0 B6R0.6 C(CC=N)CC=O ARN [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C(CC=O)CC=O PTD [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C(CCN)CCN N2P [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 C(CCNN)CN 01H [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 C(CCO)CC=O GAQ [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 C(COCC=O)O 1KA [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 C(COCCO)O PEG [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 CCCCCCC HP6 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 CCCCCCO HE2 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.6 CCCCNC=O YIV [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 CCCSCCO 266 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.2 C(CCN)CN PUT [1,0,0,0,0,0|2,0,0]=3 12 B5R0.2 C(CCO)CO BU1 [1,0,0,0,0,0|0,1,0]=2 13 B5R0.2 C(CCO)C[NH3+] 4HA [1,0,0,0,0,0|1,0,0]=2 14 B5R0.2 C(CN)CON XAP [1,0,0,0,0,0|2,1,0]=4 15 B5R0.2 C(CO)N=[N+]=[N-] AE9 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.2 CCC/C=N\O BXO [1,0,0,0,0,0|1,0,1]=3 17 B5R0.2 CCCCC=O PTL [1,0,0,0,0,0|0,0,2]=3 18 B5R0.2 CCCCCBr 5BR [1,0,0,0,0,0|1,0,0]=2 19 B5R0.2 CCCCCC HEX [1,0,0,0,0,0|1,0,0]=2 20 B5R0.2 CCCCCCl 7CL [1,0,0,0,0,0|1,0,0]=2 21 B5R0.2 CCCCCN AML [1,0,0,0,0,0|1,0,0]=2 22 B5R0.2 CCCCCO PE9 [1,0,0,0,0,0|0,0,0]=1 23 B5R0.2 CCCC[N+]#[C-] NBN [1,0,0,0,0,0|1,0,1]=3 24 B5R0.2 CCOCCO ETX [1,0,0,0,0,0|1,0,0]=2 25 B5R0.2 CNCCCN N3D [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 COCCOC DXE [1,0,0,0,0,0|1,1,0]=3 27 B7R0.1 C(CCC=O)CCN DNL [0,1,0,0,0,0|1,0,2]=4 28 B7R0.1 C(CCCBr)CCO BHL [0,1,0,0,0,0|1,0,0]=2 29 B7R0.1 C(CCCN)CCN 16D [0,1,0,0,0,0|2,0,0]=3 30 B7R0.1 C(CCCO)CCN 6AH [0,1,0,0,0,0|1,0,0]=2 31 B7R0.1 C(CCCO)CCO HEZ [0,1,0,0,0,0|1,0,0]=2 32 B7R0.1 C(CSSCCO)O HED [0,1,0,0,0,0|3,0,0]=4 33 B7R0.1 CCCCCCC#N CNX [0,1,0,0,0,0|2,0,0]=3 34 B7R0.1 CCCCCCCC OCT [0,1,0,0,0,0|2,0,0]=3 35 B7R0.1 CCCCCCCO HE4 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.1 CCCSSCCC SSP [0,1,0,0,0,0|3,0,0]=4 37 B7R0.1 COCCOCCO PG0 [0,1,0,0,0,0|0,1,0]=2 38 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,1,0,0,0,0|2,0,0]=3 39 B7R0.3 C=CCC[C@@H](CO)O 217 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.3 CCCC[C@@H](C=O)N LYW [0,1,0,0,0,0|1,0,2]=4 41 B7R0.3 CCCC[C@@H](CO)N 2AO [0,1,0,0,0,0|1,0,0]=2 42 B7R0.3 CCCC[C@@H](CO)O 0RE [0,1,0,0,0,0|1,0,0]=2 43 B7R0.3 CCCC[C@H](CO)O 7FB [0,1,0,0,0,0|1,0,0]=2 44 B7R0.3 COC(=O)CCCN GVE [0,1,0,0,0,0|1,1,1]=4 45 B7R0.3 CSCC[C@@H]([C-]=O)[NH-] MET_LL [0,1,0,0,0,0|0,0,2]=3 46 B7R0.3 CSCC[C@@H]([C-]=O)[NH3+] MET_LSN3 [0,1,0,0,0,0|0,0,2]=3 47 B7R0.4 C(CCO)CC(=O)O SHO [0,1,0,0,0,0|2,0,0]=3 48 B7R0.4 C(CC[NH3+])CC(=O)O DAV [0,1,0,0,0,0|2,0,1]=4 49 B7R0.4 C(CNC(=[NH2+])N)CO PG3 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.4 C(COCC(=O)O)O VKC [0,1,0,0,0,0|3,0,0]=4 51 B7R0.4 CCCCCC(=O)C HTX [0,1,0,0,0,0|2,0,0]=3 52 B7R0.4 CCCCCC(=O)O 6NA [0,1,0,0,0,0|1,0,1]=3 53 B7R0.4 CCCCOC(=O)C 8JZ [0,1,0,0,0,0|3,0,0]=4 54 B7R0.7 CC(CCO)CCO 40S [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 C1C[C@H](NC1)C#N QEJ [0,0,0,1,0,0|3,0,0]=4 56 B7R1.1 C1C[C@H](NC1)C=O PRI [0,0,0,1,0,0|3,0,0]=4 57 B7R1.1 C1C[C@H](NC1)CN P2Y [0,0,0,1,0,0|3,0,0]=4 58 B7R1.1 C1C[C@H]([N-]C1)[C-]=O PRO_LL [0,0,0,1,0,0|3,0,0]=4 59 B7R1.1 C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.3 C1CCC(=O)CC1 CYH [0,0,0,1,0,0|1,0,2]=4 61 B7R1.3 C1CCC(CC1)O CXL [0,0,0,1,0,0|1,0,0]=2 62 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,0,0,1,0,0|2,0,0]=3 63 B7R1.3 C1CCNC(=N)C1 2IM [0,0,0,1,0,0|3,0,0]=4 64 B7R1.3 C1C[C@H](CN=C1)N XBB [0,0,0,1,0,0|2,0,1]=4 65 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,0,0,1,0,0|2,0,0]=3 66 B7R1.4 CN1CCCC1=O MB3 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.7 CCCC[C@@H]1CO1 0PZ [0,0,0,1,0,0|1,0,0]=2 68 B4R0.2 C(CCl)CCl 0CL [2,0,0,0,0,0|2,0,0]=4 69 B4R0.2 C(CN)CBr 4LJ [2,0,0,0,0,0|2,0,0]=4 70 B4R0.2 C(CN)CN 13D [2,0,0,0,0,0|2,0,0]=4 71 B4R0.2 C(CN)CO 0D8 [2,0,0,0,0,0|1,0,0]=3 72 B4R0.2 C(CO)CCl 3CL [2,0,0,0,0,0|1,0,0]=3 73 B4R0.2 C(CO)CO HPG [2,0,0,0,0,0|0,1,0]=3 74 B4R0.2 C(CO)CO PDO [2,0,0,0,0,0|0,1,0]=3 75 B4R0.2 C(CS)C=O MPR [2,0,0,0,0,0|0,0,2]=4 76 B4R0.2 C(CS)CS PDT [2,0,0,0,0,0|0,1,0]=3 77 B4R0.2 C(O)OCO 21H [2,0,0,0,0,0|1,1,0]=4 78 B4R0.2 CC/C=N\O PXO [2,0,0,0,0,0|1,0,1]=4 79 B4R0.2 CCCCBr BBU [2,0,0,0,0,0|1,0,0]=3 80 B4R0.2 CCCCC LNK [2,0,0,0,0,0|0,0,0]=2 81 B4R0.2 CCCCN LYT [2,0,0,0,0,0|1,0,0]=3 82 B4R0.2 CCCCO 1BO [2,0,0,0,0,0|0,0,0]=2 83 B4R0.2 CCC[N+]#[C-] NPN [2,0,0,0,0,0|1,0,1]=4 84 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|1,0,0]=3 85 B4R0.2 CCOC[O-] EOM [2,0,0,0,0,0|1,0,1]=4 86 B4R0.2 COCCO MXE [2,0,0,0,0,0|0,1,0]=3 87 B4R0.2 COCC[O-] MOE [2,0,0,0,0,0|0,1,1]=4 88 B6R0.1 C(CO)[C@H](C[O])O BGQ [1,1,0,0,0,0|0,1,0]=3 89 B6R0.1 C([C@H](CSO)O)O SGL [1,1,0,0,0,0|1,0,0]=3 90 B6R0.1 CCC[C@@H](CO)O 1SP [1,1,0,0,0,0|0,0,0]=2 91 B6R0.1 CCS[C@H](C)SC 0AJ [1,1,0,0,0,0|1,0,0]=3 92 B6R0.4 B(CCCC)(O)O BUB [1,1,0,0,0,0|1,0,0]=3 93 B6R0.4 C(CC(=O)O)CBr 0A5 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.4 C(CC(=O)O)CN ABU [1,1,0,0,0,0|1,0,1]=4 95 B6R0.4 C(CSS)C(=O)O 3SS [1,1,0,0,0,0|1,0,1]=4 96 B6R0.4 CC(C)CCC=O MOP [1,1,0,0,0,0|0,0,2]=4 97 B6R0.4 CCCCC(=O)O LEA [1,1,0,0,0,0|0,0,1]=3 98 B6R0.4 CCCCC(=O)O PEI [1,1,0,0,0,0|0,0,1]=3 99 B6R0.4 CCCOC(=O)C 4PA [1,1,0,0,0,0|2,0,0]=4 100 B6R0.4 CCNCC(=O)O 2JC [1,1,0,0,0,0|1,0,1]=4 101 B6R0.4 CN(C)CCCN DIB [1,1,0,0,0,0|2,0,0]=4 102 B8R0.4 C(CCNCCN)CN P24 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.4 C(CN)CNCCCN NSD [0,2,0,0,0,0|2,0,0]=4 104 B8R0.4 CCCCCCCC=O OYA [0,2,0,0,0,0|1,0,1]=4 105 B8R0.4 CCCCCCCCC DD9 [0,2,0,0,0,0|2,0,0]=4 106 B8R0.4 CCCCCCCCO OC9 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.4 CCOCCOCCO AE3 [0,2,0,0,0,0|0,1,0]=3 108 B8R0.4 COCCOCCOC M2M [0,2,0,0,0,0|0,1,0]=3 109 B8R0.6 C(CCN)C[C@@H](CO)N LYJ [0,2,0,0,0,0|1,0,0]=3 110 B8R0.6 CCCCC[C@@H](C=C)O 3OM [0,2,0,0,0,0|1,0,0]=3 111 B8R0.6 CCCCC[C@H](C=C)O 3OL [0,2,0,0,0,0|1,0,0]=3 112 B8R0.7 C(CCC(=O)O)CCN ACA [0,2,0,0,0,0|1,0,1]=4 113 B8R0.7 C(CCC(=O)O)CCN AHA [0,2,0,0,0,0|1,0,1]=4 114 B8R0.7 C(CCNC(O)O)CN N2H [0,2,0,0,0,0|2,0,0]=4 115 B8R0.7 CC(C)CCCCCO MHN [0,2,0,0,0,0|1,0,0]=3 116 B8R0.7 CCCCCCC(=O)N HPN [0,2,0,0,0,0|1,0,1]=4 117 B8R0.7 CCCCCCC(=O)O SHV [0,2,0,0,0,0|1,0,0]=3 118 B8R0.7 CCCCCC[N+](=O)[O-] N6C [0,2,0,0,0,0|1,0,1]=4 119 B8R0.3 C([C@H]([C@@H](CSO)O)O)S DTO [0,2,0,0,0,0|1,1,0]=4 120 B8R0.8 B([C@H](CCCC)N)(O)O BNO [0,2,0,0,0,0|2,0,0]=4 121 B8R0.8 C(C[C@@H](C(=O)O)N)CO AA4 [0,2,0,0,0,0|2,0,0]=4 122 B8R0.8 C(C[C@@H](C(=O)O)N)CO DHN [0,2,0,0,0,0|2,0,0]=4 123 B8R0.8 CCCC[C@@H](C(=O)O)N NLE [0,2,0,0,0,0|1,0,1]=4 124 B8R0.8 CCCC[C@@H](C(O)O)N 2DO [0,2,0,0,0,0|1,0,0]=3 125 B8R0.8 CCCC[C@H](C(=O)O)N DNE [0,2,0,0,0,0|1,0,1]=4 126 B8R0.8 CSCCC(=O)C(=O)O KMT [0,2,0,0,0,0|0,0,2]=4 127 B8R0.8 CSCC[C@@H](C(=O)O)N MET [0,2,0,0,0,0|0,0,1]=3 128 B8R0.8 CSCC[C@@H](C(=O)O)N MET_LFOH [0,2,0,0,0,0|0,0,1]=3 129 B8R0.8 CSCC[C@@H](C(=O)O)[NH-] MET_LEO2H [0,2,0,0,0,0|0,0,1]=3 130 B8R0.8 CSCC[C@@H](C(=O)[O-])[NH-] MET_LEO2 [0,2,0,0,0,0|0,0,2]=4 131 B8R0.8 CSCC[C@@H](C(=O)[O-])[NH3+] MET_LFZW [0,2,0,0,0,0|0,0,2]=4 132 B8R0.8 CSCC[C@H](C(=O)O)N MED [0,2,0,0,0,0|0,0,1]=3 133 B8R0.8 CSCC[C@H](N)[P@H](=O)O MPJ [0,2,0,0,0,0|1,0,0]=3 134 B8R0.8 CSSC[C@@H](C(=O)O)N SCH [0,2,0,0,0,0|1,0,1]=4 135 B8R0.8 C[Se]CC[C@@H](C(=O)O)N MSE [0,2,0,0,0,0|0,1,1]=4 136 B8R0.8 N=C(/CCSC)\C(=O)O 0XD [0,2,0,0,0,0|0,0,2]=4 137 B8R0.9 C(CC(=O)N)[C@@H](CO)N ECC [0,2,0,0,0,0|2,0,0]=4 138 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,2,0,0,0,0|2,0,0]=4 139 B8R0.9 CC(=O)NC[C@@H](CO)N 1HD [0,2,0,0,0,0|2,0,0]=4 140 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [0,2,0,0,0,0|2,0,0]=4 141 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,2,0,0,0,0|1,0,1]=4 142 B8R0.9 COC(CCC(=O)O)O HMB [0,2,0,0,0,0|0,1,1]=4 143 B8R0.11 CCCC[C@H](CC)CO 2EH [0,2,0,0,0,0|1,0,0]=3 144 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,2,0,0,0,0|1,0,1]=4 145 B6R1.1 C1CCCCC1 CHX [1,0,0,1,0,0|1,0,0]=3 146 B6R1.1 C1CCNCC1 PIP [1,0,0,1,0,0|1,0,0]=3 147 B6R1.1 C1CCOCC1 PYE [1,0,0,1,0,0|0,0,0]=2 148 B6R1.1 C1CNCCN1 PZE [1,0,0,1,0,0|2,0,0]=4 149 B6R1.1 C1COCCN1 6LR [1,0,0,1,0,0|1,0,0]=3 150 B6R1.1 C1COCCO1 DIO [1,0,0,1,0,0|1,0,0]=3 151 B6R1.1 C1COCCO1 DOX [1,0,0,1,0,0|1,0,0]=3 152 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|0,1,1]=4 153 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,1,0,0|0,0,2]=4 154 B6R1.2 C1CCC(C1)N 1CB [1,0,0,1,0,0|1,0,0]=3 155 B6R1.2 C1CCC(C1)O YEG [1,0,0,1,0,0|0,0,0]=2 156 B6R1.2 C1CNC[C@@H]1N 04S [1,0,0,1,0,0|2,0,0]=4 157 B6R1.2 C1CNC[C@H]1O 6SP [1,0,0,1,0,0|1,0,0]=3 158 B6R1.3 COCC1CC1 09U [1,0,0,1,0,0|0,1,0]=3 159 B8R1.2 C1CCC(CC1)C[NH3+] AMC [0,1,0,1,0,0|2,0,0]=4 160 B8R1.2 CCC1CCNCC1 EPI [0,1,0,1,0,0|2,0,0]=4 161 B8R1.2 CC[C@H]1CCCCN1 2EP [0,1,0,1,0,0|2,0,0]=4 162 B8R1.2 [C-]#[N+]C1CCCCC1 CYI [0,1,0,1,0,0|2,0,0]=4 163 B8R1.5 C1CC[C@@H]([C@H](C1)O)O 3ZQ [0,1,0,1,0,0|1,0,0]=3 164 B8R1.5 C1CC[C@H]([C@@H](C1)N)N DNH [0,1,0,1,0,0|2,0,0]=4 165 B8R1.5 C1CC[C@H]([C@@H](C1)O)O 40O [0,1,0,1,0,0|1,0,0]=3 166 B8R1.5 C1CNC[C@H]([C@@H]1O)O XIF [0,1,0,1,0,0|1,0,0]=3 167 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,1,0,1,0,0|1,0,1]=4 168 B8R1.5 C1[C@@H]([C@H](CSS1)O)O DTD [0,1,0,1,0,0|1,0,0]=3 169 B8R1.5 C1[C@H]([C@@H](CSS1)O)O D1D [0,1,0,1,0,0|1,0,0]=3 170 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,1,0,1,0,0|1,0,0]=3 171 B8R1.22 C1CCC(=O)OCC1 ECE [0,1,0,1,0,0|1,0,1]=4 172 B8R1.22 C1CCCC(CC1)N SZ1 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.1 C1[C@H](CO[C@@H]1CO)O PA3 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.3 C1CC(CCC1N)O SZ3 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.3 C1CC(CCC1O)O 71J [0,1,0,1,0,0|1,0,0]=3 176 B8R1.3 CC1CCC(CC1)N 2MH [0,1,0,1,0,0|2,0,0]=4 177 B8R1.3 CC1CCC(CC1)N 4JU [0,1,0,1,0,0|2,0,0]=4 178 B8R1.7 C1CCC(C1)C(=O)O IQ0 [0,1,0,1,0,0|1,0,1]=4 179 B8R1.7 C1C[C@H](NC1)[C@H](N)O V8W [0,1,0,1,0,0|2,0,0]=4 180 B8R1.7 C1C[C@H](OC1)C(=O)O TFB [0,1,0,1,0,0|2,0,0]=4 181 B8R1.7 C1[C@H](NCS1)C(=O)O PRS [0,1,0,1,0,0|1,0,1]=4