0 B8R0.23 C=C(CC(=O)O)C(=O)O HR123624 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.23 CC(=O)NC(C)C(=O)O HR123754 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 CC(=O)NC(C)C(=O)O HR130455 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CC(=O)NC(C)C(=O)O HR139475 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 CC(=O)NC(C)C(N)=O HR123489 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 CC(=O)OC(C)C(=O)Cl HR134862 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 CC(=O)OC(C)C(=O)O HR114068 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.23 CC(=O)OC(C)C(=O)O HR117573 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.23 CC(=O)OC(C)C(C)=O HR135424 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.23 CC(C)C(N)CC(=O)O HR115576 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(C)C(N)CC(=O)O HR119755 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CC(C)CC(Br)C(=O)O HR148644 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.23 CC(C)CC(Cl)C(=O)O HR103256 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.23 CC(C)CC(N)C(=O)O HR120455 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.23 CC(C)CC(N)C(=O)O HR133560 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.23 CC(C)CC(N)C(=O)O HR134259 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.23 CC(C)CC(N)C(=O)O TYJB00201 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.23 CC(C)CC(O)C(=O)O HR104232 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.23 CC(C)CC(O)C(=O)O HR121662 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.23 CC(CC(=O)O)C(=O)O HR106543 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.23 CC(CC(=O)O)C(=O)O HR134361 [0,0,0,0,0,0|1,0,0]=1 21 B8R0.23 CC(O)C(N)CC(=O)O HR146732 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.23 CN(CC(=O)O)C(=N)N HR101258 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.23 CN(CC(=O)O)C(=N)N HR104943 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.23 CN(CC(=O)O)C(=N)N HR108345 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.23 CN(CC(=O)O)C(=N)N HR123069 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.23 CN(CC(=O)O)C(=N)N HR123336 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.23 CN(CC(=O)O)C(=N)N HR136360 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.23 CN(CC(=O)O)C(=N)N HR142494 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.23 CN(CC(=O)O)C(=S)S HR141189 [0,0,0,0,0,0|2,2,0]=4 30 B8R0.23 CS(=O)CC(N)C(=O)O HR134447 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122671 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122936 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.23 NC(=O)C(N)CC(=O)O HR124658 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.23 NC(=O)CC(N)C(=O)O HR128740 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.23 NC(=O)CC(N)C(=O)O HR129004 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.23 NC(=O)CC(N)C(=O)O HR129935 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.23 NC(=O)CC(N)C(=O)O HR133228 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.23 NC(=O)CC(N)C(=O)O HR133501 [0,0,0,0,0,0|2,0,0]=2 39 B8R0.23 NC(CC(=O)O)C(=O)O HR126814 [0,0,0,0,0,0|1,0,0]=1 40 B8R0.23 NC(CC(=O)O)C(=O)O HR135475 [0,0,0,0,0,0|1,0,0]=1 41 B8R0.23 NC(CC(=O)O)C(=O)O TECQ02802 [0,0,0,0,0,0|1,0,0]=1 42 B8R0.23 NC(CC(=O)[O-])C(=O)O HR125029 [0,0,0,0,0,0|1,0,1]=2 43 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] HR100462 [0,0,0,0,0,0|1,0,2]=3 44 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] HR122447 [0,0,0,0,0,0|1,0,2]=3 45 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] HR130122 [0,0,0,0,0,0|1,0,2]=3 46 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] HR130384 [0,0,0,0,0,0|1,0,2]=3 47 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] HR130643 [0,0,0,0,0,0|1,0,2]=3 48 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] HR130919 [0,0,0,0,0,0|1,0,2]=3 49 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] HR136323 [0,0,0,0,0,0|1,0,2]=3 50 B8R0.23 O=C(O)CC(=O)C(=O)O HR132056 [0,0,0,0,0,0|0,0,2]=2 51 B8R0.23 O=C(O)CC(Br)C(=O)O HR127726 [0,0,0,0,0,0|1,0,0]=1 52 B8R0.23 O=C(O)CC(Br)C(=O)O HR127823 [0,0,0,0,0,0|1,0,0]=1 53 B8R0.23 O=C(O)CC(Cl)C(=O)O HR109410 [0,0,0,0,0,0|1,0,0]=1 54 B8R0.23 O=C(O)CC(O)C(=O)O HR129431 [0,0,0,0,0,0|0,0,0]=0 55 B8R0.23 O=C(O)CC(O)C(=O)O HR131010 [0,0,0,0,0,0|0,0,0]=0 56 B8R0.23 O=C(O)CC(O)C(=O)O HR135274 [0,0,0,0,0,0|0,0,0]=0 57 B8R0.23 O=C(O)CC(O)C(=O)O HR7917 [0,0,0,0,0,0|0,0,0]=0 58 B8R0.23 O=C(O)CC(S)C(=O)O HR123669 [0,0,0,0,0,0|0,1,0]=1 59 B8R0.23 O=C([O-])CC(O)C(=O)[O-] HR125573 [0,0,0,0,0,0|0,0,2]=2 60 B8R0.23 O=C([O-])CC(O)C(=O)[O-] HR132579 [0,0,0,0,0,0|0,0,2]=2 61 B8R0.23 O=C([O-])CC(O)C(=O)[O-] HR135250 [0,0,0,0,0,0|0,0,2]=2 62 B7R0.2 CCC(C)CC(=O)O HR11273 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.2 CCC(C)CC(=O)O HR135865 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.2 CCC(N)CC(=O)O HR114631 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.2 CCC(N)CC(=O)O HR143295 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.2 CCC(N)CC(=O)O HR147022 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.2 NCC(O)CC(=O)O HR137304 [1,0,0,0,0,0|1,0,1]=3 68 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.5 C#CCC(N)C(=O)O HR133685 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.5 C#CCC(N)C(=O)O HR135675 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.5 C#CCC(N)C(=O)O HR135939 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.5 C=CCC(C)C(=O)O HR143156 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.5 C=CCC(N)C(=O)O HR106860 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.5 C=CCC(N)C(=O)O HR119232 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.5 C=CCC(N)C(=O)O HR134381 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.5 C=CCC(N)C(=O)O HR136466 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.5 C=CCC(N)C(=O)O HR138518 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.5 CCCC(Br)C(=O)O HR114924 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.5 CCCC(C)C(=O)O HR131664 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.5 CCCC(N)C(=O)O HR122649 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.5 CCCC(N)C(=O)O HR136723 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.5 CCCC(N)C(=O)O HR138486 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.5 CNCC(N)C(=O)O HR146211 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.5 COCC(N)C(=O)O HR108882 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.5 COCC(N)C(=O)O HR109701 [1,0,0,0,0,0|3,0,0]=4 86 B7R0.5 COCC(N)C(=O)O HR110015 [1,0,0,0,0,0|3,0,0]=4 87 B7R0.5 COCC(N)C(=O)O HR115078 [1,0,0,0,0,0|3,0,0]=4 88 B7R0.5 COCC(N)C(=O)O HR115700 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.5 CSCC(N)C(=O)O HR134174 [1,0,0,0,0,0|3,0,0]=4 90 B7R0.5 NC(CCBr)C(=O)O HR102483 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.5 NC(CCO)C(=O)O HR122160 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.5 NC(CCO)C(=O)O HR127129 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.5 NC(CCO)C(=O)O HR129910 [1,0,0,0,0,0|1,0,1]=3 94 B7R0.5 NC(CCS)C(=O)O HR100636 [1,0,0,0,0,0|1,1,1]=4 95 B7R0.5 NC(CCS)C(=O)O HR137923 [1,0,0,0,0,0|1,1,1]=4 96 B7R0.5 NCCC(N)C(=O)O HR112825 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.5 NCCC(N)C(=O)O HR14752 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.5 O=C(O)C(Br)CCBr HR138979 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.6 CC(=O)CCC(=O)O HR127576 [1,0,0,0,0,0|1,0,0]=2 100 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [1,0,0,0,0,0|1,0,1]=3 101 B7R0.6 CC(=O)CCC(C)=O HR125376 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.6 CC(=O)CNC(C)=O HR146276 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.6 CC(=O)COC(C)=O HR123551 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.6 CC(=O)NCC(=O)O HR138579 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.6 CC(=O)OCC(=O)O HR120464 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.6 CC(C)=CCC(=O)O HR108591 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.6 CC(C)CCC(=O)O HR141883 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.6 CN(C)CCC(=O)O HR114553 [1,0,0,0,0,0|3,0,0]=4 110 B7R0.6 CN(C)CCC(=O)O HR147791 [1,0,0,0,0,0|3,0,0]=4 111 B7R0.6 C[S+](C)CCC(=O)O HR107679 [1,0,0,0,0,0|3,0,0]=4 112 B7R0.6 N=C(N)NCC(=O)O HR123411 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.6 N=C(N)SCC(=O)O HR122670 [1,0,0,0,0,0|3,0,0]=4 114 B7R0.6 N=C(N)SCC(=O)O HR134877 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.6 NC(=O)\C=C\C(=O)O HR128108 [1,0,0,0,0,0|1,0,2]=4 116 B7R0.6 O=C(O)C#CC(=O)O HR129033 [1,0,0,0,0,0|0,0,2]=3 117 B7R0.6 O=C(O)CCC(=O)O HR128111 [1,0,0,0,0,0|0,0,0]=1 118 B7R0.6 O=C(O)CCC(=O)O HR135208 [1,0,0,0,0,0|0,0,0]=1 119 B7R0.6 O=C(O)CC[N+](=O)[O-] HR32205 [1,0,0,0,0,0|1,0,1]=3 120 B7R0.6 O=C(O)\C=C\C(=O)O AVCQ00606 [1,0,0,0,0,0|0,0,2]=3 121 B7R0.6 O=C(O)\C=C\C(=O)O HR130667 [1,0,0,0,0,0|0,0,2]=3 122 B7R0.6 O=C(O)\C=C\C(=O)O HR144505 [1,0,0,0,0,0|0,0,2]=3 123 B7R0.6 O=C([O-])C#CC(=O)O HR129812 [1,0,0,0,0,0|0,0,3]=4 124 B7R0.6 O=C([O-])CCC(=O)[O-] HR137845 [1,0,0,0,0,0|0,0,2]=3 125 B7R0.6 O=C([O-])CCC(=O)[O-] HR138100 [1,0,0,0,0,0|0,0,2]=3 126 B7R0.6 O=C([O-])CCC(=O)[O-] HR138359 [1,0,0,0,0,0|0,0,2]=3 127 B7R0.6 O=C([O-])\C=C\C(=O)O HR126362 [1,0,0,0,0,0|0,0,3]=4 128 B7R0.6 O=C([O-])\C=C\C(=O)O HR126685 [1,0,0,0,0,0|0,0,3]=4 129 B7R0.6 O=C([O-])\C=C\C(=O)O HR136832 [1,0,0,0,0,0|0,0,3]=4 130 B9R0.11 CC(C)(CC(=O)O)C(=O)O HR131080 [0,1,0,0,0,0|1,0,0]=2 131 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR139226 [0,1,0,0,0,0|1,0,0]=2 132 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR144261 [0,1,0,0,0,0|1,0,0]=2 133 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR144355 [0,1,0,0,0,0|1,0,0]=2 134 B9R0.11 CC(O)(CC(=O)O)C(=O)O HR101544 [0,1,0,0,0,0|0,0,0]=1 135 B9R0.11 O=C(O)CC(F)(F)C(=O)O HR100703 [0,1,0,0,0,0|1,0,0]=2 136 B9R0.23 COC(=O)C(N)CC(=O)O HR102461 [0,1,0,0,0,0|1,0,0]=2 137 B9R0.23 COC(=O)C(N)CC(=O)O HR129643 [0,1,0,0,0,0|1,0,0]=2 138 B9R0.23 COC(=O)C(N)CC(=O)O HR144063 [0,1,0,0,0,0|1,0,0]=2 139 B9R0.23 COC(=O)C(N)CC(N)=O HR136476 [0,1,0,0,0,0|2,0,0]=3 140 B9R0.39 CC(=O)NC(CO)C(=O)O HR143966 [0,1,0,0,0,0|2,0,0]=3 141 B9R0.39 CC(=O)NC(CS)C(=O)O HR137549 [0,1,0,0,0,0|2,1,0]=4 142 B9R0.39 CCC(CC(=O)O)C(=O)O HR109137 [0,1,0,0,0,0|1,0,0]=2 143 B9R0.39 CNC(CC(=O)O)C(=O)O HR135615 [0,1,0,0,0,0|1,0,0]=2 144 B9R0.39 CNC(CC(=O)O)C(=O)O HR139312 [0,1,0,0,0,0|1,0,0]=2 145 B9R0.42 C=CC(=O)NC(O)C(=O)O HR145509 [0,1,0,0,0,0|2,0,0]=3 146 B9R0.42 COC(=O)CC(=O)C(=O)O HR32427 [0,1,0,0,0,0|0,0,2]=3 147 B9R0.42 COC(=O)CC(C)C(=O)O HR145793 [0,1,0,0,0,0|1,0,0]=2 148 B9R0.42 COC(=O)CC(C)C(=O)O HR145794 [0,1,0,0,0,0|1,0,0]=2 149 B9R0.42 COC(=O)CC(N)C(=O)O HR126403 [0,1,0,0,0,0|1,0,0]=2 150 B9R0.42 COC(=O)CC(N)C(=O)O HR133636 [0,1,0,0,0,0|1,0,0]=2 151 B9R0.42 COC(=O)CC(N)C(=O)O HR144163 [0,1,0,0,0,0|1,0,0]=2 152 B9R0.79 CC(C(=O)O)C(N)C(=O)O HR10166 [0,1,0,0,0,0|1,0,0]=2 153 B9R0.79 CC(C)C(O)C(N)C(=O)O HR142318 [0,1,0,0,0,0|2,0,1]=4 154 B9R0.79 CC(C)C(O)C(N)C(=O)O HR142415 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.79 CC(C)C(O)C(N)C(=O)O HR142502 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.79 CC(O)C(C)C(N)C(=O)O HR120699 [0,1,0,0,0,0|2,0,1]=4 157 B9R0.79 CC(O)C(C)C(N)C(=O)O HR120942 [0,1,0,0,0,0|2,0,1]=4 158 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O HR138105 [0,1,0,0,0,0|1,0,0]=2 159 B9R0.79 O=C(O)C(O)C(O)C(=O)O ESSA02702 [0,1,0,0,0,0|0,0,0]=1 160 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR111175 [0,1,0,0,0,0|0,0,0]=1 161 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR122874 [0,1,0,0,0,0|0,0,0]=1 162 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR124088 [0,1,0,0,0,0|0,0,0]=1 163 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR124341 [0,1,0,0,0,0|0,0,0]=1 164 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR128904 [0,1,0,0,0,0|0,0,0]=1 165 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR134657 [0,1,0,0,0,0|0,0,0]=1 166 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR138162 [0,1,0,0,0,0|0,0,0]=1 167 B9R0.79 O=C(O)C(O)C(O)C(=O)O HR149070 [0,1,0,0,0,0|0,0,0]=1 168 B9R0.79 O=C(O)C(S)C(S)C(=O)O HR126227 [0,1,0,0,0,0|0,1,0]=2 169 B9R0.79 O=C([O-])C(O)C(O)C(=O)O HR123818 [0,1,0,0,0,0|0,0,1]=2 170 B9R0.79 O=C([O-])C(O)C(O)C(=O)O HR131266 [0,1,0,0,0,0|0,0,1]=2 171 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] HR109820 [0,1,0,0,0,0|0,0,2]=3 172 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] HR120605 [0,1,0,0,0,0|0,0,2]=3 173 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] HR123404 [0,1,0,0,0,0|0,0,2]=3 174 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] HR125400 [0,1,0,0,0,0|0,0,2]=3 175 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] HR132085 [0,1,0,0,0,0|0,0,2]=3 176 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] HR136321 [0,1,0,0,0,0|0,0,2]=3 177 B9R1.35 O=C(O)C1=CC(O)=NO1 HR114834 [0,0,0,1,0,0|1,0,2]=4 178 B9R1.35 O=C(O)C1CC(O)CN1 HR101774 [0,0,0,1,0,0|2,0,1]=4 179 B9R1.35 O=C(O)C1CC(O)CN1 HR117442 [0,0,0,1,0,0|2,0,1]=4 180 B9R1.35 O=C(O)C1CC(O)CN1 HR130957 [0,0,0,1,0,0|2,0,1]=4 181 B9R1.35 O=C(O)C1CC(O)CN1 HR133285 [0,0,0,1,0,0|2,0,1]=4 182 B9R1.35 O=C(O)C1CC(O)CN1 HR134096 [0,0,0,1,0,0|2,0,1]=4 183 B9R1.35 O=C(O)C1CC(O)CN1 HR136136 [0,0,0,1,0,0|2,0,1]=4 184 B9R1.35 O=C(O)C1CC(O)CN1 HR139314 [0,0,0,1,0,0|2,0,1]=4 185 B9R1.35 O=C(O)C1CCC(O)C1 HR145784 [0,0,0,1,0,0|2,0,1]=4 186 B9R1.35 O=C(O)C1CCC(O)C1 HR145786 [0,0,0,1,0,0|2,0,1]=4 187 B9R1.35 O=C(O)C1CCC(O)C1 HR145787 [0,0,0,1,0,0|2,0,1]=4 188 B9R1.35 O=C(O)C1CCC(O)C1 HR145788 [0,0,0,1,0,0|2,0,1]=4 189 B9R1.35 O=C1CCC(C(=O)O)C1 HR108854 [0,0,0,1,0,0|2,0,0]=3 190 B9R1.35 O=C1CCC(C(=O)O)C1 HR114929 [0,0,0,1,0,0|2,0,0]=3 191 B9R1.35 O=C1CCC(C(=O)O)C1 HR145811 [0,0,0,1,0,0|2,0,0]=3 192 B9R1.35 O=C1CCC(C(=O)O)N1 FAXM00201 [0,0,0,1,0,0|3,0,0]=4 193 B9R1.35 O=C1CCC(C(=O)O)N1 HR124489 [0,0,0,1,0,0|3,0,0]=4 194 B9R1.35 O=C1CCC(C(=O)O)N1 HR8103 [0,0,0,1,0,0|3,0,0]=4 195 B9R1.35 O=C1CCC(C(=O)O)O1 HR127855 [0,0,0,1,0,0|3,0,0]=4 196 B9R1.35 O=C1NC(C(=O)O)CS1 HR131860 [0,0,0,1,0,0|2,1,0]=4 197 B9R1.161 O=C(O)C1CC1C(=O)O HR101303 [0,0,0,1,0,0|1,0,0]=2 198 B9R1.161 O=C(O)C1CC1C(=O)O HR106060 [0,0,0,1,0,0|1,0,0]=2 199 B9R1.164 CC1(O)CC(C(=O)O)C1 HR144492 [0,0,0,1,0,0|2,0,1]=4 200 B7R0.16 CC(=O)C(C)C(C)=O HR142176 [0,0,0,0,1,0|3,0,0]=4 201 B7R0.16 CC(=O)C(Cl)C(C)=O HR147348 [0,0,0,0,1,0|3,0,0]=4 202 B7R0.16 CC(C(=O)Cl)C(=O)Cl HR101155 [0,0,0,0,1,0|3,0,0]=4 203 B7R0.16 CC(C(N)=O)C(N)=O HR106837 [0,0,0,0,1,0|3,0,0]=4 204 B7R0.16 CC(C)C(O)C(=O)O HR124143 [0,0,0,0,1,0|2,0,1]=4 205 B7R0.16 CC(O)C(N)C(=O)O HR126335 [0,0,0,0,1,0|2,0,1]=4 206 B7R0.16 CC(O)C(N)C(=O)O HR128851 [0,0,0,0,1,0|2,0,1]=4 207 B7R0.16 CC(O)C(N)C(=O)O HR129391 [0,0,0,0,1,0|2,0,1]=4 208 B7R0.16 CC(O)C(N)C(=O)O HR129491 [0,0,0,0,1,0|2,0,1]=4 209 B7R0.16 CC(O)C(N)C(=O)O HR135216 [0,0,0,0,1,0|2,0,1]=4 210 B7R0.16 CC(O)C(N)C(=O)O HR138779 [0,0,0,0,1,0|2,0,1]=4 211 B7R0.16 NC(=O)C(N)C(N)=O BRSA08323 [0,0,0,0,1,0|3,0,0]=4 212 B7R0.16 NC(=O)C(N)C(N)=O HR148596 [0,0,0,0,1,0|3,0,0]=4 213 B7R0.16 NC(C(=O)O)C(=O)O HR133757 [0,0,0,0,1,0|1,0,0]=2 214 B7R0.16 O=C(O)C(=O)C(=O)O HR145722 [0,0,0,0,1,0|0,0,2]=3 215 B7R0.16 O=C(O)C(O)C(=O)O HR2066 [0,0,0,0,1,0|0,0,0]=1 216 B9R0.7 CC(=O)OCC(N)C(=O)O HR139137 [0,0,0,0,0,1|2,0,0]=3 217 B9R0.7 CC(=O)SCC(C)C(=O)Cl HR125529 [0,0,0,0,0,1|3,0,0]=4 218 B9R0.7 CC(=O)SCC(C)C(=O)Cl HR141048 [0,0,0,0,0,1|3,0,0]=4 219 B9R0.7 CC(=O)SCC(C)C(=O)O HR133969 [0,0,0,0,0,1|2,0,0]=3 220 B9R0.7 CC(=O)SCC(C)C(=O)O HR145506 [0,0,0,0,0,1|2,0,0]=3 221 B9R0.7 CC(CCC(=O)O)C(=O)O HR145824 [0,0,0,0,0,1|1,0,0]=2 222 B9R0.7 CC(CCC(=O)O)C(=O)O HR145825 [0,0,0,0,0,1|1,0,0]=2 223 B9R0.7 CC(CCC(=O)O)C(=O)O HR145826 [0,0,0,0,0,1|1,0,0]=2 224 B9R0.7 CS(=O)CCC(N)C(=O)O HR111901 [0,0,0,0,0,1|3,0,0]=4 225 B9R0.7 CS(=O)CCC(N)C(=O)O HR140530 [0,0,0,0,0,1|3,0,0]=4 226 B9R0.7 N=C(N)NCC(N)C(=O)O HR115731 [0,0,0,0,0,1|3,0,0]=4 227 B9R0.7 NC(=O)CCC(N)C(=O)O HR120771 [0,0,0,0,0,1|2,0,0]=3 228 B9R0.7 NC(=O)CCC(N)C(=O)O HR124237 [0,0,0,0,0,1|2,0,0]=3 229 B9R0.7 NC(=O)CCC(N)C(=O)O HR131835 [0,0,0,0,0,1|2,0,0]=3 230 B9R0.7 NC(=O)CCC(N)C(=O)O HR133670 [0,0,0,0,0,1|2,0,0]=3 231 B9R0.7 NC(CCC(=O)O)B(O)O HR32502 [0,0,0,0,0,1|2,0,1]=4 232 B9R0.7 NC(CCC(=O)O)B(O)O HR32503 [0,0,0,0,0,1|2,0,1]=4 233 B9R0.7 NC(CCC(=O)O)C(=O)O HR126593 [0,0,0,0,0,1|1,0,0]=2 234 B9R0.7 NC(CCC(=O)O)C(=O)O HR129986 [0,0,0,0,0,1|1,0,0]=2 235 B9R0.7 NC(CCC(=O)O)C(=O)O HR130515 [0,0,0,0,0,1|1,0,0]=2 236 B9R0.7 NC(CCC(=O)O)C(=O)O HR131250 [0,0,0,0,0,1|1,0,0]=2 237 B9R0.7 NC(CCC(=O)O)C(=O)O HR132775 [0,0,0,0,0,1|1,0,0]=2 238 B9R0.7 NC(CCC(=O)O)C(=O)O HR133402 [0,0,0,0,0,1|1,0,0]=2 239 B9R0.7 NC(CCC(=O)O)C(=O)O HR137048 [0,0,0,0,0,1|1,0,0]=2 240 B9R0.7 NC(CCC(=O)O)C(=O)[O-] HR129303 [0,0,0,0,0,1|1,0,1]=3 241 B9R0.7 NC(CCC(=O)O)C(=O)[O-] HR129994 [0,0,0,0,0,1|1,0,1]=3 242 B9R0.7 NC(CCC(=O)[O-])C(=O)[O-] HR117686 [0,0,0,0,0,1|1,0,2]=4 243 B9R0.7 NC(CCC(=O)[O-])C(=O)[O-] HR145556 [0,0,0,0,0,1|1,0,2]=4 244 B9R0.7 NC(CCC(=O)[O-])C(=O)[O-] HR145627 [0,0,0,0,0,1|1,0,2]=4 245 B9R0.7 O=C(O)CCC(=O)C(=O)O HR128966 [0,0,0,0,0,1|0,0,2]=3 246 B9R0.7 O=C(O)CCC(=O)C(=O)O HR129232 [0,0,0,0,0,1|0,0,2]=3 247 B9R0.7 O=C(O)CCC(=O)C(=O)O HR136888 [0,0,0,0,0,1|0,0,2]=3 248 B9R0.7 O=C(O)CCC(O)C(=O)O HR145130 [0,0,0,0,0,1|0,0,0]=1 249 B9R0.7 O=C([O-])CCC(=O)C(=O)O HR100275 [0,0,0,0,0,1|0,0,3]=4 250 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] HR107563 [0,0,0,0,0,1|0,0,2]=3 251 B9R0.53 CC(CC(=O)O)CC(=O)O HR135338 [0,0,0,0,0,1|1,0,0]=2 252 B9R0.53 CN(CC(=O)O)CC(=O)O HR110495 [0,0,0,0,0,1|2,0,0]=3 253 B9R0.53 O=C(O)CC(=O)CC(=O)O HR132354 [0,0,0,0,0,1|0,0,2]=3 254 B6R0.1 OCCC(O)CO HR115817 [2,0,0,0,0,0|0,0,2]=4 255 B6R0.1 OCCC(O)CO HR123987 [2,0,0,0,0,0|0,0,2]=4 256 B6R0.1 OCCC(O)CO HR130974 [2,0,0,0,0,0|0,0,2]=4 257 B6R0.2 CC(C)CC(=O)O HR123359 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.2 CC(N)CC(=O)O HR103780 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.2 CC(N)CC(=O)O HR116211 [2,0,0,0,0,0|1,0,1]=4 260 B6R0.2 CC(N)CC(=O)O HR120488 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.2 CC(N)CC(=O)O HR124863 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.2 CC(O)CC(=O)[O-] HR147106 [2,0,0,0,0,0|0,0,2]=4 263 B6R0.2 O=C(O)CC(=O)O DACQ01002 [2,0,0,0,0,0|0,0,1]=3 264 B6R0.2 O=C(O)CC(=O)O HR144418 [2,0,0,0,0,0|0,0,1]=3 265 B6R0.4 C#CCCC(=O)O HR101408 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.4 C=CCCC(=O)Cl HR106043 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.4 C=CCCC(=O)O HR128583 [2,0,0,0,0,0|1,0,0]=3 268 B6R0.4 CC(=O)CCCO HR136959 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.4 CNCCC(=O)O HR100194 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.4 N#CCCC(=O)O HR103469 [2,0,0,0,0,0|1,0,1]=4 271 B6R0.4 NCCCC(=O)O HR130958 [2,0,0,0,0,0|1,0,1]=4 272 B6R0.4 O=C(O)CCCBr HR131673 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.4 O=C(O)CCCCl HR120152 [2,0,0,0,0,0|1,0,1]=4 274 B6R0.4 O=CCCC(=O)O HR134907 [2,0,0,0,0,0|0,0,0]=2 275 B6R0.4 O=CCC[N+](=O)[O-] HR114611 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.3 C=CC(N)C(=O)O HR139947 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.3 C=CC(N)C(=O)O HR146204 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.3 CC(CN)C(=O)O HR133030 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.3 CCC(Br)C(=O)O HR123595 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.3 CCC(C)C(=O)O HR124401 [2,0,0,0,0,0|1,0,1]=4 281 B6R0.3 CCC(C)C(=O)O HR124666 [2,0,0,0,0,0|1,0,1]=4 282 B6R0.3 CCC(Cl)C(=O)O HR104193 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.3 CCC(Cl)C(=O)O HR104505 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.3 CCC(N)C(=O)O HR100731 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.3 CCC(N)C(=O)O HR128531 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.3 CCC(N)C(=O)O HR128797 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.3 CCC(N)C(=O)O HR130831 [2,0,0,0,0,0|1,0,1]=4 288 B6R0.3 CCC(N)C(=O)O VOJL00901 [2,0,0,0,0,0|1,0,1]=4 289 B6R0.3 CCC(O)C(=O)O HR145745 [2,0,0,0,0,0|0,0,1]=3 290 B6R0.3 CCC(O)C(=O)O HR8265 [2,0,0,0,0,0|0,0,1]=3 291 B6R0.3 NC(=O)C(N)CO HR115072 [2,0,0,0,0,0|2,0,0]=4 292 B6R0.3 NC(CO)C(=O)O HR10704 [2,0,0,0,0,0|1,0,0]=3 293 B6R0.3 NC(CO)C(=O)O HR11003 [2,0,0,0,0,0|1,0,0]=3 294 B6R0.3 NC(CO)C(=O)O HR136009 [2,0,0,0,0,0|1,0,0]=3 295 B6R0.3 NC(CS)C(=O)O HR125082 [2,0,0,0,0,0|1,1,0]=4 296 B6R0.3 NC(CS)C(=O)O HR125295 [2,0,0,0,0,0|1,1,0]=4 297 B6R0.3 NC(CS)C(=O)O HR125344 [2,0,0,0,0,0|1,1,0]=4 298 B6R0.3 NC(CS)C(=O)O HR129167 [2,0,0,0,0,0|1,1,0]=4 299 B6R0.3 NC(CS)C(=O)O HR129315 [2,0,0,0,0,0|1,1,0]=4 300 B6R0.3 NC(CS)C(=O)O HR129684 [2,0,0,0,0,0|1,1,0]=4 301 B6R0.3 NC(CS)C(=O)O HR135781 [2,0,0,0,0,0|1,1,0]=4 302 B6R0.3 NC(CS)C(=O)O HR136316 [2,0,0,0,0,0|1,1,0]=4 303 B6R0.3 NC(C[SeH])C(=O)O HR101211 [2,0,0,0,0,0|1,1,0]=4 304 B6R0.3 NCC(N)C(=O)O HR101827 [2,0,0,0,0,0|2,0,0]=4 305 B6R0.3 NCC(N)C(=O)O HR120379 [2,0,0,0,0,0|2,0,0]=4 306 B6R0.3 NCC(N)C(=O)O HR130162 [2,0,0,0,0,0|2,0,0]=4 307 B6R0.3 NCC(N)C(=O)O HR137268 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.3 NCC(O)C(=O)O HR126827 [2,0,0,0,0,0|1,0,0]=3 309 B6R0.3 NCC(O)C(=O)O HR145757 [2,0,0,0,0,0|1,0,0]=3 310 B6R0.3 NCC(O)C(=O)O HR145758 [2,0,0,0,0,0|1,0,0]=3 311 B6R0.3 O=C(O)C(Br)CBr HR128067 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.3 O=C(O)C(Br)CO HR121810 [2,0,0,0,0,0|1,0,0]=3 313 B6R0.3 O=C(O)C(Cl)CCl HR102337 [2,0,0,0,0,0|2,0,0]=4 314 B8R0.2 CC(O)C(O)C(O)C=O HR125158 [1,1,0,0,0,0|1,0,1]=4 315 B8R0.2 O=C(O)C(O)C(O)CO HR18483 [1,1,0,0,0,0|0,0,1]=3 316 B8R0.2 O=C([O-])C(O)C(O)CO HR106059 [1,1,0,0,0,0|0,0,2]=4 317 B8R0.2 O=C([O-])C(O)C(O)CO HR124090 [1,1,0,0,0,0|0,0,2]=4 318 B8R0.19 CCC(O)CC(=O)OC HR111480 [1,1,0,0,0,0|1,0,1]=4 319 B8R0.19 COC(=O)CC(O)CCl HR103451 [1,1,0,0,0,0|1,0,1]=4 320 B8R0.19 COC(=O)CC(O)CCl HR106667 [1,1,0,0,0,0|1,0,1]=4 321 B8R0.19 COC(=O)CC(O)CCl HR123616 [1,1,0,0,0,0|1,0,1]=4 322 B8R0.34 O=C(O)CP(=O)(O)OO HR135888 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.3 O=CCC(O)C(O)CO HR131624 [1,1,0,0,0,0|0,0,2]=4 324 B8R0.3 O=CCC(O)C(O)CO HR134366 [1,1,0,0,0,0|0,0,2]=4 325 B8R0.8 CSCCC(O)C(=O)O HR136742 [1,1,0,0,0,0|0,1,1]=4 326 B8R0.8 NC(CCCO)C(=O)O HR114281 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.12 C=CCC(C)(C)C(=O)O HR12797 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.12 C=CCC(C)(N)C(=O)O HR119366 [1,1,0,0,0,0|2,0,0]=4 329 B8R0.12 C=CCC(C)(N)C(=O)O HR139311 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.12 C=CCC(F)(F)C(=O)O HR118411 [1,1,0,0,0,0|2,0,0]=4 331 B8R0.9 CCC(=O)CCC(C)=O HR121178 [1,1,0,0,0,0|2,0,0]=4 332 B8R0.9 COC(=O)CCC(=O)Cl HR123462 [1,1,0,0,0,0|1,0,0]=3 333 B8R0.9 COC(=O)CCC(=O)[O-] HR138200 [1,1,0,0,0,0|0,0,1]=3 334 B8R0.9 COC(=O)CCC(C)O HR125584 [1,1,0,0,0,0|1,0,1]=4 335 B8R0.9 COC(=O)CCS(=O)[O-] HR113144 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.9 COC(=O)\C=C\C(=O)O MOJB01402 [1,1,0,0,0,0|0,0,2]=4 337 B8R0.9 NCC(=O)CCC(=O)O HR115792 [1,1,0,0,0,0|1,0,0]=3 338 B8R0.9 NCC(=O)CCC(=O)O HR124289 [1,1,0,0,0,0|1,0,0]=3 339 B8R0.9 NCC(=O)NCC(=O)O HR100015 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.29 CS(=O)(=O)CCC(=O)O HR112123 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.29 NS(=O)(=O)CCC(=O)O HR113934 [1,1,0,0,0,0|1,0,1]=4 342 B8R0.29 O=C(O)CCP(=O)(O)O HR121966 [1,1,0,0,0,0|1,0,0]=3 343 B8R0.18 CCC(C(=O)O)C(=O)O HR127056 [0,1,0,0,1,0|1,0,0]=3 344 B8R0.18 CCC(C(=O)O)C(=O)O HR137115 [0,1,0,0,1,0|1,0,0]=3 345 B8R0.37 CC(C)(C(=O)O)C(=O)O HR123839 [0,1,0,0,1,0|1,0,0]=3 346 B10R0.43 CC(C)(CCC(=O)O)C(=O)O HR127765 [0,1,0,0,0,1|1,0,0]=3 347 B10R0.43 O=C(O)CCC(F)(F)C(=O)O HR151172 [0,1,0,0,0,1|1,0,0]=3 348 B10R0.57 COC(=O)C(N)CCC(=O)O HR115400 [0,1,0,0,0,1|1,0,0]=3 349 B10R0.82 COC(=O)CCC(N)C(=O)O HR128286 [0,1,0,0,0,1|1,0,0]=3 350 B10R0.84 CNC(CCC(=O)O)C(=O)O HR150814 [0,1,0,0,0,1|1,0,0]=3 351 B10R0.84 CNC(CCC(=O)O)C(=O)O HR150816 [0,1,0,0,0,1|1,0,0]=3 352 B10R0.84 CNC(CCC(=O)O)C(=O)O HR150817 [0,1,0,0,0,1|1,0,0]=3 353 B10R0.92 CP(=O)(O)CCC(N)C(=O)O HR137044 [0,1,0,0,0,1|2,0,0]=4 354 B10R0.92 CP(=O)(O)CCC(N)C(=O)O HR143740 [0,1,0,0,0,1|2,0,0]=4 355 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O HR125943 [0,1,0,0,0,1|2,0,0]=4 356 B10R0.92 NC(COP(=O)(O)O)C(=O)O HR104499 [0,1,0,0,0,1|2,0,0]=4 357 B10R0.92 NC(COP(=O)(O)O)C(=O)O HR136318 [0,1,0,0,0,1|2,0,0]=4 358 B10R0.93 CC(CC(N)C(=O)O)C(=O)O HR141635 [0,1,0,0,0,1|1,0,0]=3 359 B10R0.44 COC(=O)CC(C)CC(=O)O HR135597 [0,1,0,0,0,1|1,0,0]=3 360 B10R0.70 CCN(CC(=O)O)CC(=O)O HR103383 [0,1,0,0,0,1|2,0,0]=4 361 B10R0.165 CC(C)(CC(=O)O)CC(=O)O HR127193 [0,1,0,0,0,1|1,0,0]=3 362 B10R0.165 O=C(O)O[Zr](O)(O)OC(=O)O HR145681 [0,1,0,0,0,1|2,0,0]=4 363 B10R0.47 COC(=O)CC(C)(C)C(=O)O HR33013 [0,2,0,0,0,0|1,0,0]=3 364 B10R0.141 COC(=O)C(C)(C)CC(=O)O HR30271 [0,2,0,0,0,0|1,0,0]=3 365 B10R0.46 C=C(CC(=O)OC)C(=O)OC HR126260 [0,2,0,0,0,0|1,0,1]=4 366 B10R0.46 COC(=O)CC(C)C(=O)OC HR136328 [0,2,0,0,0,0|1,0,0]=3 367 B10R0.46 COC(=O)CC(N)C(=O)OC HR126666 [0,2,0,0,0,0|1,0,0]=3 368 B10R0.46 COC(=O)CC(N)C(=O)OC HR144260 [0,2,0,0,0,0|1,0,0]=3 369 B10R0.46 COC(=O)CC(O)C(=O)OC HR118203 [0,2,0,0,0,0|0,0,0]=2 370 B10R0.46 COC(=O)CC(O)C(=O)OC HR137997 [0,2,0,0,0,0|0,0,0]=2 371 B10R0.46 COC(=O)CC(O)C(=O)OC HR138522 [0,2,0,0,0,0|0,0,0]=2 372 B10R0.23 COCC(NC(C)=O)C(=O)O HR115174 [0,2,0,0,0,0|2,0,0]=4 373 B10R0.162 CC(=O)NC(C(=O)O)C(C)O HR145129 [0,2,0,0,0,0|2,0,0]=4 374 B8R1.18 C=C1CC(=O)OC1=O HR123885 [1,0,0,1,0,0|1,0,1]=4 375 B8R1.18 CC1NC(=O)OC1=O HR100336 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.18 NC1CC(=O)OC1=O HR110338 [1,0,0,1,0,0|1,0,0]=3 377 B8R1.34 O=C(O)CC1COC1 HR145748 [1,0,0,1,0,0|1,0,1]=4 378 B8R1.7 O=C(O)C1CC=CC1 HR137833 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.7 O=C(O)C1CCCO1 HR129714 [1,0,0,1,0,0|1,0,1]=4 380 B8R1.7 O=C(O)C1CCCO1 HR135878 [1,0,0,1,0,0|1,0,1]=4 381 B8R1.7 O=C(O)C1CCCO1 HR136153 [1,0,0,1,0,0|1,0,1]=4 382 B8R1.7 O=C(O)C1CCOC1 HR109306 [1,0,0,1,0,0|1,0,1]=4 383 B8R1.7 O=C(O)C1CCOC1 HR110235 [1,0,0,1,0,0|1,0,1]=4 384 B8R1.7 O=C(O)C1CCOC1 HR111915 [1,0,0,1,0,0|1,0,1]=4 385 B8R1.23 C=C1CC(C(=O)O)C1 HR113918 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.23 O=C(O)C1CC(O)C1 HR139037 [1,0,0,1,0,0|1,0,1]=4 387 B8R1.23 O=C(O)C1CC(O)C1 HR148529 [1,0,0,1,0,0|1,0,1]=4 388 B8R1.23 O=C1CC(C(=O)O)C1 HR14220 [1,0,0,1,0,0|1,0,0]=3 389 B8R1.3 O=C1CCC(=O)CC1 HR123033 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.3 O=C1CCC(=O)NC1 HR110594 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.50 O=C1OCC(O)C1O HR120212 [0,0,0,1,1,0|1,0,1]=4 392 B10R1.13 O=C1CCC(C(=O)O)CC1 HR109507 [0,0,0,1,0,1|2,0,0]=4 393 B10R1.13 O=C1CCC(C(=O)O)CN1 HR121983 [0,0,0,1,0,1|2,0,0]=4 394 B10R1.13 O=C1CCC(C(=O)O)NC1 HR150904 [0,0,0,1,0,1|2,0,0]=4 395 B10R1.349 O=C(O)C1CC(C(=O)O)C1 HR145777 [0,0,0,1,0,1|1,0,0]=3 396 B10R1.349 O=C(O)C1CC(C(=O)O)C1 HR145778 [0,0,0,1,0,1|1,0,0]=3 397 B10R1.349 O=C(O)C1CC(C(=O)O)C1 HR145779 [0,0,0,1,0,1|1,0,0]=3 398 B10R1.54 O=C(O)CC1CCC(=O)C1 HR145769 [0,0,0,1,0,1|2,0,0]=4 399 B10R1.54 O=C(O)CC1CCC(=O)N1 HR145770 [0,0,0,1,0,1|2,0,0]=4 400 B10R1.54 O=C(O)CC1CCC(=O)N1 HR145771 [0,0,0,1,0,1|2,0,0]=4 401 B10R1.54 O=C(O)CC1CCC(=O)O1 HR145772 [0,0,0,1,0,1|2,0,0]=4 402 B10R1.54 O=C(O)CC1CCC(=O)O1 HR145773 [0,0,0,1,0,1|2,0,0]=4 403 B10R1.54 O=C(O)CC1CCC(=O)O1 HR145774 [0,0,0,1,0,1|2,0,0]=4 404 B10R1.14 COC(=O)C1CCC(=O)C1 HR111383 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.14 COC(=O)C1CNC(=O)C1 HR110388 [0,1,0,1,0,0|2,0,0]=4 406 B10R1.277 NC1CC(=O)O[Mg]OC1=O HR133897 [0,1,0,1,0,0|1,0,0]=3 407 B10R1.113 O=C1CC(C(=O)O)CCN1 HR148708 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.113 O=C1CCCC(C(=O)O)C1 HR112017 [0,1,0,1,0,0|2,0,0]=4 409 B10R1.113 O=C1CCNC(C(=O)O)C1 HR114863 [0,1,0,1,0,0|2,0,0]=4 410 B10R1.113 O=C1CCNC(C(=O)O)C1 HR150929 [0,1,0,1,0,0|2,0,0]=4 411 B8R0.28 CC(=O)C\C=C\C(=O)O HR110909 [1,0,0,0,0,1|1,0,1]=4 412 B8R0.28 N=C(N)NCCC(=O)O HR123675 [1,0,0,0,0,1|2,0,0]=4 413 B8R0.28 N=C(S)NCCC(=O)O HR129341 [1,0,0,0,0,1|1,1,0]=4 414 B8R0.28 O=C(Cl)CCCC(=O)Cl HR142561 [1,0,0,0,0,1|2,0,0]=4 415 B8R0.28 O=C(O)CCCC(=O)O HR132258 [1,0,0,0,0,1|0,0,0]=2 416 B8R0.28 O=C(O)CNCC(=O)O HR138649 [1,0,0,0,0,1|0,0,0]=2 417 B8R0.28 O=C(O)COCC(=O)O HR121403 [1,0,0,0,0,1|0,0,0]=2 418 B8R0.28 O=C(O)CSCC(=O)O HR124866 [1,0,0,0,0,1|0,0,0]=2 419 B8R0.28 O=C([O-])CCCC(=O)[O-] HR145446 [1,0,0,0,0,1|0,0,2]=4 420 B8R0.28 O=C([O-])CNCC(=O)[O-] HR127835 [1,0,0,0,0,1|0,0,2]=4 421 B10R0.96 NC(CCC(=O)O)CC(=O)O HR101130 [0,0,0,0,0,2|1,0,0]=3 422 B10R0.98 NC(CCCC(=O)O)C(=O)O HR130324 [0,0,0,0,0,2|1,0,0]=3 423 B10R0.98 NC(CCCC(=O)O)C(=O)O HR135400 [0,0,0,0,0,2|1,0,0]=3 424 B10R0.98 NC(CCCC(=O)O)C(=O)O HR139085 [0,0,0,0,0,2|1,0,0]=3 425 B10R0.98 NC(CSCC(=O)O)C(=O)O HR130828 [0,0,0,0,0,2|1,0,0]=3 426 B10R0.98 NC(CSCC(=O)O)C(=O)O HR133861 [0,0,0,0,0,2|1,0,0]=3 427 B10R0.98 NC(CSCC(=O)O)C(=O)O HR134716 [0,0,0,0,0,2|1,0,0]=3