0 B12R0.694 CC(C)CC(O)(CC(=O)O)C(=O)O Amb33346920 [0,0,0,0,0,0|2,0,1]=3 1 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb10070578 [0,0,0,0,0,0|0,0,0]=0 2 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb16232172 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb19958282 [0,0,0,0,0,0|0,0,0]=0 4 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb21947902 [0,0,0,0,0,0|0,0,0]=0 5 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22000691 [0,0,0,0,0,0|0,0,0]=0 6 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22167468 [0,0,0,0,0,0|0,0,0]=0 7 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22264824 [0,0,0,0,0,0|0,0,0]=0 8 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22264888 [0,0,0,0,0,0|0,0,0]=0 9 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb24079735 [0,0,0,0,0,0|0,0,0]=0 10 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb6335855 [0,0,0,0,0,0|0,0,0]=0 11 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb8513233 [0,0,0,0,0,0|0,0,0]=0 12 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb9825337 [0,0,0,0,0,0|0,0,0]=0 13 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)O Amb20246421 [0,0,0,0,0,0|0,0,1]=1 14 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)O Amb22735166 [0,0,0,0,0,0|0,0,2]=2 15 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] Amb10843778 [0,0,0,0,0,0|0,0,3]=3 16 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] Amb19959954 [0,0,0,0,0,0|0,0,3]=3 17 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] Amb20246447 [0,0,0,0,0,0|0,0,3]=3 18 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] Amb28995120 [0,0,0,0,0,0|0,0,3]=3 19 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] Amb8386721 [0,0,0,0,0,0|0,0,3]=3 20 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] Amb8516888 [0,0,0,0,0,0|0,0,3]=3 21 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] Amb8517097 [0,0,0,0,0,0|0,0,3]=3 22 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] Amb8517583 [0,0,0,0,0,0|0,0,3]=3 23 B11R0.32 C=C(C)C(CC(=O)O)CC(=O)O Amb32953577 [1,0,0,0,0,0|2,0,0]=3 24 B11R0.32 CC(=O)CC(NC(C)=O)C(=O)O Amb32679425 [1,0,0,0,0,0|3,0,0]=4 25 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O Amb3499381 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.32 CC(=O)NC(CC(=O)O)C(N)=O Amb21811914 [1,0,0,0,0,0|3,0,0]=4 27 B11R0.32 CC(=O)NC(CC(N)=O)C(=O)O Amb1118662 [1,0,0,0,0,0|3,0,0]=4 28 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Amb8628593 [1,0,0,0,0,0|2,0,0]=3 29 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(N)=O Amb19374681 [1,0,0,0,0,0|3,0,0]=4 30 B11R0.32 CC(=O)N[C@@H](CC(N)=O)C(=O)O Amb2755870 [1,0,0,0,0,0|3,0,0]=4 31 B11R0.32 CC(=O)N[C@H](CC(N)=O)C(=O)O Amb2732381 [1,0,0,0,0,0|3,0,0]=4 32 B11R0.32 CC(C)C(CC(=O)O)CC(=O)O Amb18647811 [1,0,0,0,0,0|2,0,1]=4 33 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O Amb33072394 [1,0,0,0,0,0|2,0,1]=4 34 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O Amb2222280 [1,0,0,0,0,0|2,0,0]=3 35 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O Amb6600046 [1,0,0,0,0,0|2,0,0]=3 36 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O Amb2611740 [1,0,0,0,0,0|0,0,0]=1 37 B11R0.32 O=C(O)\C=C(/CC(=O)O)C(=O)O Amb6487375 [1,0,0,0,0,0|0,0,2]=3 38 B11R0.32 O=C(O)\C=C(\CC(=O)O)C(=O)O Amb1808152 [1,0,0,0,0,0|0,0,2]=3 39 B11R0.181 CCCC(O)(CC(=O)O)C(=O)O Amb33346916 [1,0,0,0,0,0|1,0,1]=3 40 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O Amb445619 [1,0,0,0,0,0|2,0,1]=4 41 B13R0.627 CC(C)(C)CC(O)(CC(=O)O)C(=O)O Amb33346925 [0,1,0,0,0,0|2,0,1]=4 42 B13R0.904 CCC(C)CC(O)(CC(=O)O)C(=O)O Amb33346935 [0,1,0,0,0,0|2,0,1]=4 43 B13R0.1420 O=C([O-])CC(O)(C(=O)[O-])C(O)C(=O)[O-] Amb22235945 [0,1,0,0,0,0|0,0,3]=4 44 B13R0.1868 O=CC(CC(=O)[O-])(CC(=O)O)C(=O)[O-] Amb534283 [0,1,0,0,0,0|0,0,3]=4 45 B13R1.813 CC1CC1C(O)(CC(=O)O)C(=O)O Amb33346927 [0,0,0,1,0,0|2,0,1]=4 46 B13R1.2023 CC(=O)NC1(C(=O)O)CC1C(=O)O Amb27883450 [0,0,0,1,0,0|3,0,0]=4 47 B13R1.3475 CC1(C(=O)O)CC(=O)CC1C(=O)O Amb28422399 [0,0,0,1,0,0|2,0,0]=3 48 B13R1.3475 C[C@@]1(C(=O)O)OC(=O)C[C@@H]1C(=O)O Amb27974251 [0,0,0,1,0,0|3,0,0]=4 49 B13R1.3475 C[C@]1(C(=O)O)OC(=O)C[C@H]1C(=O)O Amb25361041 [0,0,0,1,0,0|3,0,0]=4 50 B13R1.3475 O=C1CC(O)(C(=O)O)C(C(=O)O)S1 Amb27781979 [0,0,0,1,0,0|0,1,0]=2 51 B13R1.3475 O=C1C[C@@](O)(C(=O)O)[C@@H](C(=O)O)O1 Amb25328555 [0,0,0,1,0,0|0,0,0]=1 52 B13R1.5889 O=C(O)CC1(C(=O)O)C=CC(=O)O1 Amb25899955 [0,0,0,1,0,0|3,0,0]=4 53 B13R1.5889 O=C(O)CC1(C(=O)O)CCC(=O)O1 Amb22899792 [0,0,0,1,0,0|3,0,0]=4 54 B13R1.5889 O=C(O)CC1(C(=O)O)CNC(=O)C1 Amb18129658 [0,0,0,1,0,0|2,0,0]=3 55 B13R1.5889 O=C(O)C[C@@]1(C(=O)O)CCC(=O)O1 Amb25966605 [0,0,0,1,0,0|3,0,0]=4 56 B11R0.427 CC(=O)NC(O)(C(=O)O)C(=O)O Amb26929642 [0,0,0,0,1,0|2,0,0]=3 57 B13R0.617 CC(C)CCC(O)(CC(=O)O)C(=O)O Amb33346931 [0,0,0,0,0,1|2,0,1]=4 58 B13R0.1419 O=C(O)CC(O)(CC(=O)O)CC(=O)O Amb33719572 [0,0,0,0,0,1|0,0,0]=1 59 B13R0.1419 O=C([O-])CC(O)(CC(=O)[O-])CC(=O)[O-] Amb3910271 [0,0,0,0,0,1|0,0,3]=4 60 B10R0.23 CC(=O)CC(NC=O)C(=O)O Amb26998851 [2,0,0,0,0,0|2,0,0]=4 61 B10R0.23 CCCC(CC(=O)O)C(=O)O Amb18645267 [2,0,0,0,0,0|1,0,1]=4 62 B10R0.23 COCC(CC(=O)O)C(=O)O Amb4007524 [2,0,0,0,0,0|2,0,0]=4 63 B10R0.23 CSCC(CC(=O)O)C(=O)O Amb32953699 [2,0,0,0,0,0|2,0,0]=4 64 B10R0.23 N=CN[C@@H](CC(=O)O)C(=O)O Amb27272462 [2,0,0,0,0,0|2,0,0]=4 65 B10R0.23 O=C(O)CC(CCF)C(=O)O Amb33196068 [2,0,0,0,0,0|1,0,1]=4 66 B10R0.23 O=CNC(CC(=O)O)C(=O)O Amb9813710 [2,0,0,0,0,0|1,0,0]=3 67 B10R0.23 O=CN[C@@H](CC(=O)O)C(=O)O Amb16232029 [2,0,0,0,0,0|1,0,0]=3 68 B10R0.23 O=CN[C@H](CC(=O)O)C(=O)O Amb22746431 [2,0,0,0,0,0|1,0,0]=3 69 B10R0.70 CCC(CC(=O)O)CC(=O)O Amb33172175 [2,0,0,0,0,0|1,0,1]=4 70 B10R0.70 O=C(O)CC(CF)CC(=O)O Amb33379251 [2,0,0,0,0,0|1,0,1]=4 71 B10R0.119 C=CC(N)(CC(=O)O)C(=O)O Amb26659495 [2,0,0,0,0,0|1,0,1]=4 72 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Amb22546424 [2,0,0,0,0,0|2,0,0]=4 73 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Amb26999762 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.119 CCC(C)(CC(=O)O)C(=O)O Amb17776967 [2,0,0,0,0,0|1,0,1]=4 75 B10R0.119 CCC(N)(CC(=O)O)C(=O)O Amb27673263 [2,0,0,0,0,0|1,0,1]=4 76 B10R0.119 N[C@@](CO)(CC(=O)O)C(=O)O Amb27001406 [2,0,0,0,0,0|1,0,0]=3 77 B10R0.119 N[C@](CO)(CC(=O)O)C(=O)O Amb26659195 [2,0,0,0,0,0|1,0,0]=3 78 B10R0.119 O=C(O)CC(Cl)(CO)C(=O)O Amb27271127 [2,0,0,0,0,0|1,0,0]=3 79 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Amb6608976 [2,0,0,0,0,0|1,0,1]=4 80 B10R0.165 CC(O)(CC(=O)O)CC(=O)O Amb5719671 [2,0,0,0,0,0|0,0,1]=3 81 B10R0.165 O=C(O)CC(Cl)(Cl)CC(=O)O Amb4014518 [2,0,0,0,0,0|2,0,0]=4 82 B10R0.165 O=C(O)CC(F)(F)CC(=O)O Amb1149070 [2,0,0,0,0,0|2,0,0]=4 83 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O Amb6364794 [2,0,0,0,0,0|1,0,1]=4 84 B12R0.43 C=C(C(=O)O)C(CC(=O)O)C(=O)O Amb540579 [1,1,0,0,0,0|0,0,1]=3 85 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] Amb19960003 [1,1,0,0,0,0|0,0,1]=3 86 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] Amb22349265 [1,1,0,0,0,0|0,0,1]=3 87 B12R0.151 C=C(C)C(CC(=O)O)CC(=O)OC Amb33199202 [1,1,0,0,0,0|2,0,0]=4 88 B12R0.151 C=CC(=O)NC(CC(=O)O)C(=O)O Amb32671276 [1,1,0,0,0,0|2,0,0]=4 89 B12R0.151 C=CC(=O)N[C@H](CC(=O)O)C(=O)O Amb32671441 [1,1,0,0,0,0|2,0,0]=4 90 B12R0.151 COC(=O)CC(NC(C)=O)C(=O)O Amb32661518 [1,1,0,0,0,0|2,0,0]=4 91 B12R0.151 COC(=O)C[C@H](NC(C)=O)C(=O)O Amb24271277 [1,1,0,0,0,0|2,0,0]=4 92 B12R0.151 NCC(=O)NC(CC(=O)O)C(=O)O Amb6366549 [1,1,0,0,0,0|2,0,0]=4 93 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O Amb22746148 [1,1,0,0,0,0|2,0,0]=4 94 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(C)=O Amb22800827 [1,1,0,0,0,0|2,0,0]=4 95 B12R0.356 CCCCC(O)(CC(=O)O)C(=O)O Amb32687542 [1,1,0,0,0,0|1,0,1]=4 96 B12R0.566 CCC(C)C(O)(CC(=O)O)C(=O)O Amb33346933 [1,1,0,0,0,0|1,0,1]=4 97 B12R0.271 CCCC(O)(CC(=O)O)CC(=O)O Amb26304190 [1,1,0,0,0,0|1,0,1]=4 98 B12R0.869 CC(=O)NC(CO)(C(=O)O)C(=O)O Amb17594985 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.850 C=C1CC(C(=O)O)C(C(=O)O)C1 Amb8395539 [1,0,0,1,0,0|2,0,0]=4 100 B12R1.850 C=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1 Amb27776829 [1,0,0,1,0,0|2,0,0]=4 101 B12R1.850 O=C(O)[C@@H]1CC(O)C[C@H]1C(=O)O Amb28193731 [1,0,0,1,0,0|1,0,1]=4 102 B12R1.850 O=C(O)[C@@H]1CS(=O)C[C@H]1C(=O)O Amb27789840 [1,0,0,1,0,0|2,0,0]=4 103 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)C1 Amb8395543 [1,0,0,1,0,0|1,0,0]=3 104 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)O1 Amb17678843 [1,0,0,1,0,0|0,0,0]=2 105 B12R1.850 O=C1CC(C(=O)O)[C@H](C(=O)O)C1 Amb27793186 [1,0,0,1,0,0|1,0,0]=3 106 B12R1.850 O=C1CC(C(=O)O)[C@H](C(=O)O)N1 Amb28343140 [1,0,0,1,0,0|1,0,0]=3 107 B12R1.850 O=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1 Amb25168932 [1,0,0,1,0,0|1,0,0]=3 108 B12R1.850 O=C1NC(C(=O)O)C(C(=O)O)O1 Amb28076956 [1,0,0,1,0,0|1,0,0]=3 109 B12R1.850 O=C1N[C@@H](C(=O)O)[C@H](C(=O)O)O1 Amb27478042 [1,0,0,1,0,0|1,0,0]=3 110 B12R1.1383 O=C(O)C1[C@H](C(=O)O)[C@@H]1C(=O)O Amb4153174 [1,0,0,1,0,0|0,0,0]=2 111 B12R1.857 CC1(CC(=O)O)CC(=O)NC1=O Amb27400346 [1,0,0,1,0,0|2,0,0]=4 112 B12R1.857 CC1(CC(=O)O)CC(=O)OC1=O Amb27407027 [1,0,0,1,0,0|1,0,0]=3 113 B12R1.857 O=C(O)CC1(O)CC(=O)NC1=O Amb27484151 [1,0,0,1,0,0|1,0,0]=3 114 B12R1.3586 O=C(O)CC(O)(C(=O)O)C1CC1 Amb33346918 [1,0,0,1,0,0|1,0,1]=4 115 B12R1.1380 O=C(O)C1CC1(C(=O)O)C(=O)O Amb1199910 [0,0,0,1,1,0|1,0,0]=3 116 B14R1.15927 C[C@]1(C(=O)O)CCC(=O)C[C@H]1C(=O)O Amb27222269 [0,0,0,1,0,1|2,0,0]=4 117 B14R1.4308 CC1CC(CC(=O)O)(C(=O)O)OC1=O Amb27958321 [0,1,0,1,0,0|1,0,1]=4 118 B14R1.19445 COC(=O)[C@H]1OC(=O)C[C@]1(O)C(=O)O Amb27230500 [0,1,0,1,0,0|0,0,0]=2 119 B14R1.27828 O=C1CC(O)(C(=O)O)CC(=O)O[PbH2]O1 Amb8487747 [0,1,0,1,0,0|0,0,0]=2 120 B14R1.4491 O=C(O)CC1(CC(=O)O)OCOC1=O Amb17595418 [0,1,0,1,0,0|0,0,0]=2 121 B14R1.9534 C[C@@]1(CC(=O)O)C(=O)CC[C@@H]1C(=O)O Amb27438487 [0,1,0,1,0,0|2,0,0]=4 122 B14R1.13141 O=C(O)C[C@]1(C(=O)O)OC(=O)C[C@H]1O Amb27626847 [0,1,0,1,0,0|2,0,0]=4 123 B10R0.162 C=C(C)C(CC(=O)O)C(=O)O Amb18644989 [1,0,0,0,1,0|2,0,0]=4 124 B10R0.162 CC(=O)NC(C(=O)O)C(=O)O Amb27471757 [1,0,0,0,1,0|2,0,0]=4 125 B10R0.162 O=C(O)CC(C(=O)O)C(=O)O Amb4035259 [1,0,0,0,1,0|0,0,0]=2 126 B10R0.162 O=C(O)CC(C(=O)O)[N+](=O)[O-] Amb26083808 [1,0,0,0,1,0|1,0,1]=4 127 B10R0.162 O=C(O)CC(C(=O)O)[SH](=O)=O Amb27990267 [1,0,0,0,1,0|1,0,1]=4 128 B10R0.162 O=C(O)C[C@@H](C(=O)O)[N+](=O)[O-] Amb24762931 [1,0,0,0,1,0|1,0,1]=4 129 B10R0.162 O=C(O)C\C(C(=O)O)=P(=O)\O Amb27974262 [1,0,0,0,1,0|1,0,1]=4 130 B10R0.149 CNCC(O)(C(=O)O)C(=O)O Amb4001567 [1,0,0,0,1,0|2,0,0]=4 131 B10R0.164 CC(C(=O)O)(C(=O)O)C(=O)O Amb20247675 [0,0,0,0,2,0|1,0,0]=3 132 B10R0.164 O=C(O)C(F)(C(=O)O)C(=O)O Amb27860482 [0,0,0,0,2,0|1,0,0]=3 133 B12R0.41 N=C(O)CN(CC(=O)O)CC(=O)O Amb22015173 [1,0,0,0,0,1|2,0,0]=4 134 B12R0.41 NC(=O)CN(CC(=O)O)CC(=O)O Amb6364881 [1,0,0,0,0,1|2,0,0]=4 135 B12R0.41 O=C(O)CC(CC(=O)O)CC(=O)O Amb22486810 [1,0,0,0,0,1|0,0,0]=2 136 B12R0.41 O=C(O)CN(CC(=O)O)CC(=O)O Amb2720518 [1,0,0,0,0,1|1,0,0]=3 137 B12R0.138 CC(=O)N(CCC(=O)O)CC(=O)O Amb18611636 [1,0,0,0,0,1|2,0,0]=4 138 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O Amb533294 [1,0,0,0,0,1|2,0,0]=4 139 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O Amb2719700 [1,0,0,0,0,1|2,0,0]=4 140 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O Amb6295801 [1,0,0,0,0,1|2,0,0]=4 141 B12R0.138 CC(=O)SCC(CC(=O)O)C(=O)O Amb20668815 [1,0,0,0,0,1|1,0,0]=3 142 B12R0.138 N=C(N)SCC(CC(=O)O)C(=O)O Amb13881376 [1,0,0,0,0,1|2,0,0]=4 143 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O Amb1152860 [1,0,0,0,0,1|2,0,0]=4 144 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O Amb16232094 [1,0,0,0,0,1|2,0,0]=4 145 B12R0.138 O=C(O)CCC(CC(=O)O)C(=O)O Amb4006191 [1,0,0,0,0,1|0,0,0]=2 146 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O Amb4034647 [1,0,0,0,0,1|0,0,0]=2 147 B14R0.3411 CC(=O)C(C)(CCC(=O)O)CCC(=O)O Amb2736041 [0,0,0,0,0,2|2,0,0]=4