0 B9R0.55 C=C(C)CC\C=C\C(=O)O Amb27253611 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.55 C=C(C)CONCC(=O)O Amb27969663 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.55 C=C(C)CO\C=C\C(=O)O Amb18643826 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.55 C=C(Cl)CNCCC(=O)O Amb9326413 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.55 CC(=O)C\C=C\C=C(C)C Amb24646499 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.55 CC(=O)C\C=N\NC(N)=O Amb27618068 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.55 CC(=O)N\C=C/CC(N)=O Amb27214099 [0,0,0,0,0,0|3,0,0]=3 18 B9R0.55 CC(=O)N\C=C/NC(C)=O Amb27424993 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.55 CC(=O)N\C=C\NC(C)=O Amb27468649 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.55 CC(=O)\C=C/C=C/C(C)=O Amb25877456 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.55 CC(=O)\C=C\C=C\C(=O)O Amb27205327 [0,0,0,0,0,0|1,0,2]=3 25 B9R0.55 CC(C)=C\C=C\CC(=O)O Amb27473342 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.55 CC(O)CSCCC(=O)O Amb18792572 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.55 CC(O)\C=C\CCC(=O)O Amb24453133 [0,0,0,0,0,0|1,0,3]=4 28 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.55 C\C(O)=C\C=C\C=C(/C)O Amb26446577 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.55 N=C(N)C\C=C\CC(=N)N Amb24739301 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [0,0,0,0,0,0|1,0,2]=3 33 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.55 NC(=O)CNOCC(N)=O Amb27194913 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [0,0,0,0,0,0|3,0,0]=3 36 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.55 NC(=O)NC\C=C\C(=O)O Amb27817537 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.55 NC(=O)N\C=C\NC(N)=O Amb25174416 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.55 NC(=O)N\N=C\CC(=O)O Amb28366218 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.55 NC(=O)\C=C\C=C\C(=O)O Amb27251699 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.55 O=C(Cl)C\C=C\CC(=O)Cl Amb27641016 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [0,0,0,0,0,0|0,0,3]=3 46 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [0,0,0,0,0,0|1,0,2]=3 47 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [0,0,0,0,0,0|0,0,2]=2 48 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [0,0,0,0,0,0|0,0,2]=2 49 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [0,0,0,0,0,0|0,0,2]=2 50 B9R0.55 O=C(O)CCCCC(O)O Amb28143854 [0,0,0,0,0,0|0,0,4]=4 51 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [0,0,0,0,0,0|1,0,1]=2 52 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [0,0,0,0,0,0|2,0,0]=2 53 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [0,0,0,0,0,0|2,0,0]=2 54 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [0,0,0,0,0,0|0,0,0]=0 55 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [0,0,0,0,0,0|2,0,0]=2 57 B9R0.55 O=C(O)\C=C/C=C\C(=O)O Amb8515202 [0,0,0,0,0,0|0,0,2]=2 58 B9R0.55 O=C(O)\C=C\C=C\C(=O)O Amb31285477 [0,0,0,0,0,0|0,0,2]=2 59 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [0,0,0,0,0,0|0,0,2]=2 60 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [0,0,0,0,0,0|1,0,1]=2 61 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [0,0,0,0,0,0|0,0,4]=4 62 B8R0.7 C=CC=C=CCC(=O)O Amb28120587 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.7 C=CCCCCC(=O)O Amb6299578 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.7 C=CCCOCC(=O)O Amb7793843 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.7 C=CCCSCC(=O)O Amb27810806 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.7 C=CCC\C=C\C(=O)O Amb25756053 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.7 C=CCNCCC(=O)O Amb33527032 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.7 C=CCNCCC(=O)O Amb7755724 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.7 C=CC\C=C\CC(=O)O Amb18642408 [1,0,0,0,0,0|1,0,0]=2 70 B8R0.7 C=C\C=C\C=C\C(=O)O Amb28346293 [1,0,0,0,0,0|1,0,2]=4 71 B8R0.7 C=C\C=C\CCC(=O)O Amb10605294 [1,0,0,0,0,0|1,0,2]=4 72 B8R0.7 CC(=O)CC\C=C\C=O Amb26875051 [1,0,0,0,0,0|1,0,2]=4 73 B8R0.7 CC(=O)CN\C=C\C=O Amb18642499 [1,0,0,0,0,0|2,0,1]=4 74 B8R0.7 CC(=O)C\C=C\CCCl Amb25729220 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.7 CCC\C=C/CC(C)=O Amb27974039 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.7 CCC\C=C\CC(=O)O Amb18642602 [1,0,0,0,0,0|1,0,1]=3 77 B8R0.7 CCC\C=C\CC(C)=O Amb33429740 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.7 CN(C)C\C=C/CC=O Amb27782459 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.7 CSC\C=C\CC(=O)O Amb28072070 [1,0,0,0,0,0|2,0,0]=3 80 B8R0.7 C\C=C\C=C\CC(=O)O Amb27755824 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.7 C\C=C\C=C\CC(C)=O Amb27248237 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.7 C\C=C\C=C\CC(N)=O Amb27251723 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.7 N#CC\C=C\CC(=O)O Amb27762977 [1,0,0,0,0,0|1,0,1]=3 84 B8R0.7 O=C(O)CCCCCO Amb8515991 [1,0,0,0,0,0|0,0,3]=4 85 B8R0.7 O=C(O)CCCCNO Amb28410171 [1,0,0,0,0,0|1,0,2]=4 86 B8R0.7 O=C(O)CCNCCO Amb1110010 [1,0,0,0,0,0|1,0,2]=4 87 B8R0.7 O=C(O)CCOCCO Amb6680916 [1,0,0,0,0,0|1,0,2]=4 88 B8R0.7 O=C(O)CNCCCO Amb9325805 [1,0,0,0,0,0|1,0,2]=4 89 B8R0.7 O=C(O)COCCCO Amb28288633 [1,0,0,0,0,0|1,0,2]=4 90 B8R0.7 O=C(O)C\C=C/CCO Amb28410474 [1,0,0,0,0,0|0,0,1]=2 91 B8R0.7 O=C(O)C\C=C\CCO Amb27221056 [1,0,0,0,0,0|0,0,1]=2 92 B8R0.7 O=C(O)C\C=C\CCS Amb27421360 [1,0,0,0,0,0|0,1,1]=3 93 B8R0.7 O=C(O)\C=C/SCCO Amb27430273 [1,0,0,0,0,0|1,0,2]=4 94 B8R0.7 O=C(O)\C=C\C=C\CO Amb27779174 [1,0,0,0,0,0|0,0,3]=4 95 B8R0.7 O=C(O)\C=C\NCCO Amb28056766 [1,0,0,0,0,0|1,0,2]=4 96 B8R0.7 O=C(O)\C=C\SCCO Amb28281149 [1,0,0,0,0,0|1,0,2]=4 97 B8R0.7 O=CCCCCC(=O)O Amb18642763 [1,0,0,0,0,0|0,0,2]=3 98 B8R0.7 O=CC\C=C\CC(=O)O Amb25911988 [1,0,0,0,0,0|0,0,0]=1 99 B8R0.7 O=CNCCCC(=O)O Amb18305404 [1,0,0,0,0,0|1,0,2]=4 100 B8R0.7 O=CNC\C=C\C(=O)O Amb28045342 [1,0,0,0,0,0|1,0,2]=4 101 B8R0.7 O=COCCCC(=O)O Amb27217713 [1,0,0,0,0,0|1,0,2]=4 102 B8R0.7 O=C\C=C\C=C\C(=O)O Amb27420164 [1,0,0,0,0,0|0,0,2]=3 103 B8R0.7 O=C\C=C\CCC(=O)O Amb26920160 [1,0,0,0,0,0|0,0,2]=3 104 B10R0.15 O=C(O)CCCCP(=O)(O)O Amb3371884 [0,1,0,0,0,0|1,0,2]=4 105 B10R0.15 O=C(O)CCCCS(=O)(=O)O Amb32663857 [0,1,0,0,0,0|1,0,2]=4 106 B10R0.55 CCC(=O)CCCCC(=O)O Amb6305227 [0,1,0,0,0,0|1,0,2]=4 107 B10R0.55 CNC(=O)CCCCC(=O)O Amb9390746 [0,1,0,0,0,0|1,0,2]=4 108 B10R0.55 COC(=O)CCCCC(=O)O Amb3939891 [0,1,0,0,0,0|0,0,2]=3 109 B10R0.55 COC(=O)CCCCC(C)=O Amb21858863 [0,1,0,0,0,0|1,0,2]=4 110 B10R0.55 COC(=O)CSCCC(=O)O Amb9005247 [0,1,0,0,0,0|1,0,1]=3 111 B10R0.55 COC(=O)C\C=C/NC(C)=O Amb27882897 [0,1,0,0,0,0|2,0,0]=3 112 B10R0.55 COC(=O)C\C=C\OC(C)=O Amb17778579 [0,1,0,0,0,0|2,0,0]=3 113 B10R0.55 COC(=O)NCCCC(=O)O Amb6668735 [0,1,0,0,0,0|1,0,2]=4 114 B10R0.55 COC(=O)\C=C/C=C\C(C)=O Amb27672212 [0,1,0,0,0,0|1,0,2]=4 115 B10R0.55 COC(=O)\C=C\C=C/C(C)=O Amb27672213 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.55 COC(=O)\C=C\C=C\C(=O)O Amb17593891 [0,1,0,0,0,0|0,0,2]=3 117 B10R0.55 COC(=O)\C=C\C=C\C(C)=O Amb27673586 [0,1,0,0,0,0|1,0,2]=4 118 B10R0.96 C=C(Br)CNC(=O)CC(=O)O Amb28387379 [0,1,0,0,0,0|3,0,0]=4 119 B10R0.96 C=C(C)C\C=C(\C)CC(=O)O Amb25386397 [0,1,0,0,0,0|2,0,0]=3 120 B10R0.96 C=C(\C=C\C(=O)O)CC(=O)O Amb26659891 [0,1,0,0,0,0|0,0,1]=2 121 B10R0.96 CC(=C\C(=O)O)\C=C\C(N)=O Amb27666863 [0,1,0,0,0,0|1,0,2]=4 122 B10R0.96 CC(=C\C(N)=O)\C=C\C(=O)O Amb27195845 [0,1,0,0,0,0|1,0,2]=4 123 B10R0.96 CC(=O)CC(=O)NCC(=O)O Amb19011373 [0,1,0,0,0,0|2,0,0]=3 124 B10R0.96 CC(=O)CC(=O)NCC(N)=O Amb18179799 [0,1,0,0,0,0|3,0,0]=4 125 B10R0.96 CC(=O)CC(=O)\C=C/C(=O)O Amb28080130 [0,1,0,0,0,0|1,0,1]=3 126 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [0,1,0,0,0,0|1,0,2]=4 127 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [0,1,0,0,0,0|1,0,2]=4 128 B10R0.96 CC(=O)C\C(C)=C\OC(C)=O Amb28080264 [0,1,0,0,0,0|3,0,0]=4 129 B10R0.96 CC(=O)C\C(C)=N\CC(=O)O Amb25384127 [0,1,0,0,0,0|2,0,0]=3 130 B10R0.96 CC(=O)C\C(C)=N\CC(=O)[O-] Amb28080129 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.96 CC(=O)C\C(C)=N\CC(N)=O Amb27672287 [0,1,0,0,0,0|3,0,0]=4 132 B10R0.96 CC(=O)C\C=C(\C)OC(C)=O Amb27673576 [0,1,0,0,0,0|3,0,0]=4 133 B10R0.96 CC(=O)\C=C(O)\C=C\C(=O)O Amb28320353 [0,1,0,0,0,0|1,0,2]=4 134 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [0,1,0,0,0,0|0,0,2]=3 135 B10R0.96 CC(O)CNC(=O)CC(=O)O Amb18183448 [0,1,0,0,0,0|2,0,1]=4 136 B10R0.96 CN(CCC(=O)O)CC(N)=O Amb8957129 [0,1,0,0,0,0|2,0,1]=4 137 B10R0.96 C[C@@H](O)CNC(=O)CC(=O)O Amb28387032 [0,1,0,0,0,0|2,0,1]=4 138 B10R0.96 C\C(=C/CC(C)C)CC(=O)O Amb27990212 [0,1,0,0,0,0|2,0,1]=4 139 B10R0.96 NC(=O)CC(=O)NCC(=O)O Amb27271867 [0,1,0,0,0,0|2,0,0]=3 140 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O Amb22746285 [0,1,0,0,0,0|1,0,2]=4 141 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Amb22348459 [0,1,0,0,0,0|1,0,2]=4 142 B10R0.96 NC(=O)CNC(=O)CC(=O)O Amb18315747 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.96 NC(=O)CNC(=O)CC(N)=O Amb27272087 [0,1,0,0,0,0|3,0,0]=4 144 B10R0.96 NC(=O)NC(=O)NCC(=O)O Amb27444706 [0,1,0,0,0,0|3,0,0]=4 145 B10R0.96 NC(=O)NC(=O)\C=C/C(=O)O Amb3739854 [0,1,0,0,0,0|2,0,1]=4 146 B10R0.96 NC(=O)NC(=O)\C=C\C(=O)O Amb6741344 [0,1,0,0,0,0|2,0,1]=4 147 B10R0.96 NC(CCC(=O)O)CC(=O)O Amb8631356 [0,1,0,0,0,0|0,0,2]=3 148 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Amb16232070 [0,1,0,0,0,0|0,0,2]=3 149 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O Amb22750585 [0,1,0,0,0,0|0,0,2]=3 150 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [0,1,0,0,0,0|0,0,2]=3 151 B10R0.96 O=C(O)CNC(=O)CC(=O)O Amb18800491 [0,1,0,0,0,0|1,0,0]=2 152 B10R0.96 O=C(O)\C=C\C(Cl)=C/C(=O)O Amb18127800 [0,1,0,0,0,0|0,0,2]=3 153 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [0,1,0,0,0,0|1,0,2]=4 154 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [0,1,0,0,0,0|1,0,2]=4 155 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [0,1,0,0,0,0|1,0,2]=4 156 B10R0.98 CC(=O)CCNC(C)C(=O)O Amb32675829 [0,1,0,0,0,0|2,0,1]=4 157 B10R0.98 CC(=O)\C(C)=C\C=C\C(=O)O Amb28122398 [0,1,0,0,0,0|1,0,2]=4 158 B10R0.98 CC(C)=C\C=C\C(C)C(=O)O Amb26493314 [0,1,0,0,0,0|2,0,1]=4 159 B10R0.98 CC(NCCC(=O)O)C(=O)O Amb18098310 [0,1,0,0,0,0|1,0,1]=3 160 B10R0.98 CC(N\C=C\C(=O)O)C(N)=O Amb27880245 [0,1,0,0,0,0|2,0,1]=4 161 B10R0.98 CC(SCCC(=O)O)C(=O)O Amb17501234 [0,1,0,0,0,0|1,0,1]=3 162 B10R0.98 CC(SCCC(=O)O)C(N)=O Amb9202514 [0,1,0,0,0,0|2,0,1]=4 163 B10R0.98 CC(S\C=C\C(=O)O)C(=O)O Amb18647961 [0,1,0,0,0,0|1,0,1]=3 164 B10R0.98 C\C(=C\C=C\C(N)=O)C(=O)O Amb28142361 [0,1,0,0,0,0|1,0,2]=4 165 B10R0.98 NC(=O)N\N=C\C(O)C(=O)O Amb27617440 [0,1,0,0,0,0|3,0,0]=4 166 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb22740152 [0,1,0,0,0,0|0,0,2]=3 167 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb6334822 [0,1,0,0,0,0|0,0,2]=3 168 B10R0.98 NC(CSCC(=O)O)C(=O)O Amb6740297 [0,1,0,0,0,0|1,0,1]=3 169 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O Amb6600090 [0,1,0,0,0,0|0,0,2]=3 170 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb16232500 [0,1,0,0,0,0|1,0,1]=3 171 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb6336477 [0,1,0,0,0,0|1,0,1]=3 172 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Amb8629031 [0,1,0,0,0,0|0,0,2]=3 173 B10R0.98 N[C@H](C\C=C\C(=O)O)C(=O)O Amb25383155 [0,1,0,0,0,0|0,0,2]=3 174 B10R0.98 O=C(O)CCCC(O)C(=O)O Amb21963897 [0,1,0,0,0,0|0,0,2]=3 175 B10R0.98 O=C(O)CONC(=O)C(=O)O Amb16185780 [0,1,0,0,0,0|2,0,1]=4 176 B10R0.98 O=C(O)CSCC(=O)C(=O)O Amb33069681 [0,1,0,0,0,0|1,0,2]=4 177 B10R0.98 O=C(O)C\C=C/C(=O)C(=O)O Amb27269966 [0,1,0,0,0,0|0,0,1]=2 178 B10R0.98 O=C(O)\C=C/C=C(/Cl)C(=O)O Amb27166062 [0,1,0,0,0,0|0,0,2]=3 179 B10R0.98 O=C(O)\C=C\C=C(/O)C(=O)O Amb28325659 [0,1,0,0,0,0|0,0,2]=3 180 B10R1.54 C=C1C=C\C(=C\C(=O)O)O1 Amb27461481 [0,0,0,1,0,0|1,0,2]=4 181 B10R1.54 CC(=O)CC1=NNC(=O)O1 Amb28436521 [0,0,0,1,0,0|3,0,0]=4 182 B10R1.54 CC(=O)Cc1ccc(Br)o1 Amb26003095 [0,0,0,1,0,0|2,0,1]=4 183 B10R1.54 CC(=O)Cc1ccc(C)o1 Amb17477800 [0,0,0,1,0,0|2,0,1]=4 184 B10R1.54 CC(=O)Cc1ccc(Cl)o1 Amb33258287 [0,0,0,1,0,0|2,0,1]=4 185 B10R1.54 CC(=O)Cc1cnc(C)o1 Amb28241211 [0,0,0,1,0,0|3,0,0]=4 186 B10R1.54 CC(=O)Cc1cnc(Cl)o1 Amb27846962 [0,0,0,1,0,0|3,0,0]=4 187 B10R1.54 CC(=O)NC1=CCC(=O)N1 Amb27424936 [0,0,0,1,0,0|3,0,0]=4 188 B10R1.54 CC1CN=C(CC(=O)O)O1 Amb27643082 [0,0,0,1,0,0|2,0,1]=4 189 B10R1.54 Cc1cc(CC(=O)O)co1 Amb32713187 [0,0,0,1,0,0|3,0,0]=4 190 B10R1.54 Cc1cc(CC(=O)O)cs1 Amb26844423 [0,0,0,1,0,0|3,0,0]=4 191 B10R1.54 Cc1ccc(CC(=O)Cl)o1 Amb27186019 [0,0,0,1,0,0|2,0,1]=4 192 B10R1.54 Cc1ccc(CC(=O)O)o1 Amb18960367 [0,0,0,1,0,0|1,0,1]=3 193 B10R1.54 Cc1ccc(CC(=O)O)s1 Amb2234463 [0,0,0,1,0,0|1,1,1]=4 194 B10R1.54 Cc1ccc(CC(N)=O)o1 Amb28457670 [0,0,0,1,0,0|2,0,1]=4 195 B10R1.54 Cc1cnc(CC(=O)O)o1 Amb18831795 [0,0,0,1,0,0|2,0,1]=4 196 B10R1.54 Cc1nc(CC(=O)O)co1 Amb6316134 [0,0,0,1,0,0|3,0,0]=4 197 B10R1.54 Cc1nc(CC(=O)O)cs1 Amb1105673 [0,0,0,1,0,0|3,0,0]=4 198 B10R1.54 Cc1ncc(CC(=O)O)o1 Amb18202766 [0,0,0,1,0,0|2,0,0]=3 199 B10R1.54 Cc1ncc(CC(=O)O)s1 Amb33542460 [0,0,0,1,0,0|2,1,0]=4 200 B10R1.54 Cc1nnc(CC(=O)O)o1 Amb6739989 [0,0,0,1,0,0|3,0,0]=4 201 B10R1.54 NC(=O)CC1=CCC(=O)N1 Amb28457699 [0,0,0,1,0,0|2,0,0]=3 202 B10R1.54 NC(=O)CC1=NC(=O)CS1 Amb2713804 [0,0,0,1,0,0|3,0,0]=4 203 B10R1.54 Nc1nc(CC(=O)O)cs1 Amb535456 [0,0,0,1,0,0|3,0,0]=4 204 B10R1.54 Nc1nc(CC(=O)O)cs1 Amb8390750 [0,0,0,1,0,0|3,0,0]=4 205 B10R1.54 Nc1ncc(CC(=O)O)o1 Amb18202644 [0,0,0,1,0,0|2,0,0]=3 206 B10R1.54 Nc1ncc(CC(=O)O)s1 Amb5751223 [0,0,0,1,0,0|2,1,0]=4 207 B10R1.54 Nc1nnc(CC(=O)O)o1 Amb18862475 [0,0,0,1,0,0|3,0,0]=4 208 B10R1.54 O=C(O)CC1=CC(=O)CC1 Amb27813115 [0,0,0,1,0,0|1,0,1]=3 209 B10R1.54 O=C(O)CC1=CC(=O)NN1 Amb18202650 [0,0,0,1,0,0|3,0,0]=4 210 B10R1.54 O=C(O)CC1=CC(=O)NO1 Amb18831605 [0,0,0,1,0,0|3,0,0]=4 211 B10R1.54 O=C(O)CC1=CC(=O)OC1 Amb27615054 [0,0,0,1,0,0|2,0,1]=4 212 B10R1.54 O=C(O)CC1=CC(=O)ON1 Amb28348890 [0,0,0,1,0,0|3,0,0]=4 213 B10R1.54 O=C(O)CC1=CSC(=O)N1 Amb18534615 [0,0,0,1,0,0|2,0,0]=3 214 B10R1.54 O=C(O)CC1=CSC(=O)S1 Amb27955216 [0,0,0,1,0,0|1,1,0]=3 215 B10R1.54 O=C(O)CC1=NC(=O)CS1 Amb9774271 [0,0,0,1,0,0|2,0,0]=3 216 B10R1.54 O=C(O)CC1=NNC(=O)C1 Amb8826416 [0,0,0,1,0,0|3,0,0]=4 217 B10R1.54 O=C(O)CC1=NNC(=O)N1 Amb18282699 [0,0,0,1,0,0|3,0,0]=4 218 B10R1.54 O=C(O)CC1=NOC(=O)C1 Amb18202495 [0,0,0,1,0,0|3,0,0]=4 219 B10R1.54 O=C(O)CC1CC(=O)CN1 Amb27860610 [0,0,0,1,0,0|2,0,1]=4 220 B10R1.54 O=C(O)CC1CCC(=O)C1 Amb18643816 [0,0,0,1,0,0|1,0,2]=4 221 B10R1.54 O=C(O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,0,0|1,0,2]=4 222 B10R1.54 O=C(O)CC1CCC(=O)O1 Amb6316138 [0,0,0,1,0,0|0,0,2]=3 223 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 Amb28314258 [0,0,0,1,0,0|0,0,2]=3 224 B10R1.54 O=C(O)C[C@@H]1CCC(=O)C1 Amb24480441 [0,0,0,1,0,0|1,0,2]=4 225 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,0,0|1,0,2]=4 226 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 Amb22898751 [0,0,0,1,0,0|1,0,2]=4 227 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,0,0|1,0,2]=4 228 B10R1.54 O=C(O)C[C@H]1CCC(=O)O1 Amb26025159 [0,0,0,1,0,0|0,0,2]=3 229 B10R1.54 O=C(O)Cc1cc(O)on1 Amb23504423 [0,0,0,1,0,0|3,0,0]=4 230 B10R1.54 O=C(O)Cc1ccc(Br)o1 Amb26028263 [0,0,0,1,0,0|1,0,1]=3 231 B10R1.54 O=C(O)Cc1ccc(Br)s1 Amb2237320 [0,0,0,1,0,0|1,1,1]=4 232 B10R1.54 O=C(O)Cc1ccc(Cl)o1 Amb27868697 [0,0,0,1,0,0|1,0,1]=3 233 B10R1.54 O=C(O)Cc1ccc(Cl)s1 Amb2235520 [0,0,0,1,0,0|1,1,1]=4 234 B10R1.54 O=C(O)Cc1ccc(F)o1 Amb25842555 [0,0,0,1,0,0|1,0,1]=3 235 B10R1.54 O=C(O)Cc1ccc(F)s1 Amb24269131 [0,0,0,1,0,0|1,1,1]=4 236 B10R1.54 O=C(O)Cc1ccc(I)o1 Amb24622567 [0,0,0,1,0,0|1,0,1]=3 237 B10R1.54 O=C(O)Cc1cnc(Br)s1 Amb18161036 [0,0,0,1,0,0|2,1,0]=4 238 B10R1.54 O=C(O)Cc1cnc(Cl)o1 Amb28199010 [0,0,0,1,0,0|2,0,0]=3 239 B10R1.54 O=C(O)Cc1cnc(Cl)s1 Amb26987732 [0,0,0,1,0,0|2,1,0]=4 240 B10R1.54 O=C(O)Cc1cnc(O)s1 Amb27757499 [0,0,0,1,0,0|1,1,0]=3 241 B10R1.54 O=C(O)Cc1coc(Br)c1 Amb28122049 [0,0,0,1,0,0|3,0,0]=4 242 B10R1.54 O=C(O)Cc1coc(Cl)n1 Amb27229258 [0,0,0,1,0,0|3,0,0]=4 243 B10R1.54 O=C(O)Cc1csc(Br)c1 Amb25312095 [0,0,0,1,0,0|3,0,0]=4 244 B10R1.54 O=C(O)Cc1csc(Br)n1 Amb17405994 [0,0,0,1,0,0|3,0,0]=4 245 B10R1.54 O=C(O)Cc1csc(Cl)c1 Amb5719931 [0,0,0,1,0,0|3,0,0]=4 246 B10R1.54 O=C(O)Cc1csc(Cl)n1 Amb23439991 [0,0,0,1,0,0|3,0,0]=4 247 B10R1.54 O=C(O)Cc1csc(S)n1 Amb2797874 [0,0,0,1,0,0|2,1,0]=4 248 B10R1.54 O=C(O)Cc1nc(O)cs1 Amb35710164 [0,0,0,1,0,0|2,0,1]=4 249 B10R1.54 O=C(O)Cc1nnc(S)o1 Amb18224397 [0,0,0,1,0,0|2,1,0]=4 250 B10R1.54 O=C(O)Cn1cnc(O)n1 Amb22895292 [0,0,0,1,0,0|3,0,0]=4 251 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 Amb18643475 [0,0,0,1,0,0|0,0,2]=3 252 B10R1.54 O=C(O)\C=C1\CCC(=O)O1 Amb27850176 [0,0,0,1,0,0|0,0,2]=3 253 B10R1.82 O=C(O)CCC1CC(=O)C1 Amb25770415 [0,0,0,1,0,0|1,0,2]=4 254 B10R1.113 CC(=O)C1C=CCC(=O)C1 Amb26476229 [0,0,0,1,0,0|2,0,0]=3 255 B10R1.113 CC(=O)C1CCCC(=O)O1 Amb24662042 [0,0,0,1,0,0|1,0,2]=4 256 B10R1.113 CN1CC=CC(C(=O)O)C1 Amb28344213 [0,0,0,1,0,0|3,0,0]=4 257 B10R1.113 O=C(O)c1cccc(O)c1 Amb1208301 [0,0,0,1,0,0|1,0,2]=4 258 B10R1.113 O=C(O)c1cccc(O)n1 Amb535788 [0,0,0,1,0,0|1,0,2]=4 259 B10R1.113 O=C(O)c1ccnc(O)c1 Amb842469 [0,0,0,1,0,0|2,0,1]=4 260 B10R1.113 O=C(O)c1ccnc(O)n1 Amb21927951 [0,0,0,1,0,0|2,0,1]=4 261 B10R1.113 O=C1C=C(C(=O)O)C=CN1 Amb18124536 [0,0,0,1,0,0|2,0,1]=4 262 B10R1.113 O=C1C=CC=C(C(=O)O)N1 Amb19514344 [0,0,0,1,0,0|1,0,2]=4 263 B10R1.113 O=C1C=CC=C(C(=O)O)O1 Amb33533266 [0,0,0,1,0,0|0,0,2]=3 264 B10R1.113 O=C1C=CCC(C(=O)O)C1 Amb18643491 [0,0,0,1,0,0|1,0,2]=4 265 B10R1.113 O=C1C=CC[C@@H](C(=O)O)N1 Amb26347336 [0,0,0,1,0,0|1,0,2]=4 266 B10R1.113 O=C1CC(C(=O)O)=CC=N1 Amb2783836 [0,0,0,1,0,0|2,0,1]=4 267 B10R1.113 O=C1CC(C(=O)O)N=CN1 Amb24099645 [0,0,0,1,0,0|3,0,0]=4 268 B10R1.113 O=C1CC=CC(C(=O)O)N1 Amb27785978 [0,0,0,1,0,0|1,0,0]=2 269 B10R1.113 O=C1CCC=C(C(=O)O)C1 Amb2699959 [0,0,0,1,0,0|1,0,2]=4 270 B10R1.113 O=C1CCCC(C(=O)O)C1 Amb6305244 [0,0,0,1,0,0|1,0,2]=4 271 B10R1.113 O=C1CCCC(C(=O)O)N1 Amb2697230 [0,0,0,1,0,0|1,0,2]=4 272 B10R1.113 O=C1CCCC(C(=O)O)O1 Amb27969173 [0,0,0,1,0,0|0,0,2]=3 273 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 Amb28050152 [0,0,0,1,0,0|1,0,2]=4 274 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 Amb10576327 [0,0,0,1,0,0|1,0,2]=4 275 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 Amb8631220 [0,0,0,1,0,0|1,0,2]=4 276 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889088 [0,0,0,1,0,0|2,0,1]=4 277 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889089 [0,0,0,1,0,0|2,0,1]=4 278 B10R1.113 O=C1CCN[C@@H](C(=O)O)C1 Amb27977165 [0,0,0,1,0,0|2,0,1]=4 279 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb13889084 [0,0,0,1,0,0|2,0,1]=4 280 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb2699956 [0,0,0,1,0,0|2,0,1]=4 281 B10R1.113 O=C1CCOC(C(=O)O)C1 Amb22496784 [0,0,0,1,0,0|2,0,1]=4 282 B10R1.113 O=C1CNCC(C(=O)O)C1 Amb27244770 [0,0,0,1,0,0|2,0,1]=4 283 B10R1.113 O=C1CNC[C@H](C(=O)O)N1 Amb27398104 [0,0,0,1,0,0|2,0,1]=4 284 B10R1.113 O=C1COCC(C(=O)O)N1 Amb18862478 [0,0,0,1,0,0|2,0,1]=4 285 B10R1.113 O=C1COCC(C(=O)O)O1 Amb27209316 [0,0,0,1,0,0|1,0,1]=3 286 B10R1.113 O=C1COC[C@@H](C(=O)O)N1 Amb27164013 [0,0,0,1,0,0|2,0,1]=4 287 B10R1.113 O=C1CSCC(C(=O)O)N1 Amb2693036 [0,0,0,1,0,0|2,0,1]=4 288 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 Amb26516534 [0,0,0,1,0,0|2,0,1]=4 289 B10R1.113 O=C1CSC[C@H](C(=O)O)N1 Amb27667984 [0,0,0,1,0,0|2,0,1]=4 290 B10R1.113 O=C1N=CC=C(C(=O)O)N1 Amb19957719 [0,0,0,1,0,0|2,0,1]=4 291 B10R1.361 CC(=O)C1C=CC1C(C)=O Amb28202221 [0,0,0,1,0,0|2,0,0]=3 292 B10R1.361 CC(=O)[C@@H]1C=C[C@H]1C(C)=O Amb25376023 [0,0,0,1,0,0|2,0,0]=3 293 B10R1.361 CC(=O)[C@H]1C=C[C@H]1C(C)=O Amb25994081 [0,0,0,1,0,0|2,0,0]=3 294 B10R1.361 CC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28252580 [0,0,0,1,0,0|1,0,2]=4 295 B10R1.361 NC(=O)C1CCC1C(=O)O Amb26027341 [0,0,0,1,0,0|1,0,2]=4 296 B10R1.361 NC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb27216173 [0,0,0,1,0,0|1,0,2]=4 297 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(=O)O Amb24366239 [0,0,0,1,0,0|1,0,2]=4 298 B10R1.361 O=C(O)C1CCC1C(=O)Cl Amb24753887 [0,0,0,1,0,0|1,0,2]=4 299 B10R1.361 O=C(O)C1CCC1C(=O)O Amb19373431 [0,0,0,1,0,0|0,0,2]=3 300 B10R1.361 O=C(O)[C@@H]1C=C[C@H]1C(=O)O Amb27469606 [0,0,0,1,0,0|0,0,0]=1 301 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Amb2609028 [0,0,0,1,0,0|0,0,2]=3 302 B10R1.361 O=C(O)[C@@H]1CN[C@H]1C(=O)O Amb25956288 [0,0,0,1,0,0|1,0,1]=3 303 B10R1.361 O=C(O)[C@H]1C=C[C@H]1C(=O)O Amb27831905 [0,0,0,1,0,0|0,0,0]=1 304 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O Amb25267014 [0,0,0,1,0,0|0,0,2]=3 305 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O Amb16230761 [0,0,0,1,0,0|0,0,2]=3 306 B10R1.361 O=C(O)[C@H]1CN[C@@H]1C(=O)O Amb25225066 [0,0,0,1,0,0|1,0,1]=3 307 B10R1.361 O=C(O)[C@H]1NC[C@H]1C(=O)O Amb26967619 [0,0,0,1,0,0|1,0,1]=3 308 B10R1.368 O=C(O)CC1OC1C(=O)O Amb28146420 [0,0,0,1,0,0|1,0,1]=3 309 B10R1.368 O=C(O)C[C@@H]1O[C@@H]1C(=O)O Amb27254162 [0,0,0,1,0,0|1,0,1]=3 310 B10R1.368 O=C(O)\C=C1\CC1C(=O)O Amb27216810 [0,0,0,1,0,0|0,0,2]=3 311 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [0,0,0,0,1,0|2,0,1]=4 312 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [0,0,0,0,1,0|3,0,0]=4 313 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [0,0,0,0,1,0|2,0,0]=3 314 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [0,0,0,0,1,0|2,0,0]=3 315 B8R0.28 C=C(C)\C=C\CC(C)=O Amb24744667 [0,0,0,0,1,0|3,0,0]=4 316 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [0,0,0,0,1,0|2,0,1]=4 317 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,1,0|1,0,1]=3 318 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,1,0|2,0,1]=4 319 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,1,0|2,0,1]=4 320 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [0,0,0,0,1,0|2,0,0]=3 321 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [0,0,0,0,1,0|2,0,1]=4 322 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [0,0,0,0,1,0|3,0,0]=4 323 B8R0.28 CC(=O)C\C=C\C(C)O Amb26528351 [0,0,0,0,1,0|2,0,1]=4 324 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [0,0,0,0,1,0|2,0,1]=4 325 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [0,0,0,0,1,0|3,0,0]=4 326 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [0,0,0,0,1,0|2,0,1]=4 327 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [0,0,0,0,1,0|3,0,0]=4 328 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,0,0,0,1,0|2,0,1]=4 329 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [0,0,0,0,1,0|2,0,0]=3 330 B8R0.28 CC(=O)\C=C/C[N+](=O)[O-] Amb28322797 [0,0,0,0,1,0|2,0,1]=4 331 B8R0.28 CC(=O)\C=C/OC(C)=O Amb28364680 [0,0,0,0,1,0|3,0,0]=4 332 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,0,0,0,1,0|1,0,0]=2 333 B8R0.28 CC(=O)\C=C\C[N+](=O)[O-] Amb27444805 [0,0,0,0,1,0|2,0,1]=4 334 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [0,0,0,0,1,0|2,0,1]=4 335 B8R0.28 CC(C)=C\C=C\C(=O)O Amb18642414 [0,0,0,0,1,0|2,0,1]=4 336 B8R0.28 CC(C)C\C=C\C(=O)O Amb8392407 [0,0,0,0,1,0|2,0,1]=4 337 B8R0.28 CC(C)\C=C\CC(=O)O Amb17844074 [0,0,0,0,1,0|2,0,1]=4 338 B8R0.28 CC(N)C\C=C\C(=O)O Amb27863954 [0,0,0,0,1,0|2,0,1]=4 339 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [0,0,0,0,1,0|1,0,2]=4 340 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [0,0,0,0,1,0|2,0,1]=4 341 B8R0.28 CC(O)COCC(=O)O Amb27968624 [0,0,0,0,1,0|2,0,1]=4 342 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [0,0,0,0,1,0|2,0,1]=4 343 B8R0.28 CN(C)C\C=C/C(=O)O Amb26347338 [0,0,0,0,1,0|3,0,0]=4 344 B8R0.28 CN(C)C\C=C\C(=O)O Amb15695416 [0,0,0,0,1,0|3,0,0]=4 345 B8R0.28 CN(C)C\C=C\C(=O)O Amb33716600 [0,0,0,0,1,0|3,0,0]=4 346 B8R0.28 CN(C)C\C=C\C(=O)O Amb8395946 [0,0,0,0,1,0|3,0,0]=4 347 B8R0.28 C[C@H](N)C\C=C\C(=O)O Amb27784845 [0,0,0,0,1,0|2,0,1]=4 348 B8R0.28 C[C@H](N)\C=C\CC(=O)O Amb28044026 [0,0,0,0,1,0|2,0,1]=4 349 B8R0.28 C[C@H](O)C\C=C\C(=O)O Amb27812394 [0,0,0,0,1,0|1,0,1]=3 350 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [0,0,0,0,1,0|3,0,0]=4 351 B8R0.28 N=C(N)S\C=C/C(=O)O Amb28314144 [0,0,0,0,1,0|3,0,0]=4 352 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [0,0,0,0,1,0|1,0,1]=3 353 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [0,0,0,0,1,0|3,0,0]=4 354 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [0,0,0,0,1,0|2,0,0]=3 355 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [0,0,0,0,1,0|3,0,0]=4 356 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,1,0|2,0,0]=3 357 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [0,0,0,0,1,0|3,0,0]=4 358 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [0,0,0,0,1,0|2,0,1]=4 359 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [0,0,0,0,1,0|3,0,0]=4 360 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [0,0,0,0,1,0|2,0,0]=3 361 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [0,0,0,0,1,0|2,0,0]=3 362 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,1,0|3,0,0]=4 363 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [0,0,0,0,1,0|2,0,1]=4 364 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [0,0,0,0,1,0|1,1,1]=4 365 B8R0.28 NC(=S)S\C=C/C(=O)O Amb28325316 [0,0,0,0,1,0|2,1,0]=4 366 B8R0.28 NC(=S)S\C=C\C(=O)O Amb10552410 [0,0,0,0,1,0|2,1,0]=4 367 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [0,0,0,0,1,0|2,0,1]=4 368 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,0,0,0,1,0|3,0,0]=4 369 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [0,0,0,0,1,0|0,0,2]=3 370 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,0,0,1,0|0,0,1]=2 371 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [0,0,0,0,1,0|1,0,2]=4 372 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [0,0,0,0,1,0|1,0,0]=2 373 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [0,0,0,0,1,0|1,0,0]=2 374 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [0,0,0,0,1,0|1,0,0]=2 375 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,0,0,0,1,0|0,0,0]=1 376 B8R0.28 O=C(O)\C=C\C=C(Cl)Cl Amb27478030 [0,0,0,0,1,0|2,0,1]=4 377 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,0,0,0,1,0|0,0,0]=1 378 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [0,0,0,0,1,0|1,0,1]=3 379 B10R0.97 CC(=O)CCCCCC(=O)O Amb3939939 [0,0,0,0,0,1|1,0,2]=4 380 B10R0.97 CC(=O)C\C=C/CC=C(C)C Amb27672672 [0,0,0,0,0,1|3,0,0]=4 381 B10R0.97 CC(=O)C\C=C\CC=C(C)C Amb27672619 [0,0,0,0,0,1|3,0,0]=4 382 B10R0.97 CC(=O)NCCCCC(=O)O Amb22330473 [0,0,0,0,0,1|1,0,2]=4 383 B10R0.97 CC(=O)NCCOCC(=O)O Amb24271178 [0,0,0,0,0,1|2,0,1]=4 384 B10R0.97 CC(=O)NCSCCC(=O)O Amb3941448 [0,0,0,0,0,1|2,0,1]=4 385 B10R0.97 CC(=O)N\C=C\C=C\C(=O)O Amb27983773 [0,0,0,0,0,1|1,0,2]=4 386 B10R0.97 CC(=O)N\C=N\C=C\C(=O)O Amb27659308 [0,0,0,0,0,1|2,0,1]=4 387 B10R0.97 CC(=O)SCC#CCC(=O)O Amb27650559 [0,0,0,0,0,1|1,0,2]=4 388 B10R0.97 NC(=O)CON\C=C\C(=O)O Amb28386729 [0,0,0,0,0,1|2,0,1]=4 389 B10R0.97 NC(=O)NCCCCC(=O)O Amb1154252 [0,0,0,0,0,1|1,0,2]=4 390 B10R0.97 NC(=O)N\N=C\C=C\C(=O)O Amb27657845 [0,0,0,0,0,1|2,0,1]=4 391 B10R0.97 O=C(O)CCCCCC(=O)O Amb2720869 [0,0,0,0,0,1|0,0,2]=3 392 B10R0.97 O=C(O)CCCSCC(=O)O Amb17501146 [0,0,0,0,0,1|0,0,2]=3 393 B10R0.97 O=C(O)CCNCCC(=O)O Amb2694954 [0,0,0,0,0,1|0,0,2]=3 394 B10R0.97 O=C(O)CCOCCC(=O)O Amb24057717 [0,0,0,0,0,1|0,0,2]=3 395 B10R0.97 O=C(O)CCSCCC(=O)O Amb4138554 [0,0,0,0,0,1|0,0,2]=3 396 B10R0.97 O=C(O)CSCSCC(=O)O Amb1144944 [0,0,0,0,0,1|1,0,1]=3 397 B10R0.97 O=C(O)\C=C\C=C\CC(=O)O Amb27990006 [0,0,0,0,0,1|0,0,1]=2 398 B7R0.1 CCC\C=C\CC=O Amb32954538 [2,0,0,0,0,0|1,0,1]=4 399 B7R0.1 O=CCCCCC=O Amb17593185 [2,0,0,0,0,0|0,0,2]=4 400 B7R0.1 O=CCSSCC=O Amb27169089 [2,0,0,0,0,0|2,0,0]=4 401 B7R0.1 O=CC\C=C\C=C\Br Amb27222551 [2,0,0,0,0,0|1,0,1]=4 402 B7R0.1 O=CC\C=C\CC=O Amb26402388 [2,0,0,0,0,0|0,0,0]=2 403 B7R0.1 O=C\C=C/C=C/C=O Amb17593128 [2,0,0,0,0,0|0,0,2]=4 404 B7R0.1 O=C\C=C\C=C\C=O Amb25209344 [2,0,0,0,0,0|0,0,2]=4 405 B7R0.1 O=C\C=C\CCC=O Amb18124241 [2,0,0,0,0,0|0,0,2]=4 406 B7R0.1 OCC\C=C\CCO Amb17614949 [2,0,0,0,0,0|0,0,2]=4 407 B7R0.1 O\C=C\C=C\CCO Amb27605420 [2,0,0,0,0,0|0,0,2]=4 408 B7R0.4 C=C(Br)C\C=C\CO Amb27481048 [2,0,0,0,0,0|2,0,0]=4 409 B7R0.4 C=C(C)C\C=C\C=O Amb18640955 [2,0,0,0,0,0|2,0,0]=4 410 B7R0.4 C=C(C)C\C=C\CO Amb27181043 [2,0,0,0,0,0|2,0,0]=4 411 B7R0.4 C=C=CSCC(=O)O Amb27812092 [2,0,0,0,0,0|1,0,1]=4 412 B7R0.4 C=CCCCC(=O)O Amb3941675 [2,0,0,0,0,0|1,0,1]=4 413 B7R0.4 C=CCNCC(=O)O Amb7766404 [2,0,0,0,0,0|2,0,0]=4 414 B7R0.4 C=CCNCC(=O)O Amb8631497 [2,0,0,0,0,0|2,0,0]=4 415 B7R0.4 C=CCOCC(=O)O Amb9208694 [2,0,0,0,0,0|2,0,0]=4 416 B7R0.4 C=CCSCC(=O)O Amb33526723 [2,0,0,0,0,0|2,0,0]=4 417 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [2,0,0,0,0,0|0,0,1]=3 418 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [2,0,0,0,0,0|1,0,0]=3 419 B7R0.4 CC(=O)\C=C\CCO Amb26479998 [2,0,0,0,0,0|1,0,1]=4 420 B7R0.4 CC(O)C\C=C\CO Amb27432058 [2,0,0,0,0,0|1,0,1]=4 421 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [2,0,0,0,0,0|1,0,1]=4 422 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [2,0,0,0,0,0|0,0,1]=3 423 B7R0.4 CC\C=C/CC(C)=O Amb27974504 [2,0,0,0,0,0|1,0,1]=4 424 B7R0.4 CC\C=C\CC(=O)Cl Amb27228151 [2,0,0,0,0,0|1,0,1]=4 425 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [2,0,0,0,0,0|0,0,1]=3 426 B7R0.4 CC\C=C\CC(C)=O Amb25953857 [2,0,0,0,0,0|1,0,1]=4 427 B7R0.4 CC\C=C\C[PH](=O)O Amb8391288 [2,0,0,0,0,0|1,0,1]=4 428 B7R0.4 CNC\C=C\C(=O)O Amb25368293 [2,0,0,0,0,0|2,0,0]=4 429 B7R0.4 COC\C=C\C(=O)O Amb33986212 [2,0,0,0,0,0|2,0,0]=4 430 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [2,0,0,0,0,0|1,0,1]=4 431 B7R0.4 C[C@H](O)C\C=C\CO Amb27945050 [2,0,0,0,0,0|1,0,1]=4 432 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [2,0,0,0,0,0|1,0,1]=4 433 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [2,0,0,0,0,0|1,0,1]=4 434 B7R0.4 NCC\C=C/C(=O)O Amb27201417 [2,0,0,0,0,0|1,0,1]=4 435 B7R0.4 O=C(O)CCCCO Amb9214971 [2,0,0,0,0,0|0,0,2]=4 436 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|1,0,1]=4 437 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [2,0,0,0,0,0|1,0,1]=4 438 B7R0.4 O=C(O)CNCCO Amb9325653 [2,0,0,0,0,0|1,0,1]=4 439 B7R0.4 O=C(O)COCCO Amb6680914 [2,0,0,0,0,0|1,0,1]=4 440 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [2,0,0,0,0,0|0,1,0]=3 441 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [2,0,0,0,0,0|0,0,0]=2 442 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [2,0,0,0,0,0|0,1,0]=3 443 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [2,0,0,0,0,0|1,0,1]=4 444 B7R0.4 O=C(O)\C=C\C=C\Cl Amb28189602 [2,0,0,0,0,0|1,0,1]=4 445 B7R0.4 O=C(O)\C=C\CCBr Amb25702661 [2,0,0,0,0,0|1,0,1]=4 446 B7R0.4 O=C(O)\C=C\CCF Amb33196445 [2,0,0,0,0,0|1,0,1]=4 447 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|0,0,1]=3 448 B7R0.4 O=CNCCC(=O)O Amb18290434 [2,0,0,0,0,0|1,0,1]=4 449 B7R0.4 O=CNOCC(=O)O Amb27477273 [2,0,0,0,0,0|2,0,0]=4 450 B7R0.4 O=C\C=C\CS(=O)F Amb27866107 [2,0,0,0,0,0|2,0,0]=4 451 B9R0.1 CC(=O)O\C=C/[C@H](C)C=O Amb28049875 [1,1,0,0,0,0|2,0,0]=4 452 B9R0.1 CC(=O)O\C=C\[C@H](C)C=O Amb27432554 [1,1,0,0,0,0|2,0,0]=4 453 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [1,1,0,0,0,0|0,0,2]=4 454 B9R0.1 CSC(C)\C=C/CC(=O)O Amb28121047 [1,1,0,0,0,0|2,0,0]=4 455 B9R0.1 CSC(C)\C=C\CC(=O)O Amb18645413 [1,1,0,0,0,0|2,0,0]=4 456 B9R0.1 O=C\C(Cl)=C\C=C\C(=O)O Amb28458190 [1,1,0,0,0,0|0,0,2]=4 457 B9R0.2 C=CCC=C=CCC(=O)O Amb27882289 [1,1,0,0,0,0|1,0,0]=3 458 B9R0.2 C=CCC\C=C\CC(=O)O Amb18643551 [1,1,0,0,0,0|1,0,0]=3 459 B9R0.2 C=CC\C=C\CCC(=O)O Amb18643540 [1,1,0,0,0,0|1,0,0]=3 460 B9R0.2 CCCC=C=CCC(=O)O Amb27814505 [1,1,0,0,0,0|1,0,1]=4 461 B9R0.2 CCCC\C=C\CC(=O)O Amb6297257 [1,1,0,0,0,0|1,0,1]=4 462 B9R0.2 CCC\C=C/CCC(=O)O Amb26566880 [1,1,0,0,0,0|1,0,1]=4 463 B9R0.2 CCC\C=C\CCC(=O)O Amb25378821 [1,1,0,0,0,0|1,0,1]=4 464 B9R0.2 CO\C=C\C=C\CC(=O)O Amb27874074 [1,1,0,0,0,0|0,0,1]=3 465 B9R0.2 C\C=C\C=C\CCC(=O)O Amb18643576 [1,1,0,0,0,0|1,0,1]=4 466 B9R0.2 O=CCCCCCC(=O)O Amb26548890 [1,1,0,0,0,0|0,0,2]=4 467 B9R0.2 O=CNCCSCC(=O)O Amb28399802 [1,1,0,0,0,0|1,0,1]=4 468 B9R0.2 O=COC\C=C\CC(=O)O Amb27619648 [1,1,0,0,0,0|0,0,0]=2 469 B9R0.4 C=CCNC(=O)CC(=O)O Amb17399877 [1,1,0,0,0,0|2,0,0]=4 470 B9R0.4 CC(=O)CC(=O)\C=C\C=O Amb26592201 [1,1,0,0,0,0|1,0,1]=4 471 B9R0.4 CC(CCC=O)CC(=O)O Amb28251065 [1,1,0,0,0,0|0,0,2]=4 472 B9R0.4 CC(\C=C\C=O)=C/C(=O)O Amb27663875 [1,1,0,0,0,0|0,0,2]=4 473 B9R0.4 CCC\C=C(\C)CC(=O)O Amb25947471 [1,1,0,0,0,0|1,0,1]=4 474 B9R0.4 CSC\C=C(\C)CC(=O)O Amb24726319 [1,1,0,0,0,0|2,0,0]=4 475 B9R0.4 C[C@@H](CCC=O)CC(=O)O Amb27614920 [1,1,0,0,0,0|0,0,2]=4 476 B9R0.46 CCC\C=C\CC(=O)OC Amb27452086 [1,1,0,0,0,0|1,0,1]=4 477 B9R0.46 COC(=O)CCCCC=O Amb16233585 [1,1,0,0,0,0|0,0,2]=4 478 B9R0.46 COC(=O)C\C=C\CCO Amb28292442 [1,1,0,0,0,0|0,0,1]=3 479 B9R0.46 COC(=O)\C=C\C=C\C=O Amb18643494 [1,1,0,0,0,0|0,0,2]=4 480 B9R0.47 CC(\C=C\CCO)C(N)=O Amb28314158 [1,1,0,0,0,0|1,0,1]=4 481 B9R0.47 CCC\C=C\C(C)C(=O)O Amb33449140 [1,1,0,0,0,0|1,0,1]=4 482 B9R0.47 CCC\C=C\C(O)C(=O)O Amb32668856 [1,1,0,0,0,0|1,0,1]=4 483 B9R0.47 CCC\C=C\[C@@H](N)C(=O)O Amb27230868 [1,1,0,0,0,0|1,0,1]=4 484 B9R0.47 C\C=C\C=C\[C@@H](C)C(=O)O Amb27494045 [1,1,0,0,0,0|1,0,1]=4 485 B9R0.47 N[C@@H](CCCC=O)C(=O)O Amb2695588 [1,1,0,0,0,0|0,0,2]=4 486 B9R0.47 N[C@H](CCCC=O)C(=O)O Amb27272621 [1,1,0,0,0,0|0,0,2]=4 487 B9R0.47 N[C@H](\C=C\CCO)C(=O)O Amb24603441 [1,1,0,0,0,0|0,0,1]=3 488 B9R0.47 O=C\C=C/C=C(\O)C(=O)O Amb27615135 [1,1,0,0,0,0|0,0,2]=4 489 B9R0.47 O=C\C=C\C=C(/O)C(=O)O Amb18643785 [1,1,0,0,0,0|0,0,2]=4 490 B9R0.48 CC(=C\C=O)\C=C\C(=O)O Amb27210491 [1,1,0,0,0,0|0,0,2]=4 491 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [1,1,0,0,0,0|0,0,2]=4 492 B9R0.48 CC(\C=C\C(=O)O)=C/C=O Amb27215348 [1,1,0,0,0,0|0,0,2]=4 493 B9R0.48 NC(\C=C/C(=O)O)=C\C=O Amb27450259 [1,1,0,0,0,0|0,0,2]=4 494 B9R0.48 O=CCC(=O)CCC(=O)O Amb18644074 [1,1,0,0,0,0|0,0,1]=3 495 B9R0.48 O=CNC(=O)\C=C/C(=O)O Amb28313728 [1,1,0,0,0,0|1,0,1]=4 496 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,1,0,0,1,0|0,0,1]=3 497 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [0,1,0,0,1,0|1,0,1]=4 498 B9R0.7 CC(=C=CC(=O)O)C(=O)O Amb17593578 [0,1,0,0,1,0|0,0,2]=4 499 B9R0.7 CC(=O)C(=O)NCC(=O)O Amb17593639 [0,1,0,0,1,0|2,0,0]=4 500 B9R0.7 CC(=O)C(=O)OCC(=O)O Amb28126708 [0,1,0,0,1,0|2,0,0]=4 501 B9R0.7 CC(=O)C(=O)\C=C\C(=O)O Amb27803733 [0,1,0,0,1,0|1,0,1]=4 502 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,1,0,0,1,0|1,0,1]=4 503 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,1,0,0,1,0|1,0,1]=4 504 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,1,0,0,1,0|1,0,1]=4 505 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,1,0,0,1,0|1,0,1]=4 506 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,1,0,0,1,0|1,0,1]=4 507 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,1,0,0,1,0|1,0,1]=4 508 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,1,0,0,1,0|1,0,1]=4 509 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,1,0,0,1,0|1,0,1]=4 510 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [0,1,0,0,1,0|2,0,0]=4 511 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,1,0,0,1,0|2,0,0]=4 512 B9R0.7 CC(=O)C\C=C(/C)C(C)=O Amb27264520 [0,1,0,0,1,0|2,0,0]=4 513 B9R0.7 CC(=O)O\C=C(\F)C(=O)O Amb27236545 [0,1,0,0,1,0|2,0,0]=4 514 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,1,0,0,1,0|1,0,1]=4 515 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,1,0,0,1,0|0,0,1]=3 516 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,1,0,0,1,0|1,0,0]=3 517 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,1,0,0,1,0|1,0,0]=3 518 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [0,1,0,0,1,0|2,0,0]=4 519 B9R0.7 CC(O)C(C)\C=C\C(=O)O Amb27759324 [0,1,0,0,1,0|1,0,1]=4 520 B9R0.7 CC(O)\C=C\C(C)C(=O)O Amb28246267 [0,1,0,0,1,0|1,0,1]=4 521 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,1,0,0,1,0|1,0,0]=3 522 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,1,0,0,1,0|0,0,1]=3 523 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,1,0,0,1,0|1,0,0]=3 524 B9R0.7 C[C@@H](O)[C@@H](O)\C=C\C(=O)O Amb28067737 [0,1,0,0,1,0|1,0,1]=4 525 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,1,0,0,1,0|0,0,1]=3 526 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,1,0,0,1,0|1,0,0]=3 527 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,1,0,0,1,0|1,0,0]=3 528 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [0,1,0,0,1,0|2,0,0]=4 529 B9R0.7 C[C@H](O)[C@@H](C)\C=C\C(=O)O Amb28239463 [0,1,0,0,1,0|1,0,1]=4 530 B9R0.7 C[C@H](O)\C=C\[C@@H](C)C(=O)O Amb27617100 [0,1,0,0,1,0|1,0,1]=4 531 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,1,0,0,1,0|0,0,0]=2 532 B9R0.7 C\C(=C/C[C@@H](C)O)C(=O)O Amb27254118 [0,1,0,0,1,0|1,0,1]=4 533 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,1,0,0,1,0|0,0,0]=2 534 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,1,0,0,1,0|1,0,0]=3 535 B9R0.7 NC(=O)C(=O)NCC(=O)O Amb28050058 [0,1,0,0,1,0|2,0,0]=4 536 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [0,1,0,0,1,0|1,0,1]=4 537 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [0,1,0,0,1,0|1,0,1]=4 538 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,1,0,0,1,0|1,0,1]=4 539 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,1,0,0,1,0|1,0,1]=4 540 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,1,0,0,1,0|1,0,1]=4 541 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,1,0,0,1,0|1,0,1]=4 542 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,1,0,0,1,0|1,0,1]=4 543 B9R0.7 NC(=O)CNC(=O)C(=O)O Amb9303805 [0,1,0,0,1,0|2,0,0]=4 544 B9R0.7 NC(=O)N\C=C(/F)C(=O)O Amb17614482 [0,1,0,0,1,0|2,0,0]=4 545 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [0,1,0,0,1,0|1,0,1]=4 546 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [0,1,0,0,1,0|1,0,1]=4 547 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,1,0,0,1,0|1,0,1]=4 548 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,1,0,0,1,0|0,0,1]=3 549 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,1,0,0,1,0|0,0,1]=3 550 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [0,1,0,0,1,0|0,0,2]=4 551 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,1,0,0,1,0|1,0,1]=4 552 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,1,0,0,1,0|0,0,1]=3 553 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,1,0,0,1,0|0,0,1]=3 554 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,1,0,0,1,0|0,0,1]=3 555 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [0,1,0,0,1,0|0,0,2]=4 556 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,1,0,0,1,0|0,1,1]=4 557 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,1,0,0,1,0|1,0,1]=4 558 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,1,0,0,1,0|1,0,1]=4 559 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,1,0,0,1,0|1,0,1]=4 560 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,1,0,0,1,0|0,0,1]=3 561 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,1,0|0,0,1]=3 562 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,1,0,0,1,0|0,0,1]=3 563 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,1,0,0,1,0|0,0,1]=3 564 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,1,0,0,1,0|0,0,1]=3 565 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,1,0,0,1,0|0,0,1]=3 566 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,1,0,0,1,0|0,0,1]=3 567 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,1,0,0,1,0|0,0,1]=3 568 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,1,0,0,1,0|0,0,1]=3 569 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,1,0,0,1,0|0,0,1]=3 570 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,1,0,0,1,0|0,0,1]=3 571 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,1,0,0,1,0|0,0,1]=3 572 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,1,0|1,0,0]=3 573 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,1,0,0,1,0|1,0,0]=3 574 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,1,0,0,1,0|0,0,0]=2 575 B9R0.7 O=C(O)\C=C\C(=O)C(=O)O Amb27214257 [0,1,0,0,1,0|0,0,1]=3 576 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [0,1,0,0,1,0|0,0,2]=4 577 B9R0.53 CC(=O)CC(=O)CC(C)=O Amb4018226 [0,1,0,0,1,0|2,0,0]=4 578 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,1,0,0,1,0|1,0,1]=4 579 B9R0.53 CC(=O)NC(=O)CC(=O)O Amb24671240 [0,1,0,0,1,0|2,0,0]=4 580 B9R0.53 CC(=O)\C=C(/C)CC(C)=O Amb24647875 [0,1,0,0,1,0|2,0,0]=4 581 B9R0.53 CC(=O)\C=C(/O)CC(C)=O Amb27945526 [0,1,0,0,1,0|2,0,0]=4 582 B9R0.53 CC(=O)\C=C(\C)CC(C)=O Amb25719264 [0,1,0,0,1,0|2,0,0]=4 583 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,1,0,0,1,0|0,0,1]=3 584 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,1,0,0,1,0|1,0,0]=3 585 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [0,1,0,0,1,0|1,0,1]=4 586 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,1,0,0,1,0|0,0,0]=2 587 B9R0.53 C\C(=C/C(=O)O)CN(C)O Amb27459209 [0,1,0,0,1,0|2,0,0]=4 588 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,1,0,0,1,0|0,0,0]=2 589 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [0,1,0,0,1,0|1,0,1]=4 590 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [0,1,0,0,1,0|1,0,1]=4 591 B9R0.53 NC(=O)NC(=O)CC(=O)O Amb25887627 [0,1,0,0,1,0|2,0,0]=4 592 B9R0.53 NC(=O)\C=C(/N)CC(N)=O Amb27846214 [0,1,0,0,1,0|2,0,0]=4 593 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,1,0|0,0,1]=3 594 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,1,0,0,1,0|0,0,1]=3 595 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [0,1,0,0,1,0|1,0,0]=3 596 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [0,1,0,0,1,0|0,0,0]=2 597 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [0,1,0,0,1,0|0,0,1]=3 598 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [0,1,0,0,1,0|0,0,1]=3 599 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [0,1,0,0,1,0|1,0,0]=3 600 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,1,0,0,1,0|0,0,0]=2 601 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [0,1,0,0,1,0|1,0,0]=3 602 B9R0.56 CC(C)(O)C\C=C\C(=O)O Amb18644104 [0,1,0,0,1,0|1,0,1]=4 603 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [0,1,0,0,1,0|1,0,1]=4 604 B9R0.56 CS(=O)(=O)C\C=C\C(=O)O Amb33481784 [0,1,0,0,1,0|1,0,1]=4 605 B9R0.56 NP(=O)(O)CNCC(=O)O Amb27233408 [0,1,0,0,1,0|2,0,0]=4 606 B9R0.56 O=C(O)CCCS(=O)(=O)O Amb27471573 [0,1,0,0,1,0|1,0,1]=4 607 B9R0.56 O=C(O)CNCP(=O)(O)O Amb3941678 [0,1,0,0,1,0|2,0,0]=4 608 B9R0.56 O=C(O)CNCP(=O)([O-])O Amb28995134 [0,1,0,0,1,0|2,0,0]=4 609 B9R0.56 O=C(O)\C=C\CS(=O)(=O)Cl Amb27601307 [0,1,0,0,1,0|1,0,1]=4 610 B9R0.56 O=C(O)\C=C\CS(=O)(=O)O Amb25185208 [0,1,0,0,1,0|1,0,0]=3 611 B11R0.29 CC(SCCCC(=O)O)C(=O)O Amb17503620 [0,1,0,0,0,1|0,0,2]=4 612 B11R0.29 NC(CCCCC(=O)O)C(=O)O Amb2760482 [0,1,0,0,0,1|0,0,2]=4 613 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb32660941 [0,1,0,0,0,1|0,0,2]=4 614 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb33552542 [0,1,0,0,0,1|0,0,2]=4 615 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb32686887 [0,1,0,0,0,1|0,0,2]=4 616 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb33470155 [0,1,0,0,0,1|0,0,2]=4 617 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O Amb22746360 [0,1,0,0,0,1|0,0,2]=4 618 B11R0.29 O=C(O)CCCCC(=O)C(=O)O Amb33470212 [0,1,0,0,0,1|0,0,2]=4 619 B11R0.29 O=C(O)CCSCC(=O)C(=O)O Amb33069682 [0,1,0,0,0,1|1,0,1]=4 620 B11R0.29 O=C(O)\C=C\SCC(=O)C(=O)O Amb33069699 [0,1,0,0,0,1|1,0,1]=4 621 B11R0.85 CC(=O)CNC(=O)\C=C\C(=O)O Amb20407494 [0,1,0,0,0,1|1,0,1]=4 622 B11R0.85 CC(=O)NCC(=O)NCC(=O)O Amb4016843 [0,1,0,0,0,1|2,0,0]=4 623 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb16187108 [0,1,0,0,0,1|0,0,2]=4 624 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb24117217 [0,1,0,0,0,1|0,0,2]=4 625 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb32664379 [0,1,0,0,0,1|0,0,2]=4 626 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb33473618 [0,1,0,0,0,1|0,0,2]=4 627 B11R0.85 O=C(O)CCC(=O)CCC(=O)O Amb6296610 [0,1,0,0,0,1|0,0,1]=3 628 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Amb17940408 [0,1,0,0,0,1|0,0,1]=3 629 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Amb4086179 [0,1,0,0,0,1|0,0,2]=4 630 B11R0.85 O=C(O)CSC(=S)SCC(=O)O Amb2613075 [0,1,0,0,0,1|1,0,0]=3 631 B11R0.85 O=C(O)\C=C\C(=O)\C=C\C(=O)O Amb2722963 [0,1,0,0,0,1|0,0,2]=4 632 B11R0.111 COC(=O)CCCCCC(=O)O Amb13887311 [0,1,0,0,0,1|0,0,2]=4 633 B11R0.93 COC(=O)NC(=O)\C=C\C(=O)O Amb26443102 [0,2,0,0,0,0|1,0,1]=4 634 B11R0.106 COC(=O)CCCCC(=O)OC Amb2793126 [0,2,0,0,0,0|0,0,2]=4 635 B11R0.106 COC(=O)CCNCC(=O)OC Amb8867280 [0,2,0,0,0,0|1,0,1]=4 636 B11R0.106 COC(=O)CCSCC(=O)OC Amb2720730 [0,2,0,0,0,0|1,0,1]=4 637 B11R0.106 COC(=O)CNNCC(=O)OC Amb19651359 [0,2,0,0,0,0|2,0,0]=4 638 B11R0.106 COC(=O)C\C=C\CC(=O)OC Amb34910343 [0,2,0,0,0,0|0,0,0]=2 639 B11R0.106 COC(=O)\C=C\C=C\C(=O)OC Amb4006251 [0,2,0,0,0,0|0,0,2]=4 640 B11R0.107 COC(=O)CCC(=O)CC(C)=O Amb17334875 [0,2,0,0,0,0|1,0,1]=4 641 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33621268 [0,2,0,0,0,0|0,0,2]=4 642 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33744519 [0,2,0,0,0,0|0,0,2]=4 643 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O Amb13884888 [0,2,0,0,0,0|0,0,2]=4 644 B11R0.109 COC(=O)CSCC(N)C(=O)O Amb6273780 [0,2,0,0,0,0|1,0,1]=4 645 B11R0.176 CCOC(=O)CCCCC(=O)O Amb3939942 [0,2,0,0,0,0|0,0,2]=4 646 B11R0.33 O=C(O)\C=C(O)/C=C(/Cl)C(=O)O Amb27592918 [0,2,0,0,0,0|0,0,2]=4 647 B11R0.143 CC(=O)N\C(=C\CC(=O)O)CS Amb27191772 [0,2,0,0,0,0|2,0,0]=4 648 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O Amb24114097 [0,2,0,0,0,0|0,0,2]=4 649 B11R0.173 CC(C(=O)O)N(C)CCC(=O)O Amb17561090 [0,2,0,0,0,0|1,0,1]=4 650 B11R0.232 O=C(O)CCS(=O)(=O)CC(=O)O Amb17501260 [0,2,0,0,0,0|1,0,1]=4 651 B11R0.150 CC(C#CC(C)C(=O)O)C(=O)O Amb27858793 [0,2,0,0,0,0|0,0,2]=4 652 B11R0.150 C\C(=C\C=C(\C)C(=O)O)C(=O)O Amb4009136 [0,2,0,0,0,0|0,0,2]=4 653 B11R0.150 C\C(=C\C=C(\Cl)C(=O)O)C(=O)O Amb27984867 [0,2,0,0,0,0|0,0,2]=4 654 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O Amb10602546 [0,2,0,0,0,0|0,0,2]=4 655 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O Amb4036374 [0,2,0,0,0,0|0,0,2]=4 656 B11R0.150 O=C(O)\C(O)=C\C=C(/F)C(=O)O Amb28384493 [0,2,0,0,0,0|0,0,2]=4 657 B11R0.202 CC(C)(SCCC(=O)O)C(=O)O Amb17501236 [0,2,0,0,0,0|1,0,1]=4 658 B9R1.2 O=CC1=CC=CC(=O)O1 Amb27481476 [1,0,0,1,0,0|0,0,2]=4 659 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [1,0,0,1,0,0|0,0,2]=4 660 B9R1.6 O=C(O)C1C=CCC=C1 Amb17593268 [1,0,0,1,0,0|1,0,0]=3 661 B9R1.6 O=C(O)C1C=CCCC1 Amb18642396 [1,0,0,1,0,0|1,0,1]=4 662 B9R1.6 O=C(O)C1C=CCCN1 Amb25145978 [1,0,0,1,0,0|1,0,1]=4 663 B9R1.6 O=C(O)C1C=CCCN1 Amb35750834 [1,0,0,1,0,0|1,0,1]=4 664 B9R1.6 O=C(O)C1C=CCNC1 Amb18642497 [1,0,0,1,0,0|2,0,0]=4 665 B9R1.6 O=C(O)C1C=CCNC1 Amb35747468 [1,0,0,1,0,0|2,0,0]=4 666 B9R1.7 C\C=C\C1=CCC(=O)O1 Amb26429675 [1,0,0,1,0,0|1,0,1]=4 667 B9R1.7 Cc1ccc(CC=O)o1 Amb26584704 [1,0,0,1,0,0|1,0,1]=4 668 B9R1.7 O=CCC1CCC(=O)O1 Amb27873383 [1,0,0,1,0,0|0,0,2]=4 669 B9R1.7 O=CCc1ccc(Br)o1 Amb27870879 [1,0,0,1,0,0|1,0,1]=4 670 B9R1.7 O=CCc1ccc(Cl)o1 Amb25174639 [1,0,0,1,0,0|1,0,1]=4 671 B9R1.7 O=C\C=C1/C=CC(=O)O1 Amb24334582 [1,0,0,1,0,0|0,0,2]=4 672 B9R1.9 O=C\C=C/C1CC(=O)O1 Amb28202384 [1,0,0,1,0,0|0,0,2]=4 673 B9R1.13 CC(=O)Cc1ccco1 Amb5751052 [1,0,0,1,0,0|1,0,1]=4 674 B9R1.13 CC(=O)Cc1cnco1 Amb33416893 [1,0,0,1,0,0|2,0,0]=4 675 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [1,0,0,1,0,0|1,0,1]=4 676 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [1,0,0,1,0,0|1,0,1]=4 677 B9R1.13 O=C(O)CC1=CCC=C1 Amb27945563 [1,0,0,1,0,0|1,0,0]=3 678 B9R1.13 O=C(O)CC1=CCCC1 Amb18642404 [1,0,0,1,0,0|1,0,1]=4 679 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [1,0,0,1,0,0|0,0,1]=3 680 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [1,0,0,1,0,0|0,1,1]=4 681 B9R1.13 O=C(O)Cc1ccno1 Amb8009410 [1,0,0,1,0,0|1,0,1]=4 682 B9R1.13 O=C(O)Cc1ccoc1 Amb2611514 [1,0,0,1,0,0|2,0,0]=4 683 B9R1.13 O=C(O)Cc1ccsc1 Amb1151879 [1,0,0,1,0,0|2,0,0]=4 684 B9R1.13 O=C(O)Cc1cnco1 Amb8009409 [1,0,0,1,0,0|1,0,0]=3 685 B9R1.13 O=C(O)Cc1cncs1 Amb3319218 [1,0,0,1,0,0|1,1,0]=4 686 B9R1.13 O=C(O)Cc1cocn1 Amb8009408 [1,0,0,1,0,0|2,0,0]=4 687 B9R1.13 O=C(O)Cc1cscn1 Amb17039671 [1,0,0,1,0,0|2,0,0]=4 688 B9R1.13 O=C(O)Cc1cscn1 Amb33537693 [1,0,0,1,0,0|2,0,0]=4 689 B9R1.13 O=C(O)Cc1ncco1 Amb8009407 [1,0,0,1,0,0|1,0,1]=4 690 B9R1.13 O=C(O)Cc1nnco1 Amb22753920 [1,0,0,1,0,0|2,0,0]=4 691 B9R1.13 O=C([O-])Cc1cnco1 Amb33621239 [1,0,0,1,0,0|1,0,1]=4 692 B9R1.41 CN1CC=CC1C(=O)O Amb15701264 [1,0,0,1,0,0|2,0,0]=4 693 B9R1.41 CN1CC=CC1C(=O)O Amb22587153 [1,0,0,1,0,0|2,0,0]=4 694 B9R1.41 NC1=NC=CC1C(=O)O Amb28293193 [1,0,0,1,0,0|2,0,0]=4 695 B9R1.41 O=C(O)C1CCCC1=O Amb18642571 [1,0,0,1,0,0|0,0,2]=4 696 B9R1.41 O=C(O)C1CSCC1=O Amb16230660 [1,0,0,1,0,0|1,0,1]=4 697 B9R1.46 O=C(O)CCC1=C(Br)C1 Amb27650642 [1,0,0,1,0,0|1,0,1]=4 698 B9R1.48 O=C1CCCCC(=O)O1 Amb8487366 [1,0,0,1,0,0|0,0,2]=4 699 B9R1.50 O=C1CC=CCC=CC1 Amb22365229 [1,0,0,1,0,0|2,0,0]=4 700 B9R1.50 O=C1CC=CCCOC1 Amb22364797 [1,0,0,1,0,0|1,0,1]=4 701 B9R1.85 CC(=O)C\C=C\C1CO1 Amb32938577 [1,0,0,1,0,0|1,0,1]=4 702 B9R1.96 CC(=O)[C@@H]1C=C[C@@H]1CO Amb26012593 [1,0,0,1,0,0|1,0,1]=4 703 B9R1.96 CC(=O)[C@H]1C=C[C@H]1CO Amb27419915 [1,0,0,1,0,0|1,0,1]=4 704 B9R1.96 NC(=O)C1C=CC1CO Amb28255228 [1,0,0,1,0,0|1,0,1]=4 705 B9R1.96 O=C(O)C1C=CC1CO Amb27875148 [1,0,0,1,0,0|0,0,1]=3 706 B9R1.96 O=C(O)[C@H]1C=C[C@H]1CO Amb27783406 [1,0,0,1,0,0|0,0,1]=3 707 B9R1.35 CC(=O)C1=CCC(=S)O1 Amb27261937 [0,0,0,1,1,0|1,1,0]=4 708 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [0,0,0,1,1,0|1,0,1]=4 709 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [0,0,0,1,1,0|1,0,1]=4 710 B9R1.35 CC(O)[C@H]1C=CC(=O)O1 Amb27632756 [0,0,0,1,1,0|1,0,1]=4 711 B9R1.35 CC1C=CC(C(=O)O)O1 Amb18642586 [0,0,0,1,1,0|1,0,1]=4 712 B9R1.35 C[C@H](O)[C@@H]1C=CC(=O)O1 Amb27213832 [0,0,0,1,1,0|1,0,1]=4 713 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 Amb28435793 [0,0,0,1,1,0|1,0,1]=4 714 B9R1.35 Cc1ccc(C(=O)O)o1 Amb6318544 [0,0,0,1,1,0|1,0,1]=4 715 B9R1.35 Cc1ncc(C(=O)O)o1 Amb17399815 [0,0,0,1,1,0|2,0,0]=4 716 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [0,0,0,1,1,0|1,0,1]=4 717 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [0,0,0,1,1,0|1,0,1]=4 718 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [0,0,0,1,1,0|1,0,1]=4 719 B9R1.35 Nc1ccc(C(=O)O)o1 Amb18946756 [0,0,0,1,1,0|1,0,1]=4 720 B9R1.35 Nc1ncc(C(=O)O)o1 Amb19959202 [0,0,0,1,1,0|2,0,0]=4 721 B9R1.35 O=C(O)c1ccc(Br)o1 Amb6335213 [0,0,0,1,1,0|1,0,1]=4 722 B9R1.35 O=C(O)c1ccc(Cl)o1 Amb1107530 [0,0,0,1,1,0|1,0,1]=4 723 B9R1.35 O=C(O)c1ccc(F)o1 Amb23538033 [0,0,0,1,1,0|1,0,1]=4 724 B9R1.35 O=C(O)c1ccc(I)o1 Amb2459665 [0,0,0,1,1,0|1,0,1]=4 725 B9R1.35 O=C(O)c1cnc(Br)o1 Amb22432570 [0,0,0,1,1,0|2,0,0]=4 726 B9R1.35 O=C(O)c1cnc(Cl)o1 Amb26652765 [0,0,0,1,1,0|2,0,0]=4 727 B9R1.35 O=C(O)c1cnc(O)o1 Amb25178101 [0,0,0,1,1,0|1,0,1]=4 728 B9R1.35 O=C(O)c1coc(O)n1 Amb24481698 [0,0,0,1,1,0|2,0,0]=4 729 B9R1.35 O=C(O)c1csc(O)c1 Amb26638056 [0,0,0,1,1,0|2,0,0]=4 730 B9R1.35 O=C(O)c1csc(O)n1 Amb27142660 [0,0,0,1,1,0|2,0,0]=4 731 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,0,0,1,1,0|1,0,1]=4 732 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,0,0,1,1,0|1,0,0]=3 733 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,0,0,1,1,0|1,0,0]=3 734 B9R1.35 O=C1CC(C(=O)O)=CN1 Amb18832707 [0,0,0,1,1,0|2,0,0]=4 735 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [0,0,0,1,1,0|2,0,0]=4 736 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [0,0,0,1,1,0|1,0,1]=4 737 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [0,0,0,1,1,0|1,0,1]=4 738 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [0,0,0,1,1,0|1,0,1]=4 739 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [0,0,0,1,1,0|0,0,1]=3 740 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [0,0,0,1,1,0|0,1,1]=4 741 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [0,0,0,1,1,0|1,0,1]=4 742 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [0,0,0,1,1,0|1,0,1]=4 743 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [0,0,0,1,1,0|1,0,1]=4 744 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [0,0,0,1,1,0|1,0,1]=4 745 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [0,0,0,1,1,0|0,0,1]=3 746 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [0,0,0,1,1,0|1,0,1]=4 747 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [0,0,0,1,1,0|1,0,1]=4 748 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [0,0,0,1,1,0|1,0,1]=4 749 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [0,0,0,1,1,0|0,0,1]=3 750 B9R1.35 O=C1CN=C(C(=O)O)N1 Amb24387402 [0,0,0,1,1,0|2,0,0]=4 751 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [0,0,0,1,1,0|2,0,0]=4 752 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [0,0,0,1,1,0|2,0,0]=4 753 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [0,0,0,1,1,0|2,0,0]=4 754 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [0,0,0,1,1,0|2,0,0]=4 755 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [0,0,0,1,1,0|2,0,0]=4 756 B9R1.35 O=C1CSC(C(=O)Cl)O1 Amb25724287 [0,0,0,1,1,0|2,0,0]=4 757 B9R1.35 O=C1CSC(C(=O)O)=N1 Amb27211941 [0,0,0,1,1,0|2,0,0]=4 758 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [0,0,0,1,1,0|2,0,0]=4 759 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [0,0,0,1,1,0|1,0,0]=3 760 B9R1.35 O=C1NC=C(C(=O)O)N1 Amb18278248 [0,0,0,1,1,0|2,0,0]=4 761 B9R1.35 O=C1NC=C(C(=O)O)S1 Amb33531086 [0,0,0,1,1,0|1,1,0]=4 762 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [0,0,0,1,1,0|1,0,1]=4 763 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [0,0,0,1,1,0|1,0,1]=4 764 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [0,0,0,1,1,0|1,0,1]=4 765 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [0,0,0,1,1,0|1,0,1]=4 766 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [0,0,0,1,1,0|1,0,1]=4 767 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [0,0,0,1,1,0|1,0,1]=4 768 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,1,0|1,0,1]=4 769 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [0,0,0,1,1,0|2,0,0]=4 770 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [0,0,0,1,1,0|1,0,1]=4 771 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [0,0,0,1,1,0|1,0,1]=4 772 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [0,0,0,1,1,0|1,0,1]=4 773 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [0,0,0,1,1,0|1,0,1]=4 774 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [0,0,0,1,1,0|0,0,1]=3 775 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [0,0,0,1,1,0|1,0,0]=3 776 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [0,0,0,1,1,0|0,0,1]=3 777 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [0,0,0,1,1,0|1,0,0]=3 778 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [0,0,0,1,1,0|0,0,1]=3 779 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [0,0,0,1,1,0|0,0,1]=3 780 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [0,0,0,1,1,0|1,0,0]=3 781 B11R1.75 C=C(C)C\C=C1\CCC(=O)O1 Amb27632958 [0,0,0,1,0,1|2,0,0]=4 782 B11R1.75 CC(=O)CCC1=CCC(=O)N1 Amb27849883 [0,0,0,1,0,1|2,0,0]=4 783 B11R1.75 CC(=O)N\C=C1\CNC(=O)O1 Amb27796187 [0,0,0,1,0,1|2,0,0]=4 784 B11R1.75 CC1=CC(CCC(=O)O)=CC1 Amb27632504 [0,0,0,1,0,1|2,0,0]=4 785 B11R1.75 CC1CC\C(=C/CC(=O)O)O1 Amb27226852 [0,0,0,1,0,1|1,0,1]=4 786 B11R1.75 Cc1ccc(CCC(=O)O)o1 Amb6336472 [0,0,0,1,0,1|1,0,1]=4 787 B11R1.75 Cc1ccc(OCC(=O)O)o1 Amb33317586 [0,0,0,1,0,1|1,0,1]=4 788 B11R1.75 Cc1ncc(CCC(=O)O)o1 Amb18830921 [0,0,0,1,0,1|2,0,0]=4 789 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Amb19550071 [0,0,0,1,0,1|2,0,0]=4 790 B11R1.75 O=C(O)CCC1=CSC(=O)N1 Amb18544048 [0,0,0,1,0,1|2,0,0]=4 791 B11R1.75 O=C(O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,1|0,0,2]=4 792 B11R1.75 O=C(O)CCc1ccc(Br)o1 Amb9175389 [0,0,0,1,0,1|1,0,1]=4 793 B11R1.75 O=C(O)CCc1ccc(Cl)o1 Amb27235080 [0,0,0,1,0,1|1,0,1]=4 794 B11R1.75 O=C(O)CCc1ccc(F)o1 Amb27428994 [0,0,0,1,0,1|1,0,1]=4 795 B11R1.75 O=C(O)COc1ccc(Br)o1 Amb33452237 [0,0,0,1,0,1|1,0,1]=4 796 B11R1.75 O=C(O)COc1ccc(Cl)o1 Amb33259048 [0,0,0,1,0,1|1,0,1]=4 797 B11R1.75 O=C(O)CSC1=NC(=O)CS1 Amb25209938 [0,0,0,1,0,1|2,0,0]=4 798 B11R1.75 O=C(O)C\N=C1/NC(=O)CS1 Amb2607349 [0,0,0,1,0,1|2,0,0]=4 799 B11R1.75 O=C(O)\C=C\C1=NC(=O)CO1 Amb27231808 [0,0,0,1,0,1|1,0,1]=4 800 B11R1.157 C[C@@H](O)C[C@@H]1C=CCC(=O)O1 Amb27792014 [0,0,0,1,0,1|1,0,1]=4 801 B11R1.157 O=C(O)CC1=CC(=O)NC=C1 Amb26396091 [0,0,0,1,0,1|1,0,1]=4 802 B11R1.157 O=C(O)CC1=CC(=O)NC=N1 Amb22009632 [0,0,0,1,0,1|2,0,0]=4 803 B11R1.157 O=C(O)CC1=CC(=O)NN=C1 Amb25825208 [0,0,0,1,0,1|2,0,0]=4 804 B11R1.157 O=C(O)CC1=CN=CC(=O)N1 Amb18200849 [0,0,0,1,0,1|1,0,1]=4 805 B11R1.157 O=C(O)CC1=CSCC(=O)N1 Amb17112127 [0,0,0,1,0,1|1,0,0]=3 806 B11R1.157 O=C(O)Cc1cccc(O)c1 Amb3940110 [0,0,0,1,0,1|1,0,1]=4 807 B11R1.157 O=C(O)Cc1cccc(O)n1 Amb20247884 [0,0,0,1,0,1|1,0,1]=4 808 B11R1.157 O=C(O)Cc1ccnc(O)c1 Amb33533757 [0,0,0,1,0,1|1,0,1]=4 809 B11R1.157 O=C(O)Cc1ccnc(O)n1 Amb18200881 [0,0,0,1,0,1|1,0,1]=4 810 B11R1.157 O=C(O)Cc1cncc(O)c1 Amb27781042 [0,0,0,1,0,1|1,0,1]=4 811 B11R1.157 O=C(O)Cc1nccc(O)n1 Amb18862504 [0,0,0,1,0,1|1,0,1]=4 812 B11R1.178 C=C(C)[C@@H]1C=CC[C@@H]1C(=O)O Amb27768028 [0,0,0,1,0,1|2,0,0]=4 813 B11R1.178 CC(=O)N1CC=CC1C(=O)O Amb28254452 [0,0,0,1,0,1|1,0,0]=3 814 B11R1.178 NC(=O)[C@H]1N=CO[C@@H]1C(=O)O Amb28062927 [0,0,0,1,0,1|2,0,0]=4 815 B11R1.178 O=C(O)C1C=CCC1C(=O)O Amb28365373 [0,0,0,1,0,1|0,0,0]=2 816 B11R1.178 O=C(O)C1CCCC1C(=O)O Amb2732979 [0,0,0,1,0,1|0,0,2]=4 817 B11R1.178 O=C(O)C1CCCN1C(=O)O Amb24060622 [0,0,0,1,0,1|0,0,2]=4 818 B11R1.178 O=C(O)C1CCNC1C(=O)O Amb22741053 [0,0,0,1,0,1|0,0,2]=4 819 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb22495455 [0,0,0,1,0,1|0,0,2]=4 820 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb32666021 [0,0,0,1,0,1|0,0,2]=4 821 B11R1.178 O=C(O)C1COCC1C(=O)O Amb23571987 [0,0,0,1,0,1|0,0,2]=4 822 B11R1.178 O=C(O)C1SCSC1C(=O)O Amb27408556 [0,0,0,1,0,1|1,0,1]=4 823 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O Amb6299712 [0,0,0,1,0,1|0,0,2]=4 824 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O Amb2695693 [0,0,0,1,0,1|0,0,2]=4 825 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb25200351 [0,0,0,1,0,1|0,0,2]=4 826 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb32664021 [0,0,0,1,0,1|0,0,2]=4 827 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O Amb26847108 [0,0,0,1,0,1|0,0,2]=4 828 B11R1.178 O=C(O)[C@@H]1CSC[C@H]1C(=O)O Amb28193749 [0,0,0,1,0,1|0,0,2]=4 829 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O Amb13890829 [0,0,0,1,0,1|0,0,2]=4 830 B11R1.178 O=C(O)[C@H]1CCN[C@@H]1C(=O)O Amb27422064 [0,0,0,1,0,1|0,0,2]=4 831 B11R1.178 O=C(O)[C@H]1CCN[C@H]1C(=O)O Amb27791852 [0,0,0,1,0,1|0,0,2]=4 832 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb25945306 [0,0,0,1,0,1|0,0,2]=4 833 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb28664288 [0,0,0,1,0,1|0,0,2]=4 834 B11R1.178 O=C(O)c1ccoc1C(=O)O Amb5717808 [0,0,0,1,0,1|0,0,2]=4 835 B11R1.178 O=C(O)c1ccsc1C(=O)O Amb2611505 [0,0,0,1,0,1|0,0,2]=4 836 B11R1.178 O=C(O)c1cocc1C(=O)O Amb4036468 [0,0,0,1,0,1|0,0,2]=4 837 B11R1.178 O=C(O)c1cscc1C(=O)O Amb2447537 [0,0,0,1,0,1|0,0,2]=4 838 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,0,0,1,0,1|0,0,2]=4 839 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,0,0,1,0,1|0,0,2]=4 840 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,0,0,1,0,1|0,0,2]=4 841 B11R1.740 O=C(O)CC1CC1CC(=O)O Amb4015364 [0,0,0,1,0,1|0,0,2]=4 842 B11R1.730 O=C(O)C1C=CCP(=O)(O)N1 Amb27407735 [0,1,0,1,0,0|1,0,0]=3 843 B11R1.20 O=C(O)CC1=CCC(O)CC1 Amb27409091 [0,1,0,1,0,0|1,0,1]=4 844 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Amb33544221 [0,1,0,1,0,0|1,0,1]=4 845 B11R1.20 O=C(O)CC1=CNC(=O)C=N1 Amb25028216 [0,1,0,1,0,0|2,0,0]=4 846 B11R1.20 O=C(O)CC1=NNC(=O)C=C1 Amb18211856 [0,1,0,1,0,0|1,0,1]=4 847 B11R1.20 O=C(O)CC1=NNC(=O)CC1 Amb27946715 [0,1,0,1,0,0|1,0,1]=4 848 B11R1.20 O=C(O)Cc1ccc(O)cc1 Amb1214964 [0,1,0,1,0,0|1,0,1]=4 849 B11R1.20 O=C(O)Cc1ccc(O)cn1 Amb26848856 [0,1,0,1,0,0|1,0,1]=4 850 B11R1.23 COC(=O)C1C=CCC(=O)C1 Amb25700306 [0,1,0,1,0,0|1,0,0]=3 851 B11R1.39 COC(=O)CC1=NC(=O)CS1 Amb585521 [0,1,0,1,0,0|2,0,0]=4 852 B11R1.39 COC(=O)Cc1ccc(Br)o1 Amb27659893 [0,1,0,1,0,0|1,0,1]=4 853 B11R1.39 COC(=O)Cc1ccc(C)o1 Amb26848833 [0,1,0,1,0,0|1,0,1]=4 854 B11R1.39 COC(=O)Cc1cnc(C)o1 Amb25208452 [0,1,0,1,0,0|2,0,0]=4 855 B11R1.43 CC(=O)Cc1ccc(C=O)o1 Amb26463947 [0,1,0,1,0,0|1,0,1]=4 856 B11R1.43 CCc1ncc(CC(=O)O)o1 Amb18200529 [0,1,0,1,0,0|2,0,0]=4 857 B11R1.43 COc1ccc(CC(=O)O)s1 Amb26844184 [0,1,0,1,0,0|0,1,1]=4 858 B11R1.43 COc1nc(CC(=O)O)cs1 Amb18825303 [0,1,0,1,0,0|2,0,0]=4 859 B11R1.43 COc1ncc(CC(=O)O)s1 Amb27176772 [0,1,0,1,0,0|1,1,0]=4 860 B11R1.43 CSc1ccc(CC(=O)O)o1 Amb18198325 [0,1,0,1,0,0|0,1,1]=4 861 B11R1.43 N#Cc1ccc(CC(=O)O)o1 Amb27600925 [0,1,0,1,0,0|1,0,1]=4 862 B11R1.43 O=C(O)Cc1ccc(CS)o1 Amb26047785 [0,1,0,1,0,0|0,1,1]=4 863 B11R1.43 O=C(O)Cc1cnc(CF)o1 Amb27777413 [0,1,0,1,0,0|2,0,0]=4 864 B11R1.43 O=C(O)Cc1csc(CO)n1 Amb18647723 [0,1,0,1,0,0|2,0,0]=4 865 B11R1.43 O=Cc1cc(CC(=O)O)co1 Amb28292836 [0,1,0,1,0,0|2,0,0]=4 866 B11R1.43 O=Cc1ccc(CC(=O)O)o1 Amb26484601 [0,1,0,1,0,0|0,0,1]=3 867 B11R1.43 O=Cc1ccc(SC(=O)O)o1 Amb27176458 [0,1,0,1,0,0|1,0,1]=4 868 B11R1.43 O=Cc1nc(CC(=O)O)co1 Amb23590352 [0,1,0,1,0,0|2,0,0]=4 869 B11R1.147 O=C(O)CCC1CC(=O)N1O Amb27176442 [0,1,0,1,0,0|0,0,2]=4 870 B11R1.147 O=C(O)CC[C@@H]1CC(=O)N1O Amb28385712 [0,1,0,1,0,0|0,0,2]=4 871 B11R1.159 O=C(O)C1=C(O)C(=O)NC=C1 Amb18200553 [0,1,0,1,0,0|1,0,1]=4 872 B11R1.159 O=C(O)C1=CC=CC(=O)N1O Amb19959009 [0,1,0,1,0,0|0,0,2]=4 873 B11R1.159 O=C(O)c1cccc(=O)n1O Amb22227966 [0,1,0,1,0,0|0,0,2]=4 874 B11R1.313 CC1=C(CC(=O)O)CCC1=O Amb27791857 [0,1,0,1,0,0|1,0,1]=4 875 B11R1.313 CN1C(=O)SC=C1CC(=O)O Amb18534616 [0,1,0,1,0,0|2,0,0]=4 876 B11R1.849 COC(=O)C1CC1CC(=O)O Amb26081648 [0,1,0,1,0,0|0,0,2]=4 877 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O Amb26660739 [0,1,0,1,0,0|0,0,2]=4 878 B11R1.870 COC(=O)C1C=CC1C(=O)Cl Amb27945674 [0,1,0,1,0,0|1,0,0]=3 879 B11R1.870 COC(=O)C1C=C[C@@H]1C(=O)O Amb27273537 [0,1,0,1,0,0|0,0,0]=2 880 B11R1.870 COC(=O)C1CCC1C(=O)O Amb25844392 [0,1,0,1,0,0|0,0,2]=4 881 B11R1.870 COC(=O)[C@@H]1C=C[C@@H]1C(=O)O Amb28437093 [0,1,0,1,0,0|0,0,0]=2 882 B11R1.870 COC(=O)[C@@H]1C=C[C@H]1C(=O)O Amb25911999 [0,1,0,1,0,0|0,0,0]=2 883 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb23439085 [0,1,0,1,0,0|0,0,2]=4 884 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O Amb26948041 [0,1,0,1,0,0|0,0,2]=4 885 B11R1.870 COC(=O)[C@H]1C=C[C@@H]1C(=O)O Amb27645479 [0,1,0,1,0,0|0,0,0]=2 886 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28247482 [0,1,0,1,0,0|0,0,2]=4 887 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O Amb28138440 [0,1,0,1,0,0|0,0,2]=4 888 B11R1.74 O=C1C=C(O)C=C(C(=O)O)O1 Amb18644775 [0,1,0,1,0,0|0,0,2]=4 889 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 Amb10069927 [0,1,0,1,0,0|1,0,1]=4 890 B11R1.74 O=C1CC(=O)NC(C(=O)O)C1 Amb18200050 [0,1,0,1,0,0|1,0,1]=4 891 B11R1.74 O=C1CC(=O)N[C@H](C(=O)O)C1 Amb27985272 [0,1,0,1,0,0|1,0,1]=4 892 B11R1.74 O=C1CC(=O)OC(C(=O)O)C1 Amb26849736 [0,1,0,1,0,0|0,0,1]=3 893 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [0,1,0,1,0,0|0,0,2]=4 894 B11R1.108 O=C(O)C1CC(=O)C1C(=O)O Amb34149611 [0,1,0,1,0,0|0,0,1]=3 895 B11R1.108 O=C(O)[C@H]1CC(=O)[C@@H]1C(=O)O Amb34913067 [0,1,0,1,0,0|0,0,1]=3 896 B11R1.108 O=C(O)[C@H]1CC(=O)[C@H]1C(=O)O Amb34912796 [0,1,0,1,0,0|0,0,1]=3 897 B11R1.167 CC(=O)C1CC(=O)CC=C1C Amb25834426 [0,1,0,1,0,0|2,0,0]=4 898 B11R1.167 CC(=O)C1CC(=O)CC=C1F Amb26624810 [0,1,0,1,0,0|2,0,0]=4 899 B11R1.167 O=C1CNC(=O)C(C(=O)O)N1 Amb22492426 [0,1,0,1,0,0|2,0,0]=4 900 B11R1.645 CC1=C(CC(=O)O)OC(=O)N1 Amb18830674 [0,1,0,1,0,0|1,0,0]=3 901 B11R1.645 CC1=C(CC(=O)O)SC(=O)N1 Amb18041895 [0,1,0,1,0,0|1,1,0]=4 902 B11R1.645 CC1=CC(=O)OC1CC(=O)O Amb18125925 [0,1,0,1,0,0|0,0,2]=4 903 B11R1.645 CC1CC(=O)OC1CC(=O)O Amb28458582 [0,1,0,1,0,0|0,0,2]=4 904 B11R1.645 Cc1cc(C)c(CC(=O)O)o1 Amb18831041 [0,1,0,1,0,0|1,0,1]=4 905 B11R1.645 Cc1nc(C)c(CC(=O)O)o1 Amb17399990 [0,1,0,1,0,0|2,0,0]=4 906 B11R1.645 Cc1sc(O)nc1CC(=O)O Amb18198070 [0,1,0,1,0,0|2,0,0]=4 907 B11R1.645 O=C(O)CC1=CC(=O)OC1=O Amb3940406 [0,1,0,1,0,0|2,0,0]=4 908 B11R1.645 O=C(O)CC1=CC(O)CC1=O Amb18644778 [0,1,0,1,0,0|1,0,1]=4 909 B11R1.645 O=C(O)CC1OC(=O)C=C1Br Amb17596018 [0,1,0,1,0,0|0,0,2]=4 910 B11R1.645 O=C(O)CC1OC(=O)C=C1O Amb27657626 [0,1,0,1,0,0|0,0,2]=4 911 B11R1.645 O=C(O)Cc1sc(O)nc1O Amb4035843 [0,1,0,1,0,0|1,1,0]=4 912 B11R1.645 O=C(O)\C=C1/OC(=O)C=C1Cl Amb27232894 [0,1,0,1,0,0|0,0,2]=4 913 B11R1.1039 O=C(O)CC1(O)C=CC(=O)O1 Amb28118906 [0,1,0,1,0,0|0,0,2]=4 914 B11R1.1039 O=C(O)CC1(O)CCC(=O)O1 Amb27823336 [0,1,0,1,0,0|0,0,2]=4 915 B11R1.21 CC1=CC=C(C(=O)O)OC1=O Amb18644609 [0,1,0,1,0,0|0,0,2]=4 916 B11R1.21 O=C(O)C1=CC=C(O)C(=O)O1 Amb27401871 [0,1,0,1,0,0|0,0,2]=4 917 B11R1.80 CC1=C\C(=C\C(=O)O)OC1=O Amb28429388 [0,1,0,1,0,0|0,0,2]=4 918 B11R1.80 Cc1oc(CC(=O)O)cc1N Amb18830914 [0,1,0,1,0,0|1,0,1]=4 919 B11R1.80 O=C(O)CC1C=C(Cl)C(=O)O1 Amb27233573 [0,1,0,1,0,0|0,0,2]=4 920 B11R1.80 O=C(O)C[C@@H]1C=C(F)C(=O)O1 Amb25724279 [0,1,0,1,0,0|0,0,2]=4 921 B11R1.80 O=C(O)Cc1cc(Br)c(Br)o1 Amb33435776 [0,1,0,1,0,0|1,0,1]=4 922 B11R1.175 CC(=O)C1C=CC(C(C)=O)C1 Amb24408272 [0,1,0,1,0,0|2,0,0]=4 923 B11R1.175 NC(=O)C1C=CC(C(N)=O)N1 Amb28072985 [0,1,0,1,0,0|2,0,0]=4 924 B11R1.175 NC(=O)[C@@H]1C=C[C@H](C(N)=O)N1 Amb27863934 [0,1,0,1,0,0|2,0,0]=4 925 B11R1.175 O=C(O)C1=CC=C(C(=O)O)C1 Amb27858856 [0,1,0,1,0,0|0,0,2]=4 926 B11R1.175 O=C(O)C1C=CC(C(=O)O)C1 Amb27192014 [0,1,0,1,0,0|0,0,0]=2 927 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 Amb2221143 [0,1,0,1,0,0|0,0,2]=4 928 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 Amb18126226 [0,1,0,1,0,0|0,0,2]=4 929 B11R1.175 O=C(O)C1CCC(C(=O)O)[Se]1 Amb2793472 [0,1,0,1,0,0|0,0,2]=4 930 B11R1.175 O=C(O)C1CNC(C(=O)O)C1 Amb2695727 [0,1,0,1,0,0|1,0,1]=4 931 B11R1.175 O=C(O)C1COC(C(=O)O)C1 Amb23454154 [0,1,0,1,0,0|1,0,1]=4 932 B11R1.175 O=C(O)C1CSC(C(=O)O)C1 Amb18647960 [0,1,0,1,0,0|1,0,1]=4 933 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 Amb16203736 [0,1,0,1,0,0|1,0,1]=4 934 B11R1.175 O=C(O)[C@@H]1C=C[C@H](C(=O)O)C1 Amb27491019 [0,1,0,1,0,0|0,0,0]=2 935 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 Amb27455546 [0,1,0,1,0,0|0,0,2]=4 936 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb25174831 [0,1,0,1,0,0|0,0,2]=4 937 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)O1 Amb27966839 [0,1,0,1,0,0|0,0,2]=4 938 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560341 [0,1,0,1,0,0|0,0,2]=4 939 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 Amb17620468 [0,1,0,1,0,0|0,0,2]=4 940 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560340 [0,1,0,1,0,0|0,0,2]=4 941 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C(=O)O)C1 Amb24559908 [0,1,0,1,0,0|1,0,1]=4 942 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 Amb22262950 [0,1,0,1,0,0|1,0,1]=4 943 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 Amb19930523 [0,1,0,1,0,0|1,0,1]=4 944 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)SS1 Amb27817898 [0,1,0,1,0,0|2,0,0]=4 945 B11R1.175 O=C(O)[C@H]1C=C[C@H](C(=O)O)O1 Amb27650630 [0,1,0,1,0,0|0,0,0]=2 946 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 Amb6299713 [0,1,0,1,0,0|0,0,2]=4 947 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 Amb22744933 [0,1,0,1,0,0|0,0,2]=4 948 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Amb27195626 [0,1,0,1,0,0|0,0,2]=4 949 B11R1.175 O=C(O)[C@H]1CN[C@@H](C(=O)O)C1 Amb26528102 [0,1,0,1,0,0|1,0,1]=4 950 B11R1.175 O=C(O)[C@H]1C[C@H](C(=O)O)SS1 Amb27657788 [0,1,0,1,0,0|2,0,0]=4 951 B11R1.175 O=C(O)c1ccc(C(=O)O)o1 Amb2229291 [0,1,0,1,0,0|0,0,2]=4 952 B11R1.175 O=C(O)c1ccc(C(=O)O)s1 Amb1149925 [0,1,0,1,0,0|0,0,2]=4 953 B11R1.314 CC(C(=O)O)C1=NC(=O)CS1 Amb35679364 [0,1,0,1,0,0|2,0,0]=4 954 B11R1.314 CC(C(=O)O)c1ccc(Br)o1 Amb27475577 [0,1,0,1,0,0|1,0,1]=4 955 B11R1.314 CC(C(=O)O)c1ccc(Cl)o1 Amb33258313 [0,1,0,1,0,0|1,0,1]=4 956 B11R1.314 C\C(C(=O)O)=C1/C=CC(=O)O1 Amb27863403 [0,1,0,1,0,0|0,0,2]=4 957 B11R1.314 Cc1ccc(C(C)C(=O)O)o1 Amb18952039 [0,1,0,1,0,0|1,0,1]=4 958 B11R1.314 Cc1ccc(C(O)C(=O)O)o1 Amb18200290 [0,1,0,1,0,0|1,0,1]=4 959 B11R1.314 Cc1ccc([C@@H](N)C(=O)O)o1 Amb28291367 [0,1,0,1,0,0|1,0,1]=4 960 B11R1.314 NC(C(=O)O)C1CCC(=O)O1 Amb27955898 [0,1,0,1,0,0|0,0,2]=4 961 B11R1.314 NC(C(=O)O)c1ccc(Br)o1 Amb25823696 [0,1,0,1,0,0|1,0,1]=4 962 B11R1.314 NC(C(=O)O)c1ccc(Cl)o1 Amb24761476 [0,1,0,1,0,0|1,0,1]=4 963 B11R1.314 NC(C(=O)O)c1ccc(O)o1 Amb27398515 [0,1,0,1,0,0|0,0,2]=4 964 B11R1.314 NC(C(=O)O)c1coc(O)c1 Amb27644666 [0,1,0,1,0,0|2,0,0]=4 965 B11R1.314 N[C@@H](C(=O)O)c1ccc(Br)o1 Amb27259498 [0,1,0,1,0,0|1,0,1]=4 966 B11R1.314 N[C@H](C(=O)O)c1ccc(Br)o1 Amb27649611 [0,1,0,1,0,0|1,0,1]=4 967 B11R1.314 O=C(O)C(O)c1ccc(Br)o1 Amb33451980 [0,1,0,1,0,0|1,0,1]=4 968 B11R1.314 O=C(O)C(O)c1ccc(Cl)o1 Amb33258268 [0,1,0,1,0,0|1,0,1]=4 969 B11R1.667 CC1(C(=O)O)C=CCC(O)C1 Amb27964537 [0,1,0,1,0,0|1,0,1]=4 970 B11R1.667 CC1(C(=O)O)OC=CC(=O)O1 Amb27823320 [0,1,0,1,0,0|1,0,1]=4 971 B11R1.667 O=C1CCCC(O)(C(=O)O)O1 Amb27760512 [0,1,0,1,0,0|0,0,2]=4 972 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [0,1,0,1,0,0|0,0,2]=4 973 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [0,1,0,1,0,0|0,0,2]=4 974 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [0,1,0,1,0,0|0,0,2]=4 975 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb22352678 [0,1,0,1,0,0|0,0,2]=4 976 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O Amb19930360 [0,1,0,1,0,0|0,0,2]=4 977 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O Amb22388556 [0,1,0,1,0,0|0,0,2]=4 978 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [0,1,0,1,0,0|0,0,2]=4 979 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [0,1,0,1,0,0|0,0,2]=4 980 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [0,1,0,1,0,0|0,0,2]=4 981 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [0,1,0,1,0,0|0,0,2]=4 982 B11R2.47 O=C1CC2C=CC1CC2=O Amb26398890 [0,0,0,2,0,0|2,0,0]=4 983 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [0,0,0,0,2,0|2,0,0]=4 984 B7R0.6 C=C(Br)\C=C\C(=O)O Amb26530913 [0,0,0,0,2,0|2,0,0]=4 985 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [0,0,0,0,2,0|2,0,0]=4 986 B7R0.6 C=C(C)\C=C\C(=O)O Amb17593153 [0,0,0,0,2,0|2,0,0]=4 987 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [0,0,0,0,2,0|2,0,0]=4 988 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [0,0,0,0,2,0|2,0,0]=4 989 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [0,0,0,0,2,0|1,0,0]=3 990 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,0,0,0,2,0|1,0,0]=3 991 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [0,0,0,0,2,0|2,0,0]=4 992 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [0,0,0,0,2,0|2,0,0]=4 993 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [0,0,0,0,2,0|1,1,0]=4 994 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,2,0|2,0,0]=4 995 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,2,0|2,0,0]=4 996 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [0,0,0,0,2,0|1,0,0]=3 997 B7R0.6 CC(=O)\C=C\C(C)=O Amb22346013 [0,0,0,0,2,0|2,0,0]=4 998 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,2,0|2,0,0]=4 999 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [0,0,0,0,2,0|2,0,0]=4 1000 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [0,0,0,0,2,0|2,0,0]=4 1001 B7R0.6 CC(O)CCC(=O)O Amb18294804 [0,0,0,0,2,0|1,0,1]=4 1002 B7R0.6 CN(O)\C=C\C(=O)O Amb27788003 [0,0,0,0,2,0|2,0,0]=4 1003 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [0,0,0,0,2,0|2,0,0]=4 1004 B7R0.6 CS(=O)\C=C\C(=O)O Amb18642965 [0,0,0,0,2,0|2,0,0]=4 1005 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [0,0,0,0,2,0|1,0,1]=4 1006 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [0,0,0,0,2,0|2,0,0]=4 1007 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [0,0,0,0,2,0|2,0,0]=4 1008 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [0,0,0,0,2,0|1,0,0]=3 1009 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [0,0,0,0,2,0|2,0,0]=4 1010 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [0,0,0,0,2,0|2,0,0]=4 1011 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [0,0,0,0,2,0|1,0,0]=3 1012 B7R0.6 NC(=O)\C=C/C(N)=O Amb4292114 [0,0,0,0,2,0|2,0,0]=4 1013 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [0,0,0,0,2,0|1,0,0]=3 1014 B7R0.6 NC(=O)\C=C\C(N)=O Amb6334811 [0,0,0,0,2,0|2,0,0]=4 1015 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [0,0,0,0,2,0|2,0,0]=4 1016 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [0,0,0,0,2,0|1,1,0]=4 1017 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [0,0,0,0,2,0|2,0,0]=4 1018 B7R0.6 O=C(Cl)\C=C\C(=O)Cl Amb8513635 [0,0,0,0,2,0|2,0,0]=4 1019 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [0,0,0,0,2,0|0,0,2]=4 1020 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [0,0,0,0,2,0|2,0,0]=4 1021 B7R0.6 O=C(O)CCB(O)O Amb24640288 [0,0,0,0,2,0|1,0,1]=4 1022 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [0,0,0,0,2,0|0,0,0]=2 1023 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [0,0,0,0,2,0|0,0,0]=2 1024 B7R0.6 O=C(O)CCP(O)O Amb27424479 [0,0,0,0,2,0|1,0,1]=4 1025 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [0,0,0,0,2,0|1,0,0]=3 1026 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [0,0,0,0,2,0|1,0,1]=4 1027 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [0,0,0,0,2,0|1,0,1]=4 1028 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [0,0,0,0,2,0|1,1,0]=4 1029 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [0,0,0,0,2,0|2,0,0]=4 1030 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [0,0,0,0,2,0|0,0,0]=2 1031 B7R0.6 O=C(O)\C=C\B(O)O Amb27864214 [0,0,0,0,2,0|1,0,1]=4 1032 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [0,0,0,0,2,0|1,0,0]=3 1033 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [0,0,0,0,2,0|0,0,0]=2 1034 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [0,0,0,0,2,0|0,0,0]=2 1035 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [0,0,0,0,2,0|0,1,0]=3 1036 B7R0.6 O=C(O)\C=C\[N+](=O)[O-] Amb25736416 [0,0,0,0,2,0|1,0,1]=4 1037 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [0,0,0,0,2,0|0,0,2]=4 1038 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [0,0,0,0,2,0|0,0,2]=4 1039 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [0,0,0,0,2,0|0,0,1]=3 1040 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [0,0,0,0,2,0|0,0,1]=3 1041 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb20246799 [0,0,0,0,2,0|0,0,2]=4 1042 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22002520 [0,0,0,0,2,0|0,0,2]=4 1043 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22043369 [0,0,0,0,2,0|0,0,2]=4 1044 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [0,0,0,0,2,0|2,0,0]=4 1045 B11R0.30 CC(=O)OC\C=C\COC(C)=O Amb19958951 [0,0,0,0,0,2|2,0,0]=4 1046 B11R0.30 O=C(O)CCCCCCC(=O)O Amb533225 [0,0,0,0,0,2|0,0,2]=4 1047 B11R0.30 O=C(O)CCCSCCC(=O)O Amb17501237 [0,0,0,0,0,2|0,0,2]=4 1048 B11R0.30 O=C(O)CCSSCCC(=O)O Amb3941592 [0,0,0,0,0,2|0,0,2]=4 1049 B11R0.30 O=C(O)CC\C=C\CCC(=O)O Amb33986633 [0,0,0,0,0,2|0,0,0]=2 1050 B11R0.30 O=C(O)CNCCNCC(=O)O Amb8513678 [0,0,0,0,0,2|0,0,2]=4 1051 B11R0.30 O=C(O)COCCOCC(=O)O Amb6608730 [0,0,0,0,0,2|0,0,2]=4 1052 B11R0.30 O=C(O)CSCCSCC(=O)O Amb6366454 [0,0,0,0,0,2|0,0,2]=4