0 B19R0.149 BrCCCCCCCCCCCCCCCCC(=O)O 1P000VOG [0,0,0,0,0,0|1,0,0]=1 1 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O 1P00334T [0,0,0,0,0,0|0,0,2]=2 2 B19R0.149 C#CCCCCCC\C=C/CCCCCCCC(=O)O 1P01E2QM [0,0,0,0,0,0|0,0,4]=4 3 B19R0.149 CCCCC=CCCCCCCCCCCOC(=O)C 1P00DKXY [0,0,0,0,0,0|2,0,2]=4 4 B19R0.149 CCCCCC#CCC#CCCCCCCCC(=O)O 1P002DQ2 [0,0,0,0,0,0|0,0,4]=4 5 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl 1P003TXX [0,0,0,0,0,0|1,0,2]=3 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C 1P003IA1 [0,0,0,0,0,0|1,0,0]=1 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl 1P00362Y [0,0,0,0,0,0|1,0,0]=1 8 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F 1P001NK3 [0,0,0,0,0,0|1,0,0]=1 9 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N 1P003TWQ [0,0,0,0,0,0|1,0,0]=1 10 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O 1P003A0N [0,0,0,0,0,0|0,0,0]=0 11 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O 1P007MZT [0,0,0,0,0,0|0,0,0]=0 12 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O 1P00BY4H [0,0,0,0,0,0|0,0,0]=0 13 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P0001OL [0,0,0,0,0,0|0,0,1]=1 14 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P0038MM [0,0,0,0,0,0|0,0,1]=1 15 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003O9E [0,0,0,0,0,0|0,0,1]=1 16 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003OG6 [0,0,0,0,0,0|0,0,1]=1 17 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003P55 [0,0,0,0,0,0|0,0,1]=1 18 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003R1T [0,0,0,0,0,0|0,0,1]=1 19 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003RPS [0,0,0,0,0,0|0,0,1]=1 20 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003RSM [0,0,0,0,0,0|0,0,1]=1 21 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003RVY [0,0,0,0,0,0|0,0,1]=1 22 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003TJT [0,0,0,0,0,0|0,0,1]=1 23 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003UDZ [0,0,0,0,0,0|0,0,1]=1 24 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P003VUY [0,0,0,0,0,0|0,0,1]=1 25 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P007K03 [0,0,0,0,0,0|0,0,1]=1 26 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P008LP5 [0,0,0,0,0,0|0,0,1]=1 27 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 1P00H981 [0,0,0,0,0,0|0,0,1]=1 28 B19R0.149 CCCCCCCCCCCCCCCCC[13C](=O)O 1P008I0Q [0,0,0,0,0,0|0,0,0]=0 29 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C 1P0039EC [0,0,0,0,0,0|2,0,0]=2 30 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C 1P00E9YQ [0,0,0,0,0,0|2,0,0]=2 31 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl 1P002T0M [0,0,0,0,0,0|2,0,0]=2 32 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] 1P007UUV [0,0,0,0,0,0|2,0,1]=3 33 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(=O)O 1P00EG1W [0,0,0,0,0,0|0,0,2]=2 34 B19R0.149 CCCCCCCCC\C=C/CCCCCCC(=O)O 1P01IISJ [0,0,0,0,0,0|0,0,2]=2 35 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O 1P007XJO [0,0,0,0,0,0|1,0,0]=1 36 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)N 1P0037VE [0,0,0,0,0,0|1,0,2]=3 37 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O 1P0011YG [0,0,0,0,0,0|0,0,2]=2 38 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O 1P003UVF [0,0,0,0,0,0|0,0,2]=2 39 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O 1P009RBY [0,0,0,0,0,0|0,0,2]=2 40 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O 1P00HTH6 [0,0,0,0,0,0|0,0,2]=2 41 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O 1P01FLI3 [0,0,0,0,0,0|0,0,2]=2 42 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] 1P001OFH [0,0,0,0,0,0|0,0,3]=3 43 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] 1P003UDJ [0,0,0,0,0,0|0,0,3]=3 44 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] 1P007KNE [0,0,0,0,0,0|0,0,3]=3 45 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] 1P009AV3 [0,0,0,0,0,0|0,0,3]=3 46 B19R0.149 CCCCCCCC\C=C/CCCCCCC[13C](=O)O 1P00G5LP [0,0,0,0,0,0|0,0,2]=2 47 B19R0.149 CCCCCCCC\C=C/[13CH2][13CH2]CCC[13CH2][13CH2][13C](=O)O 1P027JY4 [0,0,0,0,0,0|0,0,2]=2 48 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)N 1P00DE1D [0,0,0,0,0,0|1,0,2]=3 49 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O 1P0079CD [0,0,0,0,0,0|0,0,2]=2 50 B19R0.149 CCCCCC\C=C/C=C\CCCCCCCC(=O)O 1P01EQJM [0,0,0,0,0,0|0,0,4]=4 51 B19R0.149 CCCCCC\C=C/CCCCCCCCCC(=O)O 1P00D9IR [0,0,0,0,0,0|0,0,2]=2 52 B19R0.149 CCCCCC\C=C\C=C/CCCCCCCC(=O)O 1P007NRV [0,0,0,0,0,0|0,0,4]=4 53 B19R0.149 CCCCCC\C=C\C=C\CCCCCCCC(=O)O 1P00DAQX [0,0,0,0,0,0|0,0,4]=4 54 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)O 1P003VG1 [0,0,0,0,0,0|0,0,2]=2 55 B19R0.149 CCCCC\C=C/C=C/CCCCCCCCC(=O)O 1P006XM5 [0,0,0,0,0,0|0,0,4]=4 56 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O 1P0039VM [0,0,0,0,0,0|0,0,4]=4 57 B19R0.149 CCCCC\C=C/C\C=C\CCCCCCCC(=O)O 1P006XM6 [0,0,0,0,0,0|0,0,4]=4 58 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O 1P006XSM [0,0,0,0,0,0|0,0,4]=4 59 B19R0.149 CCCC\C=C/CCCCCCCCCCCC(=O)O 1P000W9L [0,0,0,0,0,0|0,0,2]=2 60 B19R0.149 CCCC\C=C/CCCCCCCCCCOC(=O)C 1P00BZBI [0,0,0,0,0,0|2,0,2]=4 61 B19R0.149 OCCCCCCCCCCCCCCCCC(=O)O 1P000VOH [0,0,0,0,0,0|1,0,0]=1 62 B19R0.149 [N-]=[N+]=NCCCCCCCCCCCCCCC(=O)O 1P01JMEO [0,0,0,0,0,0|3,0,0]=3 63 B18R0.176 BrCCCCCCCCCCCCCCCC(=O)O 1P003EC6 [1,0,0,0,0,0|1,0,0]=2 64 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O 1P00EFYS [1,0,0,0,0,0|0,0,2]=3 65 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl 1P003RX1 [1,0,0,0,0,0|1,0,0]=2 66 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N 1P00BTC5 [1,0,0,0,0,0|1,0,0]=2 67 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O 1P00DF67 [1,0,0,0,0,0|0,0,0]=1 68 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O 1P00GRRW [1,0,0,0,0,0|0,0,0]=1 69 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] 1P001ZN2 [1,0,0,0,0,0|0,0,1]=2 70 B18R0.176 CCCCCCCCCCCCCCCCN(C)C 1P0035GG [1,0,0,0,0,0|3,0,0]=4 71 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C 1P003U1I [1,0,0,0,0,0|2,0,0]=3 72 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O 1P002Y6F [1,0,0,0,0,0|1,0,0]=2 73 B18R0.176 CCCCCCC\C=C/CCCCCCCC(=O)O 1P01SNM1 [1,0,0,0,0,0|0,0,2]=3 74 B18R0.176 CCCCCC\C=C/CCCCCCCCC(=O)O 1P002ZQZ [1,0,0,0,0,0|0,0,2]=3 75 B18R0.176 CCCCCC\C=C\CCCCCCCCC(=O)O 1P000TNK [1,0,0,0,0,0|0,0,2]=3 76 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O 1P01QI9A [1,0,0,0,0,0|1,0,0]=2 77 B18R0.176 OCCCCCCCCCCCCCCCC(=O)O 1P003ECA [1,0,0,0,0,0|1,0,0]=2 78 B18R0.176 SCCCCCCCCCCCCCCCC(=O)O 1P003ECB [1,0,0,0,0,0|1,0,0]=2 79 B18R0.176 [N-]=[N+]=NCCCCCCCCCCCCCC(=O)O 1P01JMBW [1,0,0,0,0,0|3,0,0]=4 80 B18R0.221 CCCCCCCCCCCCCCCCCC#N 1P003UW2 [1,0,0,0,0,0|1,0,1]=3 81 B18R0.221 CCCCCCCCCCCCCCCCCC=C 1P003F1A [1,0,0,0,0,0|1,0,0]=2 82 B18R0.221 CCCCCCCCCCCCCCCCCC=O 1P00EEEK [1,0,0,0,0,0|0,0,0]=1 83 B18R0.221 CCCCCCCCCCCCCCCCCCBr 1P00336Y [1,0,0,0,0,0|1,0,1]=3 84 B18R0.221 CCCCCCCCCCCCCCCCCCC 1P003TQI [1,0,0,0,0,0|1,0,1]=3 85 B18R0.221 CCCCCCCCCCCCCCCCCCCl 1P00337N [1,0,0,0,0,0|1,0,1]=3 86 B18R0.221 CCCCCCCCCCCCCCCCCCI 1P003EWI [1,0,0,0,0,0|1,0,1]=3 87 B18R0.221 CCCCCCCCCCCCCCCCCCN 1P000LTZ [1,0,0,0,0,0|1,0,1]=3 88 B18R0.221 CCCCCCCCCCCCCCCCCCN 1P003TX1 [1,0,0,0,0,0|1,0,1]=3 89 B18R0.221 CCCCCCCCCCCCCCCCCCO 1P0033AE [1,0,0,0,0,0|0,0,1]=2 90 B18R0.221 CCCCCCCCCCCCCCCCCCS 1P002XAJ [1,0,0,0,0,0|0,1,1]=3 91 B18R0.221 CCCCCCCCCCCCCCCCN=C=O 1P003RCG [1,0,0,0,0,0|1,0,1]=3 92 B18R0.221 CCCCCCCCCNCCCCCCCCC 1P0029YB [1,0,0,0,0,0|2,0,1]=4 93 B18R0.221 CCCCCCCCCSCCCCCCCCC 1P003TQY [1,0,0,0,0,0|2,0,1]=4 94 B18R0.221 CCCCCCCC\C=C/CCCCCCCC=O 1P0039RA [1,0,0,0,0,0|0,0,2]=3 95 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO 1P006WPH [1,0,0,0,0,0|0,0,3]=4 96 B18R0.221 CCCCCCCC\C=C\CCCCCCCCO 1P003VFB [1,0,0,0,0,0|0,0,3]=4 97 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O 1P0039JS [0,1,0,0,0,0|0,0,1]=2 98 B20R0.68 CCCCCCCCC(CCCCCCCCC(=O)O)O 1P00334K [0,1,0,0,0,0|0,0,0]=1 99 B20R0.68 CCCCCCCC[C@@H](\C=C\CCCCCCC(=O)O)O 1P01LITC [0,1,0,0,0,0|0,0,2]=3 100 B20R0.68 CCCCC\C=C/CC(=O)CCCCCCCCC(=O)O 1P027JXA [0,1,0,0,0,0|0,0,3]=4 101 B20R0.68 CCCCC\C=C/CC(CCCCCCCCC(=O)O)O 1P01G9UP [0,1,0,0,0,0|0,0,2]=3 102 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)O 1P00GWOZ [0,1,0,0,0,0|0,0,1]=2 103 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)O)O 1P003BHL [0,1,0,0,0,0|0,0,0]=1 104 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)O)O 1P00G6PZ [0,1,0,0,0,0|0,0,0]=1 105 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)[O-])O 1P001OL3 [0,1,0,0,0,0|0,0,1]=2 106 B20R0.90 CCCCCC[C@H](C\C=C/CCCCCCCC(=O)O)O 1P001G6E [0,1,0,0,0,0|0,0,2]=3 107 B20R0.90 CCCCCC[C@H](C\C=C/CCCCCCCC(=O)[O-])O 1P003ULK [0,1,0,0,0,0|0,0,3]=4 108 B20R0.90 CCCCCC[C@H](C\C=C/CCCCCCCC(=O)[O-])O 1P003VUV [0,1,0,0,0,0|0,0,3]=4 109 B20R0.90 CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O 1P00E0UH [0,1,0,0,0,0|0,0,2]=3 110 B20R0.90 CCCCCC[C@H](C\C=C\CCCCCCCC(=O)[O-])O 1P01XDFG [0,1,0,0,0,0|0,0,3]=4 111 B20R0.2931 CCCCCCCCCCCCCCCC(=O)CC(=O)O 1P00AQU4 [0,1,0,0,0,0|0,0,1]=2 112 B20R0.2931 CCCCCCCCCCCCCCCC(CC(=O)O)O 1P0025YH [0,1,0,0,0,0|0,0,0]=1 113 B20R0.2931 CCCCCCCCCCCCCCOC(=O)CC(=O)C 1P0063BG [0,1,0,0,0,0|2,0,1]=4 114 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)NO 1P007HEW [0,1,0,0,0,0|0,0,2]=3 115 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC 1P002P9T [0,1,0,0,0,0|0,0,2]=3 116 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC 1P0028F2 [0,1,0,0,0,0|1,0,0]=2 117 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN 1P003UVZ [0,1,0,0,0,0|1,0,0]=2 118 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC 1P003SJA [0,1,0,0,0,0|0,0,0]=1 119 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)O[Ag] 1P003UQ9 [0,1,0,0,0,0|0,0,0]=1 120 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)O[Al] 1P005J12 [0,1,0,0,0,0|0,0,0]=1 121 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)C=C 1P003RCF [0,1,0,0,0,0|2,0,0]=3 122 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CC 1P0037RR [0,1,0,0,0,0|2,0,0]=3 123 B20R0.3034 CCCCCCCCCCC\C=C/CCCCC(=O)OC 1P002V6B [0,1,0,0,0,0|0,0,2]=3 124 B20R0.3034 CCCCCCCCCCC\C=C\CCCCC(=O)OC 1P00AEF6 [0,1,0,0,0,0|0,0,2]=3 125 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)OC 1P007T70 [0,1,0,0,0,0|0,0,2]=3 126 B20R0.3034 CCCCCCCC\C=C\CCCCCCCC(=O)OC 1P003QDU [0,1,0,0,0,0|0,0,2]=3 127 B20R0.3034 CCCCCC\C=C\CCCCCCCCCC(=O)OC 1P00APGY [0,1,0,0,0,0|0,0,2]=3 128 B20R0.3034 CCCCC\C=C/CCCCCCCCCCC(=O)OC 1P00BEQW [0,1,0,0,0,0|0,0,2]=3 129 B20R0.3034 OCCCCCCCCCCCCCCCCC(=O)OC 1P005WB9 [0,1,0,0,0,0|1,0,0]=2 130 B20R0.3037 CCCCCCCCCCCCCCCCC(C(=O)O)Br 1P001HZS [0,1,0,0,0,0|0,0,0]=1 131 B20R0.3037 CCCCCCCCCCCCCCCCC(C(=O)O)Cl 1P01EQT3 [0,1,0,0,0,0|0,0,0]=1 132 B20R0.3037 CCCCCCCCCCCCCCCCC(C(=O)O)F 1P001Q6M [0,1,0,0,0,0|0,0,0]=1 133 B20R0.3037 CCCCCCCCCCCCCCCCC(C(=O)O)O 1P0011YJ [0,1,0,0,0,0|0,0,0]=1 134 B20R0.3037 CCCCCCCC\C=C/CCCCCCC(C(=O)O)O 1P003HWI [0,1,0,0,0,0|0,0,2]=3 135 B20R0.10422 CCCCCCCCCCCC(=O)CCCCCC(=O)O 1P001XH1 [0,1,0,0,0,0|0,0,1]=2 136 B20R0.17440 CCCCCCCCCC(=O)CCCCCCCC(=O)O 1P00D6H2 [0,1,0,0,0,0|0,0,1]=2 137 B20R0.26099 CCC(CCCCCCCCCCCCCCC(=O)O)C 1P00AKSE [0,1,0,0,0,0|0,0,0]=1 138 B20R0.26099 COC(=O)CCCCCCCCCCCCCCC(=O)O 1P00B283 [0,1,0,0,0,0|1,0,1]=3 139 B20R0.31940 BrCCCCCCCCCCCCCCCCCC(=O)O 1P01G86X [0,1,0,0,0,0|0,0,0]=1 140 B20R0.31940 CCCCCCCCCCCCCCC#CC#CC(=O)O 1P003GC8 [0,1,0,0,0,0|0,0,3]=4 141 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N 1P0037XV [0,1,0,0,0,0|1,0,0]=2 142 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O 1P00E9WU [0,1,0,0,0,0|0,0,0]=1 143 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C 1P002C2W [0,1,0,0,0,0|3,0,0]=4 144 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C 1P003T26 [0,1,0,0,0,0|3,0,0]=4 145 B20R0.31940 CCCCCCCCCCCCCCCCCC[S+](C)C 1P004UMR [0,1,0,0,0,0|3,0,0]=4 146 B20R0.31940 CCCCCCCCCCCCCCCCCC[S+](C)C 1P028DTH [0,1,0,0,0,0|3,0,0]=4 147 B20R0.31940 CCCCCCCCCCCCCCCCCC[Si](C)C 1P00I6LJ [0,1,0,0,0,0|2,1,0]=4 148 B20R0.31940 CCCCCCCCCCCCCCCCCOC(=O)C 1P003RBB [0,1,0,0,0,0|1,0,0]=2 149 B20R0.31940 CCCCCCCC\C=C/CCCCCCCCC(=O)O 1P00FEJ9 [0,1,0,0,0,0|0,0,1]=2 150 B20R0.31940 OCCCCCCCCCCCCCCCCCC(=O)O 1P01KKQC [0,1,0,0,0,0|0,0,0]=1 151 B20R0.31940 SCCCCCCCCCCCCCCCCCC(=O)O 1P01IQ7D [0,1,0,0,0,0|0,0,0]=1 152 B20R0.32509 CCCCCCCCCCCCCCCCC[N+](C)(C)C 1P00C3DZ [0,1,0,0,0,0|3,0,0]=4 153 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)(O)[O-] 1P002EZA [0,1,0,0,0,0|2,0,0]=3 154 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] 1P003UTC [0,1,0,0,0,0|2,0,1]=4 155 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O 1P01X6G0 [0,1,0,0,0,0|0,0,1]=2 156 B20R0.32990 CCCCCC(CCCCCCCCCCCC(=O)O)O 1P0025YG [0,1,0,0,0,0|0,0,0]=1 157 B20R0.35227 CC(CCCCCCCCCCCCCCCC(=O)O)C 1P00BCBG [0,1,0,0,0,0|0,0,0]=1 158 B20R0.35227 OC(=O)CCCCCCCCCCCCCCCC(=O)O 1P0035G5 [0,1,0,0,0,0|1,0,1]=3 159 B20R1.3309 CCCCCCCCCCCCCCC1CCC(=O)O1 1P0037LY [0,0,0,1,0,0|0,0,0]=1 160 B17R0.43 BrCCCCCCCCCCCCCCC(=O)O 1P00EHD7 [2,0,0,0,0,0|1,0,0]=3 161 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O 1P005TGP [2,0,0,0,0,0|0,0,2]=4 162 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O 1P01I4CB [2,0,0,0,0,0|0,0,2]=4 163 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O 1P006XDF [2,0,0,0,0,0|0,0,2]=4 164 B17R0.43 CCCCCCCCCCCCCCCC(=O)C 1P002Y8B [2,0,0,0,0,0|1,0,0]=3 165 B17R0.43 CCCCCCCCCCCCCCCC(=O)N 1P003RCB [2,0,0,0,0,0|1,0,0]=3 166 B17R0.43 CCCCCCCCCCCCCCCC(=O)O 1P002SZ6 [2,0,0,0,0,0|0,0,0]=2 167 B17R0.43 CCCCCCCCCCCCCCCC(=O)O 1P003A0I [2,0,0,0,0,0|0,0,0]=2 168 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] 1P003U08 [2,0,0,0,0,0|0,0,1]=3 169 B17R0.43 CCCCCCCCCCCCCCCC(O)C 1P001YBI [2,0,0,0,0,0|1,0,1]=4 170 B17R0.43 CCCCCCCCCCCCCCC[13C](=O)O 1P003U0A [2,0,0,0,0,0|0,0,0]=2 171 B17R0.43 CCCCCCCCCCCCCCOC(=O)C 1P00E9YX [2,0,0,0,0,0|2,0,0]=4 172 B17R0.43 CCCCCCCCCCCCCC[13CH2]C(=O)O 1P00BF47 [2,0,0,0,0,0|0,0,0]=2 173 B17R0.43 CCCCCCCCCCCCC\C=C/C(=O)O 1P00BERM [2,0,0,0,0,0|0,0,2]=4 174 B17R0.43 CCCCCCCCCCCCC\C=C\C(=O)O 1P003HTN [2,0,0,0,0,0|0,0,2]=4 175 B17R0.43 CCCCCCCCCCCCSCCC(=O)O 1P001E9O [2,0,0,0,0,0|1,0,0]=3 176 B17R0.43 CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](=O)O 1P01LJ38 [2,0,0,0,0,0|0,0,0]=2 177 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O 1P00B28P [2,0,0,0,0,0|0,0,2]=4 178 B17R0.43 CCCCCCCC\C=C/CCCCCC(=O)O 1P00BEQD [2,0,0,0,0,0|0,0,2]=4 179 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O 1P00I7TD [2,0,0,0,0,0|0,0,2]=4 180 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O 1P0001ZR [2,0,0,0,0,0|0,0,2]=4 181 B17R0.43 NCCCCCCCCCCCCCCC(=O)O 1P00203I [2,0,0,0,0,0|1,0,0]=3 182 B17R0.43 OCCCCCCCCCCCCCCC(=O)O 1P003EC4 [2,0,0,0,0,0|1,0,0]=3 183 B17R0.117 BrCCCCCCCCCCCCCCCCBr 1P00D9I1 [2,0,0,0,0,0|2,0,0]=4 184 B17R0.117 CCCCCCCCCCCCCCCCC#N 1P003TID [2,0,0,0,0,0|1,0,1]=4 185 B17R0.117 CCCCCCCCCCCCCCCCC=C 1P0033AF [2,0,0,0,0,0|0,0,1]=3 186 B17R0.117 CCCCCCCCCCCCCCCCC=O 1P003RB9 [2,0,0,0,0,0|0,0,0]=2 187 B17R0.117 CCCCCCCCCCCCCCCCCBr 1P003EM7 [2,0,0,0,0,0|1,0,0]=3 188 B17R0.117 CCCCCCCCCCCCCCCCCC 1P003TWR [2,0,0,0,0,0|0,0,1]=3 189 B17R0.117 CCCCCCCCCCCCCCCCCN 1P003EEM [2,0,0,0,0,0|1,0,0]=3 190 B17R0.117 CCCCCCCCCCCCCCCCCO 1P001LBZ [2,0,0,0,0,0|0,0,0]=2 191 B17R0.117 CCCCCCCCCCCCCCCCNC 1P007MYF [2,0,0,0,0,0|1,0,1]=4 192 B17R0.117 CCCCCCCCCCCCCCOCCO 1P003826 [2,0,0,0,0,0|1,0,0]=3 193 B17R0.117 OCCCCCCCCCCCCCCCCBr 1P00IAZ4 [2,0,0,0,0,0|1,0,0]=3 194 B17R0.117 OCCCCCCCCCCCCCCCCO 1P0032OM [2,0,0,0,0,0|1,0,0]=3 195 B19R0.35 CCCCCCCCCCCCCCC(CC(=O)O)O 1P0075HQ [1,1,0,0,0,0|0,0,0]=2 196 B19R0.59 CCCCCCCC(=O)CCCCCCCCC(=O)O 1P020N8K [1,1,0,0,0,0|0,0,1]=3 197 B19R0.148 BrCCCCCCCCCCCCCCCC(=O)OC 1P003S0F [1,1,0,0,0,0|1,0,0]=3 198 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC 1P001Z3G [1,1,0,0,0,0|0,0,0]=2 199 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC 1P003SGJ [1,1,0,0,0,0|0,0,2]=4 200 B19R0.148 OCCCCCCCCCCCCCCCC(=O)OC 1P01HYD6 [1,1,0,0,0,0|1,0,0]=3 201 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O 1P007ZWP [1,1,0,0,0,0|1,0,1]=4 202 B19R0.443 CC(CCCCCCCCCCCCCCC(=O)O)C 1P0030G1 [1,1,0,0,0,0|0,0,0]=2 203 B19R0.443 OC(=O)CCCCCCCCCCCCCCC(=O)O 1P0037MM [1,1,0,0,0,0|1,0,1]=4 204 B19R0.2958 C#CCCC[C@H](CCCCCCCCCCC(=O)O)O 1P001FTW [1,1,0,0,0,0|0,0,2]=4 205 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(O)O 1P003RCI [1,1,0,0,0,0|1,0,0]=3 206 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl 1P003EUE [1,1,0,0,0,0|1,0,1]=4 207 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] 1P001MU6 [1,1,0,0,0,0|1,0,1]=4 208 B19R0.26214 CCCCCCCCCC(=O)CCCCCCC(=O)O 1P024I0V [1,1,0,0,0,0|0,0,1]=3 209 B19R0.26214 CCCCCCCCCC(CCCCCCC(=O)O)O 1P024HAV [1,1,0,0,0,0|0,0,0]=2 210 B19R0.26289 CCCCCCC(=O)CCCCCCCCCC(=O)O 1P024HIK [1,1,0,0,0,0|0,0,1]=3 211 B19R0.26289 CCCCCCC(CCCCCCCCCC(=O)O)O 1P024I27 [1,1,0,0,0,0|0,0,0]=2 212 B19R0.36 BrCCCCCCCCCCCCCCCCCCBr 1P00BY1Z [1,1,0,0,0,0|1,0,1]=4 213 B19R0.36 C=CCCCCCCCCCCCCCCCCC=C 1P001FWN [1,1,0,0,0,0|1,0,1]=4 214 B19R0.36 CCCCCCCCCCCCCCCCCCC#N 1P002WD6 [1,1,0,0,0,0|1,0,1]=4 215 B19R0.36 CCCCCCCCCCCCCCCCCCC=C 1P003EQT [1,1,0,0,0,0|1,0,0]=3 216 B19R0.36 CCCCCCCCCCCCCCCCCCCBr 1P003EMA [1,1,0,0,0,0|1,0,1]=4 217 B19R0.36 CCCCCCCCCCCCCCCCCCCC 1P003QDR [1,1,0,0,0,0|1,0,1]=4 218 B19R0.36 CCCCCCCCCCCCCCCCCCCN 1P003EER [1,1,0,0,0,0|1,0,1]=4 219 B19R0.36 CCCCCCCCCCCCCCCCCCCO 1P001LC0 [1,1,0,0,0,0|0,0,1]=3 220 B19R0.36 CCCCCCCCCCCCCCCCCCNC 1P003TOU [1,1,0,0,0,0|1,0,1]=4 221 B19R0.36 CCCCCCCCCCCCCCCCCCSC 1P00746R [1,1,0,0,0,0|0,1,1]=4 222 B19R0.36 CCCCCCCCCCCCCCCCOCCO 1P00BEKF [1,1,0,0,0,0|0,0,1]=3 223 B19R0.36 OCCCCCCCCCCCCCCCCCCO 1P0037V0 [1,1,0,0,0,0|0,0,1]=3 224 B19R0.23229 CCCCCCCCCCC(CCCCCCCC)O 1P01XCYS [1,1,0,0,0,0|1,0,1]=4 225 B19R0.26208 CCCCCCCCCC(CCCCCCCCC)N 1P007H0A [1,1,0,0,0,0|1,0,1]=4 226 B19R0.26208 CCCCCCCCCC(CCCCCCCCC)O 1P001YHW [1,1,0,0,0,0|1,0,1]=4 227 B21R0.9111 CCCCCCCCC(C(CCCCCCCC(=O)O)[2H])[2H] 1P01LJ9B [0,2,0,0,0,0|0,0,0]=2 228 B21R0.10777 CCCCCCCCC(=O)CCCCCCCCC(=O)OC 1P0036TN [0,2,0,0,0,0|0,0,1]=3 229 B21R0.10777 CCCCCCCCC(CCCCCCCCC(=O)OC)O 1P006V04 [0,2,0,0,0,0|0,0,0]=2 230 B21R0.32823 CCCCCCCC[C@@H](\C=C\[C@H](CCCCCC(=O)O)O)O 1P023Z9V [0,2,0,0,0,0|0,0,2]=4 231 B21R0.36685 CCCCCCCCCC(=O)CCCCCCCCC(=O)O 1P00GRLF [0,2,0,0,0,0|0,0,0]=2 232 B21R0.21192 CCCCCCC(=O)CCCCCCCCCCC(=O)OC 1P003S0E [0,2,0,0,0,0|0,0,1]=3 233 B21R0.21192 CCCCCCC(CCCCCCCCCCC(=O)OC)O 1P001G6D [0,2,0,0,0,0|0,0,0]=2 234 B21R0.21192 CCCCCC[C@H](C\C=C/CCCCCCCC(=O)OC)O 1P001G6C [0,2,0,0,0,0|0,0,2]=4 235 B21R0.25505 CCCCCCCCCCCCCC(=O)NCCC(=O)OC 1P0283L7 [0,2,0,0,0,0|1,0,1]=4 236 B21R0.36393 CCCCCCCCCCCCCCCC(=O)CC(=O)OC 1P001L9A [0,2,0,0,0,0|0,0,1]=3 237 B21R0.36393 CCCCCCCCCCCCCCCC(CC(=O)OC)O 1P007OJW [0,2,0,0,0,0|0,0,0]=2 238 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OC=C 1P008S24 [0,2,0,0,0,0|0,0,0]=2 239 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC 1P003QXL [0,2,0,0,0,0|0,0,0]=2 240 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CC#N 1P004W41 [0,2,0,0,0,0|2,0,0]=4 241 B21R0.2907 CCCCCCCC\C=C/CCCCCCCC(=O)OCC 1P0082GZ [0,2,0,0,0,0|0,0,2]=4 242 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC 1P0038OC [0,2,0,0,0,0|0,0,1]=3 243 B21R0.24664 COC(=O)CCCCCCCCCCCCCCC(=O)OC 1P002FGR [0,2,0,0,0,0|1,0,1]=4 244 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(=O)[O-] 1P005EOU [0,2,0,0,0,0|0,0,2]=4 245 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(C)C 1P00DGJR [0,2,0,0,0,0|0,0,0]=2 246 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC 1P001Z3F [0,2,0,0,0,0|0,0,0]=2 247 B21R0.36766 CCCCCCCCCCCCCCCCOCC(CO)O 1P00EA40 [0,2,0,0,0,0|0,0,2]=4 248 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@H](CO)O 1P00DEWV [0,2,0,0,0,0|0,0,2]=4 249 B21R0.36766 CCCCCCCC\C=C/CCCCCCCCC(=O)OC 1P002BLD [0,2,0,0,0,0|0,0,1]=3 250 B21R0.36769 CCCCCCCCCCCCCCCCCC(=O)N(C)C 1P00C027 [0,2,0,0,0,0|1,0,0]=3 251 B21R0.36769 CCCCCCCCCCCCCCCCOC(=O)C(=C)C 1P002QEY [0,2,0,0,0,0|2,0,0]=4 252 B21R0.36769 CCCCCCCCCCCCCCCCOC(=O)C(O)C 1P003P8D [0,2,0,0,0,0|1,0,0]=3 253 B21R0.37123 CCCCCCCCCCCCCCCCC(C(=O)O)([2H])[2H] 1P00AQ16 [0,2,0,0,0,0|0,0,0]=2 254 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)O 1P00BER9 [0,2,0,0,0,0|0,0,1]=3 255 B21R0.81 BrCCCCCCCCCCCCCCCCCCC(=O)O 1P008OAP [0,2,0,0,0,0|0,0,0]=2 256 B21R0.81 CCCCCC=CCC=CCCCCCCCCCC(=O)O 1P002KI7 [0,2,0,0,0,0|0,0,2]=4 257 B21R0.81 CCCCCCCCCCCCCCCCCC=CC(=O)O 1P006EQH [0,2,0,0,0,0|0,0,0]=2 258 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)C 1P007OOA [0,2,0,0,0,0|1,0,0]=3 259 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)N 1P0037MC [0,2,0,0,0,0|1,0,0]=3 260 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O 1P0036OO [0,2,0,0,0,0|0,0,0]=2 261 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)[O-] 1P0011BO [0,2,0,0,0,0|0,0,1]=3 262 B21R0.81 CCCCCCCCCCCCCCCCCCNC(=O)C 1P0037QH [0,2,0,0,0,0|1,0,0]=3 263 B21R0.81 CCCCCCCCCCCCCCCCCCNC(=O)N 1P003TPS [0,2,0,0,0,0|1,0,0]=3 264 B21R0.81 CCCCCCCCCCCCCCCCCCOC(=O)C 1P003TWX [0,2,0,0,0,0|1,0,0]=3 265 B21R0.81 CCCCCCCCCCCCCCCCC\C=C\C(=O)O 1P01FGPN [0,2,0,0,0,0|0,0,0]=2 266 B21R0.81 CCCCCCCCCCC\C=C/CCCCCCC(=O)O 1P0057HD [0,2,0,0,0,0|0,0,0]=2 267 B21R0.81 CCCCCCCCCC\C=C/CCCCCCCC(=O)O 1P002Y4M [0,2,0,0,0,0|0,0,0]=2 268 B21R0.81 CCCCCCCC\C=C/CCCCCCCCCC(=O)O 1P003PEC [0,2,0,0,0,0|0,0,0]=2 269 B21R0.81 CCCCCCCC\C=C\CCCCCCCCCC(=O)O 1P00EBLI [0,2,0,0,0,0|0,0,0]=2 270 B21R0.81 CCCCCC\C=C/CCCCCCCCCCCC(=O)O 1P0025QW [0,2,0,0,0,0|0,0,0]=2 271 B21R0.81 CCCCCC\C=C/CCCCCCCCCCOC(=O)C 1P00EC1U [0,2,0,0,0,0|1,0,1]=4 272 B21R0.81 CCCCC\C=C/CCCCCCCCCCCCC(=O)O 1P01FGPZ [0,2,0,0,0,0|0,0,0]=2 273 B21R0.81 CCCCC\C=C/CCCCCCC\C=C/CCCC(=O)O 1P001756 [0,2,0,0,0,0|0,0,2]=4 274 B21R0.81 CCCCC\C=C/CCCC\C=C/CCCCCCC(=O)O 1P009C3N [0,2,0,0,0,0|0,0,2]=4 275 B21R0.81 CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O 1P00DXYH [0,2,0,0,0,0|0,0,2]=4 276 B21R0.81 CCCC\C=C/CCCCCCCCCCCCOC(=O)C 1P00EBPU [0,2,0,0,0,0|1,0,1]=4 277 B21R0.81 ClCCCCCCOCCOCCOCCCCCC(=O)O 1P01DYVR [0,2,0,0,0,0|2,0,0]=4 278 B21R0.81 OCCCCCCCCCCCCCCCCCCC(=O)O 1P01XDAX [0,2,0,0,0,0|0,0,0]=2 279 B21R0.81 [N-]=[N+]=NCCCCCCCCCCCCCCCCC(=O)O 1P02857J [0,2,0,0,0,0|1,0,0]=3 280 B21R0.9014 OC(=O)CCCCCCCCCCCCCCCCC(=O)O 1P003TWS [0,2,0,0,0,0|0,0,1]=3 281 B21R0.36399 CCCCCCCCCCCCCCCCCCP(=O)(O)O 1P0035VC [0,2,0,0,0,0|1,0,0]=3 282 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] 1P001ACC [0,2,0,0,0,0|1,0,1]=4 283 B21R0.39788 OC(=O)CCCCCCCCCCCCCCCC([2H])([2H])[2H] 1P00BF2N [0,2,0,0,0,0|1,0,0]=3 284 B21R0.39788 OC(=O)CCCCCCCCCCCCCCCP(=O)(O)O 1P0072F7 [0,2,0,0,0,0|2,0,0]=4 285 B21R1.17805 CCCCCCCCC1=C(C1)CCCCCCCC(=O)O 1P008Q5N [0,1,0,1,0,0|0,0,1]=3 286 B21R1.17805 CCCCCCCCC1OC1CCCCCCCC(=O)O 1P00C2UY [0,1,0,1,0,0|0,0,0]=2 287 B21R1.17805 CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O 1P00DEUT [0,1,0,1,0,0|0,0,0]=2 288 B21R1.17781 CCCCCCCCCCCCCCCCCCC1OC1 1P002BHV [0,1,0,1,0,0|1,0,1]=4