0 B6R0.1 CCC(=O)OCC CA1 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.1 CCC[C@@H](CO)O 1SP [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCNC(=O)OC MEC [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 CCOC(=O)CN GEE [0,0,0,0,0,0|1,0,0]=1 4 B6R0.1 CCOC(=O)NC EMB [0,0,0,0,0,0|1,0,0]=1 5 B6R0.1 CCS[C@H](C)SC 0AJ [0,0,0,0,0,0|2,1,1]=4 6 B6R0.1 C\C(=C\CO)\CO 6OM [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 C(CN)C(=O)O BAL [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 C(CO)C(=O)O 3OH [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 C(CS)C(=O)O MPT [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 C(C[SeH])C(=O)O SLP [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CC=CC(=O)O BEO [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 CCCC(=O)N BMD [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CCCC(=O)O BUA [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CCC[N+](=O)[O-] N1P [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CCOC(=O)C EEE [1,0,0,0,0,0|0,0,0]=1 18 B5R0.1 CCOC(=O)O 01F [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 CCO[P@H](=O)O ATJ [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CCSC(=N)N ITU [1,0,0,0,0,0|2,1,0]=4 21 B5R0.1 CCSC(=N)N SEU [1,0,0,0,0,0|2,1,0]=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 CSCC(=O)[O-] MTG [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CSC[S@@](=O)C DSS [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 C[Se]CC(=O)[O-] MSF [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C[Te]CC(=O)[O-] MTD [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 N=C(/N)\NCC EGD [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 N=C(\N)/[Se]CC ISU [1,0,0,0,0,0|2,1,0]=4 30 B5R0.2 CCC/C=N\O BXO [1,0,0,0,0,0|3,0,0]=4 31 B5R0.2 CCCCCBr 5BR [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 CCCCCC HEX [1,0,0,0,0,0|1,0,1]=3 33 B5R0.2 CCCCCCl 7CL [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 CCCCCN AML [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 CCCCCO PE9 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 CCOCCO ETX [1,0,0,0,0,0|1,0,1]=3 37 B5R0.3 C(C(=O)CCl)Cl CHM [1,0,0,0,0,0|2,0,0]=3 38 B5R0.3 C(C(=O)CO)O 2HA [1,0,0,0,0,0|2,0,0]=3 39 B5R0.3 CCC(CC)N D0M [1,0,0,0,0,0|1,0,1]=3 40 B5R0.3 CC[C@H](C)CN DCI [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 CC[C@H](C)CN MBA [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 CNC(=O)NC MMU [1,0,0,0,0,0|2,0,0]=3 43 B5R0.3 COC(=O)CN MEU [1,0,0,0,0,0|1,0,0]=2 44 B7R0.3 COC(=O)CCCN GVE [0,1,0,0,0,0|2,0,0]=3 45 B7R0.5 CCCC(=O)C(=O)O 69O [0,1,0,0,0,0|2,0,1]=4 46 B7R0.5 CCO[P@H](=O)N(C)C NTJ [0,1,0,0,0,0|2,0,0]=3 47 B7R0.7 CCOP(=O)OCC DEP [0,1,0,0,0,0|1,0,0]=2 48 B7R0.10 C([C@@H](C(=O)CO)O)O LER [0,1,0,0,0,0|3,0,0]=4 49 B7R0.10 COC(=O)C(=C)CO 23W [0,1,0,0,0,0|3,0,0]=4 50 B7R0.10 COC(=O)[C@H](CO)N 5R5 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.10 COC(=O)[C@H](CS)N CMT [0,1,0,0,0,0|3,0,0]=4 52 B7R0.11 CCO[P@@](=O)(NC)O TC3 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.2 C1CC(=O)CC1=O CEJ [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 C1CC=CC(=O)C1 A2Q [0,0,0,1,0,0|1,0,1]=3 55 B7R1.3 C1CCC(=O)CC1 CYH [0,0,0,1,0,0|1,0,0]=2 56 B7R1.3 C1CCC(CC1)O CXL [0,0,0,1,0,0|1,0,2]=4 57 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,0,0,1,0,0|2,0,1]=4 58 B7R1.3 C1CCNC(=N)C1 2IM [0,0,0,1,0,0|2,0,0]=3 59 B7R1.4 C1COC(=O)[C@H]1N HSL [0,0,0,1,0,0|1,0,0]=2 60 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [0,0,0,1,0,0|3,0,0]=4 61 B7R1.4 CN1CCCC1=O MB3 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.4 CN1CCOC1=O 3MO [0,0,0,1,0,0|1,0,0]=2 63 B4R0.1 B(CC)(O)O 3QD [2,0,0,0,0,0|1,0,1]=4 64 B4R0.1 C(=O)C(=O)O GLV [2,0,0,0,0,0|1,0,1]=4 65 B4R0.1 C(C(=O)N)F FTM [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 C(C(=O)N)N GM1 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.1 C(C(=O)O)Br BRM [2,0,0,0,0,0|1,0,0]=3 68 B4R0.1 C(C(=O)O)Br BXA [2,0,0,0,0,0|1,0,0]=3 69 B4R0.1 C(C(=O)O)Cl R3W [2,0,0,0,0,0|1,0,0]=3 70 B4R0.1 C(C(=O)O)F FAH [2,0,0,0,0,0|1,0,0]=3 71 B4R0.1 C(C(=O)O)I 04E [2,0,0,0,0,0|1,0,0]=3 72 B4R0.1 C(C(=O)O)N GLY [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 C(C(=O)O)N GLY_LFOH [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 C(C(=O)O)O GOA [2,0,0,0,0,0|1,0,0]=3 75 B4R0.1 C(C(=O)O)S MCR [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 C(C(=O)S)N GL3 [2,0,0,0,0,0|1,1,0]=4 78 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [2,0,0,0,0,0|1,0,1]=4 79 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 C=CC(=O)O AKR [2,0,0,0,0,0|0,0,2]=4 81 B4R0.1 CC(=C)CN IRS [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 CC(=O)C=O PVL [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|1,0,0]=3 87 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 CC(=O)NO HAE [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 CC(=O)OO F50 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.1 CC(=O)O[Hg+] MAC [2,0,0,0,0,0|1,0,0]=3 91 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,0]=3 93 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|0,0,0]=2 94 B4R0.1 CC[C@H](C)O SBT [2,0,0,0,0,0|0,0,2]=4 95 B4R0.1 CC[N+](=O)[O-] NIE [2,0,0,0,0,0|1,0,1]=4 96 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 97 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|1,0,0]=3 98 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|1,0,0]=3 99 B4R0.2 C(CS)C=O MPR [2,0,0,0,0,0|2,0,0]=4 100 B4R0.2 C(O)OCO 21H [2,0,0,0,0,0|2,0,0]=4 101 B4R0.2 C/C=C/C=O CRD [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 CC/C=N\O PXO [2,0,0,0,0,0|2,0,0]=4 103 B4R0.2 CCCCBr BBU [2,0,0,0,0,0|1,0,1]=4 104 B4R0.2 CCCCC LNK [2,0,0,0,0,0|0,0,1]=3 105 B4R0.2 CCCCN LYT [2,0,0,0,0,0|1,0,1]=4 106 B4R0.2 CCCCO 1BO [2,0,0,0,0,0|1,0,1]=4 107 B4R0.2 CCOC=O ETO [2,0,0,0,0,0|0,0,0]=2 108 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|0,0,0]=2 109 B4R0.2 CCOC[O-] EOM [2,0,0,0,0,0|1,0,0]=3 110 B4R0.2 COCCO MXE [2,0,0,0,0,0|1,0,1]=4 111 B4R0.2 COCC[O-] MOE [2,0,0,0,0,0|1,0,1]=4 112 B6R0.2 CC(=O)CC(=O)C P2D [1,1,0,0,0,0|1,0,1]=4 113 B6R0.2 CC(C)CC(=O)O IVA [1,1,0,0,0,0|2,0,0]=4 114 B6R0.2 C[C@@H](CC(=O)O)N B3A [1,1,0,0,0,0|2,0,0]=4 115 B6R0.2 C[C@@H](CC(=O)O)O 3HL [1,1,0,0,0,0|2,0,0]=4 116 B6R0.2 C[C@H](CC(=O)O)O 3HR [1,1,0,0,0,0|2,0,0]=4 117 B6R0.3 CC(=O)[C@H](CO)O DE2 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.3 CCC(=O)C(=O)O 2KT [1,1,0,0,0,0|2,0,0]=4 119 B6R0.3 CCC(C(=O)O)N AA3 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [1,1,0,0,0,0|2,0,0]=4 121 B6R0.3 CC[C@@H](C(=O)O)N AB7 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.3 CC[C@@H](C(=O)O)N ABA [1,1,0,0,0,0|2,0,0]=4 123 B6R0.3 CC[C@@H](C(=O)O)N UNK [1,1,0,0,0,0|2,0,0]=4 124 B6R0.3 CC[C@H](C(=O)O)N DBB [1,1,0,0,0,0|2,0,0]=4 125 B6R0.3 CC[C@H](C)C(=O)O SMB [1,1,0,0,0,0|2,0,0]=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 CCCCC(=O)O LEA [1,1,0,0,0,0|2,0,0]=4 129 B6R0.4 CCCCC(=O)O PEI [1,1,0,0,0,0|2,0,0]=4 130 B6R0.4 CCCOC(=O)C 4PA [1,1,0,0,0,0|0,0,0]=2 131 B6R0.4 CCNCC(=O)O 2JC [1,1,0,0,0,0|2,0,0]=4 132 B6R0.5 CCOP(=O)(O)O EFS [1,1,0,0,0,0|2,0,0]=4 133 B6R0.5 CCO[P@](=O)(C)O VX [1,1,0,0,0,0|1,0,0]=3 134 B6R0.6 C(COCCO)O PEG [1,1,0,0,0,0|1,0,1]=4 135 B6R0.6 CCCCCCC HP6 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.6 CCCCCCO HE2 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.6 CCCSCCO 266 [1,1,0,0,0,0|0,1,1]=4 138 B6R0.8 CC[Pb](CC)(Br)Br ZN7 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.8 CC[Sn](CC)(Cl)Cl ZN6 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.9 CCP(CC)CC 3EP [1,1,0,0,0,0|2,0,0]=4 141 B6R0.9 CC[NH+](CC)CC TEA [1,1,0,0,0,0|2,0,0]=4 142 B8R0.2 CC(C)[C@@H](C(=O)OC)N 0AA [0,2,0,0,0,0|2,0,0]=4 143 B8R0.2 CC(C)[C@@H](C(=O)OC)N VME [0,2,0,0,0,0|2,0,0]=4 144 B8R0.5 CCOC(=O)CC(=O)C EAC [0,2,0,0,0,0|0,0,0]=2 145 B8R0.30 CCN[P@](=O)(O)OCC TN7 [0,2,0,0,0,0|1,0,0]=3 146 B8R0.30 CCOP(=O)(O)OCC DPF [0,2,0,0,0,0|1,0,0]=3 147 B8R0.30 CCOP(=S)(O)OCC DPJ [0,2,0,0,0,0|1,0,1]=4 148 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,1,0,0|1,0,0]=3 149 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|0,0,0]=2 150 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,1,0,0|1,0,0]=3 151 B6R1.1 C1CCCCC1 CHX [1,0,0,1,0,0|1,0,1]=4 152 B6R1.1 C1CCNCC1 PIP [1,0,0,1,0,0|1,0,1]=4 153 B6R1.1 C1CCOCC1 PYE [1,0,0,1,0,0|0,0,1]=3 154 B6R1.1 C1COCCN1 6LR [1,0,0,1,0,0|1,0,1]=4 155 B6R1.1 C1COCCO1 DIO [1,0,0,1,0,0|1,0,1]=4 156 B6R1.1 C1COCCO1 DOX [1,0,0,1,0,0|1,0,1]=4 157 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,1,0,1,0,0|1,0,1]=4 158 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.18 CC1=C[C@@H](OC1=O)O H3M [0,1,0,1,0,0|0,0,2]=4 160 B8R1.18 CC1[C@H](O[C@@H](N1)C)C 285 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.2 C1CCN(CC1)C=O FPI [0,1,0,1,0,0|2,0,0]=4 162 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,1,0,1,0,0|1,0,0]=3 163 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,1,0,1,0,0|1,0,0]=3 164 B8R1.22 C1CCC(=O)NCC1 ICC [0,1,0,1,0,0|1,0,0]=3 165 B8R1.22 C1CCC(=O)OCC1 ECE [0,1,0,1,0,0|0,0,0]=2 166 B8R1.11 C1CC(=O)C(=C1)CO 3RN [0,1,0,1,0,0|2,0,0]=4