0 B7R0.4 C(CCO)CC(=O)O SHO [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 C(CC[NH3+])CC(=O)O DAV [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 C(CNC(=[NH2+])N)CO PG3 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.4 C(COCC(=O)O)O VKC [0,0,0,0,0,0|3,0,0]=3 4 B7R0.4 C(CSCC(=O)O)N ESD [0,0,0,0,0,0|3,0,0]=3 5 B7R0.4 C(C[O-])CO[P+](=O)[O-] P1P [0,0,0,0,0,0|4,0,0]=4 6 B7R0.4 C(\C=C\CN)C(=O)O FBE [0,0,0,0,0,0|2,0,2]=4 7 B7R0.4 CCCCCC(=O)C HTX [0,0,0,0,0,0|0,0,0]=0 8 B7R0.4 CCCCCC(=O)O 6NA [0,0,0,0,0,0|1,0,0]=1 9 B7R0.4 CCCCOC(=O)C 8JZ [0,0,0,0,0,0|1,0,0]=1 10 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 B(CCCC)(O)O BUB [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 C#CCCC(=O)O 54L [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 C(CC(=O)O)C=O SSN [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 C(CC(=O)O)CBr 0A5 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 C(CC(=O)O)CN ABU [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 C(CSS)C(=O)O 3SS [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 CCCCC(=O)O LEA [1,0,0,0,0,0|1,0,0]=2 18 B6R0.4 CCCCC(=O)O PEI [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 CCCOC(=O)C 4PA [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 CCNCC(=O)O 2JC [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CN(C)CCCN DIB [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 C(CC=N)CC=O ARN [1,0,0,0,0,0|1,0,1]=3 23 B6R0.6 C(CC=O)CC=O PTD [1,0,0,0,0,0|1,0,1]=3 24 B6R0.6 C(CCN)CCN N2P [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 C(CCNN)CN 01H [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 C(CCO)CC=O GAQ [1,0,0,0,0,0|1,0,0]=2 27 B6R0.6 C(COCC=O)O 1KA [1,0,0,0,0,0|2,0,0]=3 28 B6R0.6 CCCCCCC HP6 [1,0,0,0,0,0|0,0,1]=2 29 B6R0.6 CCCCCCO HE2 [1,0,0,0,0,0|0,0,2]=3 30 B6R0.6 CCCCNC=O YIV [1,0,0,0,0,0|1,0,0]=2 31 B6R0.6 CCCSCCO 266 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.5 C(CO)C(=O)CC(=O)O 98J [0,1,0,0,0,0|2,0,1]=4 33 B8R0.5 CCOC(=O)CC(=O)C EAC [0,1,0,0,0,0|1,0,1]=3 34 B8R0.6 C(CCN)CC(=O)NO 5XA [0,1,0,0,0,0|2,0,0]=3 35 B8R0.6 C(CCN)C[C@@H](CO)N LYJ [0,1,0,0,0,0|2,0,1]=4 36 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH-] LYS_LL_DHZ3 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH3+] LYS_LSN3_DHZ3 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.6 C(CC[NH3+])C[C@@H]([C-]=O)[NH-] LYS_LL [0,1,0,0,0,0|2,0,1]=4 39 B8R0.6 C(CC[NH3+])C[C@@H]([C-]=O)[NH3+] LYS_LSN3 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.6 CCCCC[C@@H](C=C)O 3OM [0,1,0,0,0,0|0,0,3]=4 41 B8R0.6 CCCCC[C@H](C=C)O 3OL [0,1,0,0,0,0|0,0,3]=4 42 B8R0.6 CCCCNC(=N)NO BHH [0,1,0,0,0,0|2,0,1]=4 43 B8R0.7 C(CCC(=O)O)CCN ACA [0,1,0,0,0,0|1,0,0]=2 44 B8R0.7 C(CCC(=O)O)CCN AHA [0,1,0,0,0,0|1,0,0]=2 45 B8R0.7 C(CCNC(=N)N)CN AG2 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.7 C(CNCC(=O)O)C=O CL5 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.7 CC(C)CCCCCO MHN [0,1,0,0,0,0|1,0,1]=3 48 B8R0.7 CCCCCCC(=O)N HPN [0,1,0,0,0,0|1,0,0]=2 49 B8R0.7 CCCCCCC(=O)O SHV [0,1,0,0,0,0|1,0,0]=2 50 B8R0.7 CCCCCC[N+](=O)[O-] N6C [0,1,0,0,0,0|2,0,0]=3 51 B8R0.8 B([C@H](CCCC)N)(O)O BNO [0,1,0,0,0,0|2,0,1]=4 52 B8R0.8 C#CCC[C@@H](C(=O)O)N IZO [0,1,0,0,0,0|1,0,2]=4 53 B8R0.8 C(CON)[C@@H](C(=O)O)N CAN [0,1,0,0,0,0|3,0,0]=4 54 B8R0.8 C(C[C@@H](C(=O)O)N)CN ORN [0,1,0,0,0,0|2,0,0]=3 55 B8R0.8 C(C[C@@H](C(=O)O)N)CO AA4 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.8 C(C[C@@H](C(=O)O)N)CO DHN [0,1,0,0,0,0|2,0,0]=3 57 B8R0.8 C(C[C@@H](C(=O)O)[NH3+])C=O ILG [0,1,0,0,0,0|2,0,1]=4 58 B8R0.8 C(C[C@H](C(=O)O)N)CN ORD [0,1,0,0,0,0|2,0,0]=3 59 B8R0.8 C([C@@H](C(=O)O)N)SCO M0H [0,1,0,0,0,0|3,0,0]=4 60 B8R0.8 CCCC[C@@H](C(=O)N)N NLN [0,1,0,0,0,0|1,0,0]=2 61 B8R0.8 CCCC[C@@H](C(=O)O)N NLE [0,1,0,0,0,0|1,0,0]=2 62 B8R0.8 CCCC[C@@H](C(O)O)N 2DO [0,1,0,0,0,0|1,0,2]=4 63 B8R0.8 CCCC[C@H](C(=O)N)O HYH [0,1,0,0,0,0|1,0,0]=2 64 B8R0.8 CCCC[C@H](C(=O)O)N DNE [0,1,0,0,0,0|1,0,0]=2 65 B8R0.8 CCSC[C@@H](C(=O)O)N ECX [0,1,0,0,0,0|2,0,0]=3 66 B8R0.8 CSCCC(=O)C(=O)O KMT [0,1,0,0,0,0|2,0,1]=4 67 B8R0.8 CSCC[C@@H](C(=O)O)N MET [0,1,0,0,0,0|2,0,0]=3 68 B8R0.8 CSCC[C@@H](C(=O)O)N MET_LFOH [0,1,0,0,0,0|2,0,0]=3 69 B8R0.8 CSCC[C@@H](C(=O)O)[NH-] MET_LEO2H [0,1,0,0,0,0|2,0,0]=3 70 B8R0.8 CSCC[C@@H](C(=O)[O-])[NH-] MET_LEO2 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.8 CSCC[C@@H](C(=O)[O-])[NH3+] MET_LFZW [0,1,0,0,0,0|2,0,0]=3 72 B8R0.8 CSCC[C@H](C(=O)O)N MED [0,1,0,0,0,0|2,0,0]=3 73 B8R0.8 CSCC[C@H](N)[P@H](=O)O MPJ [0,1,0,0,0,0|3,0,0]=4 74 B8R0.8 CSSC[C@@H](C(=O)O)N SCH [0,1,0,0,0,0|3,0,0]=4 75 B8R0.8 C[Hg]SC[C@@H](C(=O)O)N CMH [0,1,0,0,0,0|3,0,0]=4 76 B8R0.8 C[Se]CC[C@@H](C(=O)O)N MSE [0,1,0,0,0,0|2,0,0]=3 77 B8R0.8 C[Se]SC[C@@H](C(=O)O)N CSK [0,1,0,0,0,0|3,0,0]=4 78 B8R0.8 N=C(/CCSC)\C(=O)O 0XD [0,1,0,0,0,0|2,0,1]=4 79 B8R0.9 C(CC(=O)N)[C@@H](CO)N ECC [0,1,0,0,0,0|2,0,0]=3 80 B8R0.9 C(CC(=O)N)[C@@H]([C-]=O)[NH-] GLN_LL [0,1,0,0,0,0|2,0,1]=4 81 B8R0.9 C(CC(=O)N)[C@@H]([C-]=O)[NH3+] GLN_LSN3 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.9 C(CC(=O)O)C(=O)CCl TQ9 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.9 C(CC(=O)O)C(=O)CF LAF [0,1,0,0,0,0|2,0,1]=4 84 B8R0.9 C(CC(=O)O)C(C=O)N GLQ [0,1,0,0,0,0|2,0,1]=4 85 B8R0.9 C(CC(=O)O)[C@@H](CN)N HOZ [0,1,0,0,0,0|2,0,0]=3 86 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,1,0,0,0,0|2,0,0]=3 87 B8R0.9 C(CC(=O)O)[C@@H]([C-]=O)[NH-] GLU_LL [0,1,0,0,0,0|2,0,1]=4 88 B8R0.9 C(CC(=O)O)[C@@H]([C-]=O)[NH3+] GLU_LSN3 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.9 C(CC(=O)[O-])[C@@H]([C-]=O)[NH-] GLU_LL_DHE2 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.9 C(CC(=O)[O-])[C@@H]([C-]=O)[NH3+] GLU_LSN3_DHE2 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.9 C/C=C(\CCC(=O)O)/N GEG [0,1,0,0,0,0|1,0,2]=4 92 B8R0.9 CC(=O)NC[C@@H](CO)N 1HD [0,1,0,0,0,0|2,0,0]=3 93 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [0,1,0,0,0,0|2,0,0]=3 94 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,1,0,0,0,0|1,0,0]=2 95 B8R0.9 COC(=O)CCC(=O)O MSU [0,1,0,0,0,0|2,0,1]=4 96 B8R0.9 COC(CCC(=O)O)O HMB [0,1,0,0,0,0|2,0,0]=3 97 B8R0.9 N=C/[C@H](CCC(=O)N)N 0JU [0,1,0,0,0,0|2,0,1]=4 98 B8R0.21 CCCCO[P@@](=O)(C)O CVX [0,1,0,0,0,0|2,0,0]=3 99 B8R0.28 C(CC(=O)O)CC(=O)O GUA [0,1,0,0,0,0|2,0,1]=4 100 B8R0.28 C(CC(=O)O)C[N+](=O)[O-] 4NI [0,1,0,0,0,0|3,0,0]=4 101 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,1,0,0,0,0|0,0,2]=3 102 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,1,0,0,0,0|1,0,1]=3 103 B8R0.28 CC(C)CNCC(=O)O I4G [0,1,0,0,0,0|2,0,0]=3 104 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,0,0,1,0,0|2,0,1]=4 105 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.7 C1CC(=[NH+]C1)C(=O)[O-] 2PC [0,0,0,1,0,0|2,0,1]=4 107 B8R1.7 C1CCC(C1)C(=O)O IQ0 [0,0,0,1,0,0|1,0,0]=2 108 B8R1.7 C1C[C@@H](NC1)C(=O)N PR9 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.7 C1C[C@@H](NC1)C(=O)O DPR [0,0,0,1,0,0|2,0,0]=3 110 B8R1.7 C1C[C@H](C=C1)C(=O)O C54 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.7 C1C[C@H](NC1)C(=O)N LPD [0,0,0,1,0,0|2,0,0]=3 112 B8R1.7 C1C[C@H](NC1)C(=O)O PRO [0,0,0,1,0,0|2,0,0]=3 113 B8R1.7 C1C[C@H](NC1)C(=O)O PRO_LFOH [0,0,0,1,0,0|2,0,0]=3 114 B8R1.7 C1C[C@H](OC1)C(=O)O TFB [0,0,0,1,0,0|2,0,0]=3 115 B8R1.7 C1C[C@H]([N-]C1)C(=O)O PRO_LEO2H [0,0,0,1,0,0|2,0,0]=3 116 B8R1.7 C1C[C@H]([N-]C1)C(=O)[O-] PRO_LEO2 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)[O-] PRO_LFZW [0,0,0,1,0,0|2,0,0]=3 118 B8R1.7 C1[C@H](NCS1)C(=O)O PRS [0,0,0,1,0,0|3,0,0]=4 119 B8R1.7 N=C(/C1CCCC1)\N 273 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.7 N=C(\[C@@H]1CCCN1)/O 04V [0,0,0,1,0,0|2,0,1]=4 121 B8R1.22 C1CCC(=O)NCC1 ICC [0,0,0,1,0,0|1,0,0]=2 122 B8R1.22 C1CCC(=O)OCC1 ECE [0,0,0,1,0,0|1,0,0]=2 123 B8R1.22 C1CCCC(CC1)N SZ1 [0,0,0,1,0,0|1,0,1]=3 124 B5R0.1 C(CN)C(=O)O BAL [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 C(CS)C(=O)O MPT [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 C(C[SeH])C(=O)O SLP [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CC(=O)CCO BUQ [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|0,0,0]=2 130 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|1,0,0]=3 132 B5R0.1 CCC[N+](=O)[O-] N1P [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 CCOC(=O)C EEE [2,0,0,0,0,0|1,0,0]=3 134 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 CSCC(=O)[O-] MTG [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CSC[S@@](=O)C DSS [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 C[Se]CC(=O)[O-] MSF [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 C[Te]CC(=O)[O-] MTD [2,0,0,0,0,0|2,0,0]=4 141 B5R0.2 C(CCN)CN PUT [2,0,0,0,0,0|2,0,0]=4 142 B5R0.2 C(CCO)CO BU1 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.2 C(CCO)C[NH3+] 4HA [2,0,0,0,0,0|1,0,1]=4 144 B5R0.2 C(CCl)NC=O CEC [2,0,0,0,0,0|2,0,0]=4 145 B5R0.2 CCCCC=O PTL [2,0,0,0,0,0|0,0,0]=2 146 B5R0.2 CCCCCBr 5BR [2,0,0,0,0,0|1,0,0]=3 147 B5R0.2 CCCCCC HEX [2,0,0,0,0,0|0,0,0]=2 148 B5R0.2 CCCCCCl 7CL [2,0,0,0,0,0|1,0,0]=3 149 B5R0.2 CCCCCN AML [2,0,0,0,0,0|1,0,0]=3 150 B5R0.2 CCCCCO PE9 [2,0,0,0,0,0|0,0,1]=3 151 B5R0.2 CCCC[N+]#[C-] NBN [2,0,0,0,0,0|1,0,1]=4 152 B5R0.2 CCOCCO ETX [2,0,0,0,0,0|1,0,1]=4 153 B5R0.2 CNCCCN N3D [2,0,0,0,0,0|2,0,0]=4 154 B5R0.2 COCCOC DXE [2,0,0,0,0,0|2,0,0]=4 155 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [1,1,0,0,0,0|2,0,0]=4 156 B7R0.2 C([C@H](CO)N)C(=O)O B3S [1,1,0,0,0,0|2,0,0]=4 157 B7R0.2 C([C@H](CS)N)C(=O)O BCX [1,1,0,0,0,0|2,0,0]=4 158 B7R0.3 CCCC[C@@H](C=O)N LYW [1,1,0,0,0,0|1,0,1]=4 159 B7R0.3 CCCC[C@@H](CO)N 2AO [1,1,0,0,0,0|1,0,1]=4 160 B7R0.3 CCCC[C@@H](CO)O 0RE [1,1,0,0,0,0|0,0,2]=4 161 B7R0.3 CCCC[C@H](CO)O 7FB [1,1,0,0,0,0|0,0,2]=4 162 B7R0.3 COC(=O)CCCN GVE [1,1,0,0,0,0|1,0,0]=3 163 B7R0.5 C(CN)[C@@H](C(=O)O)N DAB [1,1,0,0,0,0|2,0,0]=4 164 B7R0.5 C(CN)[C@H](C(=O)O)N 4FO [1,1,0,0,0,0|2,0,0]=4 165 B7R0.5 C(CN)[C@H](C(=O)O)O 42B [1,1,0,0,0,0|2,0,0]=4 166 B7R0.5 C(CO)[C@@H](C(=O)O)N HSE [1,1,0,0,0,0|2,0,0]=4 167 B7R0.5 C(CS)[C@@H](C(=O)O)N HCS [1,1,0,0,0,0|2,0,0]=4 168 B7R0.5 C(CS)[C@H](C(=O)O)N KCY [1,1,0,0,0,0|2,0,0]=4 169 B7R0.5 CCCC(=O)C(=O)O 69O [1,1,0,0,0,0|1,0,1]=4 170 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [1,1,0,0,0,0|1,0,0]=3 171 B7R0.5 CCC[C@@H](C(=O)O)N BTA [1,1,0,0,0,0|1,0,0]=3 172 B7R0.5 CCC[C@@H](C(=O)O)N NVA [1,1,0,0,0,0|1,0,0]=3 173 B7R0.5 CCC[C@@H](C(=O)O)N RON [1,1,0,0,0,0|1,0,0]=3 174 B7R0.5 CCS[C@@H](C(=O)O)N GSC [1,1,0,0,0,0|2,0,0]=4 175 B7R0.5 COC[C@@H](C(=O)O)N 7C9 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.5 CSC[C@@H](C(=O)O)N CYM [1,1,0,0,0,0|2,0,0]=4 177 B7R0.5 CSC[C@@H](C(=O)O)N SMC [1,1,0,0,0,0|2,0,0]=4 178 B7R0.5 CSC[C@H](C(=O)O)N 060 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.6 CC(=O)CCC(=O)O SHF [1,1,0,0,0,0|1,0,1]=4 180 B7R0.6 CC(C)CCC(=O)O 4MV [1,1,0,0,0,0|1,0,0]=3 181 B7R0.6 CC(C)COC(=O)O IBU [1,1,0,0,0,0|2,0,0]=4 182 B7R0.6 CC(C)NCC(=O)O IPG [1,1,0,0,0,0|2,0,0]=4 183 B7R0.6 CS(C)CCC(=O)O DQY [1,1,0,0,0,0|2,0,0]=4 184 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [1,1,0,0,0,0|0,0,2]=4 186 B7R0.8 CCCCP(=O)(O)O CCP [1,1,0,0,0,0|2,0,0]=4 187 B7R0.1 C(CCC=O)CCN DNL [1,1,0,0,0,0|0,0,0]=2 188 B7R0.1 C(CCCBr)CCO BHL [1,1,0,0,0,0|0,0,2]=4 189 B7R0.1 C(CCCN)CCN 16D [1,1,0,0,0,0|1,0,1]=4 190 B7R0.1 C(CCCO)CCN 6AH [1,1,0,0,0,0|0,0,2]=4 191 B7R0.1 C(CCCO)CCO HEZ [1,1,0,0,0,0|0,0,2]=4 192 B7R0.1 CCCCCCC#N CNX [1,1,0,0,0,0|0,0,2]=4 193 B7R0.1 CCCCCCCC OCT [1,1,0,0,0,0|0,0,1]=3 194 B7R0.1 CCCCCCCO HE4 [1,1,0,0,0,0|0,0,1]=3 195 B7R0.1 CCCSSCCC SSP [1,1,0,0,0,0|1,0,1]=4 196 B7R0.1 COCCOCCO PG0 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.4 C(C[C@@H](CC(=O)O)N)CN KBE [0,2,0,0,0,0|1,0,0]=3 198 B9R0.4 CCCCC(=O)CC(=O)O BKA [0,2,0,0,0,0|1,0,0]=3 199 B9R0.4 CSCC[C@@H](CC(=O)O)N B3M [0,2,0,0,0,0|1,0,0]=3 200 B9R0.6 C[C@@H](CCBr)[C@@H](C(=O)O)N BIU [0,2,0,0,0,0|2,0,0]=4 201 B9R0.6 C[C@H](CCN)[C@H](C(=O)O)N MD0 [0,2,0,0,0,0|2,0,0]=4 202 B9R0.23 CC[C@H](C)[C@@H](CC(=O)O)N BIL [0,2,0,0,0,0|1,0,0]=3 203 B9R0.53 CC(C)C[C@@H](CC(=O)O)N B3L [0,2,0,0,0,0|1,0,0]=3 204 B9R0.53 C[C@@H](CC(=O)CC(=O)O)N KMH [0,2,0,0,0,0|1,0,1]=4 205 B9R0.58 C[C@@](CCO)(CC(=O)[O-])O MEV [0,2,0,0,0,0|2,0,0]=4 206 B9R0.58 C[C@@](CCS)(CC(=O)O)O 1CO [0,2,0,0,0,0|2,0,0]=4 207 B9R0.1 CC[C@H](C)C\C=C\C(=O)O 39Y [0,2,0,0,0,0|1,0,1]=4 208 B9R0.5 CCCCC[C@@H](C)NC=O NMH [0,2,0,0,0,0|0,0,1]=3 209 B9R0.8 CCCC[C@@H](C(=O)OC)N NLO [0,2,0,0,0,0|0,0,0]=2 210 B9R0.8 CCCC[C@@H]([C@@H](CO)O)O HT3 [0,2,0,0,0,0|0,0,2]=4 211 B9R0.8 CCCC[C@H]([C@@H](CO)O)O HTO [0,2,0,0,0,0|0,0,2]=4 212 B9R0.8 CCCC[C@H]([C@H](CO)O)O HTH [0,2,0,0,0,0|0,0,2]=4 213 B9R0.46 C(CCC(=O)NO)CCN 6XA [0,2,0,0,0,0|1,0,0]=3 214 B9R0.47 C(CCN)C[C@@H](C(=O)O)N LYS_LFOH_DHZ3 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.47 C(CCN)C[C@@H](C(=O)O)[NH-] LYS_LEO2H_DHZ3 [0,2,0,0,0,0|1,0,0]=3 216 B9R0.47 C(CCN)C[C@@H](C(=O)[O-])[NH-] LYS_LEO2_DHZ3 [0,2,0,0,0,0|1,0,0]=3 217 B9R0.47 C(CCN)C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW_DHZ3 [0,2,0,0,0,0|1,0,0]=3 218 B9R0.47 C(CCN)C[C@H](C(=O)O)N DLY [0,2,0,0,0,0|1,0,0]=3 219 B9R0.47 C(CCO)C[C@@H](C(=O)O)N LDO [0,2,0,0,0,0|1,0,0]=3 220 B9R0.47 C(CCO)C[C@H](C(=O)O)N DDO [0,2,0,0,0,0|1,0,0]=3 221 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)N)N LYN [0,2,0,0,0,0|1,0,0]=3 222 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)N LYS [0,2,0,0,0,0|1,0,0]=3 223 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)N LYS_LFOH [0,2,0,0,0,0|1,0,0]=3 224 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)[NH-] LYS_LEO2H [0,2,0,0,0,0|1,0,0]=3 225 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)[O-])[NH-] LYS_LEO2 [0,2,0,0,0,0|1,0,0]=3 226 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW [0,2,0,0,0,0|1,0,0]=3 227 B9R0.47 C(COC[C@@H](C(=O)O)N)N OLZ [0,2,0,0,0,0|2,0,0]=4 228 B9R0.47 C(CSCO)[C@@H](C(=O)O)N ME0 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.47 C(CSC[C@@H](C(=O)O)N)N SLZ [0,2,0,0,0,0|2,0,0]=4 230 B9R0.47 C(CSC[C@@H](C(=O)O)N)O CS0 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.47 C(CSC[C@@H](C(=O)O)N)O OCY [0,2,0,0,0,0|2,0,0]=4 232 B9R0.47 C(C[C@@H](C(=O)O)N)CNO ONH [0,2,0,0,0,0|2,0,0]=4 233 B9R0.47 C(C[C@@H](C(=O)O)N)CON 19W [0,2,0,0,0,0|2,0,0]=4 234 B9R0.47 CC(=O)[C@H](CCCCN)N CKC [0,2,0,0,0,0|0,0,0]=2 235 B9R0.47 CC(=O)[C@H](CCCCN)N LYM [0,2,0,0,0,0|0,0,0]=2 236 B9R0.47 CCCCC[C@@H](C(=O)O)N AHP [0,2,0,0,0,0|1,0,0]=3 237 B9R0.47 CCCCNC(=O)[C@H](C)N UM2 [0,2,0,0,0,0|1,0,0]=3 238 B9R0.47 CCSCC[C@@H](C(=O)O)N ESC [0,2,0,0,0,0|1,0,0]=3 239 B9R0.47 CCSSC[C@@H](C(=O)O)N SCS [0,2,0,0,0,0|2,0,0]=4 240 B9R0.47 CSSCC[C@@H](C(=O)O)N HCM [0,2,0,0,0,0|2,0,0]=4 241 B9R0.47 N=C(/CCCCN)\C(=O)O 0XC [0,2,0,0,0,0|1,0,1]=4 242 B9R0.2 C(CCCN)CCC(=O)O 011 [0,2,0,0,0,0|1,0,0]=3 243 B9R0.2 C(CCNCC(=O)O)CN NLY [0,2,0,0,0,0|1,0,0]=3 244 B9R0.2 CCCCCCCC(=O)O OCA [0,2,0,0,0,0|1,0,0]=3 245 B9R0.2 C[S@@](=O)CCCCNC=S LE3 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.55 C(CCC(=O)O)CC(=O)O 0L1 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.55 CC(C)CCCCC(=O)O 6F5 [0,2,0,0,0,0|1,0,0]=3 248 B9R0.3 CCCC[C@H](N)P(=O)(O)O NLP [0,2,0,0,0,0|2,0,0]=4 249 B9R0.7 C(CC(=O)O)[C@@H](C(O)O)N GLK [0,2,0,0,0,0|2,0,0]=4 250 B9R0.7 C(CC(N)N)[C@@H](C(=O)O)N XFW [0,2,0,0,0,0|2,0,0]=4 251 B9R0.7 C(CC(O)O)[C@@H](C(=O)O)N GLJ [0,2,0,0,0,0|2,0,0]=4 252 B9R0.7 CC(=O)CC[C@@H](C(=O)O)N ONL [0,2,0,0,0,0|1,0,1]=4 253 B9R0.7 CC(=O)[C@H](CCC(=O)O)N MKE [0,2,0,0,0,0|1,0,1]=4 254 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HLX [0,2,0,0,0,0|1,0,0]=3 255 B9R0.7 CC(C)[C@@H](CCC(=O)O)N 0JT [0,2,0,0,0,0|1,0,0]=3 256 B9R0.7 C[C@H]([C@@H](CCC(=O)O)O)N KAH [0,2,0,0,0,0|1,0,0]=3 257 B9R0.7 C[C@H]([C@H](CCC(=O)O)N)O EKE [0,2,0,0,0,0|1,0,0]=3 258 B9R0.7 C[S@@](=O)CC[C@@H](C(=O)O)N SME [0,2,0,0,0,0|2,0,0]=4 259 B9R0.7 C[S@](=O)CC[C@@H](C(=O)O)N MHO [0,2,0,0,0,0|2,0,0]=4 260 B9R0.7 C[Se@@](=O)CC[C@@H](C(=O)O)N MSO [0,2,0,0,0,0|2,0,0]=4 261 B9R0.13 CCCC[C@H](C(=O)O)NC DNM [0,2,0,0,0,0|1,0,0]=3 262 B9R0.13 CN[C@@H](CCSC)C(=O)O MME [0,2,0,0,0,0|2,0,0]=4 263 B9R0.42 C([C@@H](CS)S)[C@@H](C(=O)O)N 81S [0,2,0,0,0,0|2,0,0]=4 264 B9R0.42 C([C@H](CS)S)[C@@H](C(=O)O)N 81R [0,2,0,0,0,0|2,0,0]=4 265 B9R0.42 C[C@@H](C[C@@H](C(=O)O)N)CF LEF [0,2,0,0,0,0|2,0,0]=4 266 B9R0.51 CCCC[C@@](C)(C(=O)O)N MK8 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.51 CCCC[C@](C)(C(=O)O)N 2JN [0,2,0,0,0,0|1,0,0]=3 268 B9R0.56 CC(=O)CCC[N+](C)(C)C CHH [0,2,0,0,0,0|1,0,0]=3 269 B9R0.56 CC(=O)CCC[N+](C)(C)C NWB [0,2,0,0,0,0|1,0,0]=3 270 B9R0.56 CC(=O)OCC[N+](C)(C)C ACH [0,2,0,0,0,0|2,0,0]=4 271 B9R0.56 CC(=O)SCC[N+](C)(C)C AT3 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.56 C[C@H](CCC[N+](C)(C)C)O CCD [0,2,0,0,0,0|2,0,0]=4 273 B9R0.56 C[N+](C)(C)CCCC(=O)O NM2 [0,2,0,0,0,0|2,0,0]=4 274 B7R1.2 C1CC(=O)CC1=O CEJ [1,0,0,1,0,0|1,0,1]=4 275 B7R1.3 C1CC=CC(=O)C1 A2Q [1,0,0,1,0,0|0,0,2]=4 276 B7R1.3 C1CCC(=O)CC1 CYH [1,0,0,1,0,0|0,0,0]=2 277 B7R1.3 C1CCC(CC1)O CXL [1,0,0,1,0,0|0,0,2]=4 278 B7R1.3 C1CCC(CC1)[NH3+] HAI [1,0,0,1,0,0|1,0,1]=4 279 B7R1.3 C1CCNC(=N)C1 2IM [1,0,0,1,0,0|2,0,0]=4 280 B7R1.7 CCCC[C@@H]1CO1 0PZ [1,0,0,1,0,0|0,0,2]=4 281 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.18 C1CN[C@@H]1C(=O)O 02A [1,0,0,1,0,0|2,0,0]=4 283 B7R1.1 C1CCN(C1)C=O FP6 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.1 C1C[C@H](NC1)C=O PRI [1,0,0,1,0,0|1,0,0]=3 285 B7R1.1 C1C[C@H]([N-]C1)[C-]=O PRO_LL [1,0,0,1,0,0|1,0,1]=4 286 B7R1.1 C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.4 C1COC(=O)[C@H]1N HSL [1,0,0,1,0,0|2,0,0]=4 288 B7R1.4 CN1CCCC1=O MB3 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.4 CN1CCOC1=O 3MO [1,0,0,1,0,0|2,0,0]=4 290 B9R1.13 C1CCC(C1)CC(=O)O 0PA [0,1,0,1,0,0|1,0,0]=3 291 B9R1.13 C1CCC(C1)OC(=O)O 12W [0,1,0,1,0,0|1,0,0]=3 292 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O HY3 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O XCP [0,1,0,1,0,0|1,0,0]=3 294 B9R1.41 C1[C@@H]([C@H](CN1)N)C(=O)O XPC [0,1,0,1,0,0|2,0,0]=4 295 B9R1.41 CN1CCC[C@H]1C(=O)O 3BY [0,1,0,1,0,0|1,0,0]=3 296 B9R1.41 C[N@@]1CCC[C@H]1C(=O)O PKR [0,1,0,1,0,0|1,0,0]=3 297 B9R1.3 CC1C(=O)CCCC1=O 70V [0,1,0,1,0,0|1,0,1]=4 298 B9R1.3 C[C@H]1CCC[C@H]([C@@H]1O)O Q6Z [0,1,0,1,0,0|0,0,2]=4 299 B9R1.11 CNC(=O)[C@@H]1CCCN1 9PR [0,1,0,1,0,0|1,0,0]=3 300 B9R1.11 COC(=O)[C@@H]1CCCN1 PLJ [0,1,0,1,0,0|1,0,0]=3 301 B9R1.11 COC(=O)[C@H]1CCCN1 PDW [0,1,0,1,0,0|1,0,0]=3 302 B9R1.6 C1CCC(CC1)C(=O)N WM2 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.6 C1CCN[C@@H](C1)C(=O)O YCP [0,1,0,1,0,0|1,0,0]=3 304 B9R1.6 C1CCN[C@H](C1)C(=O)O CPI [0,1,0,1,0,0|1,0,0]=3 305 B9R1.6 C1CN(CCN1)C(=O)O BZP [0,1,0,1,0,0|2,0,0]=4 306 B9R1.6 C1CNCCC1C(=O)O MN1 [0,1,0,1,0,0|1,0,0]=3 307 B9R1.6 C1COCCN1C(=O)O MOR [0,1,0,1,0,0|2,0,0]=4 308 B9R1.6 N=C(/N)\N1CCCCC1 MRZ [0,1,0,1,0,0|2,0,0]=4 309 B9R1.85 C1CC1CNCC(=O)O NMC [0,1,0,1,0,0|1,0,0]=3 310 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F 4FB [0,1,0,1,0,0|2,0,0]=4 311 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O HZP [0,1,0,1,0,0|2,0,0]=4 312 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F FP9 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O HYP [0,1,0,1,0,0|2,0,0]=4 314 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O 0AZ [0,1,0,1,0,0|2,0,0]=4 315 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O MP8 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.112 C1[C@@H](O1)C[C@@H](C(=O)O)N LIS [0,1,0,1,0,0|2,0,0]=4 317 B9R1.163 C1CCC(C1)(C(=O)O)N AC5 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.163 C1C[C@](NC1)(C(=O)O)O PXU [0,1,0,1,0,0|2,0,0]=4 319 B9R1.163 CC1(CCCC1)C(=O)O CCM [0,1,0,1,0,0|1,0,0]=3 320 B9R1.163 C[C@]1(CCCN1)C(=O)O 3WX [0,1,0,1,0,0|2,0,0]=4 321 B9R2.39 C1C[C@@H]2C[C@H]1CC2=O NCM [0,0,0,2,0,0|0,0,0]=2