O)N)S BTC [1,1,0,0,0,0|1,0,0]=3 93 B6R0.3 C([C@@H](C(=O)O)N)S CYS [1,1,0,0,0,0|1,0,0]=3 94 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [1,1,0,0,0,0|1,0,0]=3 95 B6R0.3 C([C@@H](C(=O)O)N)S FCY [1,1,0,0,0,0|1,0,0]=3 96 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [1,1,0,0,0,0|2,0,0]=4 97 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [1,1,0,0,0,0|1,1,0]=4 98 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [1,1,0,0,0,0|1,0,1]=4 99 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [1,1,0,0,0,0|1,1,0]=4 100 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [1,1,0,0,0,0|1,1,0]=4 101 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [1,1,0,0,0,0|1,1,0]=4 102 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [1,1,0,0,0,0|1,0,0]=3 103 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [1,1,0,0,0,0|1,1,0]=4 104 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [1,1,0,0,0,0|1,0,1]=4 105 B6R0.3 C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW [1,1,0,0,0,0|1,0,1]=4 107 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [1,1,0,0,0,0|2,0,0]=4 108 B6R0.3 C([C@H](C(=O)O)N)N 2RA [1,1,0,0,0,0|2,0,0]=4 109 B6R0.3 C([C@H](C(=O)O)N)O DSN [1,1,0,0,0,0|1,1,0]=4 110 B6R0.3 C([C@H](C(=O)O)N)S DCY [1,1,0,0,0,0|1,0,0]=3 111 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [1,1,0,0,0,0|2,0,0]=4 112 B6R0.3 C([C@H](C(=O)O)O)O DGY [1,1,0,0,0,0|1,1,0]=4 113 B6R0.3 CCC(C(=O)O)N AA3 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [1,1,0,0,0,0|2,0,0]=4 115 B6R0.3 CC[C@@H](C(=O)O)N AB7 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.3 CC[C@@H](C(=O)O)N ABA [1,1,0,0,0,0|2,0,0]=4 117 B6R0.3 CC[C@@H](C(=O)O)N UNK [1,1,0,0,0,0|2,0,0]=4 118 B6R0.3 CC[C@H](C(=O)O)N DBB [1,1,0,0,0,0|2,0,0]=4 119 B6R0.3 CC[C@H](C)C(=O)O SMB [1,1,0,0,0,0|2,0,0]=4 120 B6R0.3 C[C@@H](CN)C(=O)O 62H [1,1,0,0,0,0|2,0,0]=4 121 B6R0.3 C[C@H](CO)C(=O)O HIU [1,1,0,0,0,0|1,1,0]=4 122 B6R0.3 C[C@H](CS)C(=O)O CC8 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.4 C#CCCC(=O)O 54L [1,1,0,0,0,0|2,0,0]=4 125 B6R0.4 C(CC(=O)O)C=O SSN [1,1,0,0,0,0|1,1,0]=4 126 B6R0.4 C(CC(=O)O)CBr 0A5 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.4 C(CC(=O)O)CN ABU [1,1,0,0,0,0|2,0,0]=4 128 B6R0.4 C(CSS)C(=O)O 3SS [1,1,0,0,0,0|1,0,0]=3 129 B6R0.4 CCCCC(=O)O LEA [1,1,0,0,0,0|2,0,0]=4 130 B6R0.4 CCCCC(=O)O PEI [1,1,0,0,0,0|2,0,0]=4 131 B6R0.4 CCNCC(=O)O 2JC [1,1,0,0,0,0|2,0,0]=4 132 B6R0.7 CN(C)S(=O)(=O)O MAS [1,1,0,0,0,0|1,0,0]=3 133 B6R0.7 C[C@H](N)P(=O)(O)O GG7 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.29 C(CS(=O)(=O)O)C(=O)O X1S [0,2,0,0,0,0|0,1,0]=3 135 B8R0.29 CN(C)CCS(=O)(=O)O ASZ [0,2,0,0,0,0|1,0,0]=3 136 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|2,0,0]=4