0 B10R0.165 C=C(C)CC(C)(C)CC(C)=O Amb27271689 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.165 C=C(C)CC(C)(O)CC(=C)C Amb4005862 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.165 C=C(C)CC(C)(O)CC(C)=O Amb27672678 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.165 CC(=O)CC(C)(C)CC(=O)O Amb9782556 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.165 CC(=O)CC(C)(C)CC(C)=O Amb27672532 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.165 CC(=O)CC(C)(C)C[N+](=O)[O-] Amb4005041 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.165 CC(=O)CC(C)(C)NC(C)=O Amb9781755 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.165 CC(=O)CC(C)(C)SC(C)=O Amb27672415 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.165 CC(=O)CC(C)(O)CC(C)C Amb28080313 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.165 CC(=O)CP(C)(=O)CC(C)=O Amb27672592 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.165 CC(=O)NC(C)(C)CC(=O)O Amb22360340 [0,0,0,0,0,0|3,0,0]=3 11 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Amb6608976 [0,0,0,0,0,0|1,0,0]=1 12 B10R0.165 CC(C)(CC(=O)O)CC(F)F Amb32676809 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.165 CC(C)(CC(=O)O)C[N+](=O)[O-] Amb24766161 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.165 CC(C)(CC(=O)O)NC(N)=O Amb27260802 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.165 CC(C)(CC(N)=O)CC(N)=O Amb27266829 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.165 CC(C)(CC(N)=O)NC(N)=O Amb27457834 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.165 CC(C)CC(C)(C)CC(=O)O Amb26998836 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.165 CC(C)CC(C)(N)CC(=O)O Amb28387361 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.165 CC(C)CC(C)(N)CC(=O)O Amb32680407 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.165 CC(C)CC(C)(O)CC(=O)O Amb18310712 [0,0,0,0,0,0|2,0,1]=3 21 B10R0.165 CC(O)(CC(=O)O)CC(=O)O Amb5719671 [0,0,0,0,0,0|0,0,0]=0 22 B10R0.165 CC(O)(C[N+](=O)[O-])C[N+](=O)[O-] Amb28387890 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.165 CN(C)CC(C)(C)CC(=O)O Amb24116873 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.165 CS(=O)NC(C)(C)CC(=O)O Amb27272520 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.165 C[C@H](O)CC(C)(O)C[C@H](C)O Amb28080056 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.165 C[N+](C)(CC(=O)[O-])CC(=O)O Amb27001065 [0,0,0,0,0,0|2,0,1]=3 27 B10R0.165 NC(=O)CS(=O)(=O)CC(=O)O Amb6257847 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.165 O=C(O)CC(Cl)(Cl)CC(=O)O Amb4014518 [0,0,0,0,0,0|2,0,0]=2 29 B10R0.165 O=C(O)CC(F)(F)CC(=O)O Amb1149070 [0,0,0,0,0,0|2,0,0]=2 30 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O Amb6364794 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.53 C=C(C)CC(C)CC(C)=O Amb28206391 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [1,0,0,0,0,0|3,0,0]=4 33 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.53 CC(=O)CC(O)CC(C)O Amb28202187 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [1,0,0,0,0,0|1,0,0]=2 36 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.53 CC(=O)C[C@H](O)C[C@@H](C)O Amb27973069 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [1,0,0,0,0,0|2,0,0]=3 39 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [1,0,0,0,0,0|2,0,0]=3 42 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [1,0,0,0,0,0|2,0,0]=3 43 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [1,0,0,0,0,0|2,0,0]=3 44 B9R0.53 CC(C)CC(C)CC(=O)O Amb6749218 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.53 CC(C)CC(O)CC(=O)O Amb17232005 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.53 CC(C)C[C@@H](O)CC(=O)O Amb28050162 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.53 CC(C)C[C@H](O)CC(=O)O Amb24505145 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [1,0,0,0,0,0|2,0,0]=3 49 B9R0.53 CC(CC(=O)Cl)CN(=O)=O Amb8391864 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [1,0,0,0,0,0|0,0,0]=1 51 B9R0.53 CC(CC(=O)O)CN(C)C Amb27948144 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.53 CC(CC(=O)O)CN(C)C Amb32680754 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.53 CC(CC(=O)O)NC(=N)N Amb25696242 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [1,0,0,0,0,0|2,0,0]=3 55 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [1,0,0,0,0,0|2,0,0]=3 56 B9R0.53 CN(C)CC(O)CC(=O)O Amb4477325 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.53 CN(C)C[C@H](O)CC(=O)O Amb10069803 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,0,0,0,0,0|1,0,0]=2 59 B9R0.53 CN(CC(N)=O)CC(N)=O Amb27395331 [1,0,0,0,0,0|3,0,0]=4 60 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [1,0,0,0,0,0|1,0,0]=2 62 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [1,0,0,0,0,0|0,0,2]=3 63 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [1,0,0,0,0,0|0,0,2]=3 64 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [1,0,0,0,0,0|2,0,0]=3 65 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [1,0,0,0,0,0|2,0,0]=3 66 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [1,0,0,0,0,0|2,0,0]=3 67 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,0,0,0,0,0|1,0,0]=2 68 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [1,0,0,0,0,0|1,0,0]=2 69 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [1,0,0,0,0,0|2,0,0]=3 70 B9R0.53 O=C(Cl)CC(Cl)CC(=O)Cl Amb27390104 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [1,0,0,0,0,0|0,0,2]=3 72 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [1,0,0,0,0,0|1,0,0]=2 73 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [1,0,0,0,0,0|0,0,0]=1 74 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [1,0,0,0,0,0|1,0,1]=3 75 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [1,0,0,0,0,0|1,0,2]=4 76 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.58 C=C(C)C[C@@](C)(O)CCO Amb27839202 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.58 C=CCC(C)(C)CC(=O)O Amb18643902 [1,0,0,0,0,0|2,0,0]=3 79 B9R0.58 C=CC[C@@](C)(O)CC(C)=O Amb28399049 [1,0,0,0,0,0|2,0,0]=3 80 B9R0.58 CC(=O)CC(C)(C)NC=O Amb25756849 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.58 CC(C)(CC(=O)O)N=C=O Amb25840671 [1,0,0,0,0,0|2,0,1]=4 82 B9R0.58 CC(C)(CC(=O)O)NC=O Amb26392221 [1,0,0,0,0,0|2,0,0]=3 83 B9R0.58 CC(C)(CC=O)CC(=O)O Amb18644096 [1,0,0,0,0,0|1,0,0]=2 84 B9R0.58 CC(C)(CCCl)CC(=O)O Amb18646188 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.58 CC(C)(CCF)CC(=O)O Amb33196450 [1,0,0,0,0,0|2,0,1]=4 86 B9R0.58 CC(C)CC(C)(O)CC=O Amb28250743 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.58 CC(O)(CCCl)CC(=O)O Amb28134781 [1,0,0,0,0,0|1,0,1]=3 88 B9R0.58 CC(O)(CCS)CC(=O)O Amb27232619 [1,0,0,0,0,0|0,1,1]=3 89 B9R0.58 CC(O)CC(C)(C)CC=O Amb27967926 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.58 CCCC(C)(C)CC(=O)O Amb22229019 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.58 CCCC(C)(N)CC(=O)O Amb27489892 [1,0,0,0,0,0|2,0,1]=4 92 B9R0.58 CCCC(C)(O)CC(=O)O Amb18310709 [1,0,0,0,0,0|1,0,1]=3 93 B9R0.58 CNCC(C)(C)CC(=O)O Amb24116872 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.58 COCC(C)(C)CC(=O)O Amb33551195 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.58 COCC(C)(N)CC(=O)O Amb27158999 [1,0,0,0,0,0|3,0,0]=4 96 B9R0.58 COCC(C)(N)CC(=O)O Amb33620555 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.58 COCC(C)(O)CC(=O)O Amb18312293 [1,0,0,0,0,0|2,0,0]=3 98 B9R0.58 CSCC(C)(C)CC(=O)O Amb33272052 [1,0,0,0,0,0|3,0,0]=4 99 B9R0.58 CSCC(C)(N)CC(=O)O Amb33254915 [1,0,0,0,0,0|3,0,0]=4 100 B9R0.58 CSCC(C)(O)CC(=O)O Amb33036115 [1,0,0,0,0,0|2,0,0]=3 101 B9R0.58 C[C@](O)(CC=O)CC(=O)O Amb27425000 [1,0,0,0,0,0|0,0,0]=1 102 B9R0.58 C\C=C\C(C)(N)CC(=O)O Amb33036295 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.58 C\C=C\C(C)(O)CC(=O)O Amb33036111 [1,0,0,0,0,0|1,0,1]=3 104 B11R0.208 CC(C)(CC(=O)O)CS(C)(=O)=O Amb32675316 [0,1,0,0,0,0|2,0,1]=4 105 B11R0.210 CC(=O)NC(C)(CN)CC(=O)O Amb33255160 [0,1,0,0,0,0|3,0,0]=4 106 B11R0.210 CC(C)CC(O)(CN)CC(=O)O Amb33346946 [0,1,0,0,0,0|2,0,1]=4 107 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O Amb445619 [0,1,0,0,0,0|1,0,0]=2 108 B11R0.210 CCC(C)(CC(=O)O)NC(C)=O Amb33255323 [0,1,0,0,0,0|3,0,0]=4 109 B11R0.255 C=CC(=O)NC(C)(C)CC(=O)O Amb10068283 [0,1,0,0,0,0|3,0,0]=4 110 B11R0.255 CNC(=O)NC(C)(C)CC(=O)O Amb27171789 [0,1,0,0,0,0|3,0,0]=4 111 B11R0.255 COC(=O)CC(C)(C)CC(=O)O Amb18647813 [0,1,0,0,0,0|1,0,0]=2 112 B11R0.255 COC(=O)CC(C)(C)CC(C)=O Amb18198272 [0,1,0,0,0,0|2,0,0]=3 113 B11R0.255 COC(=O)CS(=O)(=O)CC(=O)O Amb9482256 [0,1,0,0,0,0|2,0,1]=4 114 B11R0.335 CC(C(=O)O)S(=O)(=O)CC(=O)O Amb17501652 [0,1,0,0,0,0|2,0,1]=4 115 B11R0.335 CN(C(N)=O)C(C)(C)CC(=O)O Amb18197602 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.489 CC(=O)C1OC(=O)CC1(C)C Amb27828856 [0,0,0,1,0,0|2,0,0]=3 117 B11R1.489 CC1(C)CC(=O)CC1C(=O)O Amb27408973 [0,0,0,1,0,0|2,0,0]=3 118 B11R1.489 CC1(C)CC(=O)NC1C(=O)O Amb18126047 [0,0,0,1,0,0|2,0,0]=3 119 B11R1.489 CC1(C)CC(=O)N[C@@H]1C(=O)O Amb24551055 [0,0,0,1,0,0|2,0,0]=3 120 B11R1.489 CC1(C)CC(=O)OC1C(=O)Cl Amb27617287 [0,0,0,1,0,0|2,0,0]=3 121 B11R1.489 CC1(C)CC(O)CC1C(=O)O Amb27233377 [0,0,0,1,0,0|2,0,1]=4 122 B11R1.489 CC1(C)NC(=O)CC1C(=O)O Amb33743833 [0,0,0,1,0,0|3,0,0]=4 123 B11R1.489 CC1(C)OC(=O)CC1C(=O)O Amb533948 [0,0,0,1,0,0|3,0,0]=4 124 B11R1.489 CC1(C)SC(=O)N[C@@H]1C(=O)O Amb27231722 [0,0,0,1,0,0|3,0,0]=4 125 B11R1.649 CC1(C)CC(=O)CCC(=O)C1 Amb28253627 [0,0,0,1,0,0|3,0,0]=4 126 B11R1.732 C=C(C)C1C(C(=O)O)C1(C)C Amb33199506 [0,0,0,1,0,0|3,0,0]=4 127 B11R1.732 C=C(C)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb33226188 [0,0,0,1,0,0|3,0,0]=4 128 B11R1.732 CC(=O)C1C(C(=O)Cl)C1(C)C Amb25798467 [0,0,0,1,0,0|3,0,0]=4 129 B11R1.732 CC(=O)C1C(C(=O)O)C1(C)C Amb27232878 [0,0,0,1,0,0|2,0,0]=3 130 B11R1.732 CC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb27229293 [0,0,0,1,0,0|2,0,0]=3 131 B11R1.732 CC(=O)[C@H]1[C@H](C(=O)O)C1(C)C Amb27776755 [0,0,0,1,0,0|2,0,0]=3 132 B11R1.732 CC1(C)C(C(=O)O)C1C(=O)O Amb25102507 [0,0,0,1,0,0|1,0,0]=2 133 B11R1.732 CC1(C)C(C(=O)O)C1C(O)O Amb28142249 [0,0,0,1,0,0|1,0,2]=4 134 B11R1.732 CC1(C)C(C(N)=O)C1C(=O)O Amb24048905 [0,0,0,1,0,0|2,0,0]=3 135 B11R1.732 CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)O Amb27251977 [0,0,0,1,0,0|1,0,0]=2 136 B11R1.732 CC1(C)[C@@H](C(=O)O)[C@H]1C(N)=O Amb27764479 [0,0,0,1,0,0|2,0,0]=3 137 B11R1.732 CC1(C)[C@H](C(=O)O)[C@H]1C(=O)O Amb27467656 [0,0,0,1,0,0|1,0,0]=2 138 B11R1.732 O=C(O)C1C(C(=O)O)C1(Cl)Cl Amb1350468 [0,0,0,1,0,0|2,0,0]=3 139 B11R1.732 O=C(O)C1C(C(=O)O)C1(F)F Amb27793088 [0,0,0,1,0,0|2,0,0]=3 140 B11R1.933 CC(=O)NC1(CC(=O)O)CC1 Amb25201513 [0,0,0,1,0,0|3,0,0]=4 141 B11R1.933 CS(=O)CC1(CC(=O)O)CC1 Amb27986450 [0,0,0,1,0,0|3,0,0]=4 142 B11R1.933 NC(=O)NC1(CC(=O)O)CC1 Amb27475056 [0,0,0,1,0,0|3,0,0]=4 143 B11R1.933 O=C(O)CC1(CC(=O)O)CC1 Amb26990513 [0,0,0,1,0,0|1,0,0]=2 144 B11R1.1039 CC1CC(N)(CC(=O)O)CO1 Amb33254626 [0,0,0,1,0,0|2,0,1]=4 145 B11R1.1039 CC1CC(O)(CC(=O)O)CO1 Amb29850212 [0,0,0,1,0,0|1,0,1]=3 146 B11R1.1039 CC1CC(O)(CC(=O)O)CS1 Amb26889282 [0,0,0,1,0,0|1,1,1]=4 147 B11R1.1039 CC1CCC(O)(CC(=O)O)C1 Amb32680030 [0,0,0,1,0,0|2,0,1]=4 148 B11R1.1039 CN1CCC(O)(CC(=O)O)C1 Amb18288107 [0,0,0,1,0,0|3,0,0]=4 149 B11R1.1039 NC1(CC(=O)O)CNC(=O)C1 Amb27634133 [0,0,0,1,0,0|2,0,0]=3 150 B11R1.1039 O=C(O)CC1(O)C=CC(=O)O1 Amb28118906 [0,0,0,1,0,0|2,0,1]=4 151 B11R1.1039 O=C(O)CC1(O)CCC(=O)O1 Amb27823336 [0,0,0,1,0,0|2,0,0]=3 152 B11R1.1413 NC1(CC(=O)O)CS(=O)(=O)C1 Amb27813577 [0,0,0,1,0,0|2,0,1]=4 153 B11R1.1413 NC1(CC(=O)O)CS(=O)(=O)C1 Amb33484327 [0,0,0,1,0,0|2,0,1]=4 154 B11R1.1413 O=C(O)CC1(O)CS(=O)(=O)C1 Amb33036122 [0,0,0,1,0,0|1,0,1]=3 155 B9R0.11 C=C(Br)CC(C)(C)C(=O)O Amb25887722 [0,0,0,0,1,0|3,0,0]=4 156 B9R0.11 C=C(C)C(C)(C)CC(=O)O Amb25703730 [0,0,0,0,1,0|3,0,0]=4 157 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb22641962 [0,0,0,0,1,0|3,0,0]=4 158 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb31307620 [0,0,0,0,1,0|3,0,0]=4 159 B9R0.11 C=C(C)CC(C)(C)C(=O)O Amb27619182 [0,0,0,0,1,0|3,0,0]=4 160 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,0,0,0,1,0|3,0,0]=4 161 B9R0.11 C=C(C)CC(C)(O)C(=O)O Amb24763776 [0,0,0,0,1,0|2,0,0]=3 162 B9R0.11 C=C(C)CC(C)(O)C(C)=O Amb27800763 [0,0,0,0,1,0|3,0,0]=4 163 B9R0.11 C=C(C)C[C@](C)(O)C(=O)O Amb27618953 [0,0,0,0,1,0|2,0,0]=3 164 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,0,0,0,1,0|3,0,0]=4 165 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [0,0,0,0,1,0|2,0,0]=3 166 B9R0.11 CC(=O)C(C)(C)CC(N)=O Amb26055921 [0,0,0,0,1,0|3,0,0]=4 167 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,0,0,0,1,0|2,0,0]=3 168 B9R0.11 CC(=O)CC(C)(C)C(=O)S Amb28201149 [0,0,0,0,1,0|2,1,0]=4 169 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,0,0,0,1,0|1,1,0]=3 170 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,0,0,0,1,0|1,0,0]=2 171 B9R0.11 CC(=O)NC(C)(C)C(=O)O Amb13952726 [0,0,0,0,1,0|3,0,0]=4 172 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,0,0,0,1,0|3,0,0]=4 173 B9R0.11 CC(=O)OC(C)(C)C(=O)O Amb18644243 [0,0,0,0,1,0|3,0,0]=4 174 B9R0.11 CC(=O)SC(C)(C)C(=O)O Amb17607677 [0,0,0,0,1,0|3,0,0]=4 175 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [0,0,0,0,1,0|2,0,0]=3 176 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,0,0,0,1,0|1,0,0]=2 177 B9R0.11 CC(C)(CC(=O)O)C(N)=S Amb17466449 [0,0,0,0,1,0|2,1,0]=4 178 B9R0.11 CC(C)(CC(N)=S)C(=O)O Amb27614963 [0,0,0,0,1,0|2,1,0]=4 179 B9R0.11 CC(C)(NC(N)=O)C(=O)O Amb9825347 [0,0,0,0,1,0|3,0,0]=4 180 B9R0.11 CC(C)C(C)(O)CC(=O)O Amb18991699 [0,0,0,0,1,0|2,0,1]=4 181 B9R0.11 CC(C)CC(C)(O)C(=O)O Amb18523766 [0,0,0,0,1,0|2,0,1]=4 182 B9R0.11 CC(C)[C@](C)(O)CC(=O)O Amb27810826 [0,0,0,0,1,0|2,0,1]=4 183 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,0,0,0,1,0|1,0,0]=2 184 B9R0.11 CC(Cl)(CS(=O)O)C(=O)O Amb27781534 [0,0,0,0,1,0|2,0,0]=3 185 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,0,0,0,1,0|1,0,0]=2 186 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,0,0,0,1,0|2,0,0]=3 187 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,0,0,0,1,0|2,0,0]=3 188 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,0,0,0,1,0|0,0,0]=1 189 B9R0.11 CC(O)(CC(F)F)C(=O)O Amb27254585 [0,0,0,0,1,0|2,0,1]=4 190 B9R0.11 CC(O)CC(C)(N)C(=O)O Amb28289237 [0,0,0,0,1,0|2,0,1]=4 191 B9R0.11 CN(O)C(C)(C)CC(=O)O Amb30025601 [0,0,0,0,1,0|3,0,0]=4 192 B9R0.11 CN(O)CC(C)(O)C(=O)O Amb28349124 [0,0,0,0,1,0|2,0,0]=3 193 B9R0.11 CS(=O)C(C)(C)CC(=O)O Amb28128345 [0,0,0,0,1,0|3,0,0]=4 194 B9R0.11 CS(=O)CC(C)(C)C(=O)O Amb28049647 [0,0,0,0,1,0|3,0,0]=4 195 B9R0.11 CS(=O)CC(C)(O)C(=O)O Amb27984742 [0,0,0,0,1,0|2,0,0]=3 196 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,0,0,0,1,0|2,0,0]=3 197 B9R0.11 C[C@@](O)(CC(F)F)C(=O)O Amb27165726 [0,0,0,0,1,0|2,0,1]=4 198 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,0,0,0,1,0|1,0,0]=2 199 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,0,0,0,1,0|2,0,0]=3 200 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,0,0,0,1,0|0,0,0]=1 201 B9R0.11 C[C@](O)(CC(F)F)C(=O)O Amb27657615 [0,0,0,0,1,0|2,0,1]=4 202 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,0,0,0,1,0|2,0,0]=3 203 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,0,0,0,1,0|2,0,0]=3 204 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,0,0,0,1,0|2,0,0]=3 205 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,0,0,0,1,0|2,0,0]=3 206 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O Amb28653070 [0,0,0,0,0,1|2,0,0]=3 207 B11R0.232 O=C(O)CCS(=O)(=O)CC(=O)O Amb17501260 [0,0,0,0,0,1|2,0,1]=4 208 B8R0.5 C=C(Br)CC(C)CC=O Amb27476249 [2,0,0,0,0,0|2,0,0]=4 209 B8R0.5 C=C(Br)C[C@@H](C)CC=O Amb27270886 [2,0,0,0,0,0|2,0,0]=4 210 B8R0.5 C=CCC(C)CC(=O)O Amb18642628 [2,0,0,0,0,0|1,0,0]=3 211 B8R0.5 C=CCC(C)CC(C)=O Amb17593320 [2,0,0,0,0,0|2,0,0]=4 212 B8R0.5 C=CCC(N)CC(=O)O Amb22641964 [2,0,0,0,0,0|2,0,0]=4 213 B8R0.5 C=CCC(N)CC(=O)O Amb31307622 [2,0,0,0,0,0|2,0,0]=4 214 B8R0.5 C=CCC(O)CC(=O)O Amb18642785 [2,0,0,0,0,0|1,0,0]=3 215 B8R0.5 C=CCN(C)CC(=O)O Amb9301047 [2,0,0,0,0,0|2,0,0]=4 216 B8R0.5 C=CC[C@@H](C)CC(C)=O Amb27974516 [2,0,0,0,0,0|2,0,0]=4 217 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb22746166 [2,0,0,0,0,0|2,0,0]=4 218 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb2699117 [2,0,0,0,0,0|2,0,0]=4 219 B8R0.5 C=CC[C@@H](O)CC(=O)O Amb28073530 [2,0,0,0,0,0|1,0,0]=3 220 B8R0.5 C=CC[C@H](N)CC(=O)O Amb2699116 [2,0,0,0,0,0|2,0,0]=4 221 B8R0.5 C=CC[C@H](N)CC(=O)O Amb33726074 [2,0,0,0,0,0|2,0,0]=4 222 B8R0.5 C=CC[C@H](O)CC(=O)O Amb28345940 [2,0,0,0,0,0|1,0,0]=3 223 B8R0.5 CC(=O)CC(C)CC=O Amb28076874 [2,0,0,0,0,0|1,0,0]=3 224 B8R0.5 CC(=O)CC(C)NC=O Amb24477804 [2,0,0,0,0,0|2,0,0]=4 225 B8R0.5 CC(=O)C[C@H](C)CC=O Amb27265839 [2,0,0,0,0,0|1,0,0]=3 226 B8R0.5 CC(=O)OC(C)CC=O Amb18642743 [2,0,0,0,0,0|2,0,0]=4 227 B8R0.5 CC(=O)SC(C)CC=O Amb27797287 [2,0,0,0,0,0|2,0,0]=4 228 B8R0.5 CC(CC#N)CC(=O)O Amb18642506 [2,0,0,0,0,0|1,0,1]=4 229 B8R0.5 CC(CC(=O)O)N=C=O Amb33471303 [2,0,0,0,0,0|1,0,1]=4 230 B8R0.5 CC(CC(=O)O)NC=O Amb18967805 [2,0,0,0,0,0|1,0,0]=3 231 B8R0.5 CC(CC=O)CN(=O)=O Amb8391644 [2,0,0,0,0,0|1,0,1]=4 232 B8R0.5 CC(CC=O)NC(N)=O Amb27881145 [2,0,0,0,0,0|2,0,0]=4 233 B8R0.5 CC(CCF)CC(=O)O Amb24477914 [2,0,0,0,0,0|1,0,1]=4 234 B8R0.5 CC(CCN)CC(=O)O Amb20667689 [2,0,0,0,0,0|1,0,1]=4 235 B8R0.5 CC(CCN)CC(=O)O Amb24376646 [2,0,0,0,0,0|1,0,1]=4 236 B8R0.5 CC(CCO)CC(=O)O Amb18642882 [2,0,0,0,0,0|0,0,1]=3 237 B8R0.5 CCCC(C)CC(=O)O Amb6749227 [2,0,0,0,0,0|1,0,1]=4 238 B8R0.5 CCCC(O)CC(=O)O Amb2699832 [2,0,0,0,0,0|1,0,1]=4 239 B8R0.5 CCC[C@@H](O)CC(=O)O Amb25188904 [2,0,0,0,0,0|1,0,1]=4 240 B8R0.5 CCC[C@H](C)CC(=O)O Amb10844381 [2,0,0,0,0,0|1,0,1]=4 241 B8R0.5 CCC[C@H](O)CC(=O)O Amb25367955 [2,0,0,0,0,0|1,0,1]=4 242 B8R0.5 CN(CC=O)CC(N)=O Amb28041288 [2,0,0,0,0,0|2,0,0]=4 243 B8R0.5 CN(CCO)CC(=O)O Amb5767486 [2,0,0,0,0,0|1,0,1]=4 244 B8R0.5 CNCC(O)CC(=O)O Amb28423259 [2,0,0,0,0,0|2,0,0]=4 245 B8R0.5 CNCC(O)CC(=O)O Amb32661843 [2,0,0,0,0,0|2,0,0]=4 246 B8R0.5 COCC(C)CC(=O)O Amb19024342 [2,0,0,0,0,0|2,0,0]=4 247 B8R0.5 COCC(O)CC(=O)O Amb18832518 [2,0,0,0,0,0|2,0,0]=4 248 B8R0.5 COC[C@@H](O)CC(=O)O Amb33428853 [2,0,0,0,0,0|2,0,0]=4 249 B8R0.5 COC[C@H](O)CC(=O)O Amb33428852 [2,0,0,0,0,0|2,0,0]=4 250 B8R0.5 CSCC(C)CC(=O)O Amb33273729 [2,0,0,0,0,0|2,0,0]=4 251 B8R0.5 CSCC(O)CC(=O)O Amb24621046 [2,0,0,0,0,0|2,0,0]=4 252 B8R0.5 CSC[C@@H](O)CC(=O)O Amb33271747 [2,0,0,0,0,0|2,0,0]=4 253 B8R0.5 CSC[C@H](O)CC(=O)O Amb33271746 [2,0,0,0,0,0|2,0,0]=4 254 B8R0.5 C[C@H](CC(=O)O)N=C=O Amb33471360 [2,0,0,0,0,0|1,0,1]=4 255 B8R0.5 C[C@H](CCO)CC(=O)O Amb27461411 [2,0,0,0,0,0|0,0,1]=3 256 B8R0.5 C\C=C\C(O)CC(=O)O Amb8398291 [2,0,0,0,0,0|1,0,1]=4 257 B8R0.5 C\C=C\[C@H](C)CC(=O)O Amb28047718 [2,0,0,0,0,0|1,0,1]=4 258 B8R0.5 N#CCC(O)CC(=O)O Amb27249794 [2,0,0,0,0,0|1,0,1]=4 259 B8R0.5 NCCC(O)CC(=O)O Amb27882021 [2,0,0,0,0,0|1,0,1]=4 260 B8R0.5 NCCC(O)CC(=O)O Amb31031000 [2,0,0,0,0,0|1,0,1]=4 261 B8R0.5 N[C@H](CCO)CC(=O)O Amb27169169 [2,0,0,0,0,0|1,0,1]=4 262 B8R0.5 O=C(O)CC(O)CCF Amb33196428 [2,0,0,0,0,0|1,0,1]=4 263 B8R0.5 O=C(O)CC(O)CCO Amb31031042 [2,0,0,0,0,0|0,0,1]=3 264 B8R0.5 O=C(O)CC(O)CNO Amb28044304 [2,0,0,0,0,0|1,0,0]=3 265 B8R0.5 O=C(O)C[C@@H](O)CCF Amb33196426 [2,0,0,0,0,0|1,0,1]=4 266 B8R0.5 O=C(O)C[C@H](O)CCF Amb33196427 [2,0,0,0,0,0|1,0,1]=4 267 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [2,0,0,0,0,0|2,0,0]=4 268 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [2,0,0,0,0,0|2,0,0]=4 269 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [2,0,0,0,0,0|1,0,0]=3 270 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [2,0,0,0,0,0|2,0,0]=4 271 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [2,0,0,0,0,0|2,0,0]=4 272 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [2,0,0,0,0,0|2,0,0]=4 273 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [2,0,0,0,0,0|2,0,0]=4 274 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [2,0,0,0,0,0|2,0,0]=4 275 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [2,0,0,0,0,0|2,0,0]=4 276 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [2,0,0,0,0,0|1,0,1]=4 277 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [2,0,0,0,0,0|1,0,0]=3 278 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [2,0,0,0,0,0|2,0,0]=4 279 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [2,0,0,0,0,0|2,0,0]=4 280 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [2,0,0,0,0,0|2,0,0]=4 281 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [2,0,0,0,0,0|2,0,0]=4 282 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [2,0,0,0,0,0|1,1,0]=4 283 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [2,0,0,0,0,0|2,0,0]=4 284 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [2,0,0,0,0,0|0,0,0]=2 285 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [2,0,0,0,0,0|1,0,1]=4 286 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [2,0,0,0,0,0|1,0,0]=3 287 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [2,0,0,0,0,0|1,0,0]=3 288 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [2,0,0,0,0,0|1,0,0]=3 289 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [2,0,0,0,0,0|0,0,2]=4 290 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [2,0,0,0,0,0|0,0,2]=4 291 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [2,0,0,0,0,0|1,0,1]=4 292 B8R0.30 C=CCC(C)(C)CC=O Amb18642454 [2,0,0,0,0,0|2,0,0]=4 293 B8R0.30 C=CCC(C)(O)CC=C Amb4016462 [2,0,0,0,0,0|2,0,0]=4 294 B8R0.30 C=CCC(C)(O)CC=O Amb18642646 [2,0,0,0,0,0|1,0,0]=3 295 B8R0.30 C=CC[C@](C)(O)CCO Amb27880304 [2,0,0,0,0,0|1,0,1]=4 296 B8R0.30 CC(O)(CC=O)CCN Amb26326338 [2,0,0,0,0,0|1,0,1]=4 297 B8R0.30 CC(O)(CCO)CCO Amb22229375 [2,0,0,0,0,0|0,0,2]=4 298 B8R0.34 C=CC(C)(C)CC(=O)O Amb5718701 [2,0,0,0,0,0|1,0,1]=4 299 B8R0.34 C=CC(C)(N)CC(=O)O Amb22641965 [2,0,0,0,0,0|1,0,1]=4 300 B8R0.34 C=CC(C)(N)CC(=O)O Amb31307623 [2,0,0,0,0,0|1,0,1]=4 301 B8R0.34 C=CC(C)(O)CC(=O)O Amb18642755 [2,0,0,0,0,0|0,0,1]=3 302 B8R0.34 CC(=O)CC(C)(C)C=O Amb18642640 [2,0,0,0,0,0|2,0,0]=4 303 B8R0.34 CC(=O)CC(C)(C)CO Amb24689736 [2,0,0,0,0,0|2,0,0]=4 304 B8R0.34 CC(C)(C=O)CC(=O)O Amb28401504 [2,0,0,0,0,0|1,0,0]=3 305 B8R0.34 CC(C)(CBr)CC(=O)O Amb24480039 [2,0,0,0,0,0|2,0,0]=4 306 B8R0.34 CC(C)(CC(=O)O)NO Amb27859691 [2,0,0,0,0,0|2,0,0]=4 307 B8R0.34 CC(C)(CF)CC(=O)O Amb26575195 [2,0,0,0,0,0|2,0,0]=4 308 B8R0.34 CC(C)(CI)CC(=O)O Amb33295131 [2,0,0,0,0,0|2,0,0]=4 309 B8R0.34 CC(C)(CN)CC(=O)O Amb4245619 [2,0,0,0,0,0|2,0,0]=4 310 B8R0.34 CC(C)(CN)CC(=O)O Amb578353 [2,0,0,0,0,0|2,0,0]=4 311 B8R0.34 CC(C)(CO)CC(=O)O Amb24116870 [2,0,0,0,0,0|1,0,0]=3 312 B8R0.34 CC(C)(CO)CC(=O)[O-] Amb24178915 [2,0,0,0,0,0|1,0,1]=4 313 B8R0.34 CC(N)(CCl)CC(=O)O Amb22641961 [2,0,0,0,0,0|2,0,0]=4 314 B8R0.34 CC(N)(CN)CC(=O)O Amb32787831 [2,0,0,0,0,0|2,0,0]=4 315 B8R0.34 CC(N)(CO)CC(=O)O Amb27162086 [2,0,0,0,0,0|1,0,0]=3 316 B8R0.34 CC(O)(CCl)CC(=O)O Amb27409236 [2,0,0,0,0,0|1,0,0]=3 317 B8R0.34 CC(O)(CN)CC(=O)O Amb25188898 [2,0,0,0,0,0|1,0,0]=3 318 B8R0.34 CC(O)(CN)CC(=O)O Amb28935004 [2,0,0,0,0,0|1,0,0]=3 319 B8R0.34 CCC(C)(C)CC(=O)O Amb10573669 [2,0,0,0,0,0|1,0,1]=4 320 B8R0.34 CCC(C)(F)CC(=O)O Amb27645740 [2,0,0,0,0,0|1,0,1]=4 321 B8R0.34 CCC(C)(N)CC(=O)O Amb25853863 [2,0,0,0,0,0|1,0,1]=4 322 B8R0.34 CCC(C)(O)CC(=O)O Amb18298122 [2,0,0,0,0,0|0,0,1]=3 323 B8R0.34 CC[C@@](C)(N)CC(=O)O Amb25738026 [2,0,0,0,0,0|1,0,1]=4 324 B8R0.34 C[C@H](O)C[C@](C)(O)CO Amb27605361 [2,0,0,0,0,0|1,0,1]=4 325 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Amb18645031 [1,1,0,0,0,0|1,0,0]=3 326 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [1,1,0,0,0,0|1,0,0]=3 327 B10R0.13 CC(=O)CC(C)C(Cl)C(C)=O Amb27990141 [1,1,0,0,0,0|2,0,0]=4 328 B10R0.13 CC(=O)N(C)C(C)CC(=O)O Amb18224393 [1,1,0,0,0,0|2,0,0]=4 329 B10R0.13 CC(=O)NC(C)C(C)C(=O)O Amb28137397 [1,1,0,0,0,0|2,0,0]=4 330 B10R0.13 CC(=O)N[C@@H](C)[C@H](O)C(=O)O Amb27477763 [1,1,0,0,0,0|2,0,0]=4 331 B10R0.13 CC(=O)OC(C)C(N)C(=O)O Amb25385009 [1,1,0,0,0,0|2,0,0]=4 332 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(=O)O Amb22747815 [1,1,0,0,0,0|2,0,0]=4 333 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O Amb27272567 [1,1,0,0,0,0|2,0,0]=4 334 B10R0.13 CC(CC(=O)O)C(C)C(=O)O Amb4009129 [1,1,0,0,0,0|0,0,0]=2 335 B10R0.13 CC(CC(=O)O)C(N)C(=O)O Amb23440872 [1,1,0,0,0,0|0,0,0]=2 336 B10R0.13 CC(CC(=O)O)C(N)C(N)=O Amb27989322 [1,1,0,0,0,0|1,0,0]=3 337 B10R0.13 CC(CC(=O)O)N(C)C(N)=O Amb18830285 [1,1,0,0,0,0|2,0,0]=4 338 B10R0.13 CC(CC(=O)O)[C@H](N)C(=O)O Amb26990553 [1,1,0,0,0,0|0,0,0]=2 339 B10R0.13 CC(CC(N)=O)C(N)C(=O)O Amb27989323 [1,1,0,0,0,0|1,0,0]=3 340 B10R0.13 CC(OC(N)=O)C(N)C(=O)O Amb26082810 [1,1,0,0,0,0|2,0,0]=4 341 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O Amb26660524 [1,1,0,0,0,0|1,0,1]=4 342 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O Amb19133152 [1,1,0,0,0,0|0,0,0]=2 343 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O Amb28388115 [1,1,0,0,0,0|0,0,0]=2 344 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O Amb28388114 [1,1,0,0,0,0|0,0,0]=2 345 B10R0.13 C[C@H](O)[C@H](O)[C@@H](O)CC(=O)O Amb27990155 [1,1,0,0,0,0|1,0,1]=4 346 B10R0.13 C\C(=C/C(=O)O)C(O)C(=O)O Amb28119844 [1,1,0,0,0,0|0,0,2]=4 347 B10R0.13 NC(=O)CC(O)C(N)C(N)=O Amb28080520 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.13 NC(=O)C[C@@H](O)[C@@H](N)C(=O)O Amb27990186 [1,1,0,0,0,0|1,0,0]=3 349 B10R0.13 NC(=O)[C@@H](N)[C@H](O)CC(=O)O Amb27990184 [1,1,0,0,0,0|1,0,0]=3 350 B10R0.13 NC(=O)[C@H](N)[C@H](O)CC(=O)O Amb27990185 [1,1,0,0,0,0|1,0,0]=3 351 B10R0.13 NC(C(=O)O)C(O)CC(=O)O Amb25383245 [1,1,0,0,0,0|0,0,0]=2 352 B10R0.13 NC(CC(=O)O)C(O)C(=O)O Amb26083654 [1,1,0,0,0,0|1,0,0]=3 353 B10R0.13 NC(CC(=O)O)[C@H](N)C(=O)O Amb24764806 [1,1,0,0,0,0|1,0,0]=3 354 B10R0.13 N[C@@H](C(=O)O)[C@@H](O)CC(=O)O Amb27990015 [1,1,0,0,0,0|0,0,0]=2 355 B10R0.13 N[C@H](C(=O)O)C(F)CC(=O)O Amb26083316 [1,1,0,0,0,0|1,0,0]=3 356 B10R0.13 O=C(O)CC(Br)C(=O)C(=O)O Amb33756838 [1,1,0,0,0,0|1,0,1]=4 357 B10R0.31 CC(CC(=O)O)CS(C)(=O)=O Amb33056371 [1,1,0,0,0,0|1,0,1]=4 358 B10R0.31 CN(CC(=O)O)CP(=O)(O)O Amb3374264 [1,1,0,0,0,0|2,0,0]=4 359 B10R0.31 CS(=O)(=O)CC(O)CC(=O)O Amb33056364 [1,1,0,0,0,0|1,0,1]=4 360 B10R0.31 CS(=O)(=O)C[C@@H](O)CC(=O)O Amb33481788 [1,1,0,0,0,0|1,0,1]=4 361 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Amb33055950 [1,1,0,0,0,0|1,0,1]=4 362 B10R0.31 NC(CC(=O)O)CP(=O)(O)O Amb27990151 [1,1,0,0,0,0|2,0,0]=4 363 B10R0.44 CNC(=O)NC(C)CC(=O)O Amb18290552 [1,1,0,0,0,0|2,0,0]=4 364 B10R0.44 COC(=O)CC(C)CC(=O)O Amb2689808 [1,1,0,0,0,0|0,0,0]=2 365 B10R0.44 COC(=O)CC(C)CC(C)=O Amb32668276 [1,1,0,0,0,0|1,0,0]=3 366 B10R0.44 COC(=O)CC(C)C[N+](=O)[O-] Amb20623014 [1,1,0,0,0,0|1,0,1]=4 367 B10R0.44 COC(=O)CC(C)NC(N)=O Amb27266623 [1,1,0,0,0,0|2,0,0]=4 368 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33621255 [1,1,0,0,0,0|1,0,0]=3 369 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33747103 [1,1,0,0,0,0|1,0,0]=3 370 B10R0.44 COC(=O)NC(C)CC(C)=O Amb27271970 [1,1,0,0,0,0|2,0,0]=4 371 B10R0.70 CCC(CC(=O)O)CC(=O)O Amb33172175 [1,1,0,0,0,0|0,0,0]=2 372 B10R0.70 CCC(CC(=O)O)NC(C)=O Amb25384609 [1,1,0,0,0,0|2,0,0]=4 373 B10R0.70 CC[C@H](CC(=O)O)NC(C)=O Amb27272274 [1,1,0,0,0,0|2,0,0]=4 374 B10R0.70 CC\C(=C/C(=O)O)CC(=O)O Amb27990198 [1,1,0,0,0,0|0,0,2]=4 375 B10R0.70 CC\C(=C\C(=O)O)CC(=O)O Amb27990169 [1,1,0,0,0,0|0,0,2]=4 376 B10R0.70 CNN(CC(=O)O)CC(=O)O Amb24101394 [1,1,0,0,0,0|1,0,0]=3 377 B10R0.70 CO\C(=C/C(=O)O)CC(=O)O Amb27990199 [1,1,0,0,0,0|0,0,2]=4 378 B10R0.70 CO\C(=C\C(=O)O)CC(=O)O Amb27990171 [1,1,0,0,0,0|0,0,2]=4 379 B10R0.70 O=C(O)CC(CF)CC(=O)O Amb33379251 [1,1,0,0,0,0|0,0,0]=2 380 B10R0.102 CC(CN)(CC(=O)O)NC=O Amb33255687 [1,1,0,0,0,0|2,0,0]=4 381 B10R0.102 CCC(C)(CC(=O)O)NC=O Amb33254672 [1,1,0,0,0,0|2,0,0]=4 382 B10R0.102 CCCC(O)(CN)CC(=O)O Amb33346942 [1,1,0,0,0,0|1,0,1]=4 383 B10R0.104 CCCC(C)(O)C(C)C(=O)O Amb19022360 [1,1,0,0,0,0|1,0,1]=4 384 B10R0.104 COCC(C)(O)C(C)C(=O)O Amb18312257 [1,1,0,0,0,0|2,0,0]=4 385 B10R0.104 CSCC(C)(O)C(C)C(=O)O Amb33036103 [1,1,0,0,0,0|2,0,0]=4 386 B10R0.104 CSCC(C)(O)C(F)C(=O)O Amb33036242 [1,1,0,0,0,0|2,0,0]=4 387 B10R0.104 C\C=C\C(C)(O)C(C)C(=O)O Amb33036113 [1,1,0,0,0,0|1,0,1]=4 388 B10R0.122 CC(C)(CN=C=O)CC(=O)O Amb33471415 [1,1,0,0,0,0|1,0,1]=4 389 B10R0.122 CC(O)(CNC=O)CC(=O)O Amb27269320 [1,1,0,0,0,0|0,0,0]=2 390 B10R0.122 CCCCC(C)(O)CC(=O)O Amb33036225 [1,1,0,0,0,0|1,0,1]=4 391 B10R0.122 CCOCC(C)(O)CC(=O)O Amb33036224 [1,1,0,0,0,0|1,0,1]=4 392 B10R0.122 CCSCC(C)(O)CC(=O)O Amb33036263 [1,1,0,0,0,0|1,0,1]=4 393 B10R0.122 COCCC(C)(C)CC(=O)O Amb32990133 [1,1,0,0,0,0|1,0,1]=4 394 B10R0.122 COCCC(C)(N)CC(=O)O Amb33254523 [1,1,0,0,0,0|1,0,1]=4 395 B10R0.141 C=C[C@H](C)[C@@](C)(O)CC(C)=O Amb28080284 [1,1,0,0,0,0|2,0,0]=4 396 B10R0.141 CC(O)(CC(=O)O)C(O)CO Amb27673650 [1,1,0,0,0,0|0,0,1]=3 397 B10R0.47 CC(C)(CC(=O)CN)C(=O)O Amb27990161 [0,1,0,0,1,0|2,0,0]=4 398 B10R0.47 CNC(=O)CC(C)(C)C(=O)O Amb24707522 [0,1,0,0,1,0|2,0,0]=4 399 B10R0.47 COC(=O)CC(C)(C)C(=O)O Amb16232093 [0,1,0,0,1,0|1,0,0]=3 400 B10R0.47 COC(=O)CC(C)(C)C(C)=O Amb27672540 [0,1,0,0,1,0|2,0,0]=4 401 B10R0.47 COC(=O)CC(C)(O)C(C)=O Amb27673775 [0,1,0,0,1,0|1,0,0]=3 402 B10R0.47 COC(=O)NC(C)(C)C(=O)O Amb18974085 [0,1,0,0,1,0|2,0,0]=4 403 B10R0.47 C\C(CC(C)(C)C(=O)O)=N/O Amb27493468 [0,1,0,0,1,0|2,0,0]=4 404 B10R0.117 CC(C(=O)O)C(C)(Cl)C(=O)O Amb27456129 [0,1,0,0,1,0|1,0,0]=3 405 B10R0.117 CC(C(=O)O)C(C)(N)C(=O)O Amb27791829 [0,1,0,0,1,0|1,0,0]=3 406 B10R0.117 CC(C(=O)O)C(C)(S)C(=O)O Amb27429072 [0,1,0,0,1,0|0,1,0]=3 407 B10R0.117 CC(C)(C(=O)O)C(Br)C(=O)O Amb25089525 [0,1,0,0,1,0|1,0,0]=3 408 B10R0.117 CC(C)(C(=O)O)C(N)C(=O)O Amb27232768 [0,1,0,0,1,0|1,0,0]=3 409 B10R0.117 CC(C)(C(=O)O)C(O)C(=O)O Amb18126316 [0,1,0,0,1,0|1,0,0]=3 410 B10R0.117 CC(C)(C(N)C(=O)O)S(=O)O Amb24487834 [0,1,0,0,1,0|2,0,0]=4 411 B10R0.117 CC(Cl)(C(N)=O)C(O)C(=O)O Amb27845428 [0,1,0,0,1,0|2,0,0]=4 412 B10R0.117 CC(O)(C(N)=O)C(O)C(N)=O Amb27975478 [0,1,0,0,1,0|2,0,0]=4 413 B10R0.117 C[C@@H](C(=O)O)[C@](C)(N)C(=O)O Amb28141183 [0,1,0,0,1,0|1,0,0]=3 414 B10R0.117 C[C@@H](C(=O)O)[C@](C)(O)C(=O)O Amb27876050 [0,1,0,0,1,0|0,0,0]=2 415 B10R0.117 C[C@@](O)(C(=O)O)[C@H](O)C(=O)O Amb28385578 [0,1,0,0,1,0|0,0,0]=2 416 B10R0.117 C[C@@](O)(C(N)=O)[C@@H](O)C(N)=O Amb28141953 [0,1,0,0,1,0|2,0,0]=4 417 B10R0.117 C[C@H](C(=O)O)[C@@](C)(Cl)C(=O)O Amb28070747 [0,1,0,0,1,0|1,0,0]=3 418 B10R0.117 C[C@H](C(=O)O)[C@](C)(O)C(=O)O Amb27483589 [0,1,0,0,1,0|0,0,0]=2 419 B10R0.117 NC(C(=O)O)C(F)(F)C(=O)O Amb24558165 [0,1,0,0,1,0|2,0,0]=4 420 B10R0.117 N[C@@H](C(=O)O)C(F)(F)C(=O)O Amb26566062 [0,1,0,0,1,0|2,0,0]=4 421 B10R0.117 O=C(O)C(O)C(F)(F)C(=O)O Amb27650600 [0,1,0,0,1,0|2,0,0]=4 422 B10R0.119 C=CC(N)(CC(=O)O)C(=O)O Amb26659495 [0,1,0,0,1,0|1,0,1]=4 423 B10R0.119 CC(=O)N[C@](C)(CO)C(=O)O Amb27758605 [0,1,0,0,1,0|2,0,0]=4 424 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Amb22546424 [0,1,0,0,1,0|1,0,0]=3 425 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Amb26999762 [0,1,0,0,1,0|1,0,0]=3 426 B10R0.119 CC(CO)(NC(N)=O)C(=O)O Amb28385975 [0,1,0,0,1,0|2,0,0]=4 427 B10R0.119 CCC(C)(CC(=O)O)C(=O)O Amb17776967 [0,1,0,0,1,0|1,0,0]=3 428 B10R0.119 CCC(N)(CC(=O)O)C(=O)O Amb27673263 [0,1,0,0,1,0|1,0,0]=3 429 B10R0.119 N[C@@](CO)(CC(=O)O)C(=O)O Amb27001406 [0,1,0,0,1,0|1,0,0]=3 430 B10R0.119 N[C@](CO)(CC(=O)O)C(=O)O Amb26659195 [0,1,0,0,1,0|1,0,0]=3 431 B10R0.119 O=C(O)CC(Cl)(CO)C(=O)O Amb27271127 [0,1,0,0,1,0|1,0,0]=3 432 B10R0.163 CC(C)(CS(=O)(=O)O)C(=O)O Amb28343120 [0,1,0,0,1,0|2,0,0]=4 433 B10R0.163 CC(N)(CP(=O)(O)O)C(=O)O Amb27614362 [0,1,0,0,1,0|2,0,0]=4 434 B10R0.163 CC(N)(CP(C)(=O)O)C(=O)O Amb27835231 [0,1,0,0,1,0|2,0,0]=4 435 B12R0.271 CCCC(O)(CC(=O)O)CC(=O)O Amb26304190 [0,2,0,0,0,0|0,0,0]=2 436 B12R0.271 COCC(C)(CC(=O)O)NC(C)=O Amb32787636 [0,2,0,0,0,0|2,0,0]=4 437 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb10070578 [0,2,0,0,0,0|0,0,1]=3 438 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb16232172 [0,2,0,0,0,0|0,0,1]=3 439 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb19958282 [0,2,0,0,0,0|0,0,1]=3 440 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb21947902 [0,2,0,0,0,0|0,0,1]=3 441 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22000691 [0,2,0,0,0,0|0,0,1]=3 442 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22167468 [0,2,0,0,0,0|0,0,1]=3 443 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22264824 [0,2,0,0,0,0|0,0,1]=3 444 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22264888 [0,2,0,0,0,0|0,0,1]=3 445 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb24079735 [0,2,0,0,0,0|0,0,1]=3 446 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb6335855 [0,2,0,0,0,0|0,0,1]=3 447 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb8513233 [0,2,0,0,0,0|0,0,1]=3 448 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb9825337 [0,2,0,0,0,0|0,0,1]=3 449 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)O Amb20246421 [0,2,0,0,0,0|0,0,2]=4 450 B12R0.500 COC(=O)CC(C)(C)CC(=O)OC Amb4019122 [0,2,0,0,0,0|1,0,0]=3 451 B12R0.744 CCOC(=O)CC(C)(C)CC(=O)O Amb28556004 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.54 CC(=O)CC1CCC(=O)C1 Amb28122070 [1,0,0,1,0,0|2,0,0]=4 453 B10R1.54 CC(=O)OC1COC(=O)C1 Amb22730362 [1,0,0,1,0,0|2,0,0]=4 454 B10R1.54 CC(=O)O[C@@H]1COC(=O)C1 Amb8516055 [1,0,0,1,0,0|2,0,0]=4 455 B10R1.54 CC(=O)O[C@H]1COC(=O)C1 Amb22225179 [1,0,0,1,0,0|2,0,0]=4 456 B10R1.54 CC1=NOC(CC(=O)O)C1 Amb5721477 [1,0,0,1,0,0|2,0,0]=4 457 B10R1.54 CC1CC(CC(=O)O)CO1 Amb29866066 [1,0,0,1,0,0|1,0,1]=4 458 B10R1.54 O=C(Cl)CC1CCC(=O)C1 Amb27614921 [1,0,0,1,0,0|2,0,0]=4 459 B10R1.54 O=C(O)CC1=CC(=O)OC1 Amb27615054 [1,0,0,1,0,0|0,0,2]=4 460 B10R1.54 O=C(O)CC1=NOC(=O)C1 Amb18202495 [1,0,0,1,0,0|1,0,1]=4 461 B10R1.54 O=C(O)CC1CC(=O)CN1 Amb27860610 [1,0,0,1,0,0|2,0,0]=4 462 B10R1.54 O=C(O)CC1CCC(=O)C1 Amb18643816 [1,0,0,1,0,0|1,0,0]=3 463 B10R1.54 O=C(O)CC1CCC(=O)N1 Amb2372619 [1,0,0,1,0,0|2,0,0]=4 464 B10R1.54 O=C(O)CC1CCC(=O)O1 Amb6316138 [1,0,0,1,0,0|2,0,0]=4 465 B10R1.54 O=C(O)CC1CCC(O)C1 Amb33545095 [1,0,0,1,0,0|1,0,1]=4 466 B10R1.54 O=C(O)CC1CNC(=O)C1 Amb18831602 [1,0,0,1,0,0|1,0,0]=3 467 B10R1.54 O=C(O)CC1COC(=O)C1 Amb20669416 [1,0,0,1,0,0|0,0,0]=2 468 B10R1.54 O=C(O)CC1COC(=O)N1 Amb27838109 [1,0,0,1,0,0|1,0,0]=3 469 B10R1.54 O=C(O)C[C@@H]1CCC(=O)C1 Amb24480441 [1,0,0,1,0,0|1,0,0]=3 470 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 Amb22587587 [1,0,0,1,0,0|2,0,0]=4 471 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Amb33716084 [1,0,0,1,0,0|1,0,1]=4 472 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Amb27654242 [1,0,0,1,0,0|1,0,1]=4 473 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Amb24410373 [1,0,0,1,0,0|1,0,0]=3 474 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 Amb22898751 [1,0,0,1,0,0|1,0,0]=3 475 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 Amb22587585 [1,0,0,1,0,0|2,0,0]=4 476 B10R1.54 O=C(O)C[C@H]1CCC(=O)O1 Amb26025159 [1,0,0,1,0,0|2,0,0]=4 477 B10R1.54 O=C(O)C[C@H]1CC[C@@H](O)C1 Amb28197757 [1,0,0,1,0,0|1,0,1]=4 478 B10R1.54 O=C(O)C[C@H]1CC[C@H](O)C1 Amb27221654 [1,0,0,1,0,0|1,0,1]=4 479 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Amb26611732 [1,0,0,1,0,0|1,0,0]=3 480 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 Amb25744486 [1,0,0,1,0,0|1,0,0]=3 481 B10R1.59 CC(=O)[C@@H]1CC(=O)C[C@@H]1C Amb27844197 [1,0,0,1,0,0|2,0,0]=4 482 B10R1.59 CC(=O)[C@@H]1OC(=O)C[C@@H]1C Amb25319949 [1,0,0,1,0,0|1,0,0]=3 483 B10R1.59 CC1CC(=O)NC1C(=O)O Amb25063723 [1,0,0,1,0,0|1,0,0]=3 484 B10R1.59 CC1CC(=O)NC1C(N)=O Amb28435298 [1,0,0,1,0,0|2,0,0]=4 485 B10R1.59 CC1CC(C)C(C(=O)O)O1 Amb25943591 [1,0,0,1,0,0|1,0,1]=4 486 B10R1.59 CC1CC(O)CC1C(=O)O Amb27447223 [1,0,0,1,0,0|1,0,1]=4 487 B10R1.59 CC1NC(=O)OC1C(=O)O Amb25046075 [1,0,0,1,0,0|1,0,0]=3 488 B10R1.59 CC1NC(=O)OC1C(N)=O Amb27962612 [1,0,0,1,0,0|2,0,0]=4 489 B10R1.59 CC1OC(=O)NC1C(=O)O Amb18644184 [1,0,0,1,0,0|2,0,0]=4 490 B10R1.59 CC1SC(=O)NC1C(=O)O Amb28208417 [1,0,0,1,0,0|2,0,0]=4 491 B10R1.59 CC1SC(=O)SC1C(=O)O Amb23504453 [1,0,0,1,0,0|1,1,0]=4 492 B10R1.59 C[C@@H]1CC(=O)C[C@H]1C(=O)O Amb26891990 [1,0,0,1,0,0|1,0,0]=3 493 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O Amb27188183 [1,0,0,1,0,0|1,0,0]=3 494 B10R1.59 C[C@@H]1CC(=O)O[C@@H]1C(=O)O Amb28428901 [1,0,0,1,0,0|0,0,0]=2 495 B10R1.59 C[C@@H]1NC(=O)C[C@H]1C(=O)O Amb18202489 [1,0,0,1,0,0|2,0,0]=4 496 B10R1.59 C[C@@H]1NC(=O)O[C@@H]1C(=O)O Amb28057719 [1,0,0,1,0,0|1,0,0]=3 497 B10R1.59 C[C@@H]1NC(=O)O[C@H]1C(=O)O Amb27630658 [1,0,0,1,0,0|1,0,0]=3 498 B10R1.59 C[C@@H]1OC(=O)C[C@@H]1C(=O)O Amb27810863 [1,0,0,1,0,0|2,0,0]=4 499 B10R1.59 C[C@@H]1OC(=O)N[C@H]1C(=O)O Amb25243703 [1,0,0,1,0,0|2,0,0]=4 500 B10R1.59 C[C@@H]1SC(=O)S[C@H]1C(=O)O Amb28384455 [1,0,0,1,0,0|1,1,0]=4 501 B10R1.59 C[C@H](O)C1OC(=O)C[C@@H]1O Amb28345319 [1,0,0,1,0,0|1,0,1]=4 502 B10R1.59 C[C@H](O)[C@@H]1OC(=O)C[C@H]1O Amb28350193 [1,0,0,1,0,0|1,0,1]=4 503 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O Amb28429784 [1,0,0,1,0,0|1,0,0]=3 504 B10R1.59 C[C@H]1CC(=O)O[C@@H]1C(=O)O Amb27230560 [1,0,0,1,0,0|0,0,0]=2 505 B10R1.59 C[C@H]1NC(=O)O[C@@H]1C(=O)O Amb28346276 [1,0,0,1,0,0|1,0,0]=3 506 B10R1.59 C[C@H]1OC(=O)O[C@@H]1C(=O)O Amb27446650 [1,0,0,1,0,0|1,0,0]=3 507 B10R1.59 NC1CC(=O)CC1C(=O)O Amb24523031 [1,0,0,1,0,0|2,0,0]=4 508 B10R1.59 N[C@H]1CC(=O)C[C@H]1C(=O)O Amb27658876 [1,0,0,1,0,0|2,0,0]=4 509 B10R1.59 O=C(O)[C@H]1O[C@@H](O)C[C@@H]1O Amb27961459 [1,0,0,1,0,0|0,0,2]=4 510 B10R1.59 O=C(O)[C@H]1O[C@H](O)C[C@@H]1O Amb27422050 [1,0,0,1,0,0|0,0,2]=4 511 B10R1.59 O=C1CC(O)C(C(=O)O)N1 Amb27175349 [1,0,0,1,0,0|1,0,0]=3 512 B10R1.59 O=C1CC(O)C(C(=O)O)O1 Amb27815003 [1,0,0,1,0,0|0,0,0]=2 513 B10R1.59 O=C1C[C@@H](O)[C@H](C(=O)O)O1 Amb27254163 [1,0,0,1,0,0|0,0,0]=2 514 B10R1.59 O=C1C[C@H](O)[C@@H](C(=O)O)N1 Amb27803055 [1,0,0,1,0,0|1,0,0]=3 515 B10R1.282 C=C1C(C(=O)O)C1C(=O)O Amb9703293 [1,0,0,1,0,0|0,0,2]=4 516 B10R1.282 C=C1C(C(=O)O)[C@@H]1C(=O)O Amb27830032 [1,0,0,1,0,0|0,0,2]=4 517 B10R1.282 C=C1[C@@H](C(=O)O)[C@@H]1C(=O)O Amb533202 [1,0,0,1,0,0|0,0,2]=4 518 B10R1.282 C=C1[C@@H](C(=O)O)[C@H]1C(=O)O Amb10069605 [1,0,0,1,0,0|0,0,2]=4 519 B10R1.282 C=C1[C@H](C(=O)O)[C@H]1C(=O)O Amb2721000 [1,0,0,1,0,0|0,0,2]=4 520 B10R1.282 CC(=O)C1C(C)C1C(=O)O Amb27794780 [1,0,0,1,0,0|1,0,0]=3 521 B10R1.282 CC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)O Amb27489158 [1,0,0,1,0,0|1,0,0]=3 522 B10R1.282 CC1C(C(=O)O)C1C(=O)O Amb25113473 [1,0,0,1,0,0|0,0,0]=2 523 B10R1.282 CC1C(C(N)=O)C1C(=O)O Amb27816551 [1,0,0,1,0,0|1,0,0]=3 524 B10R1.282 CC1[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27422045 [1,0,0,1,0,0|0,0,0]=2 525 B10R1.282 CC1[C@H](C(=O)O)[C@H]1C(=O)O Amb25956733 [1,0,0,1,0,0|0,0,0]=2 526 B10R1.282 N[C@@H]1[C@@H](C(=O)O)[C@H]1C(=O)O Amb27472114 [1,0,0,1,0,0|1,0,0]=3 527 B10R1.309 CC(=O)CC1(C)CC(=O)O1 Amb27217382 [1,0,0,1,0,0|1,0,0]=3 528 B10R1.309 C[C@]1(CC(=O)O)CC(=O)O1 Amb27827327 [1,0,0,1,0,0|0,0,0]=2 529 B10R1.330 CC1CC(=O)C=CC(=O)C1 Amb27267063 [1,0,0,1,0,0|2,0,0]=4 530 B10R1.368 CC(=O)NC1CC1C(=O)O Amb18831601 [1,0,0,1,0,0|2,0,0]=4 531 B10R1.368 O=C(O)CC1OC1C(=O)O Amb28146420 [1,0,0,1,0,0|0,0,0]=2 532 B10R1.368 O=C(O)C[C@@H]1O[C@@H]1C(=O)O Amb27254162 [1,0,0,1,0,0|0,0,0]=2 533 B10R1.368 O=C(O)\C=C1\CC1C(=O)O Amb27216810 [1,0,0,1,0,0|0,0,2]=4 534 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 Amb22386897 [1,0,0,1,0,0|1,0,1]=4 535 B10R1.42 CC(=O)C1C(C=O)C1(C)C Amb27432992 [1,0,0,1,0,0|2,0,0]=4 536 B10R1.42 CC1(C)C(C=O)C1C(=O)O Amb27390670 [1,0,0,1,0,0|1,0,0]=3 537 B10R1.42 CC1(C)[C@@H](C(=O)O)[C@H]1C=O Amb25912080 [1,0,0,1,0,0|1,0,0]=3 538 B10R1.42 CC1(C)[C@@H](CO)[C@@H]1C(=O)O Amb26954921 [1,0,0,1,0,0|1,0,1]=4 539 B10R1.42 O=CC1C(C(=O)O)C1(F)F Amb28041796 [1,0,0,1,0,0|2,0,0]=4 540 B10R1.128 CC1(O)CCCC1C(=O)O Amb27617025 [1,0,0,1,0,0|1,0,1]=4 541 B10R1.128 C[C@@]1(O)CCN[C@@H]1C(=O)O Amb26589014 [1,0,0,1,0,0|1,0,1]=4 542 B10R1.154 NC1(CC(=O)O)CC1CO Amb27759300 [1,0,0,1,0,0|1,0,1]=4 543 B10R1.154 N[C@@]1(CC(=O)O)C[C@H]1CO Amb26554585 [1,0,0,1,0,0|1,0,1]=4 544 B10R1.154 N[C@]1(CC(=O)O)CC1CO Amb28343286 [1,0,0,1,0,0|1,0,1]=4 545 B10R1.358 CC(O)(CC(=O)O)C1CC1 Amb18298156 [1,0,0,1,0,0|1,0,1]=4 546 B10R1.370 CC(=O)CC1(O)CCOC1 Amb32943789 [1,0,0,1,0,0|1,0,1]=4 547 B10R1.370 CC1(CC(=O)O)CCCO1 Amb33620695 [1,0,0,1,0,0|1,0,1]=4 548 B10R1.370 CC1(CC(=O)O)CCOC1 Amb28193907 [1,0,0,1,0,0|1,0,1]=4 549 B10R1.370 NC1(CC(=O)O)CCOC1 Amb22059549 [1,0,0,1,0,0|1,0,1]=4 550 B10R1.370 NC1(CC(=O)O)CCOC1 Amb32693448 [1,0,0,1,0,0|1,0,1]=4 551 B10R1.370 O=C(O)CC1(O)C=CCC1 Amb32652516 [1,0,0,1,0,0|1,0,1]=4 552 B10R1.370 O=C(O)CC1(O)CCCC1 Amb18285919 [1,0,0,1,0,0|1,0,1]=4 553 B10R1.370 O=C(O)CC1(O)CCNC1 Amb25135404 [1,0,0,1,0,0|1,0,1]=4 554 B10R1.370 O=C(O)CC1(O)CCOC1 Amb32672194 [1,0,0,1,0,0|0,0,1]=3 555 B10R1.370 O=C(O)CC1(O)CCSC1 Amb18961446 [1,0,0,1,0,0|0,1,1]=4 556 B10R1.390 CC1CC(O)(CC=O)CO1 Amb35732767 [1,0,0,1,0,0|1,0,1]=4 557 B10R1.393 C=CCC1(C)OC1C(C)=O Amb26843979 [1,0,0,1,0,0|2,0,0]=4 558 B10R1.394 O=CNC1(CC(=O)O)CC1 Amb27786603 [1,0,0,1,0,0|2,0,0]=4 559 B10R1.444 CC1(C)CC(=O)CC1C=O Amb28141256 [1,0,0,1,0,0|2,0,0]=4 560 B10R1.444 CC1(C)CC(=O)OC1CO Amb4018992 [1,0,0,1,0,0|1,0,1]=4 561 B10R1.444 C[C@@]1(O)CC(=O)O[C@@H]1CO Amb27443423 [1,0,0,1,0,0|0,0,1]=3 562 B10R1.444 C[C@@]1(O)CC(=O)O[C@H]1CO Amb27197547 [1,0,0,1,0,0|0,0,1]=3 563 B10R1.83 CC(=O)C1OC(=O)C1(C)C Amb26643116 [0,0,0,1,1,0|2,0,0]=4 564 B10R1.83 CC1(C)C(=O)CC1C(=O)O Amb23439763 [0,0,0,1,1,0|2,0,0]=4 565 B10R1.83 CC1(C)C(=O)OC1C(=O)O Amb17593617 [0,0,0,1,1,0|1,0,0]=3 566 B10R1.360 CC(=O)C1(Br)CC1C(=O)O Amb28204025 [0,0,0,1,1,0|2,0,0]=4 567 B10R1.360 CC1(C(=O)O)CC1C(=O)O Amb612291 [0,0,0,1,1,0|1,0,0]=3 568 B10R1.360 C[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb24598825 [0,0,0,1,1,0|1,0,0]=3 569 B10R1.360 C[C@@]1(C(=O)O)O[C@@H]1C(=O)O Amb25340526 [0,0,0,1,1,0|0,0,0]=2 570 B10R1.360 C[C@]1(C(=O)O)C[C@@H]1C(=O)O Amb27420123 [0,0,0,1,1,0|1,0,0]=3 571 B10R1.360 C[C@]1(C(=O)O)C[C@H]1C(=O)O Amb27969184 [0,0,0,1,1,0|1,0,0]=3 572 B10R1.360 NC1(C(=O)O)CC1C(=O)O Amb25124900 [0,0,0,1,1,0|1,0,0]=3 573 B10R1.360 N[C@@]1(C(=O)O)C[C@H]1C(=O)O Amb24515142 [0,0,0,1,1,0|1,0,0]=3 574 B10R1.360 N[C@]1(C(=O)O)C[C@H]1C(=O)O Amb23452828 [0,0,0,1,1,0|1,0,0]=3 575 B10R1.360 O=C(O)C1CC1(Br)C(=O)O Amb27770448 [0,0,0,1,1,0|1,0,0]=3 576 B10R1.360 O=C(O)C1CC1(Cl)C(=O)O Amb27838075 [0,0,0,1,1,0|1,0,0]=3 577 B10R1.360 O=C(O)C1CC1(O)C(=O)O Amb27975726 [0,0,0,1,1,0|0,0,0]=2 578 B10R1.360 O=C(O)[C@@H]1C[C@@]1(Br)C(=O)O Amb27213790 [0,0,0,1,1,0|1,0,0]=3 579 B10R1.360 O=C(O)[C@H]1C[C@@]1(Br)C(=O)O Amb27969089 [0,0,0,1,1,0|1,0,0]=3 580 B10R1.360 O=C(O)[C@H]1C[C@@]1(Cl)C(=O)O Amb27984863 [0,0,0,1,1,0|1,0,0]=3 581 B10R1.442 CC(=O)CC1(C(=O)O)CC1 Amb35789256 [0,0,0,1,1,0|2,0,0]=4 582 B10R1.442 NC(=O)C1(CC(=O)O)CO1 Amb27617834 [0,0,0,1,1,0|1,0,0]=3 583 B10R1.442 O=C(O)CC1(C(=O)O)CC1 Amb27410590 [0,0,0,1,1,0|1,0,0]=3 584 B10R1.470 C=C1CCC(O)(C(=O)O)C1 Amb27620508 [0,0,0,1,1,0|2,0,0]=4 585 B10R1.470 CC1(C(=O)O)CCC(=O)C1 Amb23454199 [0,0,0,1,1,0|2,0,0]=4 586 B10R1.470 CC1(C(=O)O)CNC(=O)C1 Amb22546311 [0,0,0,1,1,0|2,0,0]=4 587 B10R1.470 CC1(C(=O)O)COC(=O)N1 Amb27838110 [0,0,0,1,1,0|2,0,0]=4 588 B10R1.470 CC1(C(=O)O)COC(=O)O1 Amb28422351 [0,0,0,1,1,0|2,0,0]=4 589 B10R1.470 CC1=CCC(O)(C(=O)O)C1 Amb28067642 [0,0,0,1,1,0|2,0,0]=4 590 B10R1.470 CC1=NOC(C)(C(=O)O)C1 Amb9133050 [0,0,0,1,1,0|2,0,0]=4 591 B10R1.470 CC1CC(O)(C(=O)O)CO1 Amb29850198 [0,0,0,1,1,0|1,0,1]=4 592 B10R1.470 C[C@@]1(C(=O)O)COC(=O)O1 Amb27467542 [0,0,0,1,1,0|2,0,0]=4 593 B10R1.470 O=C1CCC(O)(C(=O)O)O1 Amb28050065 [0,0,0,1,1,0|2,0,0]=4 594 B10R1.470 O=C1C[C@@](O)(C(=O)O)CO1 Amb25084490 [0,0,0,1,1,0|0,0,0]=2 595 B12R1.349 CC1(CC(=O)O)CCC(=O)CC1 Amb27641871 [0,0,0,1,0,1|2,0,0]=4 596 B12R1.349 CC1(CC(=O)O)CNC(=O)NC1 Amb24671454 [0,0,0,1,0,1|2,0,0]=4 597 B12R1.349 CC1(CC(=O)O)CNC(=O)OC1 Amb24644126 [0,0,0,1,0,1|1,0,0]=3 598 B12R1.349 CC1CCC(O)(CC(=O)O)CO1 Amb29849990 [0,0,0,1,0,1|1,0,1]=4 599 B12R1.349 C[C@@]1(CC(=O)O)C=CC(=O)CC1 Amb27401822 [0,0,0,1,0,1|2,0,0]=4 600 B12R1.349 O=C(O)CC1(O)CCC(O)CC1 Amb24532545 [0,0,0,1,0,1|1,0,1]=4 601 B12R1.349 O=C(O)C[C@]1(O)CC[C@@H](O)CC1 Amb23604022 [0,0,0,1,0,1|1,0,1]=4 602 B12R1.349 O=C(O)C[C@]1(O)CC[C@H](O)CC1 Amb23604021 [0,0,0,1,0,1|1,0,1]=4 603 B12R1.852 CC(=O)CC1OC(=O)CC1(C)C Amb25993984 [0,0,0,1,0,1|2,0,0]=4 604 B12R1.1282 CC1(C)CCC(=O)CC1C(=O)O Amb27858727 [0,0,0,1,0,1|2,0,0]=4 605 B12R1.1822 CC1(C)[C@@H](C(=O)O)[C@H]1CC(=O)O Amb27431793 [0,0,0,1,0,1|1,0,0]=3 606 B12R1.1822 CC1(C)[C@@H](CC(=O)O)[C@@H]1C(=O)O Amb28051885 [0,0,0,1,0,1|1,0,0]=3 607 B12R1.1830 C[C@]1(CC(=O)O)C[C@H](C(=O)O)C1 Amb28343191 [0,0,0,1,0,1|1,0,0]=3 608 B12R1.1831 O=C(O)CC1(O)CCS(=O)(=O)C1 Amb32696740 [0,0,0,1,0,1|1,0,1]=4 609 B12R1.3005 CC(=O)C1CC(=O)CC(C)(O)C1 Amb27836822 [0,0,0,1,0,1|2,0,0]=4 610 B12R1.3005 CC1(C)CC(=O)CC(C(=O)O)O1 Amb18198353 [0,0,0,1,0,1|2,0,0]=4 611 B12R1.3799 CC1CC(O)(CCC(=O)O)CO1 Amb29850214 [0,0,0,1,0,1|1,0,1]=4 612 B12R1.857 CC1(CC(=O)O)CC(=O)NC1=O Amb27400346 [0,1,0,1,0,0|1,0,1]=4 613 B12R1.857 CC1(CC(=O)O)CC(=O)OC1=O Amb27407027 [0,1,0,1,0,0|0,0,1]=3 614 B12R1.857 O=C(O)CC1(O)CC(=O)NC1=O Amb27484151 [0,1,0,1,0,0|1,0,1]=4 615 B12R1.1257 CC1(CC(=O)O)CCCC(=O)C1 Amb18647356 [0,1,0,1,0,0|2,0,0]=4 616 B12R1.1257 C[C@@]1(CC(=O)O)CCCC(=O)C1 Amb25144060 [0,1,0,1,0,0|2,0,0]=4 617 B12R1.1825 CC(=O)C1CCC1(C)CC(=O)O Amb25100970 [0,1,0,1,0,0|2,0,0]=4 618 B12R1.1825 CC(=O)[C@H]1CC[C@@]1(C)CC(=O)O Amb27634818 [0,1,0,1,0,0|2,0,0]=4 619 B12R1.1826 CC(=O)NC1(CC(=O)O)COC1 Amb33254081 [0,1,0,1,0,0|2,0,0]=4 620 B12R1.1826 O=C(O)CC1(CC(=O)O)CCC1 Amb21858189 [0,1,0,1,0,0|1,0,0]=3 621 B12R1.865 CC1(C)OC(=O)[C@H](O)[C@@H]1C(=O)O Amb28131385 [0,1,0,1,0,0|2,0,0]=4 622 B12R1.1280 CC1(C)CC(=O)C=CC1C(=O)O Amb27232869 [0,1,0,1,0,0|2,0,0]=4 623 B12R1.1280 CC1(C)CC(=O)CCC1C(=O)O Amb21858486 [0,1,0,1,0,0|2,0,0]=4 624 B12R1.1280 CC1(C)CC(=O)CC[C@@H]1C(=O)O Amb26399525 [0,1,0,1,0,0|2,0,0]=4 625 B12R1.1280 CC1(C)CC(=O)NCC1C(=O)O Amb31242310 [0,1,0,1,0,0|2,0,0]=4 626 B12R1.1711 CNC(=O)C1C(C(=O)O)C1(C)C Amb24048261 [0,1,0,1,0,0|2,0,0]=4 627 B12R1.1711 COC(=O)C1C(C(=O)Cl)C1(C)C Amb25831027 [0,1,0,1,0,0|2,0,0]=4 628 B12R1.1711 COC(=O)C1C(C(C)=O)C1(C)C Amb28054457 [0,1,0,1,0,0|2,0,0]=4 629 B12R1.1711 COC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb28320746 [0,1,0,1,0,0|1,0,0]=3 630 B12R1.1711 COC(=O)[C@@H]1[C@@H](C(=O)O)C1(F)F Amb27788424 [0,1,0,1,0,0|2,0,0]=4 631 B12R1.1711 COC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C Amb25272785 [0,1,0,1,0,0|1,0,0]=3 632 B12R1.2224 COC(=O)CC1(C)CCC(=O)C1 Amb27211945 [0,1,0,1,0,0|2,0,0]=4 633 B12R1.2567 CCC1=NOC(C)(CC(=O)O)C1 Amb27758651 [0,1,0,1,0,0|2,0,0]=4 634 B12R1.2567 CCC1CC(O)(CC(=O)O)CO1 Amb35633950 [0,1,0,1,0,0|1,0,1]=4 635 B12R1.3483 COC(=O)C1CC(=O)CC1(C)C Amb27656434 [0,1,0,1,0,0|2,0,0]=4 636 B12R1.3521 COC(=O)CC1(CC(=O)O)CC1 Amb33465539 [0,1,0,1,0,0|1,0,0]=3 637 B12R1.1337 CC(=O)C1CC(C(=O)O)C1(C)C Amb24341676 [0,1,0,1,0,0|2,0,0]=4 638 B12R1.1337 CC(=O)[C@@H]1C[C@@H](C(=O)O)C1(C)C Amb26570696 [0,1,0,1,0,0|2,0,0]=4 639 B12R1.1337 CC(=O)[C@@H]1C[C@H](C(=O)O)C1(C)C Amb24339454 [0,1,0,1,0,0|2,0,0]=4 640 B12R1.1337 CC(=O)[C@H]1C[C@@H](C(=O)O)C1(C)C Amb25950592 [0,1,0,1,0,0|2,0,0]=4 641 B12R1.1337 CC1(C)C(C(=O)O)CC1C(=O)O Amb4010856 [0,1,0,1,0,0|1,0,0]=3 642 B12R1.1337 CC1(C)[C@@H](C(=O)O)C[C@@H]1C(=O)O Amb34913095 [0,1,0,1,0,0|1,0,0]=3 643 B12R1.1337 CC1(C)[C@@H](C(=O)O)C[C@H]1C(=O)O Amb26849740 [0,1,0,1,0,0|1,0,0]=3 644 B12R1.1337 CC1(C)[C@H](C(=O)O)C[C@H]1C(=O)O Amb26532169 [0,1,0,1,0,0|1,0,0]=3 645 B12R1.2692 C=C1CC(C)(O)C(C)(C(=O)O)C1 Amb18647349 [0,1,0,1,0,0|2,0,0]=4 646 B12R1.2692 C=C1C[C@](C)(C(=O)O)[C@](C)(O)C1 Amb28245220 [0,1,0,1,0,0|2,0,0]=4 647 B12R1.2692 C=C1C[C@](C)(O)[C@@](C)(C(=O)O)C1 Amb27433912 [0,1,0,1,0,0|2,0,0]=4 648 B12R1.2705 CC1OCC(O)(CC(=O)O)C1C Amb29868254 [0,1,0,1,0,0|1,0,1]=4 649 B12R1.3173 NC1(C(=O)O)CC1(F)CC(=O)O Amb27640704 [0,1,0,1,0,0|1,0,0]=3 650 B12R1.3800 CC1=NOC(C)(C(C)C(=O)O)C1 Amb28458471 [0,1,0,1,0,0|2,0,0]=4 651 B12R1.3800 CC1CC(O)(C(C)C(=O)O)CO1 Amb29850213 [0,1,0,1,0,0|1,0,1]=4 652 B12R1.3800 CC1CC(O)(C(F)C(=O)O)CO1 Amb29850215 [0,1,0,1,0,0|1,0,1]=4 653 B12R1.3800 C[C@]1([C@@H](N)C(=O)O)CC(Cl)=NO1 Amb27419970 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.785 O=C1CC2(CC2)C(C(=O)O)N1 Amb27855367 [0,0,0,2,0,0|2,0,0]=4 655 B12R2.1170 O=C(O)C1C2C(=O)OCC12Br Amb651897 [0,0,0,2,0,0|1,0,0]=3 656 B12R2.1168 O=C1CC2(CN1)COC(=O)C2 Amb27827392 [0,0,0,2,0,0|2,0,0]=4 657 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [1,0,0,0,1,0|1,0,0]=3 658 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [1,0,0,0,1,0|2,0,0]=4 659 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [1,0,0,0,1,0|2,0,0]=4 660 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [1,0,0,0,1,0|2,0,0]=4 661 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [1,0,0,0,1,0|2,0,0]=4 662 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [1,0,0,0,1,0|2,0,0]=4 663 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [1,0,0,0,1,0|2,0,0]=4 664 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [1,0,0,0,1,0|2,0,0]=4 665 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [1,0,0,0,1,0|2,0,0]=4 666 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [1,0,0,0,1,0|2,0,0]=4 667 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [1,0,0,0,1,0|2,0,0]=4 668 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [1,0,0,0,1,0|0,0,2]=4 669 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [1,0,0,0,1,0|2,0,0]=4 670 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [1,0,0,0,1,0|2,0,0]=4 671 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [1,0,0,0,1,0|1,0,0]=3 672 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [1,0,0,0,1,0|2,0,0]=4 673 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [1,0,0,0,1,0|1,0,0]=3 674 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [1,0,0,0,1,0|1,0,0]=3 675 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [1,0,0,0,1,0|2,0,0]=4 676 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [1,0,0,0,1,0|2,0,0]=4 677 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [1,0,0,0,1,0|2,0,0]=4 678 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [1,0,0,0,1,0|1,0,0]=3 679 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [1,0,0,0,1,0|2,0,0]=4 680 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [1,0,0,0,1,0|1,0,0]=3 681 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [1,0,0,0,1,0|1,0,0]=3 682 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [1,0,0,0,1,0|2,0,0]=4 683 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [1,0,0,0,1,0|2,0,0]=4 684 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [1,0,0,0,1,0|1,0,0]=3 685 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [1,0,0,0,1,0|2,0,0]=4 686 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [1,0,0,0,1,0|2,0,0]=4 687 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [1,0,0,0,1,0|2,0,0]=4 688 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [1,0,0,0,1,0|2,0,0]=4 689 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [1,0,0,0,1,0|2,0,0]=4 690 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [1,0,0,0,1,0|2,0,0]=4 691 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [1,0,0,0,1,0|2,0,0]=4 692 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [1,0,0,0,1,0|2,0,0]=4 693 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [1,0,0,0,1,0|2,0,0]=4 694 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [1,0,0,0,1,0|1,0,0]=3 695 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [1,0,0,0,1,0|1,0,0]=3 696 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [1,0,0,0,1,0|2,0,0]=4 697 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [1,0,0,0,1,0|0,0,0]=2 698 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [1,0,0,0,1,0|1,0,0]=3 699 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [1,0,0,0,1,0|2,0,0]=4 700 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [1,0,0,0,1,0|1,0,0]=3 701 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [1,0,0,0,1,0|2,0,0]=4 702 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [1,0,0,0,1,0|1,0,0]=3 703 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [1,0,0,0,1,0|2,0,0]=4 704 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [1,0,0,0,1,0|1,0,0]=3 705 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [1,0,0,0,1,0|2,0,0]=4 706 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [1,0,0,0,1,0|2,0,0]=4 707 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [1,0,0,0,1,0|2,0,0]=4 708 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [1,0,0,0,1,0|2,0,0]=4 709 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [1,0,0,0,1,0|0,0,0]=2 710 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [1,0,0,0,1,0|2,0,0]=4 711 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [1,0,0,0,1,0|2,0,0]=4 712 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [1,0,0,0,1,0|0,0,0]=2 713 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [1,0,0,0,1,0|1,0,0]=3 714 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [1,0,0,0,1,0|2,0,0]=4 715 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [1,0,0,0,1,0|2,0,0]=4 716 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [1,0,0,0,1,0|0,0,2]=4 717 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [1,0,0,0,1,0|0,0,2]=4 718 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [1,0,0,0,1,0|2,0,0]=4 719 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [1,0,0,0,1,0|2,0,0]=4 720 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [1,0,0,0,1,0|2,0,0]=4 721 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [1,0,0,0,1,0|1,0,1]=4 722 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [1,0,0,0,1,0|2,0,0]=4 723 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [1,0,0,0,1,0|2,0,0]=4 724 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [1,0,0,0,1,0|2,0,0]=4 725 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [1,0,0,0,1,0|2,0,0]=4 726 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [1,0,0,0,1,0|1,0,0]=3 727 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [1,0,0,0,1,0|2,0,0]=4 728 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [1,0,0,0,1,0|1,1,0]=4 729 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [1,0,0,0,1,0|2,0,0]=4 730 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [1,0,0,0,1,0|2,0,0]=4 731 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [1,0,0,0,1,0|2,0,0]=4 732 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [1,0,0,0,1,0|1,0,0]=3 733 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [1,0,0,0,1,0|2,0,0]=4 734 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [1,0,0,0,1,0|1,1,0]=4 735 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [1,0,0,0,1,0|2,0,0]=4 736 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [1,0,0,0,1,0|2,0,0]=4 737 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [1,0,0,0,1,0|1,1,0]=4 738 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [1,0,0,0,1,0|2,0,0]=4 739 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [1,0,0,0,1,0|2,0,0]=4 740 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [1,0,0,0,1,0|2,0,0]=4 741 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [1,0,0,0,1,0|2,0,0]=4 742 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [1,0,0,0,1,0|2,0,0]=4 743 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [1,0,0,0,1,0|2,0,0]=4 744 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [1,0,0,0,1,0|1,0,0]=3 745 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [1,0,0,0,1,0|1,0,1]=4 746 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [1,0,0,0,1,0|1,0,1]=4 747 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [1,0,0,0,1,0|2,0,0]=4 748 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [1,0,0,0,1,0|1,0,0]=3 749 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [1,0,0,0,1,0|1,0,0]=3 750 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [1,0,0,0,1,0|1,0,1]=4 751 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [1,0,0,0,1,0|1,0,1]=4 752 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [1,0,0,0,1,0|1,0,1]=4 753 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [1,0,0,0,1,0|2,0,0]=4 754 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [1,0,0,0,1,0|2,0,0]=4 755 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [1,0,0,0,1,0|1,0,0]=3 756 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [1,0,0,0,1,0|0,0,2]=4 757 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [1,0,0,0,1,0|1,0,1]=4 758 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [1,0,0,0,1,0|0,0,2]=4 759 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [1,0,0,0,1,0|0,1,1]=4 760 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [1,0,0,0,1,0|1,0,0]=3 761 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [1,0,0,0,1,0|1,0,0]=3 762 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [1,0,0,0,1,0|0,0,0]=2 763 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [1,0,0,0,1,0|0,1,0]=3 764 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [1,0,0,0,1,0|1,0,0]=3 765 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [1,0,0,0,1,0|1,0,0]=3 766 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [1,0,0,0,1,0|1,0,0]=3 767 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [1,0,0,0,1,0|0,0,0]=2 768 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [1,0,0,0,1,0|1,0,0]=3 769 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [1,0,0,0,1,0|1,0,0]=3 770 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [1,0,0,0,1,0|1,0,0]=3 771 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [1,0,0,0,1,0|0,0,0]=2 772 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [1,0,0,0,1,0|0,0,2]=4 773 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [1,0,0,0,1,0|0,0,2]=4 774 B8R0.12 C=C(C)C(C)(O)CC=O Amb27754858 [1,0,0,0,1,0|2,0,0]=4 775 B8R0.12 C=CCC(C)(C)C(=O)O Amb10603495 [1,0,0,0,1,0|2,0,0]=4 776 B8R0.12 C=CC[C@@](C)(N)C(=O)O Amb8389450 [1,0,0,0,1,0|2,0,0]=4 777 B8R0.12 C=CC[C@@](C)(O)C(=O)O Amb27412350 [1,0,0,0,1,0|1,0,0]=3 778 B8R0.12 C=CC[C@@](C)(O)C(C)=O Amb28053999 [1,0,0,0,1,0|2,0,0]=4 779 B8R0.12 C=CC[C@](C)(N)C(=O)O Amb8514992 [1,0,0,0,1,0|2,0,0]=4 780 B8R0.12 C=CC[C@](C)(O)C(=O)O Amb27958223 [1,0,0,0,1,0|1,0,0]=3 781 B8R0.12 CC(C)(CC=O)C(N)=O Amb28437049 [1,0,0,0,1,0|2,0,0]=4 782 B8R0.12 CC(C)(CCO)C(=O)O Amb24763728 [1,0,0,0,1,0|1,0,1]=4 783 B8R0.12 CC(C)(NC=O)C(=O)O Amb18281022 [1,0,0,0,1,0|2,0,0]=4 784 B8R0.12 CC(O)(CC#N)C(=O)O Amb27260344 [1,0,0,0,1,0|1,0,1]=4 785 B8R0.12 CC(O)(CCF)C(=O)O Amb33379277 [1,0,0,0,1,0|1,0,1]=4 786 B8R0.12 CCCC(C)(O)C(=O)O Amb18288835 [1,0,0,0,1,0|1,0,1]=4 787 B8R0.12 CNCC(C)(O)C(=O)O Amb27478763 [1,0,0,0,1,0|2,0,0]=4 788 B8R0.12 COCC(C)(O)C(=O)O Amb18992608 [1,0,0,0,1,0|2,0,0]=4 789 B8R0.12 C[C@@](N)(CCO)C(=O)O Amb28048736 [1,0,0,0,1,0|1,0,1]=4 790 B8R0.12 C[C@](O)(NC=O)C(=O)O Amb27628573 [1,0,0,0,1,0|1,0,0]=3 791 B8R0.37 CC(=O)C(C)(C)C(=O)O Amb18642784 [0,0,0,0,2,0|2,0,0]=4 792 B8R0.37 CC(=O)C(C)(O)C(=O)Cl Amb27227227 [0,0,0,0,2,0|2,0,0]=4 793 B8R0.37 CC(=O)C(C)(O)C(=O)O Amb18642870 [0,0,0,0,2,0|1,0,0]=3 794 B8R0.37 CC(C)(C(=O)O)C(=O)Cl Amb17593749 [0,0,0,0,2,0|2,0,0]=4 795 B8R0.37 CC(C)(C(=O)O)C(=O)O Amb2613653 [0,0,0,0,2,0|1,0,0]=3 796 B8R0.37 CC(C)(C(N)=O)C(=O)O Amb8386802 [0,0,0,0,2,0|2,0,0]=4 797 B8R0.37 CC(N)(C(=O)O)C(=O)O Amb28347069 [0,0,0,0,2,0|1,0,0]=3 798 B8R0.37 CC(N)(C(N)=O)C(=O)O Amb27593792 [0,0,0,0,2,0|2,0,0]=4 799 B8R0.37 CC(O)(C(N)=O)C(N)=O Amb28255865 [0,0,0,0,2,0|2,0,0]=4 800 B8R0.37 CC(O)C(C)(O)C(=O)O Amb18124401 [0,0,0,0,2,0|1,0,1]=4 801 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O Amb27974163 [0,0,0,0,2,0|1,0,1]=4 802 B8R0.37 O=C(O)C(Cl)(Cl)C(=O)O Amb17594338 [0,0,0,0,2,0|2,0,0]=4 803 B8R0.37 O=C(O)C(F)(F)C(=O)O Amb24088375 [0,0,0,0,2,0|2,0,0]=4 804 B8R0.37 O=C(O)C(O)(Br)C(=O)O Amb27634888 [0,0,0,0,2,0|1,0,0]=3 805 B8R0.37 O=C(O)C(O)(O)C(=O)O Amb22002022 [0,0,0,0,2,0|1,0,0]=3 806 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [1,0,0,0,0,1|1,0,0]=3 807 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [1,0,0,0,0,1|1,0,0]=3 808 B10R0.96 CC(=O)C\C(C)=N\CC(=O)O Amb25384127 [1,0,0,0,0,1|1,0,1]=4 809 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [1,0,0,0,0,1|2,0,0]=4 810 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [1,0,0,0,0,1|1,0,0]=3 811 B10R0.96 CC(CCC(=O)Cl)CC(=O)Cl Amb3940506 [1,0,0,0,0,1|2,0,0]=4 812 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [1,0,0,0,0,1|0,0,0]=2 813 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [1,0,0,0,0,1|2,0,0]=4 814 B10R0.96 CN(CCC(=O)O)CC(N)=O Amb8957129 [1,0,0,0,0,1|2,0,0]=4 815 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O Amb22746285 [1,0,0,0,0,1|2,0,0]=4 816 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Amb22348459 [1,0,0,0,0,1|2,0,0]=4 817 B10R0.96 NC(=O)NCC(O)CC(=O)O Amb28079675 [1,0,0,0,0,1|1,0,0]=3 818 B10R0.96 NC(CCC(=O)O)CC(=O)O Amb8631356 [1,0,0,0,0,1|1,0,0]=3 819 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Amb16232070 [1,0,0,0,0,1|1,0,0]=3 820 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O Amb22750585 [1,0,0,0,0,1|1,0,0]=3 821 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [1,0,0,0,0,1|0,0,0]=2 822 B10R0.96 O=C(O)CNC(=O)CC(=O)O Amb18800491 [1,0,0,0,0,1|0,0,2]=4 823 B10R0.105 CC(C)(CCC(=O)O)NC=O Amb18183323 [1,0,0,0,0,1|2,0,0]=4 824 B10R0.105 CSCC(C)(O)CCC(=O)O Amb33036227 [1,0,0,0,0,1|2,0,0]=4 825 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Amb18126156 [0,0,0,0,1,1|2,0,0]=4 826 B10R0.43 CC(=O)C(C)(C)SCC(=O)O Amb27990168 [0,0,0,0,1,1|2,0,0]=4 827 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Amb18645019 [0,0,0,0,1,1|2,0,0]=4 828 B10R0.43 CC(=O)NCC(C)(C)C(=O)O Amb33548160 [0,0,0,0,1,1|2,0,0]=4 829 B10R0.43 CC(=O)NCC(C)(O)C(=O)O Amb28044387 [0,0,0,0,1,1|1,0,0]=3 830 B10R0.43 CC(=O)OCC(C)(C)C(=O)O Amb27269198 [0,0,0,0,1,1|2,0,0]=4 831 B10R0.43 CC(=O)SCC(C)(C)C(=O)O Amb27818773 [0,0,0,0,1,1|2,0,0]=4 832 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Amb2721065 [0,0,0,0,1,1|1,0,0]=3 833 B10R0.43 CC(C)(CNC(N)=O)C(=O)O Amb27401824 [0,0,0,0,1,1|2,0,0]=4 834 B10R0.43 CC(C)(NCC(=O)O)C(=O)O Amb27000181 [0,0,0,0,1,1|1,0,0]=3 835 B10R0.43 CC(C)(NCC(=O)O)C(N)=O Amb18306310 [0,0,0,0,1,1|2,0,0]=4 836 B10R0.43 CC(C)(NCC(N)=O)C(=O)O Amb18306733 [0,0,0,0,1,1|2,0,0]=4 837 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Amb17501462 [0,0,0,0,1,1|1,0,0]=3 838 B10R0.43 CC(C)(SCC(N)=O)C(=O)O Amb17501450 [0,0,0,0,1,1|2,0,0]=4 839 B10R0.43 CC(C)=CCC(C)(O)C(=O)O Amb27864040 [0,0,0,0,1,1|2,0,0]=4 840 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb22801426 [0,0,0,0,1,1|1,0,0]=3 841 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb3940869 [0,0,0,0,1,1|1,0,0]=3 842 B10R0.43 CC(N)(\C=C\C(=O)O)C(=O)O Amb27401910 [0,0,0,0,1,1|1,0,1]=4 843 B10R0.43 CS(=O)NCC(C)(O)C(=O)O Amb27272530 [0,0,0,0,1,1|2,0,0]=4 844 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O Amb8629033 [0,0,0,0,1,1|1,0,0]=3 845 B10R0.43 C[C@](N)(CCC(=O)O)C(=O)O Amb8629032 [0,0,0,0,1,1|1,0,0]=3 846 B10R0.43 NC(=O)C(N)(O)CCC(=O)O Amb28080506 [0,0,0,0,1,1|2,0,0]=4 847 B10R0.43 NC(=O)C(O)(Cl)CCC(=O)O Amb27990215 [0,0,0,0,1,1|2,0,0]=4 848 B10R0.43 NC(N)(CCC(=O)O)C(=O)O Amb26076861 [0,0,0,0,1,1|2,0,0]=4 849 B10R0.43 O=C(O)CCC(F)(F)C(=O)O Amb22263070 [0,0,0,0,1,1|2,0,0]=4 850 B10R0.43 O=C(O)CCC(O)(O)C(=O)O Amb27271130 [0,0,0,0,1,1|1,0,0]=3 851 B12R0.388 CC(C)(SCC(=O)O)SCC(=O)O Amb4056709 [0,0,0,0,0,2|1,0,0]=3