0 B9R0.53 C=C(C)CC(C)CC(C)=O Amb28206391 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.53 CC(=O)CC(=O)CC(C)=O Amb4018226 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.53 CC(=O)CC(C)CC(C)C Amb20621119 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.53 CC(=O)CC(C)CN(C)C Amb28252208 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.53 CC(=O)CC(O)CC(C)O Amb28202187 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.53 CC(=O)C[C@H](O)C[C@@H](C)O Amb27973069 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.53 CC(=O)C\C(C)=N\C(N)=O Amb27802503 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.53 CC(=O)NC(=O)CC(=O)O Amb24671240 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.53 CC(=O)NC(C)CC(N)=S Amb18800429 [0,0,0,0,0,0|3,1,0]=4 15 B9R0.53 CC(=O)NC(C)CS(C)=O Amb27243706 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.53 CC(=O)NC(C)NC(C)=O Amb4035096 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [0,0,0,0,0,0|3,0,0]=3 18 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.53 CC(=O)OC(C)C[N+](=O)[O-] Amb28050522 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.53 CC(=O)OC(C)OC(C)=O Amb8516628 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [0,0,0,0,0,0|2,0,0]=2 22 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.53 CC(=O)\C=C(/C)CC(C)=O Amb24647875 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.53 CC(=O)\C=C(\C)CC(C)=O Amb25719264 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.53 CC(C)CC(C)CC(=O)O Amb6749218 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.53 CC(C)CC(N)CC(=O)O Amb2438867 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.53 CC(C)CC(O)CC(=O)O Amb17232005 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.53 CC(C)CN(C)CC(=O)O Amb8900040 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631385 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631386 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.53 CC(C)C[C@@H](O)CC(=O)O Amb28050162 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb16184017 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb19944305 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.53 CC(C)C[C@H](O)CC(=O)O Amb24505145 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.53 CC(C)NC(C)CC(=O)O Amb9398367 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.53 CC(CC(=N)N)NC(N)=O Amb27839110 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.53 CC(CC(=O)Cl)CN(=O)=O Amb8391864 [0,0,0,0,0,0|2,0,1]=3 39 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,0,0,0,0,0|0,0,0]=0 40 B9R0.53 CC(CC(=O)O)CN(C)C Amb27948144 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.53 CC(CC(=O)O)CN(C)C Amb32680754 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.53 CC(CC(=O)O)NC(=N)N Amb25696242 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [0,0,0,0,0,0|2,0,0]=2 44 B9R0.53 CC(CC(=O)O)NN(C)C Amb28317947 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [0,0,0,0,0,0|2,0,0]=2 46 B9R0.53 CC(CC(N)=O)NC(N)=S Amb27796935 [0,0,0,0,0,0|3,1,0]=4 47 B9R0.53 CC(CC(N)=S)NC(N)=O Amb18183472 [0,0,0,0,0,0|3,1,0]=4 48 B9R0.53 CC(CS(C)=O)NC(=O)Cl Amb35633551 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.53 CC(C[C@H](C)O)C[C@@H](C)O Amb28453488 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.53 CC(Cl)CC(Cl)CC(=O)O Amb28436914 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.53 CC(O)CC(C)NC(N)=O Amb27227923 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.53 CN(C)CC(O)CC(=O)O Amb4477325 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.53 CN(C)C[C@H](O)CC(=O)O Amb10069803 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,0,0,0,0,0|1,0,0]=1 55 B9R0.53 CN(CC(N)=O)CC(N)=O Amb27395331 [0,0,0,0,0,0|3,0,0]=3 56 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [0,0,0,0,0,0|3,0,0]=3 57 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [0,0,0,0,0,0|1,0,0]=1 58 B9R0.53 C[C@@H](O)CN(C)CC(N)=O Amb27979416 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,0,0,0,0,0|0,0,2]=2 60 B9R0.53 C\C(=C/C(=O)O)CN(C)O Amb27459209 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,0,0,0,0,0|0,0,2]=2 62 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [0,0,0,0,0,0|2,0,0]=2 63 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [0,0,0,0,0,0|2,0,0]=2 65 B9R0.53 NC(=O)NC(=O)CC(=O)O Amb25887627 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,0,0,0,0,0|1,0,0]=1 67 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,0,0,0,0,0|1,0,0]=1 68 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [0,0,0,0,0,0|2,0,0]=2 69 B9R0.53 O=C(Cl)CC(Cl)CC(=O)Cl Amb27390104 [0,0,0,0,0,0|3,0,0]=3 70 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [0,0,0,0,0,0|1,0,1]=2 71 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [0,0,0,0,0,0|1,0,0]=1 72 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [0,0,0,0,0,0|1,0,0]=1 73 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [0,0,0,0,0,0|2,0,0]=2 74 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,0,0,0,0,0|1,0,2]=3 75 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [0,0,0,0,0,0|2,0,0]=2 76 B8R0.5 C#CCC(C)CC(C)=O Amb24707587 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.5 C#CCC(N)CC(=O)O Amb26909337 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb22746284 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb24539924 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.5 C=C(Br)CC(C)CC=O Amb27476249 [1,0,0,0,0,0|2,0,0]=3 81 B8R0.5 C=C(Br)C[C@@H](C)CC=O Amb27270886 [1,0,0,0,0,0|2,0,0]=3 82 B8R0.5 C=C=CC(C)CC(=O)O Amb27631675 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.5 C=CCC(C)CC(=O)O Amb18642628 [1,0,0,0,0,0|1,0,0]=2 84 B8R0.5 C=CCC(C)CC(C)=O Amb17593320 [1,0,0,0,0,0|2,0,0]=3 85 B8R0.5 C=CCC(C)NC(C)=O Amb28118292 [1,0,0,0,0,0|3,0,0]=4 86 B8R0.5 C=CCC(N)CC(=O)O Amb22641964 [1,0,0,0,0,0|2,0,0]=3 87 B8R0.5 C=CCC(N)CC(=O)O Amb31307622 [1,0,0,0,0,0|2,0,0]=3 88 B8R0.5 C=CCC(O)CC(=O)O Amb18642785 [1,0,0,0,0,0|2,0,0]=3 89 B8R0.5 C=CCN(C)CC(=O)O Amb9301047 [1,0,0,0,0,0|2,0,0]=3 90 B8R0.5 C=CCN(C)CC(N)=O Amb28289057 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.5 C=CC[C@@H](C)CC(C)=O Amb27974516 [1,0,0,0,0,0|2,0,0]=3 92 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb22746166 [1,0,0,0,0,0|2,0,0]=3 93 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb2699117 [1,0,0,0,0,0|2,0,0]=3 94 B8R0.5 C=CC[C@@H](O)CC(=O)O Amb28073530 [1,0,0,0,0,0|2,0,0]=3 95 B8R0.5 C=CC[C@H](N)CC(=O)O Amb2699116 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.5 C=CC[C@H](N)CC(=O)O Amb33726074 [1,0,0,0,0,0|2,0,0]=3 97 B8R0.5 C=CC[C@H](O)CC(=O)O Amb28345940 [1,0,0,0,0,0|2,0,0]=3 98 B8R0.5 C=COC(C)CC(C)=O Amb27780768 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.5 CC(=O)CC(C)CC=O Amb28076874 [1,0,0,0,0,0|1,0,0]=2 100 B8R0.5 CC(=O)CC(C)NC=O Amb24477804 [1,0,0,0,0,0|2,0,0]=3 101 B8R0.5 CC(=O)CN(C)CCO Amb10608107 [1,0,0,0,0,0|2,0,1]=4 102 B8R0.5 CC(=O)C[C@H](C)CC=O Amb27265839 [1,0,0,0,0,0|1,0,0]=2 103 B8R0.5 CC(=O)NC(C)CCO Amb27656183 [1,0,0,0,0,0|2,0,1]=4 104 B8R0.5 CC(=O)N[C@H](C)CCO Amb28454929 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.5 CC(=O)OC(C)CC=O Amb18642743 [1,0,0,0,0,0|2,0,0]=3 106 B8R0.5 CC(=O)SC(C)CC=O Amb27797287 [1,0,0,0,0,0|2,0,0]=3 107 B8R0.5 CC(=S)NC(C)CC=O Amb28368255 [1,0,0,0,0,0|2,1,0]=4 108 B8R0.5 CC(C)CC(C)CC=O Amb18642682 [1,0,0,0,0,0|2,0,1]=4 109 B8R0.5 CC(CC#N)CC(=O)O Amb18642506 [1,0,0,0,0,0|1,0,1]=3 110 B8R0.5 CC(CC(=O)Cl)N=C=O Amb28397291 [1,0,0,0,0,0|2,0,1]=4 111 B8R0.5 CC(CC(=O)O)N=C=O Amb33471303 [1,0,0,0,0,0|1,0,1]=3 112 B8R0.5 CC(CC(=O)O)N=C=S Amb33471532 [1,0,0,0,0,0|1,1,1]=4 113 B8R0.5 CC(CC(=O)O)NC#N Amb35634497 [1,0,0,0,0,0|2,0,1]=4 114 B8R0.5 CC(CC(=O)O)NC=O Amb18967805 [1,0,0,0,0,0|1,0,0]=2 115 B8R0.5 CC(CC(N)=S)NC=O Amb27661366 [1,0,0,0,0,0|2,1,0]=4 116 B8R0.5 CC(CC=O)CN(=O)=O Amb8391644 [1,0,0,0,0,0|1,0,1]=3 117 B8R0.5 CC(CC=O)CN(C)C Amb28437243 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.5 CC(CC=O)NC(N)=O Amb27881145 [1,0,0,0,0,0|2,0,0]=3 119 B8R0.5 CC(CCF)CC(=O)O Amb24477914 [1,0,0,0,0,0|1,0,1]=3 120 B8R0.5 CC(CCN)CC(=O)O Amb20667689 [1,0,0,0,0,0|1,0,1]=3 121 B8R0.5 CC(CCN)CC(=O)O Amb24376646 [1,0,0,0,0,0|1,0,1]=3 122 B8R0.5 CC(CCN)C[PH](=O)O Amb28250150 [1,0,0,0,0,0|2,0,1]=4 123 B8R0.5 CC(CCO)CC(=O)O Amb18642882 [1,0,0,0,0,0|0,0,1]=2 124 B8R0.5 CC(O)CC(C)CCO Amb27970261 [1,0,0,0,0,0|1,0,2]=4 125 B8R0.5 CC(O)OC(C)CC=O Amb27827462 [1,0,0,0,0,0|2,0,1]=4 126 B8R0.5 CCCC(C)CC(=O)O Amb6749227 [1,0,0,0,0,0|1,0,1]=3 127 B8R0.5 CCCC(C)CC(C)=O Amb22229841 [1,0,0,0,0,0|2,0,1]=4 128 B8R0.5 CCCC(C)CC(N)=O Amb25146057 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.5 CCCC(N)CC(=O)O Amb1993864 [1,0,0,0,0,0|2,0,1]=4 130 B8R0.5 CCCC(O)CC(=O)O Amb2699832 [1,0,0,0,0,0|2,0,1]=4 131 B8R0.5 CCCN(C)CC(=O)O Amb19373314 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.5 CCCN(C)CC(=O)O Amb8899167 [1,0,0,0,0,0|2,0,1]=4 133 B8R0.5 CCC[C@@H](N)CC(=O)O Amb22225223 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.5 CCC[C@@H](N)CC(=O)O Amb24739278 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.5 CCC[C@@H](O)CC(=O)O Amb25188904 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.5 CCC[C@H](C)CC(=O)O Amb10844381 [1,0,0,0,0,0|1,0,1]=3 137 B8R0.5 CCC[C@H](N)CC(=O)O Amb22226359 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.5 CCC[C@H](N)CC(=O)O Amb27464904 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.5 CCC[C@H](O)CC(=O)O Amb25367955 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.5 CCNC(C)CC(=O)O Amb13952759 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.5 CCNC(C)CC(=O)O Amb9398369 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.5 CCOC(C)CC(=O)O Amb9397849 [1,0,0,0,0,0|2,0,1]=4 143 B8R0.5 CCSC(C)CC(=O)O Amb9398136 [1,0,0,0,0,0|2,0,1]=4 144 B8R0.5 CN(CC#N)CC(=O)O Amb9301061 [1,0,0,0,0,0|2,0,1]=4 145 B8R0.5 CN(CC=O)CC(N)=O Amb28041288 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.5 CN(CCN)CC(=O)O Amb18313585 [1,0,0,0,0,0|2,0,1]=4 147 B8R0.5 CN(CCN)CC(=O)O Amb32701580 [1,0,0,0,0,0|2,0,1]=4 148 B8R0.5 CN(CCO)CC(=O)O Amb5767486 [1,0,0,0,0,0|1,0,1]=3 149 B8R0.5 CNCC(O)CC(=O)O Amb28423259 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.5 CNCC(O)CC(=O)O Amb32661843 [1,0,0,0,0,0|3,0,0]=4 151 B8R0.5 CNC[C@H](N)CC(=O)O Amb27798881 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.5 COCC(C)CC(=O)O Amb19024342 [1,0,0,0,0,0|2,0,0]=3 153 B8R0.5 COCC(C)CC(C)=O Amb27464321 [1,0,0,0,0,0|3,0,0]=4 154 B8R0.5 COCC(C)CC(N)=O Amb27860801 [1,0,0,0,0,0|3,0,0]=4 155 B8R0.5 COCC(N)CC(=O)O Amb26641146 [1,0,0,0,0,0|3,0,0]=4 156 B8R0.5 COCC(O)CC(=O)O Amb18832518 [1,0,0,0,0,0|3,0,0]=4 157 B8R0.5 COC[C@@H](O)CC(=O)O Amb33428853 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.5 COC[C@H](N)CC(=O)O Amb33038388 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.5 COC[C@H](N)CC(=O)O Amb33330661 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.5 COC[C@H](O)CC(=O)O Amb33428852 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.5 CONC(C)CC(=O)O Amb26844930 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.5 CPCC(N)CC(=O)O Amb27184896 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.5 CSCC(C)CC(=O)O Amb33273729 [1,0,0,0,0,0|2,0,0]=3 164 B8R0.5 CSCC(N)CC(=O)O Amb25960719 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.5 CSCC(O)CC(=O)O Amb24621046 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.5 CSC[C@@H](N)CC(=O)O Amb27961000 [1,0,0,0,0,0|3,0,0]=4 167 B8R0.5 CSC[C@@H](O)CC(=O)O Amb33271747 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.5 CSC[C@H](O)CC(=O)O Amb33271746 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.5 C[C@@H](CC(=O)O)N=[N+]=[N-] Amb27657105 [1,0,0,0,0,0|3,0,0]=4 170 B8R0.5 C[C@@H](O)C[C@H](C)CCO Amb27766934 [1,0,0,0,0,0|1,0,2]=4 171 B8R0.5 C[C@H](CC(=O)O)N=C=O Amb33471360 [1,0,0,0,0,0|1,0,1]=3 172 B8R0.5 C[C@H](CC(=O)O)N=C=S Amb33471590 [1,0,0,0,0,0|1,1,1]=4 173 B8R0.5 C[C@H](CCO)CC(=O)O Amb27461411 [1,0,0,0,0,0|0,0,1]=2 174 B8R0.5 C[C@H](O)C[C@@H](C)CCO Amb27598607 [1,0,0,0,0,0|1,0,2]=4 175 B8R0.5 C\C=C\C(N)CC(=O)O Amb25975538 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.5 C\C=C\C(O)CC(=O)O Amb8398291 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.5 C\C=C\[C@@H](C)CC(C)=O Amb27598952 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.5 C\C=C\[C@H](C)CC(=O)O Amb28047718 [1,0,0,0,0,0|1,0,1]=3 179 B8R0.5 C\C=C\[C@H](C)CC(C)=O Amb28246522 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.5 N#CCC(O)CC(=O)O Amb27249794 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.5 NC(=O)CS(=O)CC=O Amb28246278 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.5 NC(CCF)CC(=O)O Amb33038391 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.5 NCCC(N)CC(=O)O Amb26043872 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.5 NCCC(O)CC(=O)O Amb27882021 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.5 NCCC(O)CC(=O)O Amb31031000 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.5 NCC[C@H](N)CC(=O)O Amb10067021 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.5 NCC[C@H](N)CC(=O)O Amb35750363 [1,0,0,0,0,0|2,0,1]=4 188 B8R0.5 N[C@H](CCO)CC(=O)O Amb27169169 [1,0,0,0,0,0|1,0,1]=3 189 B8R0.5 O=C(O)CC(O)CCF Amb33196428 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.5 O=C(O)CC(O)CCO Amb31031042 [1,0,0,0,0,0|1,0,1]=3 191 B8R0.5 O=C(O)CC(O)CNO Amb28044304 [1,0,0,0,0,0|2,0,0]=3 192 B8R0.5 O=C(O)C[C@@H](O)CCF Amb33196426 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.5 O=C(O)C[C@H](O)CCF Amb33196427 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [1,0,0,0,0,0|2,0,0]=3 195 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.28 C=C(Cl)CCCC(N)=O Amb27253854 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [1,0,0,0,0,0|2,0,0]=3 200 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,0|1,0,0]=2 201 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,0|2,0,0]=3 202 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,0|2,0,0]=3 203 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [1,0,0,0,0,0|2,0,1]=4 204 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [1,0,0,0,0,0|3,0,0]=4 205 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [1,0,0,0,0,0|2,0,0]=3 207 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [1,0,0,0,0,0|2,0,0]=3 214 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [1,0,0,0,0,0|3,0,0]=4 215 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [1,0,0,0,0,0|2,0,0]=3 217 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [1,0,0,0,0,0|1,0,2]=4 218 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [1,0,0,0,0,0|1,0,1]=3 224 B8R0.28 CC(O)CCCC(=O)[O-] Amb17615415 [1,0,0,0,0,0|1,0,2]=4 225 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [1,0,0,0,0,0|2,0,1]=4 226 B8R0.28 CC(O)COCC(=O)O Amb27968624 [1,0,0,0,0,0|2,0,1]=4 227 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [1,0,0,0,0,0|2,0,1]=4 228 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [1,0,0,0,0,0|3,0,0]=4 229 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [1,0,0,0,0,0|3,0,0]=4 231 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [1,0,0,0,0,0|3,0,0]=4 232 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [1,0,0,0,0,0|3,0,0]=4 233 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [1,0,0,0,0,0|1,0,0]=2 235 B8R0.28 NC(=O)CCC[N+](=O)[O-] Amb22432425 [1,0,0,0,0,0|2,0,1]=4 236 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [1,0,0,0,0,0|3,0,0]=4 237 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [1,0,0,0,0,0|3,0,0]=4 238 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [1,0,0,0,0,0|2,0,0]=3 239 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [1,0,0,0,0,0|3,0,0]=4 240 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [1,0,0,0,0,0|2,0,0]=3 241 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [1,0,0,0,0,0|3,0,0]=4 242 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [1,0,0,0,0,0|2,0,0]=3 243 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [1,0,0,0,0,0|2,0,0]=3 245 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [1,0,0,0,0,0|1,1,0]=3 246 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [1,0,0,0,0,0|2,1,0]=4 247 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [1,0,0,0,0,0|2,1,0]=4 248 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [1,0,0,0,0,0|2,0,0]=3 249 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [1,0,0,0,0,0|3,0,0]=4 250 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [1,0,0,0,0,0|0,0,3]=4 251 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [1,0,0,0,0,0|0,0,0]=1 252 B8R0.28 O=C(O)CCCC(F)F Amb24117996 [1,0,0,0,0,0|2,0,1]=4 253 B8R0.28 O=C(O)CCCN(Cl)Cl Amb28313437 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [1,0,0,0,0,0|1,0,1]=3 255 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [1,0,0,0,0,0|2,0,1]=4 256 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [1,0,0,0,0,0|1,0,0]=2 257 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [1,0,0,0,0,0|1,0,0]=2 258 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [1,0,0,0,0,0|1,0,0]=2 259 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [1,0,0,0,0,0|0,0,2]=3 260 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [1,0,0,0,0,0|0,0,2]=3 261 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [1,0,0,0,0,0|1,0,1]=3 262 B10R0.13 C=C(Br)CN(C)C(C)C(=O)O Amb18311241 [0,1,0,0,0,0|3,0,0]=4 263 B10R0.13 C=C(C)CN(C)C(C)C(=O)O Amb19026442 [0,1,0,0,0,0|3,0,0]=4 264 B10R0.13 C=C(Cl)CN(C)C(C)C(=O)O Amb18311329 [0,1,0,0,0,0|3,0,0]=4 265 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Amb18645031 [0,1,0,0,0,0|1,0,0]=2 266 B10R0.13 CC(=O)C(F)\C(C)=C\C(=O)O Amb28421734 [0,1,0,0,0,0|1,0,2]=4 267 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [0,1,0,0,0,0|1,0,0]=2 268 B10R0.13 CC(=O)CC(C)C(Cl)C(C)=O Amb27990141 [0,1,0,0,0,0|2,0,0]=3 269 B10R0.13 CC(=O)CN(C)C(C)C(C)=O Amb27672299 [0,1,0,0,0,0|3,0,0]=4 270 B10R0.13 CC(=O)N(C)C(C)CC(=O)O Amb18224393 [0,1,0,0,0,0|2,0,0]=3 271 B10R0.13 CC(=O)NC(C)C(C)C(=O)O Amb28137397 [0,1,0,0,0,0|2,0,0]=3 272 B10R0.13 CC(=O)NN(C)C(C)C(=O)O Amb25892464 [0,1,0,0,0,0|3,0,0]=4 273 B10R0.13 CC(=O)N[C@@H](C)[C@H](O)C(=O)O Amb27477763 [0,1,0,0,0,0|2,0,0]=3 274 B10R0.13 CC(=O)OC(C)C(Cl)C(C)=O Amb24764874 [0,1,0,0,0,0|3,0,0]=4 275 B10R0.13 CC(=O)OC(C)C(N)C(=O)O Amb25385009 [0,1,0,0,0,0|2,0,0]=3 276 B10R0.13 CC(=O)OC(C)C(O)C(C)=O Amb27672515 [0,1,0,0,0,0|3,0,0]=4 277 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(=O)O Amb22747815 [0,1,0,0,0,0|2,0,0]=3 278 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O Amb27272567 [0,1,0,0,0,0|2,0,0]=3 279 B10R0.13 CC(C(=O)O)S(=O)CC(N)=O Amb18304636 [0,1,0,0,0,0|3,0,0]=4 280 B10R0.13 CC(C(N)=O)N(C)CC(N)=O Amb18179876 [0,1,0,0,0,0|3,0,0]=4 281 B10R0.13 CC(C(N)=O)S(=O)CC(=O)O Amb18305129 [0,1,0,0,0,0|3,0,0]=4 282 B10R0.13 CC(C)C(C)C(C)CC(=O)O Amb27000233 [0,1,0,0,0,0|2,0,1]=4 283 B10R0.13 CC(C)C(F)C(C)CC(=O)O Amb27989459 [0,1,0,0,0,0|2,0,1]=4 284 B10R0.13 CC(C)C(O)C(C)CC(=O)O Amb18797772 [0,1,0,0,0,0|2,0,1]=4 285 B10R0.13 CC(C)CC(C)C(C)C(=O)O Amb26998835 [0,1,0,0,0,0|2,0,1]=4 286 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb25384855 [0,1,0,0,0,0|2,0,1]=4 287 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb33329315 [0,1,0,0,0,0|2,0,1]=4 288 B10R0.13 CC(C)CC(C)C(O)C(=O)O Amb27492041 [0,1,0,0,0,0|2,0,1]=4 289 B10R0.13 CC(C)CC(C)[C@@H](C)C(=O)O Amb33727253 [0,1,0,0,0,0|2,0,1]=4 290 B10R0.13 CC(C)CC(C)[C@@H](N)C(=O)O Amb27671005 [0,1,0,0,0,0|2,0,1]=4 291 B10R0.13 CC(C)CC(C)[C@H](C)C(=O)O Amb33744624 [0,1,0,0,0,0|2,0,1]=4 292 B10R0.13 CC(C)CC(C)[C@H](N)C(=O)O Amb27671004 [0,1,0,0,0,0|2,0,1]=4 293 B10R0.13 CC(CC(=O)O)C(C)C(=O)O Amb4009129 [0,1,0,0,0,0|0,0,0]=1 294 B10R0.13 CC(CC(=O)O)C(C)N(C)C Amb18830326 [0,1,0,0,0,0|3,0,0]=4 295 B10R0.13 CC(CC(=O)O)C(Cl)=C(Cl)Cl Amb28287355 [0,1,0,0,0,0|2,0,1]=4 296 B10R0.13 CC(CC(=O)O)C(N)C(=O)O Amb23440872 [0,1,0,0,0,0|0,0,0]=1 297 B10R0.13 CC(CC(=O)O)C(N)C(N)=O Amb27989322 [0,1,0,0,0,0|1,0,0]=2 298 B10R0.13 CC(CC(=O)O)N(C)C(N)=O Amb18830285 [0,1,0,0,0,0|2,0,0]=3 299 B10R0.13 CC(CC(=O)O)[C@H](N)C(=O)O Amb26990553 [0,1,0,0,0,0|0,0,0]=1 300 B10R0.13 CC(CC(N)=O)C(N)C(=O)O Amb27989323 [0,1,0,0,0,0|1,0,0]=2 301 B10R0.13 CC(CC(N)=O)N(C)C(N)=O Amb27989315 [0,1,0,0,0,0|3,0,0]=4 302 B10R0.13 CC(CN(C)C)C(N)C(=O)O Amb33066048 [0,1,0,0,0,0|3,0,0]=4 303 B10R0.13 CC(CN(C)C)[C@@H](N)C(=O)O Amb33036586 [0,1,0,0,0,0|3,0,0]=4 304 B10R0.13 CC(CN(C)C)[C@H](N)C(=O)O Amb33066275 [0,1,0,0,0,0|3,0,0]=4 305 B10R0.13 CC(NC(=N)N)C(N)C(=O)O Amb28239770 [0,1,0,0,0,0|3,0,0]=4 306 B10R0.13 CC(NS(C)=O)C(C)C(=O)O Amb27272526 [0,1,0,0,0,0|3,0,0]=4 307 B10R0.13 CC(O)CN(C)C(C)C(=O)O Amb19021865 [0,1,0,0,0,0|2,0,1]=4 308 B10R0.13 CC(OC(N)=O)C(N)C(=O)O Amb26082810 [0,1,0,0,0,0|2,0,0]=3 309 B10R0.13 CC(SC(=N)N)C(Cl)C(=O)O Amb27990077 [0,1,0,0,0,0|3,0,0]=4 310 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O Amb26660524 [0,1,0,0,0,0|1,0,1]=3 311 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O Amb19133152 [0,1,0,0,0,0|0,0,0]=1 312 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O Amb28388115 [0,1,0,0,0,0|0,0,0]=1 313 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O Amb28388114 [0,1,0,0,0,0|0,0,0]=1 314 B10R0.13 C[C@H](O)[C@H](O)[C@@H](O)CC(=O)O Amb27990155 [0,1,0,0,0,0|2,0,1]=4 315 B10R0.13 C\C(=C/C(=O)O)C(O)C(=O)O Amb28119844 [0,1,0,0,0,0|0,0,2]=3 316 B10R0.13 C\C(C(=O)O)=C(\Cl)CC(=O)O Amb28077775 [0,1,0,0,0,0|1,0,2]=4 317 B10R0.13 NC(=O)CC(O)C(N)C(N)=O Amb28080520 [0,1,0,0,0,0|3,0,0]=4 318 B10R0.13 NC(=O)C[C@@H](O)[C@@H](N)C(=O)O Amb27990186 [0,1,0,0,0,0|2,0,0]=3 319 B10R0.13 NC(=O)[C@@H](N)[C@H](O)CC(=O)O Amb27990184 [0,1,0,0,0,0|2,0,0]=3 320 B10R0.13 NC(=O)[C@H](N)[C@H](O)CC(=O)O Amb27990185 [0,1,0,0,0,0|2,0,0]=3 321 B10R0.13 NC(C(=O)O)C(O)CC(=O)O Amb25383245 [0,1,0,0,0,0|1,0,0]=2 322 B10R0.13 NC(C(=O)O)\C(Cl)=C\C(=O)O Amb24374819 [0,1,0,0,0,0|1,0,2]=4 323 B10R0.13 NC(CC(=O)O)C(O)C(=O)O Amb26083654 [0,1,0,0,0,0|1,0,0]=2 324 B10R0.13 NC(CC(=O)O)[C@H](N)C(=O)O Amb24764806 [0,1,0,0,0,0|1,0,0]=2 325 B10R0.13 N[C@@H](C(=O)O)[C@@H](O)CC(=O)O Amb27990015 [0,1,0,0,0,0|1,0,0]=2 326 B10R0.13 N[C@H](C(=O)O)C(F)CC(=O)O Amb26083316 [0,1,0,0,0,0|1,0,0]=2 327 B10R0.13 O=C(O)CC(Br)C(=O)C(=O)O Amb33756838 [0,1,0,0,0,0|1,0,1]=3 328 B10R0.31 CC(CC(=O)O)CC(C)(C)C Amb2720439 [0,1,0,0,0,0|2,0,1]=4 329 B10R0.31 CC(CC(=O)O)CC(F)(F)F Amb18266754 [0,1,0,0,0,0|2,0,1]=4 330 B10R0.31 CC(CC(=O)O)CS(C)(=O)=O Amb33056371 [0,1,0,0,0,0|1,0,1]=3 331 B10R0.31 CC(CC(=O)O)NS(N)(=O)=O Amb27987772 [0,1,0,0,0,0|2,0,1]=4 332 B10R0.31 CC(CC(=O)O)OS(=O)(=O)F Amb27990172 [0,1,0,0,0,0|2,0,1]=4 333 B10R0.31 CN(CC(=O)O)CP(=O)(O)O Amb3374264 [0,1,0,0,0,0|2,0,0]=3 334 B10R0.31 CS(=O)(=O)CC(N)CC(=O)O Amb27001221 [0,1,0,0,0,0|2,0,1]=4 335 B10R0.31 CS(=O)(=O)CC(O)CC(=O)O Amb33056364 [0,1,0,0,0,0|2,0,1]=4 336 B10R0.31 CS(=O)(=O)C[C@@H](O)CC(=O)O Amb33481788 [0,1,0,0,0,0|2,0,1]=4 337 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Amb33055950 [0,1,0,0,0,0|2,0,1]=4 338 B10R0.31 NC(CC(=O)O)CP(=O)(O)O Amb27990151 [0,1,0,0,0,0|2,0,0]=3 339 B10R0.44 C#CC(=O)NC(C)CC(C)=O Amb27981375 [0,1,0,0,0,0|3,0,0]=4 340 B10R0.44 C=C(C)CC(C)NC(=O)OC Amb27673623 [0,1,0,0,0,0|3,0,0]=4 341 B10R0.44 CC(CC(N)=O)NC(=O)NN Amb27241135 [0,1,0,0,0,0|3,0,0]=4 342 B10R0.44 CC(CC(N)=O)N\C(N)=N\O Amb27968682 [0,1,0,0,0,0|3,0,0]=4 343 B10R0.44 CC(O)CC(C)NC(=O)CO Amb28326403 [0,1,0,0,0,0|2,0,1]=4 344 B10R0.44 CCC(=O)NC(C)CC(C)=O Amb28326445 [0,1,0,0,0,0|3,0,0]=4 345 B10R0.44 CCC(N)CC(C)CC(=O)O Amb32669801 [0,1,0,0,0,0|2,0,1]=4 346 B10R0.44 CN(CC(=O)O)C\C(Cl)=C\Cl Amb27271668 [0,1,0,0,0,0|3,0,0]=4 347 B10R0.44 CNC(=O)CN(C)CC(N)=O Amb18800097 [0,1,0,0,0,0|3,0,0]=4 348 B10R0.44 CNC(=O)CS(=O)CC(=O)O Amb18796112 [0,1,0,0,0,0|3,0,0]=4 349 B10R0.44 CNC(=O)NC(C)CC(=O)O Amb18290552 [0,1,0,0,0,0|2,0,0]=3 350 B10R0.44 COC(=O)CC(=O)CC(C)=O Amb18048464 [0,1,0,0,0,0|2,0,1]=4 351 B10R0.44 COC(=O)CC(C)CC(=O)O Amb2689808 [0,1,0,0,0,0|0,0,0]=1 352 B10R0.44 COC(=O)CC(C)CC(C)=O Amb32668276 [0,1,0,0,0,0|1,0,0]=2 353 B10R0.44 COC(=O)CC(C)C[N+](=O)[O-] Amb20623014 [0,1,0,0,0,0|1,0,1]=3 354 B10R0.44 COC(=O)CC(C)NC(=N)N Amb27266639 [0,1,0,0,0,0|3,0,0]=4 355 B10R0.44 COC(=O)CC(C)NC(N)=O Amb27266623 [0,1,0,0,0,0|2,0,0]=3 356 B10R0.44 COC(=O)CC(C)NC(N)=S Amb27266634 [0,1,0,0,0,0|2,1,0]=4 357 B10R0.44 COC(=O)CN(C)CC(C)O Amb18788067 [0,1,0,0,0,0|2,0,1]=4 358 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33621255 [0,1,0,0,0,0|1,0,0]=2 359 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33747103 [0,1,0,0,0,0|1,0,0]=2 360 B10R0.44 COC(=O)C\C(C)=C\C(C)=O Amb27673551 [0,1,0,0,0,0|1,0,2]=4 361 B10R0.44 COC(=O)NC(C)CC(=N)N Amb27987112 [0,1,0,0,0,0|3,0,0]=4 362 B10R0.44 COC(=O)NC(C)CC(C)=O Amb27271970 [0,1,0,0,0,0|2,0,0]=3 363 B10R0.44 COC(=O)NC(C)CC(C)O Amb27818477 [0,1,0,0,0,0|2,0,1]=4 364 B10R0.44 COC(=O)\C=C(/C)CC(C)=O Amb27672315 [0,1,0,0,0,0|1,0,2]=4 365 B10R0.44 CSC(=S)N[C@H](C)CC(=O)O Amb27988483 [0,1,0,0,0,0|1,2,0]=4 366 B10R0.44 C\C(=C/Cl)CN(C)CC(=O)O Amb27987989 [0,1,0,0,0,0|3,0,0]=4 367 B10R0.70 CC(C)=CC(CN)CC(=O)O Amb22054874 [0,1,0,0,0,0|2,0,1]=4 368 B10R0.70 CC(C)CC(CN)CC(=O)O Amb2697343 [0,1,0,0,0,0|2,0,1]=4 369 B10R0.70 CC(C)C[C@@H](CN)CC(=O)O Amb2236275 [0,1,0,0,0,0|2,0,1]=4 370 B10R0.70 CC(C)C[C@H](CN)CC(=O)O Amb22224989 [0,1,0,0,0,0|2,0,1]=4 371 B10R0.70 CCC(CC(=O)O)CC(=O)O Amb33172175 [0,1,0,0,0,0|0,0,0]=1 372 B10R0.70 CCC(CC(=O)O)CC(C)C Amb32412865 [0,1,0,0,0,0|2,0,1]=4 373 B10R0.70 CCC(CC(=O)O)CN(C)C Amb33329067 [0,1,0,0,0,0|3,0,0]=4 374 B10R0.70 CCC(CC(=O)O)CN(C)C Amb33329278 [0,1,0,0,0,0|3,0,0]=4 375 B10R0.70 CCC(CC(=O)O)NC(C)=O Amb25384609 [0,1,0,0,0,0|2,0,0]=3 376 B10R0.70 CC[C@H](CC(=O)O)NC(C)=O Amb27272274 [0,1,0,0,0,0|2,0,0]=3 377 B10R0.70 CC\C(=C/C(=O)O)CC(=O)O Amb27990198 [0,1,0,0,0,0|0,0,2]=3 378 B10R0.70 CC\C(=C\C(=O)O)CC(=O)O Amb27990169 [0,1,0,0,0,0|0,0,2]=3 379 B10R0.70 CNN(CC(=O)O)CC(=O)O Amb24101394 [0,1,0,0,0,0|1,0,0]=2 380 B10R0.70 CO\C(=C/C(=O)O)CC(=O)O Amb27990199 [0,1,0,0,0,0|0,0,2]=3 381 B10R0.70 CO\C(=C\C(=O)O)CC(=O)O Amb27990171 [0,1,0,0,0,0|0,0,2]=3 382 B10R0.70 O=C(O)CC(CF)CC(=O)O Amb33379251 [0,1,0,0,0,0|0,0,0]=1 383 B10R0.165 C=C(C)CC(C)(C)CC(C)=O Amb27271689 [0,1,0,0,0,0|3,0,0]=4 384 B10R0.165 C=C(C)CC(C)(O)CC(C)=O Amb27672678 [0,1,0,0,0,0|3,0,0]=4 385 B10R0.165 CC(=O)CC(C)(C)CC(=O)O Amb9782556 [0,1,0,0,0,0|1,0,0]=2 386 B10R0.165 CC(=O)CC(C)(C)CC(C)=O Amb27672532 [0,1,0,0,0,0|2,0,0]=3 387 B10R0.165 CC(=O)CC(C)(C)C[N+](=O)[O-] Amb4005041 [0,1,0,0,0,0|2,0,1]=4 388 B10R0.165 CC(=O)CC(C)(C)NC(C)=O Amb9781755 [0,1,0,0,0,0|3,0,0]=4 389 B10R0.165 CC(=O)CC(C)(C)SC(C)=O Amb27672415 [0,1,0,0,0,0|3,0,0]=4 390 B10R0.165 CC(=O)CP(C)(=O)CC(C)=O Amb27672592 [0,1,0,0,0,0|3,0,0]=4 391 B10R0.165 CC(=O)NC(C)(C)CC(=O)O Amb22360340 [0,1,0,0,0,0|2,0,0]=3 392 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Amb6608976 [0,1,0,0,0,0|0,0,0]=1 393 B10R0.165 CC(C)(CC(=O)O)CC(F)F Amb32676809 [0,1,0,0,0,0|2,0,1]=4 394 B10R0.165 CC(C)(CC(=O)O)C[N+](=O)[O-] Amb24766161 [0,1,0,0,0,0|1,0,1]=3 395 B10R0.165 CC(C)(CC(=O)O)NC(N)=O Amb27260802 [0,1,0,0,0,0|2,0,0]=3 396 B10R0.165 CC(C)(CC(N)=O)CC(N)=O Amb27266829 [0,1,0,0,0,0|2,0,0]=3 397 B10R0.165 CC(C)(CC(N)=O)NC(N)=O Amb27457834 [0,1,0,0,0,0|3,0,0]=4 398 B10R0.165 CC(C)CC(C)(C)CC(=O)O Amb26998836 [0,1,0,0,0,0|2,0,1]=4 399 B10R0.165 CC(C)CC(C)(N)CC(=O)O Amb28387361 [0,1,0,0,0,0|2,0,1]=4 400 B10R0.165 CC(C)CC(C)(N)CC(=O)O Amb32680407 [0,1,0,0,0,0|2,0,1]=4 401 B10R0.165 CC(C)CC(C)(O)CC(=O)O Amb18310712 [0,1,0,0,0,0|2,0,1]=4 402 B10R0.165 CC(O)(CC(=O)O)CC(=O)O Amb5719671 [0,1,0,0,0,0|0,0,0]=1 403 B10R0.165 CN(C)CC(C)(C)CC(=O)O Amb24116873 [0,1,0,0,0,0|3,0,0]=4 404 B10R0.165 CS(=O)NC(C)(C)CC(=O)O Amb27272520 [0,1,0,0,0,0|3,0,0]=4 405 B10R0.165 C[N+](C)(CC(=O)[O-])CC(=O)O Amb27001065 [0,1,0,0,0,0|1,0,1]=3 406 B10R0.165 NC(=O)CS(=O)(=O)CC(=O)O Amb6257847 [0,1,0,0,0,0|3,0,0]=4 407 B10R0.165 O=C(O)CC(Cl)(Cl)CC(=O)O Amb4014518 [0,1,0,0,0,0|1,0,0]=2 408 B10R0.165 O=C(O)CC(F)(F)CC(=O)O Amb1149070 [0,1,0,0,0,0|1,0,0]=2 409 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O Amb6364794 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.54 C=C(C)CC1CNC(=O)C1 Amb28074648 [0,0,0,1,0,0|3,0,0]=4 411 B10R1.54 C=C1CCN(CC(=O)O)C1 Amb30028134 [0,0,0,1,0,0|3,0,0]=4 412 B10R1.54 CC(=O)CC1=NOC(=O)C1 Amb27638501 [0,0,0,1,0,0|2,0,1]=4 413 B10R1.54 CC(=O)CC1CCC(=O)C1 Amb28122070 [0,0,0,1,0,0|2,0,0]=3 414 B10R1.54 CC(=O)CC1CCC(=O)N1 Amb18831756 [0,0,0,1,0,0|3,0,0]=4 415 B10R1.54 CC(=O)NC1CCC(=O)C1 Amb27425009 [0,0,0,1,0,0|3,0,0]=4 416 B10R1.54 CC(=O)NC1CNC(=O)C1 Amb27246003 [0,0,0,1,0,0|3,0,0]=4 417 B10R1.54 CC(=O)OC1COC(=O)C1 Amb22730362 [0,0,0,1,0,0|2,0,0]=3 418 B10R1.54 CC(=O)O[C@@H]1COC(=O)C1 Amb8516055 [0,0,0,1,0,0|2,0,0]=3 419 B10R1.54 CC(=O)O[C@H]1COC(=O)C1 Amb22225179 [0,0,0,1,0,0|2,0,0]=3 420 B10R1.54 CC(=O)SC1CNC(=O)C1 Amb27411796 [0,0,0,1,0,0|3,0,0]=4 421 B10R1.54 CC(=O)S[C@H]1CCC(=O)C1 Amb27750249 [0,0,0,1,0,0|3,0,0]=4 422 B10R1.54 CC(=O)S[C@H]1CNC(=O)C1 Amb24592595 [0,0,0,1,0,0|3,0,0]=4 423 B10R1.54 CC(C)CC1COC(=O)C1 Amb27638023 [0,0,0,1,0,0|2,0,1]=4 424 B10R1.54 CC(C)C[C@@H]1COC(=O)C1 Amb8388939 [0,0,0,1,0,0|2,0,1]=4 425 B10R1.54 CC(O)CC1COC(=O)N1 Amb27614205 [0,0,0,1,0,0|2,0,1]=4 426 B10R1.54 CC1=NOC(CC(=O)O)C1 Amb5721477 [0,0,0,1,0,0|3,0,0]=4 427 B10R1.54 CC1CC(CC(=O)O)CO1 Amb29866066 [0,0,0,1,0,0|1,0,1]=3 428 B10R1.54 CC1CC(CC(=O)O)CS1 Amb28318997 [0,0,0,1,0,0|1,1,1]=4 429 B10R1.54 CC1CCC(CC(=O)O)C1 Amb18643912 [0,0,0,1,0,0|2,0,1]=4 430 B10R1.54 CN1CCC(CC(=O)O)C1 Amb33550954 [0,0,0,1,0,0|3,0,0]=4 431 B10R1.54 CN1CCC(CC(=O)O)C1 Amb8009899 [0,0,0,1,0,0|3,0,0]=4 432 B10R1.54 C[C@@H]1CCC(CC(=O)O)C1 Amb27436927 [0,0,0,1,0,0|2,0,1]=4 433 B10R1.54 NC(=O)CC1CC(=O)NN1 Amb35694043 [0,0,0,1,0,0|3,0,0]=4 434 B10R1.54 N[C@@H]1CC[C@@H](CC(=O)O)C1 Amb10066890 [0,0,0,1,0,0|2,0,1]=4 435 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb10066892 [0,0,0,1,0,0|2,0,1]=4 436 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb35745836 [0,0,0,1,0,0|2,0,1]=4 437 B10R1.54 N[C@H]1CC[C@@H](CC(=O)O)C1 Amb10066912 [0,0,0,1,0,0|2,0,1]=4 438 B10R1.54 O=C(Cl)CC1CCC(=O)C1 Amb27614921 [0,0,0,1,0,0|2,0,0]=3 439 B10R1.54 O=C(O)CC1=CC(=O)CC1 Amb27813115 [0,0,0,1,0,0|1,0,2]=4 440 B10R1.54 O=C(O)CC1=CC(=O)OC1 Amb27615054 [0,0,0,1,0,0|0,0,2]=3 441 B10R1.54 O=C(O)CC1=CC(=O)ON1 Amb28348890 [0,0,0,1,0,0|1,0,2]=4 442 B10R1.54 O=C(O)CC1=NNC(=O)C1 Amb8826416 [0,0,0,1,0,0|2,0,1]=4 443 B10R1.54 O=C(O)CC1=NOC(=O)C1 Amb18202495 [0,0,0,1,0,0|1,0,1]=3 444 B10R1.54 O=C(O)CC1C=CC(O)C1 Amb27175394 [0,0,0,1,0,0|1,0,2]=4 445 B10R1.54 O=C(O)CC1CC(=O)CN1 Amb27860610 [0,0,0,1,0,0|2,0,0]=3 446 B10R1.54 O=C(O)CC1CC(O)CN1 Amb25082530 [0,0,0,1,0,0|2,0,1]=4 447 B10R1.54 O=C(O)CC1CCC(=O)C1 Amb18643816 [0,0,0,1,0,0|1,0,0]=2 448 B10R1.54 O=C(O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,0,0|2,0,0]=3 449 B10R1.54 O=C(O)CC1CCC(=O)O1 Amb6316138 [0,0,0,1,0,0|2,0,0]=3 450 B10R1.54 O=C(O)CC1CCC(F)C1 Amb24679226 [0,0,0,1,0,0|2,0,1]=4 451 B10R1.54 O=C(O)CC1CCC(O)C1 Amb33545095 [0,0,0,1,0,0|1,0,1]=3 452 B10R1.54 O=C(O)CC1CNC(=O)C1 Amb18831602 [0,0,0,1,0,0|1,0,0]=2 453 B10R1.54 O=C(O)CC1COC(=O)C1 Amb20669416 [0,0,0,1,0,0|0,0,0]=1 454 B10R1.54 O=C(O)CC1COC(=O)N1 Amb27838109 [0,0,0,1,0,0|1,0,0]=2 455 B10R1.54 O=C(O)CC1C[C@@H](O)CN1 Amb32990253 [0,0,0,1,0,0|2,0,1]=4 456 B10R1.54 O=C(O)CC1C[C@H](O)CN1 Amb32990254 [0,0,0,1,0,0|2,0,1]=4 457 B10R1.54 O=C(O)CN1CCC(O)C1 Amb22001816 [0,0,0,1,0,0|2,0,1]=4 458 B10R1.54 O=C(O)CN1CCC(O)C1 Amb2699841 [0,0,0,1,0,0|2,0,1]=4 459 B10R1.54 O=C(O)CN1CC[C@@H](O)C1 Amb2697169 [0,0,0,1,0,0|2,0,1]=4 460 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 Amb28314258 [0,0,0,1,0,0|2,0,1]=4 461 B10R1.54 O=C(O)C[C@@H]1CC(O)CN1 Amb34915761 [0,0,0,1,0,0|2,0,1]=4 462 B10R1.54 O=C(O)C[C@@H]1CCC(=O)C1 Amb24480441 [0,0,0,1,0,0|1,0,0]=2 463 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,0,0|2,0,0]=3 464 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Amb33716084 [0,0,0,1,0,0|1,0,1]=3 465 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Amb27654242 [0,0,0,1,0,0|1,0,1]=3 466 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Amb24410373 [0,0,0,1,0,0|1,0,0]=2 467 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 Amb26930782 [0,0,0,1,0,0|2,0,1]=4 468 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 Amb6754088 [0,0,0,1,0,0|2,0,1]=4 469 B10R1.54 O=C(O)C[C@H]1C=C[C@@H](O)C1 Amb28429828 [0,0,0,1,0,0|1,0,2]=4 470 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 Amb22898751 [0,0,0,1,0,0|1,0,0]=2 471 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,0,0|2,0,0]=3 472 B10R1.54 O=C(O)C[C@H]1CCC(=O)O1 Amb26025159 [0,0,0,1,0,0|2,0,0]=3 473 B10R1.54 O=C(O)C[C@H]1CC[C@@H](O)C1 Amb28197757 [0,0,0,1,0,0|1,0,1]=3 474 B10R1.54 O=C(O)C[C@H]1CC[C@H](O)C1 Amb27221654 [0,0,0,1,0,0|1,0,1]=3 475 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Amb26611732 [0,0,0,1,0,0|1,0,0]=2 476 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 Amb25744486 [0,0,0,1,0,0|1,0,0]=2 477 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 Amb22756736 [0,0,0,1,0,0|2,0,1]=4 478 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 Amb21964316 [0,0,0,1,0,0|2,0,1]=4 479 B10R1.59 C=C(C)C1CC(=O)CC1C Amb28144219 [0,0,0,1,0,0|3,0,0]=4 480 B10R1.59 C=C(C)[C@@H]1CC(=O)C[C@H]1C Amb27433511 [0,0,0,1,0,0|3,0,0]=4 481 B10R1.59 C=C1CC(N)C(C(=O)O)C1 Amb27779891 [0,0,0,1,0,0|3,0,0]=4 482 B10R1.59 C=C1C[C@H](N)[C@@H](C(=O)O)C1 Amb10071928 [0,0,0,1,0,0|3,0,0]=4 483 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 Amb17938168 [0,0,0,1,0,0|3,0,0]=4 484 B10R1.59 CC(=O)C1OC(C)=NC1C Amb24392161 [0,0,0,1,0,0|3,0,0]=4 485 B10R1.59 CC(=O)[C@@H]1CC(=O)C[C@@H]1C Amb27844197 [0,0,0,1,0,0|2,0,0]=3 486 B10R1.59 CC(=O)[C@@H]1OC(=O)C[C@@H]1C Amb25319949 [0,0,0,1,0,0|1,0,0]=2 487 B10R1.59 CC(=O)[C@H]1OC(=S)O[C@@H]1C Amb24621707 [0,0,0,1,0,0|2,1,0]=4 488 B10R1.59 CC(=O)[C@H]1OC(C)=N[C@H]1C Amb27768010 [0,0,0,1,0,0|3,0,0]=4 489 B10R1.59 CC(Br)C1OC(=O)CC1C Amb27247655 [0,0,0,1,0,0|2,0,1]=4 490 B10R1.59 CC1=C(C(=O)O)OC(=O)N1 Amb28050127 [0,0,0,1,0,0|1,0,2]=4 491 B10R1.59 CC1=CC(C(=O)O)C(N)C1 Amb27838089 [0,0,0,1,0,0|3,0,0]=4 492 B10R1.59 CC1=C[C@@H](C(=O)O)[C@@H](N)C1 Amb27629270 [0,0,0,1,0,0|3,0,0]=4 493 B10R1.59 CC1=C[C@H](C(=O)O)[C@@H](N)C1 Amb27975743 [0,0,0,1,0,0|3,0,0]=4 494 B10R1.59 CC1=NC(C(=O)O)C(C)S1 Amb28143410 [0,0,0,1,0,0|3,0,0]=4 495 B10R1.59 CC1CC(=O)NC1C(=O)O Amb25063723 [0,0,0,1,0,0|1,0,0]=2 496 B10R1.59 CC1CC(=O)NC1C(N)=O Amb28435298 [0,0,0,1,0,0|2,0,0]=3 497 B10R1.59 CC1CC(=O)NN1C(=O)Cl Amb26633004 [0,0,0,1,0,0|3,0,0]=4 498 B10R1.59 CC1CC(C)C(C(=O)O)O1 Amb25943591 [0,0,0,1,0,0|1,0,1]=3 499 B10R1.59 CC1CC(C)C(C(N)=O)O1 Amb27486913 [0,0,0,1,0,0|2,0,1]=4 500 B10R1.59 CC1CC(F)C(C(=O)O)O1 Amb28198814 [0,0,0,1,0,0|2,0,1]=4 501 B10R1.59 CC1CC(O)CC1C(=O)O Amb27447223 [0,0,0,1,0,0|1,0,1]=3 502 B10R1.59 CC1CN(C)CC1C(=O)O Amb24478023 [0,0,0,1,0,0|3,0,0]=4 503 B10R1.59 CC1CN(C)CC1C(=O)O Amb33552546 [0,0,0,1,0,0|3,0,0]=4 504 B10R1.59 CC1NC(=O)OC1C(=O)O Amb25046075 [0,0,0,1,0,0|1,0,0]=2 505 B10R1.59 CC1NC(=O)OC1C(N)=O Amb27962612 [0,0,0,1,0,0|2,0,0]=3 506 B10R1.59 CC1OC(=O)NC1C(=O)O Amb18644184 [0,0,0,1,0,0|2,0,0]=3 507 B10R1.59 CC1OC(=O)NC1C(N)=O Amb27792961 [0,0,0,1,0,0|3,0,0]=4 508 B10R1.59 CC1SC(=O)NC1C(=O)O Amb28208417 [0,0,0,1,0,0|2,0,0]=3 509 B10R1.59 CC1SC(=O)NC1C(N)=O Amb28141991 [0,0,0,1,0,0|3,0,0]=4 510 B10R1.59 CC1SC(=O)SC1C(=O)O Amb23504453 [0,0,0,1,0,0|1,1,0]=3 511 B10R1.59 CN1CC(O)CC1C(=O)O Amb5719759 [0,0,0,1,0,0|2,0,1]=4 512 B10R1.59 CN1CC(O)C[C@H]1C(=O)O Amb27849693 [0,0,0,1,0,0|2,0,1]=4 513 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O Amb22757084 [0,0,0,1,0,0|2,0,1]=4 514 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O Amb27447191 [0,0,0,1,0,0|2,0,1]=4 515 B10R1.59 CN1NC(=O)CC1C(=O)O Amb25761701 [0,0,0,1,0,0|3,0,0]=4 516 B10R1.59 C[C@@H](O)[C@@H]1OC(=O)C[C@H]1N Amb27420222 [0,0,0,1,0,0|2,0,1]=4 517 B10R1.59 C[C@@H]1CC(=O)C[C@H]1C(=O)O Amb26891990 [0,0,0,1,0,0|1,0,0]=2 518 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O Amb27188183 [0,0,0,1,0,0|1,0,0]=2 519 B10R1.59 C[C@@H]1CC(=O)O[C@@H]1C(=O)O Amb28428901 [0,0,0,1,0,0|0,0,0]=1 520 B10R1.59 C[C@@H]1CN(C)C[C@H]1C(=O)O Amb24643115 [0,0,0,1,0,0|3,0,0]=4 521 B10R1.59 C[C@@H]1C[C@@H](F)[C@@H](C(=O)O)O1 Amb28058745 [0,0,0,1,0,0|2,0,1]=4 522 B10R1.59 C[C@@H]1C[C@H](Cl)[C@H](C(=O)O)O1 Amb28457445 [0,0,0,1,0,0|2,0,1]=4 523 B10R1.59 C[C@@H]1NC(=O)C[C@@H]1C(N)=O Amb27445968 [0,0,0,1,0,0|3,0,0]=4 524 B10R1.59 C[C@@H]1NC(=O)C[C@H]1C(=O)O Amb18202489 [0,0,0,1,0,0|2,0,0]=3 525 B10R1.59 C[C@@H]1NC(=O)O[C@@H]1C(=O)O Amb28057719 [0,0,0,1,0,0|1,0,0]=2 526 B10R1.59 C[C@@H]1NC(=O)O[C@H]1C(=O)O Amb27630658 [0,0,0,1,0,0|1,0,0]=2 527 B10R1.59 C[C@@H]1OC(=O)C[C@@H]1C(=O)O Amb27810863 [0,0,0,1,0,0|2,0,0]=3 528 B10R1.59 C[C@@H]1OC(=O)N[C@H]1C(=O)O Amb25243703 [0,0,0,1,0,0|2,0,0]=3 529 B10R1.59 C[C@@H]1SC(=O)S[C@H]1C(=O)O Amb28384455 [0,0,0,1,0,0|1,1,0]=3 530 B10R1.59 C[C@H](Br)[C@@H]1OC(=O)C[C@@H]1C Amb28288320 [0,0,0,1,0,0|2,0,1]=4 531 B10R1.59 C[C@H](O)C1OC(=O)C[C@@H]1O Amb28345319 [0,0,0,1,0,0|2,0,1]=4 532 B10R1.59 C[C@H](O)[C@@H]1OC(=O)C[C@H]1N Amb27644620 [0,0,0,1,0,0|2,0,1]=4 533 B10R1.59 C[C@H](O)[C@@H]1OC(=O)C[C@H]1O Amb28350193 [0,0,0,1,0,0|2,0,1]=4 534 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O Amb28429784 [0,0,0,1,0,0|1,0,0]=2 535 B10R1.59 C[C@H]1CC(=O)O[C@@H]1C(=O)O Amb27230560 [0,0,0,1,0,0|0,0,0]=1 536 B10R1.59 C[C@H]1NC(=O)O[C@@H]1C(=O)O Amb28346276 [0,0,0,1,0,0|1,0,0]=2 537 B10R1.59 C[C@H]1OC(=O)N[C@@H]1C(N)=O Amb27420143 [0,0,0,1,0,0|3,0,0]=4 538 B10R1.59 C[C@H]1OC(=O)O[C@@H]1C(=O)O Amb27446650 [0,0,0,1,0,0|1,0,0]=2 539 B10R1.59 NC1CC(=O)CC1C(=O)O Amb24523031 [0,0,0,1,0,0|2,0,0]=3 540 B10R1.59 NC1CC(O)CC1C(=O)O Amb26583126 [0,0,0,1,0,0|2,0,1]=4 541 B10R1.59 N[C@@H]1C[C@H](O)C[C@@H]1C(=O)O Amb32651666 [0,0,0,1,0,0|2,0,1]=4 542 B10R1.59 N[C@@H]1C[C@H](O)C[C@@H]1C(=O)O Amb32992726 [0,0,0,1,0,0|2,0,1]=4 543 B10R1.59 N[C@H]1CC(=O)C[C@H]1C(=O)O Amb27658876 [0,0,0,1,0,0|2,0,0]=3 544 B10R1.59 N[C@H]1CC(O)C[C@H]1C(=O)O Amb27818161 [0,0,0,1,0,0|2,0,1]=4 545 B10R1.59 O=C(O)[C@H]1O[C@@H](O)C[C@@H]1O Amb27961459 [0,0,0,1,0,0|1,0,2]=4 546 B10R1.59 O=C(O)[C@H]1O[C@H](O)C[C@@H]1O Amb27422050 [0,0,0,1,0,0|1,0,2]=4 547 B10R1.59 O=C1CC(O)C(C(=O)O)N1 Amb27175349 [0,0,0,1,0,0|2,0,0]=3 548 B10R1.59 O=C1CC(O)C(C(=O)O)O1 Amb27815003 [0,0,0,1,0,0|1,0,0]=2 549 B10R1.59 O=C1C[C@@H](O)[C@H](C(=O)O)O1 Amb27254163 [0,0,0,1,0,0|1,0,0]=2 550 B10R1.59 O=C1C[C@H](O)[C@@H](C(=O)O)N1 Amb27803055 [0,0,0,1,0,0|2,0,0]=3 551 B10R1.59 O=C1OC(=O)C(C(=O)O)O1 Amb25335302 [0,0,0,1,0,0|2,0,1]=4 552 B10R1.110 CC(CC(=O)O)C1CC1C Amb24666851 [0,0,0,1,0,0|2,0,1]=4 553 B10R1.268 CC(CC(=O)O)CC1CC1 Amb25147806 [0,0,0,1,0,0|2,0,1]=4 554 B10R1.282 C=C1C(C(=O)O)C1C(=O)O Amb9703293 [0,0,0,1,0,0|0,0,2]=3 555 B10R1.282 C=C1C(C(=O)O)[C@@H]1C(=O)O Amb27830032 [0,0,0,1,0,0|0,0,2]=3 556 B10R1.282 C=C1[C@@H](C(=O)O)[C@@H]1C(=O)O Amb533202 [0,0,0,1,0,0|0,0,2]=3 557 B10R1.282 C=C1[C@@H](C(=O)O)[C@H]1C(=O)O Amb10069605 [0,0,0,1,0,0|0,0,2]=3 558 B10R1.282 C=C1[C@H](C(=O)O)[C@H]1C(=O)O Amb2721000 [0,0,0,1,0,0|0,0,2]=3 559 B10R1.282 CC(=O)C1C(C)C1C(=O)O Amb27794780 [0,0,0,1,0,0|1,0,0]=2 560 B10R1.282 CC(=O)C1C(C)C1C(C)O Amb27432683 [0,0,0,1,0,0|2,0,1]=4 561 B10R1.282 CC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)O Amb27489158 [0,0,0,1,0,0|1,0,0]=2 562 B10R1.282 CC(=O)[C@@H]1[C@@H](C)[C@H]1C(C)O Amb28054447 [0,0,0,1,0,0|2,0,1]=4 563 B10R1.282 CC1C(C(=O)O)C1C(=O)O Amb25113473 [0,0,0,1,0,0|0,0,0]=1 564 B10R1.282 CC1C(C(N)=O)C1C(=O)O Amb27816551 [0,0,0,1,0,0|1,0,0]=2 565 B10R1.282 CC1[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27422045 [0,0,0,1,0,0|0,0,0]=1 566 B10R1.282 CC1[C@H](C(=O)O)[C@H]1C(=O)O Amb25956733 [0,0,0,1,0,0|0,0,0]=1 567 B10R1.282 N[C@@H]1[C@@H](C(=O)O)[C@H]1C(=O)O Amb27472114 [0,0,0,1,0,0|1,0,0]=2 568 B10R1.309 CC(=O)CC1(C)CC(=O)O1 Amb27217382 [0,0,0,1,0,0|1,0,0]=2 569 B10R1.309 C[C@]1(CC(=O)O)CC(=O)O1 Amb27827327 [0,0,0,1,0,0|0,0,0]=1 570 B10R1.330 C=C1C=CC(=O)CC(C)C1 Amb27859432 [0,0,0,1,0,0|3,0,0]=4 571 B10R1.330 CC1CC(=O)C=CC(=O)C1 Amb27267063 [0,0,0,1,0,0|2,0,0]=3 572 B10R1.330 CC1CC(=O)NCC(=O)N1 Amb27631757 [0,0,0,1,0,0|3,0,0]=4 573 B10R1.368 CC(=O)NC1CC1C(=O)O Amb18831601 [0,0,0,1,0,0|2,0,0]=3 574 B10R1.368 CC(=O)NC1CC1C(C)=O Amb18831758 [0,0,0,1,0,0|3,0,0]=4 575 B10R1.368 CC(=O)OC1CC1C(C)=O Amb27954052 [0,0,0,1,0,0|3,0,0]=4 576 B10R1.368 CC(C)=CC1CC1C(=O)O Amb28126961 [0,0,0,1,0,0|2,0,1]=4 577 B10R1.368 CC(C)=C[C@H]1C[C@@H]1C(=O)O Amb27627967 [0,0,0,1,0,0|2,0,1]=4 578 B10R1.368 CC(C)CC1CC1C(=O)O Amb18297987 [0,0,0,1,0,0|2,0,1]=4 579 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Amb28325147 [0,0,0,1,0,0|2,0,1]=4 580 B10R1.368 CN(C)[C@H]1C[C@H]1CC(=O)O Amb28056002 [0,0,0,1,0,0|3,0,0]=4 581 B10R1.368 O=C(O)C1CC1C=C(Cl)Cl Amb27841807 [0,0,0,1,0,0|2,0,1]=4 582 B10R1.368 O=C(O)CC1OC1C(=O)O Amb28146420 [0,0,0,1,0,0|1,0,0]=2 583 B10R1.368 O=C(O)C[C@@H]1O[C@@H]1C(=O)O Amb27254162 [0,0,0,1,0,0|1,0,0]=2 584 B10R1.368 O=C(O)\C=C1\CC1C(=O)O Amb27216810 [0,0,0,1,0,0|0,0,2]=3 585 B10R1.371 CC1(C)CC(CC(=O)O)C1 Amb27218191 [0,0,0,1,0,0|2,0,1]=4 586 B10R1.371 O=C(O)CC1CC(F)(F)C1 Amb22739013 [0,0,0,1,0,0|2,0,1]=4 587 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 Amb22386897 [0,0,0,1,0,0|1,0,1]=3 588 B10R1.443 CC1(C)CC1(C)CC(=O)O Amb26606076 [0,0,0,1,0,0|2,0,1]=4 589 B10R1.443 CC1(CC(=O)O)CC1(Cl)Cl Amb24725943 [0,0,0,1,0,0|2,0,1]=4 590 B10R1.443 CC1(CC(=O)O)CC1(F)Cl Amb25199162 [0,0,0,1,0,0|2,0,1]=4 591 B10R1.443 CC1(CC(=O)O)CC1(F)F Amb35634474 [0,0,0,1,0,0|2,0,1]=4 592 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,0,0,0,1,0|1,0,0]=2 593 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,0,0,0,1,0|3,0,0]=4 594 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,0,0,0,1,0|3,0,0]=4 595 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,0,0,0,1,0|3,0,0]=4 596 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [0,0,0,0,1,0|3,0,0]=4 597 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,0,0,0,1,0|2,0,0]=3 598 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,0,0,0,1,0|3,0,0]=4 599 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,0,0,0,1,0|3,0,0]=4 600 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [0,0,0,0,1,0|3,0,0]=4 601 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,0,0,0,1,0|2,0,0]=3 602 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,0,0,0,1,0|3,0,0]=4 603 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,0,0,0,1,0|3,0,0]=4 604 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,0,0,0,1,0|3,0,0]=4 605 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,0,0,0,1,0|2,0,0]=3 606 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,0,0,0,1,0|3,0,0]=4 607 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,0,0,0,1,0|2,0,0]=3 608 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,0,0,0,1,0|3,0,0]=4 609 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [0,0,0,0,1,0|3,0,0]=4 610 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,0,0,0,1,0|2,0,0]=3 611 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [0,0,0,0,1,0|3,0,0]=4 612 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,0,0,0,1,0|0,0,2]=3 613 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,0,0,0,1,0|1,0,2]=4 614 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [0,0,0,0,1,0|1,0,2]=4 615 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,0,0,0,1,0|3,0,0]=4 616 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,0,0,0,1,0|3,0,0]=4 617 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,0,0,0,1,0|3,0,0]=4 618 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,0,0,0,1,0|3,0,0]=4 619 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,0,0,0,1,0|3,0,0]=4 620 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,0,0,0,1,0|3,0,0]=4 621 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,0,0,0,1,0|2,0,0]=3 622 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,0,0,0,1,0|3,0,0]=4 623 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,0,0,0,1,0|3,0,0]=4 624 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,0,0,0,1,0|2,0,1]=4 625 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,0,0,0,1,0|2,0,0]=3 626 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,0,0,0,1,0|1,0,0]=2 627 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,0,0,0,1,0|3,0,0]=4 628 B8R0.23 CC(=O)C(C)SC(=O)Cl Amb32679654 [0,0,0,0,1,0|3,0,0]=4 629 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,0,0,0,1,0|2,0,0]=3 630 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,1,0|3,0,0]=4 631 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,0,0,0,1,0|2,0,0]=3 632 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,0,0,0,1,0|2,0,1]=4 633 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,0,0,0,1,0|1,0,0]=2 634 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,0,0,0,1,0|2,0,0]=3 635 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,0,0,0,1,0|2,0,1]=4 636 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,0,0,0,1,0|2,0,0]=3 637 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,0,0,0,1,0|2,0,0]=3 638 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,0,0,0,1,0|3,0,0]=4 639 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,0,0,0,1,0|2,0,0]=3 640 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,0,0,0,1,0|3,0,0]=4 641 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,0,0,0,1,0|2,0,0]=3 642 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,0,0,0,1,0|2,0,0]=3 643 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,0,0,0,1,0|1,0,0]=2 644 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,0,0,0,1,0|2,0,0]=3 645 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,0,0,0,1,0|2,0,0]=3 646 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,0,0,0,1,0|2,0,0]=3 647 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,0,0,0,1,0|2,0,0]=3 648 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,0,0,0,1,0|3,0,0]=4 649 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,0,0,0,1,0|3,0,0]=4 650 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,0,0,0,1,0|2,0,0]=3 651 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,0,0,0,1,0|3,0,0]=4 652 B8R0.23 CC(=O)NC(C)C(N)=O Amb4018750 [0,0,0,0,1,0|3,0,0]=4 653 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,0,0,0,1,0|2,0,0]=3 654 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,0,0,0,1,0|3,0,0]=4 655 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,0,0,0,1,0|2,0,0]=3 656 B8R0.23 CC(=O)OC(C)C(=O)Cl Amb25920188 [0,0,0,0,1,0|3,0,0]=4 657 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,0,0,0,1,0|2,0,0]=3 658 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,0,0,0,1,0|3,0,0]=4 659 B8R0.23 CC(=O)OC(C)C(N)=O Amb27179906 [0,0,0,0,1,0|3,0,0]=4 660 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl Amb3939242 [0,0,0,0,1,0|3,0,0]=4 661 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,0,0,0,1,0|2,0,0]=3 662 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,0,0,0,1,0|3,0,0]=4 663 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl Amb27411067 [0,0,0,0,1,0|3,0,0]=4 664 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,0,0,0,1,0|2,0,0]=3 665 B8R0.23 CC(=O)O[C@H](C)C(N)=O Amb27227531 [0,0,0,0,1,0|3,0,0]=4 666 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,0,0,0,1,0|2,0,0]=3 667 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,0,0,0,1,0|2,0,0]=3 668 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,0,0,0,1,0|3,0,0]=4 669 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,0,0,0,1,0|2,0,0]=3 670 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,0,0,0,1,0|1,0,0]=2 671 B8R0.23 CC(=O)\C(C)=C\C(=O)O Amb27838567 [0,0,0,0,1,0|1,0,2]=4 672 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,0,0,0,1,0|1,0,2]=4 673 B8R0.23 CC(=S)NC(C)C(=O)O Amb27876447 [0,0,0,0,1,0|2,1,0]=4 674 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [0,0,0,0,1,0|2,0,1]=4 675 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [0,0,0,0,1,0|2,0,1]=4 676 B8R0.23 CC(C)C(C)CC(=O)O Amb10844380 [0,0,0,0,1,0|2,0,1]=4 677 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [0,0,0,0,1,0|2,0,1]=4 678 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [0,0,0,0,1,0|2,0,1]=4 679 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [0,0,0,0,1,0|2,0,1]=4 680 B8R0.23 CC(C)[C@@H](C)CC(=O)O Amb27785773 [0,0,0,0,1,0|2,0,1]=4 681 B8R0.23 CC(CC(=N)N)C(N)=O Amb27209796 [0,0,0,0,1,0|3,0,0]=4 682 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,0,0,0,1,0|2,0,0]=3 683 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,0,0,0,1,0|0,0,0]=1 684 B8R0.23 CC(CC(=O)O)C(F)F Amb27441233 [0,0,0,0,1,0|2,0,1]=4 685 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,0,0,0,1,0|1,0,0]=2 686 B8R0.23 CC(CC(=O)O)C(N)N Amb27481204 [0,0,0,0,1,0|2,0,1]=4 687 B8R0.23 CC(CC(=O)O)N(C)C Amb8428133 [0,0,0,0,1,0|3,0,0]=4 688 B8R0.23 CC(CC(=O)O)N(C)C Amb9173357 [0,0,0,0,1,0|3,0,0]=4 689 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [0,0,0,0,1,0|2,0,0]=3 690 B8R0.23 CC(CC(F)F)C(=O)O Amb22896466 [0,0,0,0,1,0|2,0,1]=4 691 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,0,0,0,1,0|1,0,0]=2 692 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,0,0,0,1,0|2,0,0]=3 693 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [0,0,0,0,1,0|3,0,0]=4 694 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [0,0,0,0,1,0|3,0,0]=4 695 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,0,0,0,1,0|3,0,0]=4 696 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,0,0,0,1,0|1,0,0]=2 697 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,0,0,0,1,0|2,0,0]=3 698 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,0,0,0,1,0|3,0,0]=4 699 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,0,0,0,1,0|1,0,0]=2 700 B8R0.23 CC(NC(=N)N)C(=O)O Amb22522920 [0,0,0,0,1,0|3,0,0]=4 701 B8R0.23 CC(NC(=S)S)C(=O)O Amb25336384 [0,0,0,0,1,0|1,2,0]=4 702 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,0,0,0,1,0|2,0,0]=3 703 B8R0.23 CC(N[N+](=O)[O-])C(=O)O Amb27873513 [0,0,0,0,1,0|2,0,1]=4 704 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,0,0,0,1,0|2,0,1]=4 705 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,0,0,0,1,0|2,0,1]=4 706 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,0,0,0,1,0|2,0,1]=4 707 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,0,0,0,1,0|2,0,1]=4 708 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,0,0,0,1,0|2,0,0]=3 709 B8R0.23 CC(O[N+](=O)[O-])C(=O)O Amb27947983 [0,0,0,0,1,0|2,0,1]=4 710 B8R0.23 CC(\N=C(/N)S)C(=O)O Amb22229340 [0,0,0,0,1,0|2,1,0]=4 711 B8R0.23 CN(CC(=O)O)C(=N)N Amb22167307 [0,0,0,0,1,0|3,0,0]=4 712 B8R0.23 CN(CC(=O)O)C(=N)N Amb3940365 [0,0,0,0,1,0|3,0,0]=4 713 B8R0.23 CN(CC(=O)O)C(=N)N Amb5638543 [0,0,0,0,1,0|3,0,0]=4 714 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,0,0,0,1,0|2,0,0]=3 715 B8R0.23 CN(CC(=O)O)C(=S)S Amb1042470 [0,0,0,0,1,0|1,2,0]=4 716 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,0,0,0,1,0|2,0,0]=3 717 B8R0.23 CN(CC(=O)O)S(C)=O Amb27862060 [0,0,0,0,1,0|3,0,0]=4 718 B8R0.23 CN(CC(=O)O)[N+](=O)[O-] Amb27154042 [0,0,0,0,1,0|2,0,1]=4 719 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,0,0,0,1,0|3,0,0]=4 720 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,0,0,0,1,0|3,0,0]=4 721 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,0,0,0,1,0|3,0,0]=4 722 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,0,0,0,1,0|0,0,0]=1 723 B8R0.23 C[C@@H](CC(F)F)C(=O)O Amb33749533 [0,0,0,0,1,0|2,0,1]=4 724 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,0,0,0,1,0|2,0,0]=3 725 B8R0.23 C[C@@H](NC(N)=O)C(N)=O Amb27394390 [0,0,0,0,1,0|3,0,0]=4 726 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,0,0,0,1,0|2,0,1]=4 727 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,0,0,0,1,0|2,0,1]=4 728 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,0,0,0,1,0|2,0,0]=3 729 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,0,0,0,1,0|0,0,0]=1 730 B8R0.23 C[C@H](CC(=O)O)C(Cl)Cl Amb28292581 [0,0,0,0,1,0|2,0,1]=4 731 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,0,0,0,1,0|1,0,0]=2 732 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,0,0,0,1,0|2,0,0]=3 733 B8R0.23 C[C@H](CC(F)F)C(=O)O Amb33727762 [0,0,0,0,1,0|2,0,1]=4 734 B8R0.23 C[C@H](NC(=N)N)C(=O)O Amb24388432 [0,0,0,0,1,0|3,0,0]=4 735 B8R0.23 C[C@H](NC(=O)Cl)C(=O)Cl Amb28292733 [0,0,0,0,1,0|3,0,0]=4 736 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,0,0,0,1,0|2,0,0]=3 737 B8R0.23 C[C@H](NS(C)=O)C(=O)O Amb27212723 [0,0,0,0,1,0|3,0,0]=4 738 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,0,0,0,1,0|2,0,1]=4 739 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,0,0,0,1,0|3,0,0]=4 740 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,0,0,0,1,0|3,0,0]=4 741 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,0,0,0,1,0|3,0,0]=4 742 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,0,0,0,1,0|0,0,2]=3 743 B8R0.23 C\C(=C/C(=O)O)C(N)=O Amb28350555 [0,0,0,0,1,0|1,0,2]=4 744 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,0,0,0,1,0|1,0,2]=4 745 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,0,0,0,1,0|0,0,2]=3 746 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,0,0,0,1,0|2,0,1]=4 747 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,0,0,0,1,0|2,0,0]=3 748 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,0,0,0,1,0|2,0,0]=3 749 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,0,0,0,1,0|2,0,0]=3 750 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,0,0,0,1,0|2,0,1]=4 751 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,0,0,0,1,0|2,0,0]=3 752 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,0,0,0,1,0|2,0,0]=3 753 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,0,0,0,1,0|2,0,0]=3 754 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,0,0,0,1,0|2,0,0]=3 755 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,0,0,0,1,0|3,0,0]=4 756 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,0,0,0,1,0|2,0,0]=3 757 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,0,0,0,1,0|3,0,0]=4 758 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,0,0,0,1,0|2,0,0]=3 759 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,0,0,0,1,0|2,0,0]=3 760 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,0,0,0,1,0|2,0,0]=3 761 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,0,0,0,1,0|2,0,0]=3 762 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,0,0,0,1,0|3,0,0]=4 763 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,0,0,0,1,0|2,0,0]=3 764 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,0,0,0,1,0|3,0,0]=4 765 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,0,0,0,1,0|2,0,0]=3 766 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,0,0,0,1,0|2,0,0]=3 767 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,0,0,0,1,0|2,0,0]=3 768 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,0,0,0,1,0|3,0,0]=4 769 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,0,0,0,1,0|2,0,0]=3 770 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,0,0,0,1,0|3,0,0]=4 771 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,0,0,0,1,0|3,0,0]=4 772 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,0,0,0,1,0|3,0,0]=4 773 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,0,0,0,1,0|2,0,0]=3 774 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,0,0,0,1,0|2,0,0]=3 775 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,0,0,0,1,0|2,0,0]=3 776 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,0,0,0,1,0|2,0,0]=3 777 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,0,0,0,1,0|2,1,0]=4 778 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,0,0,0,1,0|2,0,1]=4 779 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,0,0,0,1,0|2,0,1]=4 780 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,0,0,0,1,0|1,0,0]=2 781 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,0,0,0,1,0|1,0,1]=3 782 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,0,0,0,1,0|1,0,1]=3 783 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,0,0,0,1,0|2,0,0]=3 784 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,0,0,0,1,0|1,0,0]=2 785 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,0,0,0,1,0|1,0,0]=2 786 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,0,0,0,1,0|1,0,1]=3 787 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,0,0,0,1,0|1,0,1]=3 788 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,0,0,0,1,0|1,0,1]=3 789 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,0,0,0,1,0|1,0,2]=4 790 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,0,0,0,1,0|2,0,0]=3 791 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,0,0,0,1,0|2,0,0]=3 792 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,0,0,0,1,0|2,0,1]=4 793 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,0,0,0,1,0|1,0,0]=2 794 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,0,0,0,1,0|3,0,0]=4 795 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [0,0,0,0,1,0|2,0,1]=4 796 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [0,0,0,0,1,0|1,0,2]=4 797 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,0,0,0,1,0|2,0,1]=4 798 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,0,0,0,1,0|1,0,1]=3 799 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,0,0,0,1,0|1,0,1]=3 800 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,0,0,0,1,0|1,0,0]=2 801 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,0,0,0,1,0|1,0,0]=2 802 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,0,0,0,1,0|1,0,0]=2 803 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,0,0,0,1,0|1,0,0]=2 804 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,0,0,0,1,0|1,0,0]=2 805 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,0,0,0,1,0|1,0,0]=2 806 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,0,0,0,1,0|1,0,0]=2 807 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,0,0,0,1,0|1,0,0]=2 808 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,0,0,0,1,0|1,0,0]=2 809 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,0,0,0,1,0|1,0,0]=2 810 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,0,0,0,1,0|1,0,0]=2 811 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,0,0,0,1,0|1,0,0]=2 812 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,0,0,0,1,0|1,0,2]=4 813 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,0,0,0,1,0|1,0,2]=4 814 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,0,0,0,1,0|1,0,2]=4 815 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,0,0,0,1,0|1,0,2]=4 816 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,0,0,0,1,0|1,0,2]=4 817 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,0,0,0,1,0|1,0,2]=4 818 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,0,0,0,1,0|1,0,2]=4 819 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,0,0,0,1,0|1,0,2]=4 820 B10R0.96 C=C(C)C\C=C(\C)CC(=O)O Amb25386397 [0,0,0,0,0,1|2,0,1]=4 821 B10R0.96 C=C(\C=C\C(=O)O)CC(=O)O Amb26659891 [0,0,0,0,0,1|0,0,3]=4 822 B10R0.96 CC(=O)CC(=O)NCC(=O)O Amb19011373 [0,0,0,0,0,1|2,0,1]=4 823 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [0,0,0,0,0,1|1,0,0]=2 824 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [0,0,0,0,0,1|1,0,0]=2 825 B10R0.96 CC(=O)C\C(C)=N\CC(=O)O Amb25384127 [0,0,0,0,0,1|1,0,1]=3 826 B10R0.96 CC(=O)C\C(C)=N\CC(=O)[O-] Amb28080129 [0,0,0,0,0,1|1,0,2]=4 827 B10R0.96 CC(=O)C\C(C)=N\CC(N)=O Amb27672287 [0,0,0,0,0,1|2,0,1]=4 828 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [0,0,0,0,0,1|2,0,0]=3 829 B10R0.96 CC(=O)NC(C)COC(C)=O Amb28080103 [0,0,0,0,0,1|3,0,0]=4 830 B10R0.96 CC(=O)NCC(C)CC(C)O Amb28351961 [0,0,0,0,0,1|2,0,1]=4 831 B10R0.96 CC(=O)NCC(C)NC(C)=O Amb17795374 [0,0,0,0,0,1|3,0,0]=4 832 B10R0.96 CC(=O)NCC(C)OC(C)=O Amb27673655 [0,0,0,0,0,1|3,0,0]=4 833 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [0,0,0,0,0,1|2,0,0]=3 834 B10R0.96 CC(=O)NC[C@H](C)OC(C)=O Amb27673459 [0,0,0,0,0,1|3,0,0]=4 835 B10R0.96 CC(=O)NN(C)CCC(=O)O Amb24764551 [0,0,0,0,0,1|3,0,0]=4 836 B10R0.96 CC(=O)N[C@H](C)COC(C)=O Amb28080102 [0,0,0,0,0,1|3,0,0]=4 837 B10R0.96 CC(=O)OC(C)C#CC(=O)O Amb28422372 [0,0,0,0,0,1|2,0,1]=4 838 B10R0.96 CC(=O)OCC(C)OC(C)=O Amb2721142 [0,0,0,0,0,1|3,0,0]=4 839 B10R0.96 CC(=O)\C=C\[C@@H](C)CC(C)=O Amb28080334 [0,0,0,0,0,1|2,0,1]=4 840 B10R0.96 CC(=O)\C=C\[C@H](C)CC(C)=O Amb28080335 [0,0,0,0,0,1|2,0,1]=4 841 B10R0.96 CC(C)=NO[C@@H](C)CC(=O)O Amb27986825 [0,0,0,0,0,1|3,0,0]=4 842 B10R0.96 CC(C)=NO[C@H](C)CC(=O)O Amb27986824 [0,0,0,0,0,1|3,0,0]=4 843 B10R0.96 CC(C)CCC(C)CC(=O)O Amb6749235 [0,0,0,0,0,1|2,0,1]=4 844 B10R0.96 CC(CC(=O)O)NCC(F)F Amb33069473 [0,0,0,0,0,1|2,0,1]=4 845 B10R0.96 CC(CCC(=O)Cl)CC(=O)Cl Amb3940506 [0,0,0,0,0,1|2,0,0]=3 846 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [0,0,0,0,0,1|0,0,0]=1 847 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [0,0,0,0,0,1|2,0,0]=3 848 B10R0.96 CC(CCN(C)C)CC(=O)O Amb33473550 [0,0,0,0,0,1|3,0,0]=4 849 B10R0.96 CC(CN(C)C)OCC(=O)O Amb33339196 [0,0,0,0,0,1|3,0,0]=4 850 B10R0.96 CC(CN(C)C)OCC(=O)O Amb33483323 [0,0,0,0,0,1|3,0,0]=4 851 B10R0.96 CC(COC(C)C)CC(=O)O Amb33079248 [0,0,0,0,0,1|2,0,1]=4 852 B10R0.96 CC(O)CC(C)CNC(N)=O Amb28351977 [0,0,0,0,0,1|2,0,1]=4 853 B10R0.96 CN(CCC(=O)O)CC(N)=O Amb8957129 [0,0,0,0,0,1|2,0,0]=3 854 B10R0.96 NC(=O)CC(=O)NCC(=O)O Amb27271867 [0,0,0,0,0,1|2,0,1]=4 855 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O Amb22746285 [0,0,0,0,0,1|2,0,0]=3 856 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Amb22348459 [0,0,0,0,0,1|2,0,0]=3 857 B10R0.96 NC(=O)CNC(=O)CC(=O)O Amb18315747 [0,0,0,0,0,1|2,0,1]=4 858 B10R0.96 NC(=O)NCC(O)CC(=O)O Amb28079675 [0,0,0,0,0,1|2,0,0]=3 859 B10R0.96 NC(CCC(=O)O)CC(=O)O Amb8631356 [0,0,0,0,0,1|1,0,0]=2 860 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Amb16232070 [0,0,0,0,0,1|1,0,0]=2 861 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O Amb22750585 [0,0,0,0,0,1|1,0,0]=2 862 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [0,0,0,0,0,1|1,0,0]=2 863 B10R0.96 O=C(O)CNC(=O)CC(=O)O Amb18800491 [0,0,0,0,0,1|1,0,1]=3 864 B7R0.2 C#CC(C)CC(=O)O Amb27246384 [2,0,0,0,0,0|0,0,2]=4 865 B7R0.2 C=C(Br)C[C@@H](C)C=O Amb28381143 [2,0,0,0,0,0|2,0,0]=4 866 B7R0.2 C=C(Br)C[C@@H](C)CO Amb28069642 [2,0,0,0,0,0|2,0,0]=4 867 B7R0.2 C=C(Br)C[C@H](C)CO Amb27196706 [2,0,0,0,0,0|2,0,0]=4 868 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [2,0,0,0,0,0|2,0,0]=4 869 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [2,0,0,0,0,0|0,0,1]=3 870 B7R0.2 C=CC(C)CC(C)=O Amb27759897 [2,0,0,0,0,0|1,0,1]=4 871 B7R0.2 C=CC(C)CC(N)=O Amb27168118 [2,0,0,0,0,0|1,0,1]=4 872 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [2,0,0,0,0,0|1,0,1]=4 873 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [2,0,0,0,0,0|1,0,1]=4 874 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [2,0,0,0,0,0|1,0,1]=4 875 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [2,0,0,0,0,0|0,0,1]=3 876 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [2,0,0,0,0,0|1,0,1]=4 877 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [2,0,0,0,0,0|0,0,1]=3 878 B7R0.2 CC(=O)CC(C)CCl Amb28313530 [2,0,0,0,0,0|2,0,0]=4 879 B7R0.2 CC(=O)CC(C)CN Amb18251072 [2,0,0,0,0,0|2,0,0]=4 880 B7R0.2 CC(=O)CC(N)CO Amb27240210 [2,0,0,0,0,0|2,0,0]=4 881 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [2,0,0,0,0,0|1,0,0]=3 882 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [2,0,0,0,0,0|1,0,0]=3 883 B7R0.2 CC(=O)C[C@H](O)CO Amb28316148 [2,0,0,0,0,0|2,0,0]=4 884 B7R0.2 CC(=O)NC(C)CO Amb9276356 [2,0,0,0,0,0|2,0,0]=4 885 B7R0.2 CC(=O)N[C@@H](C)CO Amb26515722 [2,0,0,0,0,0|2,0,0]=4 886 B7R0.2 CC(=O)N[C@H](C)C=O Amb27838347 [2,0,0,0,0,0|2,0,0]=4 887 B7R0.2 CC(=O)N[C@H](C)CO Amb24426644 [2,0,0,0,0,0|2,0,0]=4 888 B7R0.2 CC(=O)OC(C)C=O Amb18641863 [2,0,0,0,0,0|2,0,0]=4 889 B7R0.2 CC(=O)O[C@H](C)C=O Amb28422009 [2,0,0,0,0,0|2,0,0]=4 890 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [2,0,0,0,0,0|1,0,1]=4 891 B7R0.2 CC(CC(=O)O)NN Amb28346224 [2,0,0,0,0,0|2,0,0]=4 892 B7R0.2 CC(CC(=O)O)NN Amb33141007 [2,0,0,0,0,0|2,0,0]=4 893 B7R0.2 CC(CCl)CC(=O)Cl Amb27949867 [2,0,0,0,0,0|2,0,0]=4 894 B7R0.2 CC(CF)CC(=O)O Amb25990964 [2,0,0,0,0,0|1,0,0]=3 895 B7R0.2 CC(CN)CC(=O)O Amb18124263 [2,0,0,0,0,0|1,0,0]=3 896 B7R0.2 CC(CN)CC(=O)O Amb20669501 [2,0,0,0,0,0|1,0,0]=3 897 B7R0.2 CC(CN)CC(=O)O Amb32752805 [2,0,0,0,0,0|1,0,0]=3 898 B7R0.2 CC(CN)CC(N)=O Amb18641899 [2,0,0,0,0,0|2,0,0]=4 899 B7R0.2 CC(CO)CC(=O)O Amb18198168 [2,0,0,0,0,0|0,0,0]=2 900 B7R0.2 CC(CO)CC(=O)[O-] Amb33329956 [2,0,0,0,0,0|0,0,1]=3 901 B7R0.2 CC(CO)OC(N)=O Amb26402233 [2,0,0,0,0,0|2,0,0]=4 902 B7R0.2 CC(O)C[C@H](C)CO Amb27394893 [2,0,0,0,0,0|1,0,1]=4 903 B7R0.2 CCC(C)CC(=O)Cl Amb10844649 [2,0,0,0,0,0|1,0,1]=4 904 B7R0.2 CCC(C)CC(=O)O Amb2689581 [2,0,0,0,0,0|0,0,1]=3 905 B7R0.2 CCC(C)CC(C)=O Amb10608208 [2,0,0,0,0,0|1,0,1]=4 906 B7R0.2 CCC(C)CC(N)=O Amb25230669 [2,0,0,0,0,0|1,0,1]=4 907 B7R0.2 CCC(N)CC(=O)O Amb1993862 [2,0,0,0,0,0|1,0,1]=4 908 B7R0.2 CCC(N)CC(=O)O Amb8631361 [2,0,0,0,0,0|1,0,1]=4 909 B7R0.2 CCC(O)CC(=O)O Amb10844270 [2,0,0,0,0,0|1,0,1]=4 910 B7R0.2 CCN(C)CC(=O)O Amb33620688 [2,0,0,0,0,0|1,0,1]=4 911 B7R0.2 CCN(C)CC(=O)O Amb8428140 [2,0,0,0,0,0|1,0,1]=4 912 B7R0.2 CC[C@@H](C)CC(=O)O Amb2696314 [2,0,0,0,0,0|0,0,1]=3 913 B7R0.2 CC[C@@H](N)CC(=O)O Amb22225305 [2,0,0,0,0,0|1,0,1]=4 914 B7R0.2 CC[C@@H](N)CC(=O)O Amb8397198 [2,0,0,0,0,0|1,0,1]=4 915 B7R0.2 CC[C@@H](O)CC(=O)O Amb27601320 [2,0,0,0,0,0|1,0,1]=4 916 B7R0.2 CC[C@H](C)CC(=O)O Amb2696313 [2,0,0,0,0,0|0,0,1]=3 917 B7R0.2 CC[C@H](N)CC(=O)O Amb22226650 [2,0,0,0,0,0|1,0,1]=4 918 B7R0.2 CC[C@H](N)CC(=O)O Amb8397197 [2,0,0,0,0,0|1,0,1]=4 919 B7R0.2 CC[C@H](O)CC(=O)O Amb33189078 [2,0,0,0,0,0|1,0,1]=4 920 B7R0.2 CN(C=O)CC(N)=O Amb27471534 [2,0,0,0,0,0|2,0,0]=4 921 B7R0.2 CN(CC(=O)O)N=O Amb17618622 [2,0,0,0,0,0|2,0,0]=4 922 B7R0.2 CN(CO)CC(=O)O Amb27663224 [2,0,0,0,0,0|1,0,0]=3 923 B7R0.2 CNC(C)CC(=O)O Amb21959674 [2,0,0,0,0,0|1,0,1]=4 924 B7R0.2 CNC(C)CC(=O)O Amb9398363 [2,0,0,0,0,0|1,0,1]=4 925 B7R0.2 CN[C@H](C)CC(=O)O Amb25339129 [2,0,0,0,0,0|1,0,1]=4 926 B7R0.2 COC(C)CC(=O)O Amb4001695 [2,0,0,0,0,0|1,0,1]=4 927 B7R0.2 CO[C@H](C)CC(=O)O Amb27266082 [2,0,0,0,0,0|1,0,1]=4 928 B7R0.2 CSC(C)CC(=O)O Amb18967824 [2,0,0,0,0,0|1,0,1]=4 929 B7R0.2 CS[C@H](C)CC(=O)O Amb27648548 [2,0,0,0,0,0|1,0,1]=4 930 B7R0.2 C[C@@H](CCl)CC(=O)Cl Amb27855839 [2,0,0,0,0,0|2,0,0]=4 931 B7R0.2 C[C@@H](CN)CC(=O)O Amb26864355 [2,0,0,0,0,0|1,0,0]=3 932 B7R0.2 C[C@@H](CN)CC(=O)O Amb32656230 [2,0,0,0,0,0|1,0,0]=3 933 B7R0.2 C[C@H](CN)CC(=O)O Amb26887694 [2,0,0,0,0,0|1,0,0]=3 934 B7R0.2 C[C@H](CN)CC(=O)O Amb32663834 [2,0,0,0,0,0|1,0,0]=3 935 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [2,0,0,0,0,0|0,0,0]=2 936 B7R0.2 C\C(=C/C(=O)O)CO Amb18641871 [2,0,0,0,0,0|0,0,2]=4 937 B7R0.2 C\C(CC(=O)O)=N/O Amb28388976 [2,0,0,0,0,0|1,0,1]=4 938 B7R0.2 NC(=O)CC(Br)CO Amb28384721 [2,0,0,0,0,0|2,0,0]=4 939 B7R0.2 NC(=O)CC(O)CO Amb25662216 [2,0,0,0,0,0|2,0,0]=4 940 B7R0.2 NC(=O)C[C@H](O)CO Amb8388588 [2,0,0,0,0,0|2,0,0]=4 941 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [2,0,0,0,0,0|1,0,0]=3 942 B7R0.2 NC(CF)CC(=O)O Amb24428065 [2,0,0,0,0,0|2,0,0]=4 943 B7R0.2 NC(CS)CC(=O)O Amb25090412 [2,0,0,0,0,0|1,1,0]=4 944 B7R0.2 NCC(N)CC(=O)O Amb19515145 [2,0,0,0,0,0|2,0,0]=4 945 B7R0.2 NCC(N)CC(=O)O Amb21858324 [2,0,0,0,0,0|2,0,0]=4 946 B7R0.2 NCC(O)CC(=O)O Amb32663899 [2,0,0,0,0,0|2,0,0]=4 947 B7R0.2 NCC(O)CC(=O)O Amb33544754 [2,0,0,0,0,0|2,0,0]=4 948 B7R0.2 NC[C@@H](F)CC(=O)O Amb27481078 [2,0,0,0,0,0|2,0,0]=4 949 B7R0.2 NC[C@@H](N)CC(=O)O Amb10603267 [2,0,0,0,0,0|2,0,0]=4 950 B7R0.2 NC[C@@H](O)CC(=O)O Amb32665211 [2,0,0,0,0,0|2,0,0]=4 951 B7R0.2 NC[C@@H](O)CC(=O)O Amb8386098 [2,0,0,0,0,0|2,0,0]=4 952 B7R0.2 NC[C@H](O)CC(=O)O Amb8628962 [2,0,0,0,0,0|2,0,0]=4 953 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [2,0,0,0,0,0|1,0,0]=3 954 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [2,0,0,0,0,0|1,0,0]=3 955 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [2,0,0,0,0,0|1,0,0]=3 956 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [2,0,0,0,0,0|1,0,0]=3 957 B7R0.2 N[C@H](CS)CC(=O)O Amb28326106 [2,0,0,0,0,0|1,1,0]=4 958 B7R0.2 O=C(O)CC(O)CBr Amb27592126 [2,0,0,0,0,0|2,0,0]=4 959 B7R0.2 O=C(O)CC(O)CF Amb26557587 [2,0,0,0,0,0|2,0,0]=4 960 B7R0.2 O=C(O)CC(O)CO Amb28120003 [2,0,0,0,0,0|1,0,0]=3 961 B7R0.2 O=C(O)CC(O)CS Amb27244674 [2,0,0,0,0,0|1,1,0]=4 962 B7R0.2 O=C(O)C[C@@H](O)CF Amb33377449 [2,0,0,0,0,0|2,0,0]=4 963 B7R0.2 O=C(O)C[C@H](O)CBr Amb28325607 [2,0,0,0,0,0|2,0,0]=4 964 B7R0.2 O=C(O)C[C@H](O)CCl Amb27830780 [2,0,0,0,0,0|2,0,0]=4 965 B7R0.2 O=C(O)C[C@H](O)CF Amb33377451 [2,0,0,0,0,0|2,0,0]=4 966 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [2,0,0,0,0,0|1,0,0]=3 967 B7R0.2 O=C([O-])CC(O)CO Amb24117078 [2,0,0,0,0,0|1,0,1]=4 968 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [2,0,0,0,0,0|2,0,0]=4 969 B7R0.4 C#CCCCC(=O)O Amb2721705 [2,0,0,0,0,0|1,0,1]=4 970 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [2,0,0,0,0,0|2,0,0]=4 971 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [2,0,0,0,0,0|2,0,0]=4 972 B7R0.4 C=CCCCC(=O)O Amb3941675 [2,0,0,0,0,0|1,0,0]=3 973 B7R0.4 C=CCCCC(C)=O Amb17593171 [2,0,0,0,0,0|2,0,0]=4 974 B7R0.4 C=CCNCC(=O)O Amb7766404 [2,0,0,0,0,0|2,0,0]=4 975 B7R0.4 C=CCNCC(=O)O Amb8631497 [2,0,0,0,0,0|2,0,0]=4 976 B7R0.4 C=CCOCC(=O)O Amb9208694 [2,0,0,0,0,0|2,0,0]=4 977 B7R0.4 C=CCSCC(=O)O Amb33526723 [2,0,0,0,0,0|2,0,0]=4 978 B7R0.4 C=CNCCC(=O)O Amb27429817 [2,0,0,0,0,0|2,0,0]=4 979 B7R0.4 C=COCCC(=O)O Amb28350126 [2,0,0,0,0,0|2,0,0]=4 980 B7R0.4 CC(=O)CCCCO Amb10603864 [2,0,0,0,0,0|1,0,1]=4 981 B7R0.4 CC(=O)NCCC=O Amb17102165 [2,0,0,0,0,0|2,0,0]=4 982 B7R0.4 CC(=O)SCCC=O Amb25101351 [2,0,0,0,0,0|2,0,0]=4 983 B7R0.4 CC(O)CCCC=O Amb18641887 [2,0,0,0,0,0|1,0,1]=4 984 B7R0.4 CCCCCC(=O)O Amb3939846 [2,0,0,0,0,0|1,0,1]=4 985 B7R0.4 CNCCCC(=O)O Amb1153115 [2,0,0,0,0,0|2,0,0]=4 986 B7R0.4 CNCCCC(=O)O Amb4521435 [2,0,0,0,0,0|2,0,0]=4 987 B7R0.4 COCCCC(=O)O Amb6275629 [2,0,0,0,0,0|2,0,0]=4 988 B7R0.4 CSCCCC(=O)O Amb17503622 [2,0,0,0,0,0|2,0,0]=4 989 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [2,0,0,0,0,0|1,0,1]=4 990 B7R0.4 N#CCCCC(=O)O Amb33542831 [2,0,0,0,0,0|1,0,1]=4 991 B7R0.4 NC(=O)CCCCO Amb3939470 [2,0,0,0,0,0|1,0,1]=4 992 B7R0.4 NCCCCC(=O)O Amb2780021 [2,0,0,0,0,0|1,0,1]=4 993 B7R0.4 NCCCCC(=O)O Amb3941646 [2,0,0,0,0,0|1,0,1]=4 994 B7R0.4 NCCCCC(=O)O Amb9825855 [2,0,0,0,0,0|1,0,1]=4 995 B7R0.4 NOCCCC(=O)O Amb10975956 [2,0,0,0,0,0|2,0,0]=4 996 B7R0.4 NOCCCC(=O)O Amb22011795 [2,0,0,0,0,0|2,0,0]=4 997 B7R0.4 NOCCCC(=O)O Amb31283653 [2,0,0,0,0,0|2,0,0]=4 998 B7R0.4 O=C(O)CCCCBr Amb6608763 [2,0,0,0,0,0|1,0,1]=4 999 B7R0.4 O=C(O)CCCCCl Amb3940369 [2,0,0,0,0,0|1,0,1]=4 1000 B7R0.4 O=C(O)CCCCF Amb26639920 [2,0,0,0,0,0|1,0,1]=4 1001 B7R0.4 O=C(O)CCCCO Amb9214971 [2,0,0,0,0,0|0,0,1]=3 1002 B7R0.4 O=C(O)CCCCS Amb17503767 [2,0,0,0,0,0|0,1,1]=4 1003 B7R0.4 O=C(O)CCCNCl Amb27173950 [2,0,0,0,0,0|2,0,0]=4 1004 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|1,0,1]=4 1005 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [2,0,0,0,0,0|1,0,1]=4 1006 B7R0.4 O=C(O)CNCCO Amb9325653 [2,0,0,0,0,0|1,0,1]=4 1007 B7R0.4 O=C(O)COCCO Amb6680914 [2,0,0,0,0,0|1,0,1]=4 1008 B7R0.4 O=C([O-])CCCCO Amb13952763 [2,0,0,0,0,0|0,0,2]=4 1009 B7R0.4 O=C([O-])CCCCO Amb22749314 [2,0,0,0,0,0|0,0,2]=4 1010 B7R0.4 O=C=NCCC(=O)O Amb26053417 [2,0,0,0,0,0|1,0,1]=4 1011 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|0,0,0]=2 1012 B7R0.4 O=CCCCC(O)O Amb25889261 [2,0,0,0,0,0|0,0,2]=4 1013 B7R0.4 O=CNCCC(=O)O Amb18290434 [2,0,0,0,0,0|1,0,0]=3 1014 B7R0.4 O=CNOCC(=O)O Amb27477273 [2,0,0,0,0,0|2,0,0]=4 1015 B7R0.4 O=NSCCC(=O)O Amb28429846 [2,0,0,0,0,0|2,0,0]=4 1016 B7R0.7 C=CCC(C)CCO Amb27603507 [2,0,0,0,0,0|1,0,1]=4 1017 B7R0.7 CC(CC=O)CC=O Amb17593183 [2,0,0,0,0,0|0,0,0]=2 1018 B7R0.7 CC(CCO)CCO Amb17939001 [2,0,0,0,0,0|0,0,2]=4 1019 B7R0.7 CCC[C@@H](C)CC=O Amb27393066 [2,0,0,0,0,0|1,0,1]=4 1020 B7R0.7 C\C=C\C(C)CC=O Amb25366468 [2,0,0,0,0,0|1,0,1]=4 1021 B7R0.7 C\C=C\[C@@H](C)CC=O Amb27791915 [2,0,0,0,0,0|1,0,1]=4 1022 B9R0.4 C=CCCC(C)CC(C)=O Amb24738371 [1,1,0,0,0,0|2,0,0]=4 1023 B9R0.4 C=CCCC(N)CC(=O)O Amb22641959 [1,1,0,0,0,0|2,0,0]=4 1024 B9R0.4 C=CCCC(N)CC(=O)O Amb31307612 [1,1,0,0,0,0|2,0,0]=4 1025 B9R0.4 C=CCC[C@@H](C)CC(=O)O Amb27390713 [1,1,0,0,0,0|1,0,0]=3 1026 B9R0.4 C=CCC[C@H](N)CC(=O)O Amb10066917 [1,1,0,0,0,0|2,0,0]=4 1027 B9R0.4 C=CCSC(C)CC(C)=O Amb28076621 [1,1,0,0,0,0|2,0,0]=4 1028 B9R0.4 CC(=O)CC(C)CCC=O Amb27838122 [1,1,0,0,0,0|1,0,0]=3 1029 B9R0.4 CC(=O)CC(C)\C=C\C=O Amb24442359 [1,1,0,0,0,0|1,0,1]=4 1030 B9R0.4 CC(CC(=O)O)NCCF Amb28144859 [1,1,0,0,0,0|1,0,1]=4 1031 B9R0.4 CC(CC(=O)O)NCCO Amb9398895 [1,1,0,0,0,0|0,0,1]=3 1032 B9R0.4 CC(CC(=O)O)SCCN Amb18788220 [1,1,0,0,0,0|1,0,1]=4 1033 B9R0.4 CC(CC(=O)O)SCCO Amb9481722 [1,1,0,0,0,0|0,0,1]=3 1034 B9R0.4 CC(CCC=O)CC(=O)O Amb28251065 [1,1,0,0,0,0|0,0,0]=2 1035 B9R0.4 CC(CCCCl)CC(=O)O Amb18646190 [1,1,0,0,0,0|1,0,1]=4 1036 B9R0.4 CC(CCCO)CC(=O)O Amb28050163 [1,1,0,0,0,0|0,0,1]=3 1037 B9R0.4 CC(CCCS)CC(=O)O Amb27443015 [1,1,0,0,0,0|0,1,1]=4 1038 B9R0.4 CC(O)CC(C)CNC=O Amb27215027 [1,1,0,0,0,0|1,0,1]=4 1039 B9R0.4 CCCCC(C)CC(=O)O Amb6740296 [1,1,0,0,0,0|1,0,1]=4 1040 B9R0.4 CCCC[C@@H](C)CC(=O)O Amb25887593 [1,1,0,0,0,0|1,0,1]=4 1041 B9R0.4 CCCC[C@H](C)CC(=O)O Amb27424971 [1,1,0,0,0,0|1,0,1]=4 1042 B9R0.4 CCNCC(C)CC(=O)O Amb27602707 [1,1,0,0,0,0|1,0,1]=4 1043 B9R0.4 CCSCC(C)CC(=O)O Amb33324046 [1,1,0,0,0,0|1,0,1]=4 1044 B9R0.4 CC\C=C\C(C)CC(=O)O Amb32954891 [1,1,0,0,0,0|1,0,1]=4 1045 B9R0.4 COCCC(C)CC(=O)O Amb27973352 [1,1,0,0,0,0|0,0,1]=3 1046 B9R0.4 COCCC(N)CC(=O)O Amb32687893 [1,1,0,0,0,0|1,0,1]=4 1047 B9R0.4 COCCC(O)CC(=O)O Amb33377806 [1,1,0,0,0,0|1,0,1]=4 1048 B9R0.4 COCCN(C)CC(=O)O Amb22587006 [1,1,0,0,0,0|1,0,1]=4 1049 B9R0.4 COCCN(C)CC(=O)O Amb22587626 [1,1,0,0,0,0|1,0,1]=4 1050 B9R0.4 COCCN(C)CC(=O)O Amb9173718 [1,1,0,0,0,0|1,0,1]=4 1051 B9R0.4 COCC[C@@H](O)CC(=O)O Amb33377805 [1,1,0,0,0,0|1,0,1]=4 1052 B9R0.4 COCC[C@H](O)CC(=O)O Amb33377804 [1,1,0,0,0,0|1,0,1]=4 1053 B9R0.4 COCOC(C)CC(=O)O Amb28141098 [1,1,0,0,0,0|1,0,1]=4 1054 B9R0.4 CONCC(O)CC(=O)O Amb28071252 [1,1,0,0,0,0|2,0,0]=4 1055 B9R0.4 CSCCC(C)CC(=O)O Amb26651819 [1,1,0,0,0,0|0,1,1]=4 1056 B9R0.4 C[C@@H](CCC=O)CC(=O)O Amb27614920 [1,1,0,0,0,0|0,0,0]=2 1057 B9R0.4 C\C=C/C[C@@H](O)CC(=O)O Amb28050083 [1,1,0,0,0,0|2,0,0]=4 1058 B9R0.6 C#CCC(C)C(C)C(=O)O Amb28049486 [1,1,0,0,0,0|1,0,1]=4 1059 B9R0.6 C=CCC(C)C(C)C(=O)O Amb18643938 [1,1,0,0,0,0|1,0,0]=3 1060 B9R0.6 C=CCC(C)C(N)C(=O)O Amb26381874 [1,1,0,0,0,0|1,0,0]=3 1061 B9R0.6 C=CCC(C)C(N)C(N)=O Amb33066012 [1,1,0,0,0,0|2,0,0]=4 1062 B9R0.6 C=CCC(C)[C@@H](N)C(=O)O Amb33037030 [1,1,0,0,0,0|1,0,0]=3 1063 B9R0.6 C=CCC(C)[C@H](N)C(=O)O Amb32865926 [1,1,0,0,0,0|1,0,0]=3 1064 B9R0.6 CC(=O)C(C)C(C)CC=O Amb27827459 [1,1,0,0,0,0|1,0,0]=3 1065 B9R0.6 CC(=O)C(O)C(O)CC=O Amb28050017 [1,1,0,0,0,0|2,0,0]=4 1066 B9R0.6 CC(C(=O)O)N(C)CCO Amb5767856 [1,1,0,0,0,0|1,0,1]=4 1067 B9R0.6 CC(CC#N)C(C)C(=O)O Amb35719228 [1,1,0,0,0,0|1,0,1]=4 1068 B9R0.6 CC(CC#N)C(N)C(=O)O Amb33066130 [1,1,0,0,0,0|1,0,1]=4 1069 B9R0.6 CC(CC#N)[C@@H](N)C(=O)O Amb33308829 [1,1,0,0,0,0|1,0,1]=4 1070 B9R0.6 CC(CC#N)[C@H](N)C(=O)O Amb32865927 [1,1,0,0,0,0|1,0,1]=4 1071 B9R0.6 CC(CC=O)C(C)C(=O)O Amb18644133 [1,1,0,0,0,0|0,0,0]=2 1072 B9R0.6 CC(OC=O)C(N)C(=O)O Amb27456598 [1,1,0,0,0,0|1,0,0]=3 1073 B9R0.6 CCCC(C)C(C)C(=O)O Amb28050123 [1,1,0,0,0,0|1,0,1]=4 1074 B9R0.6 CCCC(C)C(N)C(=O)O Amb20622789 [1,1,0,0,0,0|1,0,1]=4 1075 B9R0.6 CCCC(C)C(O)C(=O)O Amb27809670 [1,1,0,0,0,0|1,0,1]=4 1076 B9R0.6 CCCC(C)[C@@H](C)C(=O)O Amb33727115 [1,1,0,0,0,0|1,0,1]=4 1077 B9R0.6 CCCC(C)[C@@H](N)C(=O)O Amb26624121 [1,1,0,0,0,0|1,0,1]=4 1078 B9R0.6 CCCC(C)[C@H](C)C(=O)O Amb33749068 [1,1,0,0,0,0|1,0,1]=4 1079 B9R0.6 CCCC(C)[C@H](N)C(=O)O Amb26512364 [1,1,0,0,0,0|1,0,1]=4 1080 B9R0.6 CCC[C@@H](C)[C@@H](C)C(=O)O Amb27961440 [1,1,0,0,0,0|1,0,1]=4 1081 B9R0.6 CCC[C@H](C)[C@@H](N)C(=O)O Amb27801051 [1,1,0,0,0,0|1,0,1]=4 1082 B9R0.6 CCC[C@H](C)[C@@H](O)C(=O)O Amb28050149 [1,1,0,0,0,0|1,0,1]=4 1083 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O Amb29838293 [1,1,0,0,0,0|1,0,1]=4 1084 B9R0.6 COCC(C)C(C)C(=O)O Amb26369700 [1,1,0,0,0,0|2,0,0]=4 1085 B9R0.6 COCC(C)C(N)C(=O)O Amb24116980 [1,1,0,0,0,0|2,0,0]=4 1086 B9R0.6 COCC(C)C(O)C(=O)O Amb27596283 [1,1,0,0,0,0|2,0,0]=4 1087 B9R0.6 COCC(C)[C@@H](N)C(=O)O Amb26467489 [1,1,0,0,0,0|2,0,0]=4 1088 B9R0.6 COCC(C)[C@H](N)C(=O)O Amb25729786 [1,1,0,0,0,0|2,0,0]=4 1089 B9R0.6 CSCC(C)C(N)C(=O)O Amb27161222 [1,1,0,0,0,0|2,0,0]=4 1090 B9R0.6 CSCC(C)[C@H](N)C(=O)O Amb28137881 [1,1,0,0,0,0|2,0,0]=4 1091 B9R0.6 CSC[C@@H](C)C(N)C(=O)O Amb27629392 [1,1,0,0,0,0|2,0,0]=4 1092 B9R0.6 C[C@@H](CCCl)[C@H](N)C(=O)O Amb28203940 [1,1,0,0,0,0|1,0,1]=4 1093 B9R0.6 C[C@@H](OC=O)[C@H](N)C(=O)O Amb27972267 [1,1,0,0,0,0|1,0,0]=3 1094 B9R0.6 C[C@H](C(=O)O)[C@@H](C)OC=O Amb27391147 [1,1,0,0,0,0|1,0,0]=3 1095 B9R0.6 C[C@H](OC=O)[C@H](C)C(=O)O Amb27620887 [1,1,0,0,0,0|1,0,0]=3 1096 B9R0.6 C\C=C\C(C)C(C)C(=O)O Amb28346501 [1,1,0,0,0,0|1,0,1]=4 1097 B9R0.6 C\C=C\[C@@H](C)[C@H](Br)C(=O)O Amb27849000 [1,1,0,0,0,0|1,0,1]=4 1098 B9R0.6 C\C=C\[C@H](C)[C@H](C)C(=O)O Amb27630536 [1,1,0,0,0,0|1,0,1]=4 1099 B9R0.14 C=CC(CC(=O)O)NC=O Amb28340941 [1,1,0,0,0,0|1,0,1]=4 1100 B9R0.14 C=CCN(CC)CC(=O)O Amb27213293 [1,1,0,0,0,0|2,0,0]=4 1101 B9R0.14 CCC(CC(=O)O)NC=O Amb27863300 [1,1,0,0,0,0|1,0,0]=3 1102 B9R0.14 CCC(CC=O)CC(C)=O Amb26587505 [1,1,0,0,0,0|1,0,0]=3 1103 B9R0.14 CCC(CC=O)CC(C)O Amb27792701 [1,1,0,0,0,0|1,0,1]=4 1104 B9R0.14 CCC(CC=O)NC(C)=O Amb27237530 [1,1,0,0,0,0|2,0,0]=4 1105 B9R0.14 CCC(CCO)CC(=O)O Amb27216253 [1,1,0,0,0,0|0,0,1]=3 1106 B9R0.14 CCC(COC)CC(=O)O Amb18202336 [1,1,0,0,0,0|2,0,0]=4 1107 B9R0.14 CCCC(CC(=O)O)SC Amb27660749 [1,1,0,0,0,0|1,0,1]=4 1108 B9R0.14 CCCC(CC)CC(=O)O Amb18124694 [1,1,0,0,0,0|1,0,1]=4 1109 B9R0.14 CCCC(CI)CC(=O)O Amb8395787 [1,1,0,0,0,0|1,0,1]=4 1110 B9R0.14 CCCC(CN)CC(=O)O Amb24587738 [1,1,0,0,0,0|1,0,1]=4 1111 B9R0.14 CCN(CCO)CC(=O)O Amb5761133 [1,1,0,0,0,0|1,0,1]=4 1112 B9R0.14 CC[C@H](CC=O)NC(C)=O Amb28050247 [1,1,0,0,0,0|2,0,0]=4 1113 B9R0.14 COCC(CN)CC(=O)O Amb33428858 [1,1,0,0,0,0|2,0,0]=4 1114 B9R0.14 CSCC(CN)CC(=O)O Amb33272064 [1,1,0,0,0,0|2,0,0]=4 1115 B9R0.14 C\C=C\[C@@H](CC)CC(=O)O Amb28422930 [1,1,0,0,0,0|1,0,1]=4 1116 B9R0.14 NCC(CCF)CC(=O)O Amb33196466 [1,1,0,0,0,0|1,0,1]=4 1117 B9R0.14 O=C(O)CN(CO)CCO Amb27424060 [1,1,0,0,0,0|1,0,1]=4 1118 B9R0.23 C=CC(C)C(C)CC(C)=O Amb27424833 [1,1,0,0,0,0|2,0,0]=4 1119 B9R0.23 CC(=O)CC(C)C(C)C=O Amb28049891 [1,1,0,0,0,0|1,0,0]=3 1120 B9R0.23 CC(=O)O[C@@H](C)[C@H](O)C=O Amb27194323 [1,1,0,0,0,0|2,0,0]=4 1121 B9R0.23 CC(C=O)C(C)CC(=O)O Amb27838156 [1,1,0,0,0,0|0,0,0]=2 1122 B9R0.23 CC(CC(=O)O)C(N)CO Amb27843636 [1,1,0,0,0,0|0,0,1]=3 1123 B9R0.23 CCC(C)C(C)CC(=O)O Amb18304200 [1,1,0,0,0,0|1,0,1]=4 1124 B9R0.23 COC(C)C(C)CC(=O)O Amb18202340 [1,1,0,0,0,0|2,0,0]=4 1125 B9R0.23 C[C@H](C=O)[C@@H](C)CC(=O)O Amb27874077 [1,1,0,0,0,0|0,0,0]=2 1126 B9R0.23 C[C@H](CO)N(C)CC(=O)O Amb28254590 [1,1,0,0,0,0|1,0,1]=4 1127 B9R0.23 NC(CO)C(N)CC(=O)O Amb27804493 [1,1,0,0,0,0|1,0,1]=4 1128 B9R0.23 N[C@@H](CO)[C@H](N)CC(=O)O Amb27594534 [1,1,0,0,0,0|1,0,1]=4 1129 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO Amb24726353 [1,1,0,0,0,0|1,0,1]=4 1130 B9R0.34 C=CC[C@@H](C)CC(=O)OC Amb27265905 [1,1,0,0,0,0|1,0,0]=3 1131 B9R0.34 CCC(=O)OC(C)CC=O Amb27754101 [1,1,0,0,0,0|2,0,0]=4 1132 B9R0.34 CCCC(C)CC(=O)NO Amb27604245 [1,1,0,0,0,0|1,0,1]=4 1133 B9R0.34 CCCC(C)CC(=O)OC Amb25125122 [1,1,0,0,0,0|1,0,1]=4 1134 B9R0.34 CNC(=O)NC(C)CC=O Amb27804182 [1,1,0,0,0,0|2,0,0]=4 1135 B9R0.34 COC(=O)CC(=O)CC=O Amb27799198 [1,1,0,0,0,0|1,0,1]=4 1136 B9R0.34 COC(=O)CC(C)CCN Amb24546678 [1,1,0,0,0,0|1,0,1]=4 1137 B9R0.34 COC(=O)CC(C)N=C=O Amb27863975 [1,1,0,0,0,0|1,0,1]=4 1138 B9R0.34 COC(=O)CC(C)NC=O Amb27403115 [1,1,0,0,0,0|1,0,0]=3 1139 B9R0.34 COC(=O)CC(N)CCO Amb27250761 [1,1,0,0,0,0|1,0,1]=4 1140 B9R0.34 COC(=O)CN(C)CCO Amb27837585 [1,1,0,0,0,0|1,0,1]=4 1141 B9R0.34 COC(=O)C[C@@H](C)CCO Amb27946901 [1,1,0,0,0,0|0,0,1]=3 1142 B9R0.34 COC(=O)C[C@@H](C)N=C=O Amb33471399 [1,1,0,0,0,0|1,0,1]=4 1143 B9R0.34 COC(=O)C[C@H](C)N=C=O Amb33471412 [1,1,0,0,0,0|1,0,1]=4 1144 B9R0.34 COC(=O)N[C@H](C)CCO Amb27261062 [1,1,0,0,0,0|1,0,1]=4 1145 B9R0.34 COC(=O)OC(C)CCO Amb28065268 [1,1,0,0,0,0|1,0,1]=4 1146 B9R0.34 COCC(C)CC(=O)NO Amb27485247 [1,1,0,0,0,0|2,0,0]=4 1147 B9R0.58 C=CCC(C)(C)CC(=O)O Amb18643902 [1,1,0,0,0,0|1,0,0]=3 1148 B9R0.58 C=CC[C@@](C)(O)CC(C)=O Amb28399049 [1,1,0,0,0,0|2,0,0]=4 1149 B9R0.58 CC(=O)CC(C)(C)NC=O Amb25756849 [1,1,0,0,0,0|2,0,0]=4 1150 B9R0.58 CC(C)(CC(=O)O)N=C=O Amb25840671 [1,1,0,0,0,0|1,0,1]=4 1151 B9R0.58 CC(C)(CC(=O)O)NC=O Amb26392221 [1,1,0,0,0,0|1,0,0]=3 1152 B9R0.58 CC(C)(CC=O)CC(=O)O Amb18644096 [1,1,0,0,0,0|0,0,0]=2 1153 B9R0.58 CC(C)(CCCl)CC(=O)O Amb18646188 [1,1,0,0,0,0|1,0,1]=4 1154 B9R0.58 CC(C)(CCF)CC(=O)O Amb33196450 [1,1,0,0,0,0|1,0,1]=4 1155 B9R0.58 CC(O)(CCCl)CC(=O)O Amb28134781 [1,1,0,0,0,0|1,0,1]=4 1156 B9R0.58 CC(O)(CCS)CC(=O)O Amb27232619 [1,1,0,0,0,0|0,1,1]=4 1157 B9R0.58 CC(O)CC(C)(C)CC=O Amb27967926 [1,1,0,0,0,0|1,0,1]=4 1158 B9R0.58 CCCC(C)(C)CC(=O)O Amb22229019 [1,1,0,0,0,0|1,0,1]=4 1159 B9R0.58 CCCC(C)(N)CC(=O)O Amb27489892 [1,1,0,0,0,0|1,0,1]=4 1160 B9R0.58 CCCC(C)(O)CC(=O)O Amb18310709 [1,1,0,0,0,0|1,0,1]=4 1161 B9R0.58 CNCC(C)(C)CC(=O)O Amb24116872 [1,1,0,0,0,0|2,0,0]=4 1162 B9R0.58 COCC(C)(C)CC(=O)O Amb33551195 [1,1,0,0,0,0|2,0,0]=4 1163 B9R0.58 COCC(C)(N)CC(=O)O Amb27158999 [1,1,0,0,0,0|2,0,0]=4 1164 B9R0.58 COCC(C)(N)CC(=O)O Amb33620555 [1,1,0,0,0,0|2,0,0]=4 1165 B9R0.58 COCC(C)(O)CC(=O)O Amb18312293 [1,1,0,0,0,0|2,0,0]=4 1166 B9R0.58 CSCC(C)(C)CC(=O)O Amb33272052 [1,1,0,0,0,0|2,0,0]=4 1167 B9R0.58 CSCC(C)(N)CC(=O)O Amb33254915 [1,1,0,0,0,0|2,0,0]=4 1168 B9R0.58 CSCC(C)(O)CC(=O)O Amb33036115 [1,1,0,0,0,0|2,0,0]=4 1169 B9R0.58 C[C@](O)(CC=O)CC(=O)O Amb27425000 [1,1,0,0,0,0|0,0,0]=2 1170 B9R0.58 C\C=C\C(C)(N)CC(=O)O Amb33036295 [1,1,0,0,0,0|1,0,1]=4 1171 B9R0.58 C\C=C\C(C)(O)CC(=O)O Amb33036111 [1,1,0,0,0,0|1,0,1]=4 1172 B9R0.1 C=C(Br)CCCC(=O)OC Amb24717516 [1,1,0,0,0,0|2,0,0]=4 1173 B9R0.1 C=C(C)CCCC(=O)OC Amb25995990 [1,1,0,0,0,0|2,0,0]=4 1174 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [1,1,0,0,0,0|2,0,0]=4 1175 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [1,1,0,0,0,0|1,0,0]=3 1176 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [1,1,0,0,0,0|2,0,0]=4 1177 B9R0.1 C=CC(=O)NCCC(=O)O Amb6257105 [1,1,0,0,0,0|2,0,0]=4 1178 B9R0.1 C=CC(=O)OCCC(=O)O Amb18644058 [1,1,0,0,0,0|2,0,0]=4 1179 B9R0.1 CC(=O)CCCC(=O)NO Amb27980256 [1,1,0,0,0,0|1,0,0]=3 1180 B9R0.1 CC(=O)CCC\C(C)=N\O Amb28434847 [1,1,0,0,0,0|2,0,0]=4 1181 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [1,1,0,0,0,0|1,0,1]=4 1182 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [1,1,0,0,0,0|2,0,0]=4 1183 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [1,1,0,0,0,0|2,0,0]=4 1184 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [1,1,0,0,0,0|2,0,0]=4 1185 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [1,1,0,0,0,0|1,0,1]=4 1186 B9R0.1 CCN(O)CCCC(=O)O Amb27630754 [1,1,0,0,0,0|2,0,0]=4 1187 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [1,1,0,0,0,0|2,0,0]=4 1188 B9R0.1 CNC(=O)CCCC(=O)[O-] Amb24271120 [1,1,0,0,0,0|1,0,1]=4 1189 B9R0.1 CNC(=O)CNCC(=O)O Amb8943036 [1,1,0,0,0,0|2,0,0]=4 1190 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [1,1,0,0,0,0|2,0,0]=4 1191 B9R0.1 CNC(=O)CSCC(=O)O Amb6251930 [1,1,0,0,0,0|2,0,0]=4 1192 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [1,1,0,0,0,0|2,0,0]=4 1193 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [1,1,0,0,0,0|1,0,1]=4 1194 B9R0.1 COC(=O)CCCC(=O)Cl Amb3939328 [1,1,0,0,0,0|1,0,0]=3 1195 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [1,1,0,0,0,0|0,0,0]=2 1196 B9R0.1 COC(=O)CCCC(=O)[O-] Amb33948529 [1,1,0,0,0,0|0,0,1]=3 1197 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,1,0,0,0,0|1,0,0]=3 1198 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [1,1,0,0,0,0|1,0,1]=4 1199 B9R0.1 COC(=O)CCCC(N)=O Amb27882411 [1,1,0,0,0,0|1,0,0]=3 1200 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [1,1,0,0,0,0|1,1,0]=4 1201 B9R0.1 COC(=O)CCCS(=O)Cl Amb26409514 [1,1,0,0,0,0|2,0,0]=4 1202 B9R0.1 COC(=O)CCCS(=O)[O-] Amb25914636 [1,1,0,0,0,0|1,0,1]=4 1203 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [1,1,0,0,0,0|2,0,0]=4 1204 B9R0.1 COC(=O)CCCS(N)=O Amb32720319 [1,1,0,0,0,0|2,0,0]=4 1205 B9R0.1 COC(=O)CCC[C@H](C)O Amb27839593 [1,1,0,0,0,0|1,0,1]=4 1206 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [1,1,0,0,0,0|1,0,1]=4 1207 B9R0.1 COC(=O)CCNC(C)=O Amb15691935 [1,1,0,0,0,0|2,0,0]=4 1208 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [1,1,0,0,0,0|2,0,0]=4 1209 B9R0.1 COC(=O)CCOC(C)=O Amb27972208 [1,1,0,0,0,0|2,0,0]=4 1210 B9R0.1 COC(=O)CCSC(=O)Cl Amb26446360 [1,1,0,0,0,0|2,0,0]=4 1211 B9R0.1 COC(=O)CCSC(N)=O Amb28254662 [1,1,0,0,0,0|2,0,0]=4 1212 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [1,1,0,0,0,0|1,0,0]=3 1213 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [1,1,0,0,0,0|1,0,0]=3 1214 B9R0.1 COC(=O)COCC(C)=O Amb8392403 [1,1,0,0,0,0|2,0,0]=4 1215 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [1,1,0,0,0,0|1,0,0]=3 1216 B9R0.1 COC(=O)CSCC(C)=O Amb2444691 [1,1,0,0,0,0|2,0,0]=4 1217 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [1,1,0,0,0,0|1,0,0]=3 1218 B9R0.1 COC(=O)OCCC(C)=O Amb28049880 [1,1,0,0,0,0|2,0,0]=4 1219 B9R0.1 COC(=S)SCCC(=O)O Amb27983821 [1,1,0,0,0,0|1,1,0]=4 1220 B9R0.1 CON(C)CCCC(=O)O Amb28126925 [1,1,0,0,0,0|2,0,0]=4 1221 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [1,1,0,0,0,0|1,0,0]=3 1222 B9R0.1 NC(=O)CCOC(=O)CO Amb28136694 [1,1,0,0,0,0|2,0,0]=4 1223 B9R0.1 NC(=O)CSCC(=O)NO Amb27764593 [1,1,0,0,0,0|2,0,0]=4 1224 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [1,1,0,0,0,0|1,0,1]=4 1225 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [1,1,0,0,0,0|1,0,0]=3 1226 B9R0.1 NCC(=O)CNCC(=O)O Amb27979091 [1,1,0,0,0,0|2,0,0]=4 1227 B9R0.1 NCC(=O)NCCC(=O)O Amb4018061 [1,1,0,0,0,0|2,0,0]=4 1228 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [1,1,0,0,0,0|1,0,1]=4 1229 B9R0.1 N\C(CNCC(=O)O)=N/O Amb27881601 [1,1,0,0,0,0|2,0,0]=4 1230 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [1,1,0,0,0,0|0,0,0]=2 1231 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [1,1,0,0,0,0|0,0,0]=2 1232 B9R0.1 O=C(O)CCNC(=O)CBr Amb17609911 [1,1,0,0,0,0|2,0,0]=4 1233 B9R0.1 O=C(O)CCNC(=O)CCl Amb2781692 [1,1,0,0,0,0|2,0,0]=4 1234 B9R0.1 O=C(O)CCNC(=O)CO Amb24478846 [1,1,0,0,0,0|1,0,0]=3 1235 B9R0.1 O=CN(O)CCCC(=O)O Amb25320259 [1,1,0,0,0,0|1,0,0]=3 1236 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [1,1,0,0,0,0|2,0,0]=4 1237 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [1,1,0,0,0,0|2,0,0]=4 1238 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [1,1,0,0,0,0|2,0,0]=4 1239 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [1,1,0,0,0,0|2,0,0]=4 1240 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [1,1,0,0,0,0|2,0,0]=4 1241 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [1,1,0,0,0,0|2,0,0]=4 1242 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [1,1,0,0,0,0|2,0,0]=4 1243 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [1,1,0,0,0,0|0,0,1]=3 1244 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [1,1,0,0,0,0|1,0,1]=4 1245 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [1,1,0,0,0,0|2,0,0]=4 1246 B9R0.7 C=C(F)C(N)CCC(=O)O Amb27849938 [1,1,0,0,0,0|2,0,0]=4 1247 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [1,1,0,0,0,0|1,0,0]=3 1248 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [1,1,0,0,0,0|2,0,0]=4 1249 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [1,1,0,0,0,0|1,0,0]=3 1250 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [1,1,0,0,0,0|1,0,0]=3 1251 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [1,1,0,0,0,0|1,0,0]=3 1252 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [1,1,0,0,0,0|2,0,0]=4 1253 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [1,1,0,0,0,0|1,0,0]=3 1254 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [1,1,0,0,0,0|1,0,0]=3 1255 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [1,1,0,0,0,0|2,0,0]=4 1256 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [1,1,0,0,0,0|1,0,0]=3 1257 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [1,1,0,0,0,0|1,0,0]=3 1258 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [1,1,0,0,0,0|2,0,0]=4 1259 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [1,1,0,0,0,0|2,0,0]=4 1260 B9R0.7 CC(=O)N(O)CCC(=O)O Amb28050128 [1,1,0,0,0,0|2,0,0]=4 1261 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [1,1,0,0,0,0|2,0,0]=4 1262 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [1,1,0,0,0,0|2,0,0]=4 1263 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [1,1,0,0,0,0|2,0,0]=4 1264 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [1,1,0,0,0,0|2,0,0]=4 1265 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [1,1,0,0,0,0|2,0,0]=4 1266 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [1,1,0,0,0,0|2,0,0]=4 1267 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [1,1,0,0,0,0|2,0,0]=4 1268 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [1,1,0,0,0,0|2,0,0]=4 1269 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [1,1,0,0,0,0|2,0,0]=4 1270 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [1,1,0,0,0,0|2,0,0]=4 1271 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [1,1,0,0,0,0|2,0,0]=4 1272 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [1,1,0,0,0,0|2,0,0]=4 1273 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [1,1,0,0,0,0|2,0,0]=4 1274 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [1,1,0,0,0,0|1,0,0]=3 1275 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [1,1,0,0,0,0|0,0,0]=2 1276 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [1,1,0,0,0,0|2,0,0]=4 1277 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [1,1,0,0,0,0|1,0,1]=4 1278 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [1,1,0,0,0,0|2,0,0]=4 1279 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [1,1,0,0,0,0|1,0,0]=3 1280 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [1,1,0,0,0,0|1,0,0]=3 1281 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [1,1,0,0,0,0|2,0,0]=4 1282 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [1,1,0,0,0,0|1,0,1]=4 1283 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [1,1,0,0,0,0|1,0,1]=4 1284 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [1,1,0,0,0,0|1,0,1]=4 1285 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [1,1,0,0,0,0|1,0,1]=4 1286 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [1,1,0,0,0,0|1,0,0]=3 1287 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [1,1,0,0,0,0|2,0,0]=4 1288 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [1,1,0,0,0,0|2,0,0]=4 1289 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [1,1,0,0,0,0|2,0,0]=4 1290 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [1,1,0,0,0,0|2,0,0]=4 1291 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [1,1,0,0,0,0|2,0,0]=4 1292 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [1,1,0,0,0,0|2,0,0]=4 1293 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [1,1,0,0,0,0|0,0,0]=2 1294 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [1,1,0,0,0,0|1,0,1]=4 1295 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [1,1,0,0,0,0|2,0,0]=4 1296 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [1,1,0,0,0,0|1,0,0]=3 1297 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [1,1,0,0,0,0|1,0,1]=4 1298 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [1,1,0,0,0,0|0,0,0]=2 1299 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [1,1,0,0,0,0|1,0,1]=4 1300 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [1,1,0,0,0,0|2,0,0]=4 1301 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [1,1,0,0,0,0|1,0,0]=3 1302 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [1,1,0,0,0,0|1,0,0]=3 1303 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [1,1,0,0,0,0|2,0,0]=4 1304 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [1,1,0,0,0,0|1,0,1]=4 1305 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [1,1,0,0,0,0|0,0,2]=4 1306 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [1,1,0,0,0,0|0,0,2]=4 1307 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [1,1,0,0,0,0|1,0,1]=4 1308 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [1,1,0,0,0,0|2,0,0]=4 1309 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [1,1,0,0,0,0|1,0,0]=3 1310 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [1,1,0,0,0,0|1,0,1]=4 1311 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [1,1,0,0,0,0|1,0,0]=3 1312 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [1,1,0,0,0,0|2,0,0]=4 1313 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [1,1,0,0,0,0|1,0,0]=3 1314 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [1,1,0,0,0,0|2,0,0]=4 1315 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [1,1,0,0,0,0|2,0,0]=4 1316 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [1,1,0,0,0,0|1,0,0]=3 1317 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [1,1,0,0,0,0|1,0,0]=3 1318 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [1,1,0,0,0,0|2,0,0]=4 1319 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [1,1,0,0,0,0|2,0,0]=4 1320 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [1,1,0,0,0,0|1,0,0]=3 1321 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [1,1,0,0,0,0|2,0,0]=4 1322 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [1,1,0,0,0,0|2,0,0]=4 1323 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [1,1,0,0,0,0|2,0,0]=4 1324 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [1,1,0,0,0,0|2,0,0]=4 1325 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [1,1,0,0,0,0|2,0,0]=4 1326 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [1,1,0,0,0,0|2,0,0]=4 1327 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [1,1,0,0,0,0|2,0,0]=4 1328 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [1,1,0,0,0,0|2,0,0]=4 1329 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [1,1,0,0,0,0|2,0,0]=4 1330 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [1,1,0,0,0,0|2,0,0]=4 1331 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [1,1,0,0,0,0|2,0,0]=4 1332 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [1,1,0,0,0,0|2,0,0]=4 1333 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [1,1,0,0,0,0|1,0,0]=3 1334 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [1,1,0,0,0,0|1,0,0]=3 1335 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [1,1,0,0,0,0|1,1,0]=4 1336 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [1,1,0,0,0,0|1,1,0]=4 1337 B9R0.7 NC(CCB(O)O)C(=O)O Amb22497480 [1,1,0,0,0,0|1,0,1]=4 1338 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [1,1,0,0,0,0|1,0,0]=3 1339 B9R0.7 NC(CCC(=O)O)B(O)O Amb26983348 [1,1,0,0,0,0|1,0,1]=4 1340 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [1,1,0,0,0,0|0,0,0]=2 1341 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [1,1,0,0,0,0|0,0,0]=2 1342 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [1,1,0,0,0,0|0,0,1]=3 1343 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [1,1,0,0,0,0|1,0,1]=4 1344 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [1,1,0,0,0,0|1,0,0]=3 1345 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [1,1,0,0,0,0|0,0,0]=2 1346 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [1,1,0,0,0,0|0,0,0]=2 1347 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [1,1,0,0,0,0|0,0,0]=2 1348 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [1,1,0,0,0,0|0,0,1]=3 1349 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [1,1,0,0,0,0|0,1,0]=3 1350 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [1,1,0,0,0,0|1,0,0]=3 1351 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [1,1,0,0,0,0|1,0,0]=3 1352 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [1,1,0,0,0,0|1,0,0]=3 1353 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [1,1,0,0,0,0|0,0,0]=2 1354 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [1,1,0,0,0,0|0,0,1]=3 1355 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [1,1,0,0,0,0|0,0,1]=3 1356 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [1,1,0,0,0,0|0,0,1]=3 1357 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [1,1,0,0,0,0|0,0,0]=2 1358 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [1,1,0,0,0,0|0,0,0]=2 1359 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [1,1,0,0,0,0|0,0,0]=2 1360 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [1,1,0,0,0,0|0,0,0]=2 1361 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [1,1,0,0,0,0|0,0,0]=2 1362 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [1,1,0,0,0,0|0,0,0]=2 1363 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [1,1,0,0,0,0|0,0,0]=2 1364 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [1,1,0,0,0,0|0,0,0]=2 1365 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [1,1,0,0,0,0|1,0,1]=4 1366 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [1,1,0,0,0,0|1,0,1]=4 1367 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [1,1,0,0,0,0|0,0,2]=4 1368 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [1,1,0,0,0,0|2,0,0]=4 1369 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [1,1,0,0,0,0|0,0,2]=4 1370 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [1,1,0,0,0,0|0,0,2]=4 1371 B9R0.56 CC(C)(O)CCCC(=O)O Amb24340189 [1,1,0,0,0,0|1,0,1]=4 1372 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [1,1,0,0,0,0|1,0,0]=3 1373 B9R0.56 CS(=O)(=O)CCCC(=O)O Amb17503668 [1,1,0,0,0,0|1,0,1]=4 1374 B9R0.56 NP(=O)(O)CNCC(=O)O Amb27233408 [1,1,0,0,0,0|2,0,0]=4 1375 B9R0.56 NS(=O)(=O)CCCC(=O)O Amb6741827 [1,1,0,0,0,0|1,0,1]=4 1376 B9R0.56 O=C(O)CCCS(=O)(=O)Cl Amb28196571 [1,1,0,0,0,0|1,0,1]=4 1377 B9R0.56 O=C(O)CCCS(=O)(=O)O Amb27471573 [1,1,0,0,0,0|1,0,0]=3 1378 B9R0.56 O=C(O)CNCP(=O)(O)O Amb3941678 [1,1,0,0,0,0|2,0,0]=4 1379 B9R0.56 O=C(O)CNCP(=O)([O-])O Amb28995134 [1,1,0,0,0,0|2,0,0]=4 1380 B9R0.10 CC(CC(=O)O)C(C)(C)O Amb27815005 [0,1,0,0,1,0|1,0,1]=4 1381 B9R0.10 CC(CC(=O)O)S(=O)(=O)O Amb27634850 [0,1,0,0,1,0|1,0,0]=3 1382 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [0,1,0,0,1,0|2,0,0]=4 1383 B9R0.10 C[C@H](CC(=O)O)P(=O)(O)O Amb27645396 [0,1,0,0,1,0|1,0,0]=3 1384 B9R0.11 C=C(Br)CC(C)(C)C(=O)O Amb25887722 [0,1,0,0,1,0|2,0,0]=4 1385 B9R0.11 C=C(C)C(C)(C)CC(=O)O Amb25703730 [0,1,0,0,1,0|2,0,0]=4 1386 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb22641962 [0,1,0,0,1,0|2,0,0]=4 1387 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb31307620 [0,1,0,0,1,0|2,0,0]=4 1388 B9R0.11 C=C(C)CC(C)(C)C(=O)O Amb27619182 [0,1,0,0,1,0|2,0,0]=4 1389 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,1,0,0,1,0|2,0,0]=4 1390 B9R0.11 C=C(C)CC(C)(O)C(=O)O Amb24763776 [0,1,0,0,1,0|2,0,0]=4 1391 B9R0.11 C=C(C)C[C@](C)(O)C(=O)O Amb27618953 [0,1,0,0,1,0|2,0,0]=4 1392 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,1,0,0,1,0|2,0,0]=4 1393 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [0,1,0,0,1,0|1,0,0]=3 1394 B9R0.11 CC(=O)C(C)(C)CC(N)=O Amb26055921 [0,1,0,0,1,0|2,0,0]=4 1395 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,1,0,0,1,0|1,0,0]=3 1396 B9R0.11 CC(=O)CC(C)(C)C(=O)S Amb28201149 [0,1,0,0,1,0|1,1,0]=4 1397 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,1,0,0,1,0|1,0,0]=3 1398 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,1,0,0,1,0|1,0,0]=3 1399 B9R0.11 CC(=O)NC(C)(C)C(=O)O Amb13952726 [0,1,0,0,1,0|2,0,0]=4 1400 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,1,0,0,1,0|2,0,0]=4 1401 B9R0.11 CC(=O)OC(C)(C)C(=O)O Amb18644243 [0,1,0,0,1,0|2,0,0]=4 1402 B9R0.11 CC(=O)SC(C)(C)C(=O)O Amb17607677 [0,1,0,0,1,0|2,0,0]=4 1403 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [0,1,0,0,1,0|1,0,0]=3 1404 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,1,0,0,1,0|0,0,0]=2 1405 B9R0.11 CC(C)(CC(=O)O)C(N)=S Amb17466449 [0,1,0,0,1,0|1,1,0]=4 1406 B9R0.11 CC(C)(CC(N)=S)C(=O)O Amb27614963 [0,1,0,0,1,0|1,1,0]=4 1407 B9R0.11 CC(C)(NC(N)=O)C(=O)O Amb9825347 [0,1,0,0,1,0|2,0,0]=4 1408 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,1,0,0,1,0|0,0,0]=2 1409 B9R0.11 CC(Cl)(CS(=O)O)C(=O)O Amb27781534 [0,1,0,0,1,0|1,0,0]=3 1410 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,1,0,0,1,0|0,0,0]=2 1411 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,1,0,0,1,0|1,0,0]=3 1412 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,1,0,0,1,0|1,0,0]=3 1413 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,1,0,0,1,0|0,0,0]=2 1414 B9R0.11 CC(O)CC(C)(N)C(=O)O Amb28289237 [0,1,0,0,1,0|1,0,1]=4 1415 B9R0.11 CN(O)C(C)(C)CC(=O)O Amb30025601 [0,1,0,0,1,0|2,0,0]=4 1416 B9R0.11 CN(O)CC(C)(O)C(=O)O Amb28349124 [0,1,0,0,1,0|2,0,0]=4 1417 B9R0.11 CS(=O)C(C)(C)CC(=O)O Amb28128345 [0,1,0,0,1,0|2,0,0]=4 1418 B9R0.11 CS(=O)CC(C)(C)C(=O)O Amb28049647 [0,1,0,0,1,0|2,0,0]=4 1419 B9R0.11 CS(=O)CC(C)(O)C(=O)O Amb27984742 [0,1,0,0,1,0|2,0,0]=4 1420 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,1,0,0,1,0|1,0,0]=3 1421 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,1,0,0,1,0|0,0,0]=2 1422 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,1,0,0,1,0|1,0,0]=3 1423 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,1,0,0,1,0|0,0,0]=2 1424 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,1,0,0,1,0|2,0,0]=4 1425 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,1,0,0,1,0|2,0,0]=4 1426 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,1,0,0,1,0|1,0,0]=3 1427 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,1,0,0,1,0|1,0,0]=3 1428 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [0,1,0,0,1,0|2,0,0]=4 1429 B9R0.39 C=C(C)C(CN)CC(=O)O Amb33199956 [0,1,0,0,1,0|2,0,0]=4 1430 B9R0.39 C=C(C)CC(OC)C(=O)O Amb26386702 [0,1,0,0,1,0|2,0,0]=4 1431 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [0,1,0,0,1,0|2,0,0]=4 1432 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [0,1,0,0,1,0|1,0,1]=4 1433 B9R0.39 CC(=O)NC(CCl)C(=O)O Amb27494110 [0,1,0,0,1,0|2,0,0]=4 1434 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,1,0,0,1,0|2,0,0]=4 1435 B9R0.39 CC(=O)NC(CO)C(=O)O Amb1115493 [0,1,0,0,1,0|2,0,0]=4 1436 B9R0.39 CC(=O)NC(CS)C(=O)O Amb1112748 [0,1,0,0,1,0|2,0,0]=4 1437 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O Amb22746917 [0,1,0,0,1,0|2,0,0]=4 1438 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Amb2684240 [0,1,0,0,1,0|2,0,0]=4 1439 B9R0.39 CC(=O)N[C@H](CCl)C(=O)O Amb27171775 [0,1,0,0,1,0|2,0,0]=4 1440 B9R0.39 CC(=O)N[C@H](CS)C(=O)O Amb25887589 [0,1,0,0,1,0|2,0,0]=4 1441 B9R0.39 CC(=O)OC(CCl)C(=O)O Amb27796012 [0,1,0,0,1,0|2,0,0]=4 1442 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,1,0,0,1,0|2,0,0]=4 1443 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl Amb26921552 [0,1,0,0,1,0|2,0,0]=4 1444 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,1,0,0,1,0|0,0,0]=2 1445 B9R0.39 CCC(CC(=O)O)C(C)O Amb18831453 [0,1,0,0,1,0|1,0,1]=4 1446 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,1,0,0,1,0|1,0,0]=3 1447 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [0,1,0,0,1,0|2,0,0]=4 1448 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [0,1,0,0,1,0|1,0,1]=4 1449 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [0,1,0,0,1,0|2,0,0]=4 1450 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [0,1,0,0,1,0|2,0,0]=4 1451 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [0,1,0,0,1,0|2,0,0]=4 1452 B9R0.39 CCN(CC(=O)O)C(C)=O Amb17399887 [0,1,0,0,1,0|2,0,0]=4 1453 B9R0.39 CCN(CC(=O)O)C(N)=O Amb18999255 [0,1,0,0,1,0|2,0,0]=4 1454 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,1,0,0,1,0|0,0,0]=2 1455 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [0,1,0,0,1,0|2,0,0]=4 1456 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,1,0,0,1,0|0,0,0]=2 1457 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [0,1,0,0,1,0|2,0,0]=4 1458 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [0,1,0,0,1,0|2,0,0]=4 1459 B9R0.39 CC\C(=C/C(=O)O)C(=O)O Amb27421975 [0,1,0,0,1,0|0,0,2]=4 1460 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,1,0,0,1,0|0,0,0]=2 1461 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,1,0,0,1,0|0,0,0]=2 1462 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,1,0,0,1,0|1,0,0]=3 1463 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,1,0,0,1,0|1,0,0]=3 1464 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,1,0,0,1,0|0,0,0]=2 1465 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,1,0,0,1,0|0,0,0]=2 1466 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,1,0,0,1,0|1,0,0]=3 1467 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [0,1,0,0,1,0|1,0,0]=3 1468 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [0,1,0,0,1,0|1,0,0]=3 1469 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,1,0,0,1,0|0,0,0]=2 1470 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,1,0,0,1,0|0,0,0]=2 1471 B9R0.39 C[NH2+]C(CC(=O)[O-])C(=O)[O-] Amb33512929 [0,1,0,0,1,0|0,0,2]=4 1472 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [0,1,0,0,1,0|0,0,1]=3 1473 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [0,1,0,0,1,0|0,0,1]=3 1474 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,1,0,0,1,0|0,0,1]=3 1475 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [0,1,0,0,1,0|1,0,0]=3 1476 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [0,1,0,0,1,0|2,0,0]=4 1477 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [0,1,0,0,1,0|2,0,0]=4 1478 B9R0.39 NC(=O)NC(CF)C(=O)O Amb28187932 [0,1,0,0,1,0|2,0,0]=4 1479 B9R0.39 NC(=O)NC(CO)C(=O)O Amb1055147 [0,1,0,0,1,0|2,0,0]=4 1480 B9R0.39 NC(=O)NC(CS)C(=O)O Amb1119403 [0,1,0,0,1,0|2,0,0]=4 1481 B9R0.39 NC(=O)N[C@@H](CF)C(=O)O Amb26454171 [0,1,0,0,1,0|2,0,0]=4 1482 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O Amb17610484 [0,1,0,0,1,0|2,0,0]=4 1483 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,1,0,0,1,0|0,0,0]=2 1484 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,1,0,0,1,0|0,0,0]=2 1485 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,1,0,0,1,0|1,0,0]=3 1486 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,1,0,0,1,0|1,0,0]=3 1487 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [0,1,0,0,1,0|0,0,2]=4 1488 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,1,0,0,1,0|0,0,0]=2 1489 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,1,0,0,1,0|0,0,0]=2 1490 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,1,0,0,1,0|1,0,0]=3 1491 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,1,0,0,1,0|1,0,0]=3 1492 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,1,0,0,1,0|1,0,0]=3 1493 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,1,0,0,1,0|1,0,0]=3 1494 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,1,0,0,1,0|1,0,0]=3 1495 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,1,0,0,1,0|1,0,0]=3 1496 B9R0.39 O=C(O)C\C(=N/O)C(=O)O Amb24117074 [0,1,0,0,1,0|1,0,1]=4 1497 B9R0.39 O=C(O)C\C(=N\O)C(=O)O Amb27828721 [0,1,0,0,1,0|1,0,1]=4 1498 B9R0.42 C#CC(=O)N[C@@H](C)C(=O)O Amb28060769 [0,1,0,0,1,0|2,0,0]=4 1499 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [0,1,0,0,1,0|0,0,2]=4 1500 B9R0.42 C=CC(=O)OC(C)C(=O)O Amb27592472 [0,1,0,0,1,0|2,0,0]=4 1501 B9R0.42 CC(=O)N(C)CC(=O)NO Amb28291755 [0,1,0,0,1,0|2,0,0]=4 1502 B9R0.42 CC(CC(=O)CCl)C(=O)O Amb24585160 [0,1,0,0,1,0|1,0,0]=3 1503 B9R0.42 CC(CO)CC(C)C(=O)O Amb27838009 [0,1,0,0,1,0|1,0,1]=4 1504 B9R0.42 CC(NC(=O)C=O)C(=O)O Amb27830810 [0,1,0,0,1,0|1,0,1]=4 1505 B9R0.42 CC(NC(=O)CCl)C(=O)O Amb3940604 [0,1,0,0,1,0|2,0,0]=4 1506 B9R0.42 CC(NC(=O)CN)C(=O)O Amb533807 [0,1,0,0,1,0|2,0,0]=4 1507 B9R0.42 CC(OC(=O)CCl)C(=O)O Amb28042677 [0,1,0,0,1,0|2,0,0]=4 1508 B9R0.42 CC(OC(=O)CO)C(N)=O Amb28126899 [0,1,0,0,1,0|2,0,0]=4 1509 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [0,1,0,0,1,0|2,0,0]=4 1510 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [0,1,0,0,1,0|2,0,0]=4 1511 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [0,1,0,0,1,0|2,0,0]=4 1512 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [0,1,0,0,1,0|2,0,0]=4 1513 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [0,1,0,0,1,0|2,0,0]=4 1514 B9R0.42 CCC(=O)NC(C)C(=O)O Amb1116933 [0,1,0,0,1,0|2,0,0]=4 1515 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O Amb22901053 [0,1,0,0,1,0|2,0,0]=4 1516 B9R0.42 CCC(O)CC(C)C(=O)O Amb28348984 [0,1,0,0,1,0|1,0,1]=4 1517 B9R0.42 CCS(=O)CC(C)C(=O)O Amb19012076 [0,1,0,0,1,0|2,0,0]=4 1518 B9R0.42 CNC(=O)CC(C)C(N)=O Amb17334219 [0,1,0,0,1,0|2,0,0]=4 1519 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [0,1,0,0,1,0|2,0,0]=4 1520 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [0,1,0,0,1,0|2,0,0]=4 1521 B9R0.42 CNC(=O)NC(C)C(=O)O Amb1130316 [0,1,0,0,1,0|2,0,0]=4 1522 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O Amb24478025 [0,1,0,0,1,0|2,0,0]=4 1523 B9R0.42 CNC(=O)N[C@H](C)C(=O)O Amb24558529 [0,1,0,0,1,0|2,0,0]=4 1524 B9R0.42 CNC(=O)OC(C)C(=O)O Amb35655772 [0,1,0,0,1,0|2,0,0]=4 1525 B9R0.42 CNC(=O)O[C@@H](C)C(=O)O Amb35647450 [0,1,0,0,1,0|2,0,0]=4 1526 B9R0.42 CNC(=O)O[C@H](C)C(=O)O Amb29866286 [0,1,0,0,1,0|2,0,0]=4 1527 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [0,1,0,0,1,0|1,0,1]=4 1528 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [0,1,0,0,1,0|1,0,0]=3 1529 B9R0.42 COC(=O)CC(Br)C(C)=O Amb17403794 [0,1,0,0,1,0|2,0,0]=4 1530 B9R0.42 COC(=O)CC(Br)C(N)=O Amb27969234 [0,1,0,0,1,0|2,0,0]=4 1531 B9R0.42 COC(=O)CC(C)C(=N)N Amb27971074 [0,1,0,0,1,0|2,0,0]=4 1532 B9R0.42 COC(=O)CC(C)C(=O)Cl Amb27972299 [0,1,0,0,1,0|1,0,0]=3 1533 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [0,1,0,0,1,0|0,0,0]=2 1534 B9R0.42 COC(=O)CC(C)C(=O)[O-] Amb34915052 [0,1,0,0,1,0|0,0,1]=3 1535 B9R0.42 COC(=O)CC(C)[N+](=O)[O-] Amb27444812 [0,1,0,0,1,0|1,0,1]=4 1536 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [0,1,0,0,1,0|1,0,0]=3 1537 B9R0.42 COC(=O)CC(Cl)C(C)=O Amb25061154 [0,1,0,0,1,0|2,0,0]=4 1538 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [0,1,0,0,1,0|1,0,0]=3 1539 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [0,1,0,0,1,0|1,0,0]=3 1540 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [0,1,0,0,1,0|1,0,0]=3 1541 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [0,1,0,0,1,0|1,0,0]=3 1542 B9R0.42 COC(=O)CC(O)C(N)=O Amb27830345 [0,1,0,0,1,0|2,0,0]=4 1543 B9R0.42 COC(=O)CN(C)C(=O)Cl Amb35749071 [0,1,0,0,1,0|2,0,0]=4 1544 B9R0.42 COC(=O)CN(C)C(C)=O Amb9263349 [0,1,0,0,1,0|2,0,0]=4 1545 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [0,1,0,0,1,0|0,0,0]=2 1546 B9R0.42 COC(=O)C[C@@H](C)C(C)=O Amb26846867 [0,1,0,0,1,0|1,0,0]=3 1547 B9R0.42 COC(=O)C[C@@H](C)C(N)=O Amb27169355 [0,1,0,0,1,0|1,0,0]=3 1548 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [0,1,0,0,1,0|1,0,0]=3 1549 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [0,1,0,0,1,0|1,0,0]=3 1550 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [0,1,0,0,1,0|1,0,0]=3 1551 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [0,1,0,0,1,0|1,0,0]=3 1552 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [0,1,0,0,1,0|0,0,0]=2 1553 B9R0.42 COC(=O)C[C@H](C)C(C)=O Amb26873807 [0,1,0,0,1,0|1,0,0]=3 1554 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [0,1,0,0,1,0|1,0,0]=3 1555 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [0,1,0,0,1,0|1,0,0]=3 1556 B9R0.42 COC(=O)C[C@H](O)C(N)=O Amb28120921 [0,1,0,0,1,0|2,0,0]=4 1557 B9R0.42 COC(=O)NC(C)C(=O)O Amb6668789 [0,1,0,0,1,0|1,0,0]=3 1558 B9R0.42 COC(=O)N[C@@H](C)C(=O)O Amb24477985 [0,1,0,0,1,0|1,0,0]=3 1559 B9R0.42 COC(=O)N[C@H](C)C(=O)O Amb24381066 [0,1,0,0,1,0|1,0,0]=3 1560 B9R0.42 COC(=O)N[C@H](C)C(N)=O Amb27428453 [0,1,0,0,1,0|2,0,0]=4 1561 B9R0.42 COC(=O)SC(C)C(C)=O Amb27243977 [0,1,0,0,1,0|2,0,0]=4 1562 B9R0.42 COC(=O)\C=C(/C)C(=O)O Amb18644070 [0,1,0,0,1,0|0,0,2]=4 1563 B9R0.42 COC(=S)SC(C)C(=O)O Amb28458571 [0,1,0,0,1,0|1,1,0]=4 1564 B9R0.42 C[C@@H](C[C@@H](O)CN)C(=O)O Amb27768864 [0,1,0,0,1,0|1,0,1]=4 1565 B9R0.42 C[C@@H](NC(=O)CCl)C(=O)O Amb10842258 [0,1,0,0,1,0|2,0,0]=4 1566 B9R0.42 C[C@H](C[C@@H](O)CN)C(=O)O Amb27169198 [0,1,0,0,1,0|1,0,1]=4 1567 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O Amb2781694 [0,1,0,0,1,0|2,0,0]=4 1568 B9R0.42 C[C@H](NC(=O)CN)C(=O)O Amb537542 [0,1,0,0,1,0|2,0,0]=4 1569 B9R0.42 C[C@H](NC(=O)CS)C(=O)O Amb27780474 [0,1,0,0,1,0|1,1,0]=4 1570 B9R0.42 C\C(=N/C(=O)CO)C(=O)O Amb27426561 [0,1,0,0,1,0|1,0,1]=4 1571 B9R0.42 NC(CC(=O)CI)C(=O)O Amb27803464 [0,1,0,0,1,0|2,0,0]=4 1572 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [0,1,0,0,1,0|1,0,0]=3 1573 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [0,1,0,0,1,0|1,0,0]=3 1574 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [0,1,0,0,1,0|1,0,1]=4 1575 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [0,1,0,0,1,0|2,0,0]=4 1576 B9R0.42 N[C@@H](CC(=O)CCl)C(=O)O Amb27168692 [0,1,0,0,1,0|2,0,0]=4 1577 B9R0.42 N[C@@H](CC(=O)CI)C(=O)O Amb27248631 [0,1,0,0,1,0|2,0,0]=4 1578 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [0,1,0,0,1,0|1,0,0]=3 1579 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [0,1,0,0,1,0|1,0,0]=3 1580 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [0,1,0,0,1,0|2,0,0]=4 1581 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [0,1,0,0,1,0|2,0,0]=4 1582 B9R0.42 O=C(CBr)C[C@H](O)C(=O)O Amb27876238 [0,1,0,0,1,0|2,0,0]=4 1583 B9R0.57 CC(CP(=O)(O)O)C(=O)O Amb27878703 [0,1,0,0,1,0|1,0,0]=3 1584 B9R0.57 CC(CP(C)(C)=O)C(=O)O Amb28050894 [0,1,0,0,1,0|2,0,0]=4 1585 B9R0.57 CC(CS(C)(=O)=O)C(=O)O Amb18971622 [0,1,0,0,1,0|1,0,1]=4 1586 B9R0.57 CC(CS(N)(=O)=O)C(=O)O Amb18563379 [0,1,0,0,1,0|1,0,1]=4 1587 B9R0.57 CC(OP(=O)(O)O)C(=O)O Amb28458452 [0,1,0,0,1,0|2,0,0]=4 1588 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [0,1,0,0,1,0|2,0,0]=4 1589 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [0,1,0,0,1,0|2,0,0]=4 1590 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [0,1,0,0,1,0|2,0,0]=4 1591 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [0,1,0,0,1,0|2,0,0]=4 1592 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [0,1,0,0,1,0|2,0,0]=4 1593 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [0,1,0,0,1,0|2,0,0]=4 1594 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [0,1,0,0,1,0|2,0,0]=4 1595 B9R0.57 O=C(O)C(O)CP(=O)(O)O Amb27166079 [0,1,0,0,1,0|2,0,0]=4 1596 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Amb20247567 [0,1,0,0,1,0|2,0,0]=4 1597 B9R0.79 C=C(C)C(C)C(C)C(=O)O Amb28042819 [0,1,0,0,1,0|2,0,0]=4 1598 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,1,0,0,1,0|2,0,0]=4 1599 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [0,1,0,0,1,0|2,0,0]=4 1600 B9R0.79 C=C(C)[C@@H](C)[C@@H](C)C(=O)O Amb28050111 [0,1,0,0,1,0|2,0,0]=4 1601 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [0,1,0,0,1,0|2,0,0]=4 1602 B9R0.79 CC(=O)C(C)C(C)C(C)=O Amb4016940 [0,1,0,0,1,0|2,0,0]=4 1603 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,1,0,0,1,0|1,0,0]=3 1604 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,1,0,0,1,0|2,0,0]=4 1605 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,1,0,0,1,0|2,0,0]=4 1606 B9R0.79 CC(=O)N(Cl)[C@@H](C)C(=O)O Amb28458454 [0,1,0,0,1,0|2,0,0]=4 1607 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,1,0,0,1,0|1,0,0]=3 1608 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,1,0,0,1,0|1,0,0]=3 1609 B9R0.79 CC(=O)[C@H](C)[C@@H](C)C(C)=O Amb28202186 [0,1,0,0,1,0|2,0,0]=4 1610 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,1,0,0,1,0|1,0,0]=3 1611 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,1,0,0,1,0|1,1,0]=4 1612 B9R0.79 CC(C(=O)Cl)C(C)C(=O)Cl Amb22347385 [0,1,0,0,1,0|2,0,0]=4 1613 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,1,0,0,1,0|0,0,0]=2 1614 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,1,0,0,1,0|0,0,0]=2 1615 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,1,0,0,1,0|0,0,0]=2 1616 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,1,0,0,1,0|0,0,0]=2 1617 B9R0.79 CC(C(N)=O)C(C)C(N)=O Amb28248514 [0,1,0,0,1,0|2,0,0]=4 1618 B9R0.79 CC(O)C(C)C(C)C(=O)O Amb28059349 [0,1,0,0,1,0|1,0,1]=4 1619 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,1,0,0,1,0|1,0,1]=4 1620 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,1,0,0,1,0|1,0,1]=4 1621 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,1,0,0,1,0|1,0,1]=4 1622 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,1,0,0,1,0|1,0,1]=4 1623 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,1,0,0,1,0|0,0,0]=2 1624 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,1,0,0,1,0|0,0,0]=2 1625 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,1,0,0,1,0|0,0,0]=2 1626 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,1,0,0,1,0|0,0,0]=2 1627 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,1,0,0,1,0|1,0,1]=4 1628 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,1,0,0,1,0|1,0,1]=4 1629 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,1,0,0,1,0|0,0,0]=2 1630 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(N)=O Amb27771245 [0,1,0,0,1,0|1,0,0]=3 1631 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,1,0,0,1,0|0,0,0]=2 1632 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,1,0,0,1,0|0,0,0]=2 1633 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,1,0,0,1,0|0,0,0]=2 1634 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,1,0,0,1,0|0,0,0]=2 1635 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,1,0,0,1,0|0,0,0]=2 1636 B9R0.79 C[C@H](C(N)=O)[C@H](C)C(N)=O Amb27220901 [0,1,0,0,1,0|2,0,0]=4 1637 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,1,0,0,1,0|1,0,1]=4 1638 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,1,0,0,1,0|1,0,1]=4 1639 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,1,0,0,1,0|1,0,1]=4 1640 B9R0.79 C\C(C(=O)O)=C(/Cl)C(=O)O Amb27858839 [0,1,0,0,1,0|0,0,2]=4 1641 B9R0.79 C\C(C(=O)O)=C(\C)C(=O)O Amb24712245 [0,1,0,0,1,0|0,0,2]=4 1642 B9R0.79 C\C(C(=O)O)=C(\O)C(=O)O Amb27867258 [0,1,0,0,1,0|0,0,2]=4 1643 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,1,0,0,1,0|2,0,0]=4 1644 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,1,0,0,1,0|2,0,0]=4 1645 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,1,0,0,1,0|2,0,0]=4 1646 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,1,0,0,1,0|2,0,0]=4 1647 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,1,0,0,1,0|1,0,0]=3 1648 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,1,0,0,1,0|1,0,0]=3 1649 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,1,0,0,1,0|1,0,0]=3 1650 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,1,0,0,1,0|1,0,0]=3 1651 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,1,0,0,1,0|1,0,0]=3 1652 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,1,0,0,1,0|1,0,0]=3 1653 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,1,0,0,1,0|1,0,0]=3 1654 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,1,0,0,1,0|1,0,0]=3 1655 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,1,0,0,1,0|1,0,0]=3 1656 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,1,0,0,1,0|1,0,0]=3 1657 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,1,0,0,1,0|1,0,0]=3 1658 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,1,0,0,1,0|1,0,0]=3 1659 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,1,0,0,1,0|1,0,0]=3 1660 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,1,0,0,1,0|1,0,0]=3 1661 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,1,0,0,1,0|1,0,0]=3 1662 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,1,0,0,1,0|1,0,0]=3 1663 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,1,0,0,1,0|1,0,0]=3 1664 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,1,0,0,1,0|1,0,0]=3 1665 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,1,0,0,1,0|1,0,0]=3 1666 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,1,0,0,1,0|1,0,0]=3 1667 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,1,0,0,1,0|1,0,0]=3 1668 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,1,0,0,1,0|1,0,0]=3 1669 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,1,0,0,1,0|1,0,0]=3 1670 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,1,0,0,1,0|1,1,0]=4 1671 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,1,0,0,1,0|1,0,0]=3 1672 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,1,0,0,1,0|1,0,0]=3 1673 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,1,0,0,1,0|1,0,0]=3 1674 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,1,0,0,1,0|1,0,0]=3 1675 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,1,0,0,1,0|1,0,0]=3 1676 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,1,0,0,1,0|1,0,0]=3 1677 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,1,0,0,1,0|1,0,0]=3 1678 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,1,0,0,1,0|1,0,0]=3 1679 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,1,0,0,1,0|1,0,0]=3 1680 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,1,0,0,1,0|1,0,0]=3 1681 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,1,0,0,1,0|1,0,0]=3 1682 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,1,0,0,1,0|1,0,0]=3 1683 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,1,0,0,1,0|1,0,0]=3 1684 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,1,0,0,1,0|1,0,0]=3 1685 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,1,0,0,1,0|1,0,0]=3 1686 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,1,0,0,1,0|1,0,0]=3 1687 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,1,0,0,1,0|1,0,0]=3 1688 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,1,0,0,1,0|1,0,0]=3 1689 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,1,0,0,1,0|1,0,0]=3 1690 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,1,0,0,1,0|1,0,0]=3 1691 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,1,0,0,1,0|1,0,1]=4 1692 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,1,0,0,1,0|1,0,1]=4 1693 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,1,0,0,1,0|1,0,1]=4 1694 B11R0.33 O=C(O)CS(=O)CC(=O)C(=O)O Amb33069706 [0,1,0,0,0,1|2,0,0]=4 1695 B11R0.93 COC(=O)CC(O)COC(C)=O Amb17778578 [0,1,0,0,0,1|2,0,0]=4 1696 B11R0.107 COC(=O)CCC(C)CC(C)=O Amb32667486 [0,1,0,0,0,1|1,0,0]=3 1697 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33621268 [0,1,0,0,0,1|1,0,0]=3 1698 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33744519 [0,1,0,0,0,1|1,0,0]=3 1699 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O Amb24114097 [0,1,0,0,0,1|1,0,0]=3 1700 B11R0.173 CC(C(=O)O)N(C)CCC(=O)O Amb17561090 [0,1,0,0,0,1|1,0,0]=3 1701 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O Amb28653070 [0,1,0,0,0,1|1,0,0]=3 1702 B11R0.232 O=C(O)CCS(=O)(=O)CC(=O)O Amb17501260 [0,1,0,0,0,1|2,0,0]=4 1703 B11R0.52 CC(C)(C(=O)O)C(O)CC(=O)O Amb33548094 [0,2,0,0,0,0|1,0,0]=3 1704 B11R0.63 CCC(=O)N(C)C(C)CC(=O)O Amb18862886 [0,2,0,0,0,0|2,0,0]=4 1705 B11R0.63 COC(=O)C(C)C(C)SC(C)=O Amb33307178 [0,2,0,0,0,0|2,0,0]=4 1706 B11R0.63 COC(=O)[C@@H](N)[C@@H](C)SC(C)=O Amb24117265 [0,2,0,0,0,0|2,0,0]=4 1707 B11R0.206 C\C(C(=O)O)=C(\C)[C@H](C)C(=O)O Amb28076753 [0,2,0,0,0,0|0,0,2]=4 1708 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O Amb533010 [0,2,0,0,0,0|1,0,0]=3 1709 B11R0.308 CC(OP(=O)(O)O)C(N)C(=O)O Amb9825506 [0,2,0,0,0,0|2,0,0]=4 1710 B11R0.335 CC(C(=O)O)S(=O)(=O)CC(=O)O Amb17501652 [0,2,0,0,0,0|2,0,0]=4 1711 B11R0.335 CN(C(N)=O)C(C)(C)CC(=O)O Amb18197602 [0,2,0,0,0,0|2,0,0]=4 1712 B11R0.208 CC(C)(CC(=O)O)CS(C)(=O)=O Amb32675316 [0,2,0,0,0,0|1,0,1]=4 1713 B11R0.300 COC(C)(C)CC(C)CC(=O)O Amb7797849 [0,2,0,0,0,0|1,0,1]=4 1714 B11R0.1 CCOC(=O)CC(C)CN(=O)=O Amb8391643 [0,2,0,0,0,0|1,0,1]=4 1715 B11R0.91 CCC(CC(=O)O)CC(=O)OC Amb33474984 [0,2,0,0,0,0|0,0,0]=2 1716 B11R0.91 COC(=O)CC(CF)CC(=O)O Amb33474631 [0,2,0,0,0,0|0,0,0]=2 1717 B11R0.110 COC(=O)CC(=O)CC(=O)OC Amb2725477 [0,2,0,0,0,0|1,0,1]=4 1718 B11R0.110 COC(=O)CC(C)CC(=O)OC Amb8629083 [0,2,0,0,0,0|0,0,0]=2 1719 B11R0.110 COC(=O)CC(C)CC(O)OC Amb31307770 [0,2,0,0,0,0|0,0,2]=4 1720 B11R0.110 COC(=O)CC(N)CC(=O)OC Amb22001699 [0,2,0,0,0,0|1,0,0]=3 1721 B11R0.110 COC(=O)CC(N)CC(=O)OC Amb22436847 [0,2,0,0,0,0|1,0,0]=3 1722 B11R0.110 COC(=O)CC(N)CC(=O)OC Amb22749880 [0,2,0,0,0,0|1,0,0]=3 1723 B11R0.110 COC(=O)CC(O)CC(=O)OC Amb10604229 [0,2,0,0,0,0|1,0,0]=3 1724 B11R0.110 COC(=O)CN(C)CC(=O)OC Amb18808625 [0,2,0,0,0,0|1,0,0]=3 1725 B11R0.255 C=CC(=O)NC(C)(C)CC(=O)O Amb10068283 [0,2,0,0,0,0|2,0,0]=4 1726 B11R0.255 CNC(=O)NC(C)(C)CC(=O)O Amb27171789 [0,2,0,0,0,0|2,0,0]=4 1727 B11R0.255 COC(=O)CC(C)(C)CC(=O)O Amb18647813 [0,2,0,0,0,0|0,0,0]=2 1728 B11R0.255 COC(=O)CC(C)(C)CC(C)=O Amb18198272 [0,2,0,0,0,0|1,0,0]=3 1729 B11R0.255 COC(=O)CS(=O)(=O)CC(=O)O Amb9482256 [0,2,0,0,0,0|2,0,0]=4 1730 B11R0.32 C=C(C)C(CC(=O)O)CC(=O)O Amb32953577 [0,2,0,0,0,0|0,0,0]=2 1731 B11R0.32 CC(=O)NC(CC(=O)O)C(C)C Amb33042693 [0,2,0,0,0,0|2,0,0]=4 1732 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(C)C Amb33253810 [0,2,0,0,0,0|2,0,0]=4 1733 B11R0.32 CC(=O)N[C@H](CC(=O)O)C(C)C Amb33308358 [0,2,0,0,0,0|2,0,0]=4 1734 B11R0.32 CC(C)C(CC(=O)O)CC(=O)O Amb18647811 [0,2,0,0,0,0|0,0,0]=2 1735 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O Amb2611740 [0,2,0,0,0,0|0,0,1]=3 1736 B11R0.35 C#CCN(CC(=O)O)CC(=O)O Amb30584892 [0,2,0,0,0,0|1,0,0]=3 1737 B11R0.35 C#CCN(CC(=O)O)CC(=O)O Amb32675504 [0,2,0,0,0,0|1,0,0]=3 1738 B11R0.35 CCCC(CC(=O)O)CC(=O)O Amb2720782 [0,2,0,0,0,0|0,0,0]=2 1739 B11R0.35 CCCC(CC(=O)O)NC(C)=O Amb33042695 [0,2,0,0,0,0|2,0,0]=4 1740 B11R0.35 COCC(CC(=O)O)CC(=O)O Amb33079739 [0,2,0,0,0,0|0,0,0]=2 1741 B11R0.35 COCC(CC(=O)O)NC(C)=O Amb33253848 [0,2,0,0,0,0|2,0,0]=4 1742 B11R0.35 CSCC(CC(=O)O)CC(=O)O Amb33269665 [0,2,0,0,0,0|0,0,0]=2 1743 B11R0.35 O=C(O)CC(CCF)CC(=O)O Amb33196069 [0,2,0,0,0,0|0,0,0]=2 1744 B11R0.35 O=C(O)CN(CCO)CC(=O)O Amb6365040 [0,2,0,0,0,0|1,0,0]=3 1745 B11R0.210 CC(=O)NC(C)(CN)CC(=O)O Amb33255160 [0,2,0,0,0,0|2,0,0]=4 1746 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O Amb445619 [0,2,0,0,0,0|0,0,0]=2 1747 B11R0.210 CCC(C)(CC(=O)O)NC(C)=O Amb33255323 [0,2,0,0,0,0|2,0,0]=4 1748 B9R1.7 C=CCC1CCC(=O)C1 Amb26610303 [1,0,0,1,0,0|2,0,0]=4 1749 B9R1.7 C=CC[C@H]1COC(=O)N1 Amb28423413 [1,0,0,1,0,0|2,0,0]=4 1750 B9R1.7 CCCC1COC(=O)C1 Amb26560581 [1,0,0,1,0,0|1,0,1]=4 1751 B9R1.7 CCC[C@H]1COC(=O)C1 Amb33725639 [1,0,0,1,0,0|1,0,1]=4 1752 B9R1.7 O=C1CC(CCO)CN1 Amb23598230 [1,0,0,1,0,0|1,0,1]=4 1753 B9R1.7 O=CCC1CCC(=O)C1 Amb18642410 [1,0,0,1,0,0|1,0,0]=3 1754 B9R1.7 O=CCC1CCC(=O)O1 Amb27873383 [1,0,0,1,0,0|2,0,0]=4 1755 B9R1.7 O=CC[C@H]1CCC(=O)C1 Amb27961372 [1,0,0,1,0,0|1,0,0]=3 1756 B9R1.13 CC(=O)CC1CCOC1 Amb20622791 [1,0,0,1,0,0|1,0,1]=4 1757 B9R1.13 NC(=O)CC1CC=CC1 Amb27837715 [1,0,0,1,0,0|2,0,0]=4 1758 B9R1.13 NC(=O)C[C@H]1CCOC1 Amb27837647 [1,0,0,1,0,0|1,0,1]=4 1759 B9R1.13 O=C(Cl)CC1CCOC1 Amb22642272 [1,0,0,1,0,0|1,0,1]=4 1760 B9R1.13 O=C(O)CC1C=CCC1 Amb9703199 [1,0,0,1,0,0|1,0,1]=4 1761 B9R1.13 O=C(O)CC1CC=CC1 Amb25673915 [1,0,0,1,0,0|1,0,0]=3 1762 B9R1.13 O=C(O)CC1CCCC1 Amb16192937 [1,0,0,1,0,0|1,0,1]=4 1763 B9R1.13 O=C(O)CC1CCCC1 Amb3939847 [1,0,0,1,0,0|1,0,1]=4 1764 B9R1.13 O=C(O)CC1CCNC1 Amb2695002 [1,0,0,1,0,0|1,0,1]=4 1765 B9R1.13 O=C(O)CC1CCNC1 Amb33549788 [1,0,0,1,0,0|1,0,1]=4 1766 B9R1.13 O=C(O)CC1CCOC1 Amb2696440 [1,0,0,1,0,0|0,0,1]=3 1767 B9R1.13 O=C(O)CC1CCSC1 Amb18202318 [1,0,0,1,0,0|0,1,1]=4 1768 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb10067024 [1,0,0,1,0,0|1,0,1]=4 1769 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb26948232 [1,0,0,1,0,0|1,0,1]=4 1770 B9R1.13 O=C(O)C[C@@H]1CCOC1 Amb25887272 [1,0,0,1,0,0|0,0,1]=3 1771 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb2696648 [1,0,0,1,0,0|1,0,1]=4 1772 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb8384306 [1,0,0,1,0,0|1,0,1]=4 1773 B9R1.13 O=C(O)C[C@H]1CCOC1 Amb23401495 [1,0,0,1,0,0|0,0,1]=3 1774 B9R1.22 C=CC1OC(=O)NC1C Amb27481791 [1,0,0,1,0,0|2,0,0]=4 1775 B9R1.22 C=CC1OC(=O)N[C@H]1C Amb27200232 [1,0,0,1,0,0|2,0,0]=4 1776 B9R1.22 CC1CC(=O)OC1CO Amb28049216 [1,0,0,1,0,0|0,0,1]=3 1777 B9R1.22 CC1CC(=O)O[C@@H]1CO Amb27956619 [1,0,0,1,0,0|0,0,1]=3 1778 B9R1.22 CC1NC(=O)OC1CO Amb27438567 [1,0,0,1,0,0|1,0,1]=4 1779 B9R1.22 CC1OC(=O)OC1CO Amb28315510 [1,0,0,1,0,0|1,0,1]=4 1780 B9R1.22 C[C@@H]1CC(=O)C[C@@H]1CO Amb27260485 [1,0,0,1,0,0|1,0,1]=4 1781 B9R1.22 C[C@@H]1CC(=O)O[C@H]1CCl Amb27976633 [1,0,0,1,0,0|1,0,1]=4 1782 B9R1.22 C[C@@H]1CC(=O)O[C@H]1CO Amb28053667 [1,0,0,1,0,0|0,0,1]=3 1783 B9R1.22 C[C@@H]1OC(=O)O[C@H]1CO Amb27204022 [1,0,0,1,0,0|1,0,1]=4 1784 B9R1.22 C[C@H]1CC(=O)O[C@@H]1CO Amb27450606 [1,0,0,1,0,0|0,0,1]=3 1785 B9R1.22 O=C1C[C@@H](O)[C@@H](CO)O1 Amb24515317 [1,0,0,1,0,0|1,0,1]=4 1786 B9R1.22 O=C1C[C@@H](O)[C@H](CO)O1 Amb22748461 [1,0,0,1,0,0|1,0,1]=4 1787 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 Amb20242107 [1,0,0,1,0,0|1,0,1]=4 1788 B9R1.22 O=C1C[C@H](O)[C@H](CO)O1 Amb26419790 [1,0,0,1,0,0|1,0,1]=4 1789 B9R1.25 C[C@H]1[C@H](CO)[C@@H]1C(=O)O Amb28428452 [1,0,0,1,0,0|0,0,1]=3 1790 B9R1.25 C\C=C1/[C@@H](C)[C@H]1C(=O)O Amb27614281 [1,0,0,1,0,0|1,0,1]=4 1791 B9R1.34 CC1=CC(=O)CC(C)C1 Amb4605909 [1,0,0,1,0,0|2,0,0]=4 1792 B9R1.34 CC1=CC(=O)OC(=O)C1 Amb17673901 [1,0,0,1,0,0|0,0,2]=4 1793 B9R1.34 CC1=CC(C)CC(=O)O1 Amb27812237 [1,0,0,1,0,0|1,0,1]=4 1794 B9R1.34 CC1CC(=O)C=C(Cl)C1 Amb7094066 [1,0,0,1,0,0|2,0,0]=4 1795 B9R1.34 CC1CC(=O)C=C(N)C1 Amb7094072 [1,0,0,1,0,0|2,0,0]=4 1796 B9R1.34 CC1CC(=O)CC(=O)C1 Amb772649 [1,0,0,1,0,0|1,0,0]=3 1797 B9R1.34 CC1CC(=O)CC(=O)N1 Amb22750293 [1,0,0,1,0,0|2,0,0]=4 1798 B9R1.34 CC1CC(=O)CC(=O)O1 Amb24422515 [1,0,0,1,0,0|2,0,0]=4 1799 B9R1.34 CC1CC(=O)NC(=O)C1 Amb17940391 [1,0,0,1,0,0|1,0,0]=3 1800 B9R1.34 CC1CC(=O)NC(=O)N1 Amb2196506 [1,0,0,1,0,0|2,0,0]=4 1801 B9R1.34 CC1CC(=O)NC(=O)S1 Amb27636402 [1,0,0,1,0,0|2,0,0]=4 1802 B9R1.34 CC1CC(=O)OC(=O)C1 Amb534202 [1,0,0,1,0,0|0,0,0]=2 1803 B9R1.34 CC1CC(=O)OC(=O)N1 Amb28285254 [1,0,0,1,0,0|1,0,0]=3 1804 B9R1.34 CC1CC(O)=CC(=O)O1 Amb22347797 [1,0,0,1,0,0|2,0,0]=4 1805 B9R1.34 CN1CC(=O)C=C(O)C1 Amb27604418 [1,0,0,1,0,0|2,0,0]=4 1806 B9R1.34 CN1CC(=O)CC(=O)C1 Amb22802168 [1,0,0,1,0,0|2,0,0]=4 1807 B9R1.34 CN1CC(=O)NC(=O)C1 Amb449715 [1,0,0,1,0,0|2,0,0]=4 1808 B9R1.34 CN1CC(=O)OC(=O)C1 Amb24673917 [1,0,0,1,0,0|1,0,0]=3 1809 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 Amb27168280 [1,0,0,1,0,0|2,0,0]=4 1810 B9R1.34 NC1CC(=O)NC(=O)C1 Amb30869723 [1,0,0,1,0,0|2,0,0]=4 1811 B9R1.34 NC1CC(=O)NC(=O)C1 Amb6261880 [1,0,0,1,0,0|2,0,0]=4 1812 B9R1.34 O=C1CC(=O)CC(O)C1 Amb27838801 [1,0,0,1,0,0|2,0,0]=4 1813 B9R1.41 CC1CCCC1C(=O)O Amb8496598 [1,0,0,1,0,0|1,0,1]=4 1814 B9R1.41 CC1CCNC1C(=O)O Amb22496299 [1,0,0,1,0,0|1,0,1]=4 1815 B9R1.41 CC1CCNC1C(=O)O Amb28895929 [1,0,0,1,0,0|1,0,1]=4 1816 B9R1.41 CC1CCN[C@@H]1C(=O)O Amb25786199 [1,0,0,1,0,0|1,0,1]=4 1817 B9R1.41 CC1CCOC1C(=O)O Amb20668280 [1,0,0,1,0,0|0,0,1]=3 1818 B9R1.41 CC1CCSC1C(=O)O Amb33038449 [1,0,0,1,0,0|0,1,1]=4 1819 B9R1.41 CC1CNCC1C(=O)O Amb2695368 [1,0,0,1,0,0|2,0,0]=4 1820 B9R1.41 CC1CNCC1C(=O)O Amb32665482 [1,0,0,1,0,0|2,0,0]=4 1821 B9R1.41 CC1OCOC1C(=O)O Amb27828880 [1,0,0,1,0,0|1,0,1]=4 1822 B9R1.41 CN1CC=CC1C(=O)O Amb15701264 [1,0,0,1,0,0|2,0,0]=4 1823 B9R1.41 CN1CC=CC1C(=O)O Amb22587153 [1,0,0,1,0,0|2,0,0]=4 1824 B9R1.41 C[C@@H]1CCCC1C(=O)O Amb27167847 [1,0,0,1,0,0|1,0,1]=4 1825 B9R1.41 C[C@@H]1CCC[C@@H]1C(=O)O Amb10843957 [1,0,0,1,0,0|1,0,1]=4 1826 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O Amb10843949 [1,0,0,1,0,0|1,0,1]=4 1827 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O Amb22747259 [1,0,0,1,0,0|1,0,1]=4 1828 B9R1.41 C[C@@H]1CCO[C@@H]1C(=O)O Amb25251332 [1,0,0,1,0,0|0,0,1]=3 1829 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O Amb34916171 [1,0,0,1,0,0|0,0,1]=3 1830 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O Amb27440055 [1,0,0,1,0,0|2,0,0]=4 1831 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O Amb26442159 [1,0,0,1,0,0|2,0,0]=4 1832 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O Amb32664837 [1,0,0,1,0,0|2,0,0]=4 1833 B9R1.41 C[C@@H]1COC[C@H]1C(=O)O Amb28286229 [1,0,0,1,0,0|2,0,0]=4 1834 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O Amb10843959 [1,0,0,1,0,0|1,0,1]=4 1835 B9R1.41 C[C@H]1CCC[C@H]1C(=O)O Amb10843950 [1,0,0,1,0,0|1,0,1]=4 1836 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O Amb8387164 [1,0,0,1,0,0|1,0,1]=4 1837 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Amb27217270 [1,0,0,1,0,0|2,0,0]=4 1838 B9R1.41 C[C@H]1OCO[C@@H]1C(=O)O Amb27782406 [1,0,0,1,0,0|1,0,1]=4 1839 B9R1.41 NC1CCOC1C(=O)O Amb26642919 [1,0,0,1,0,0|1,0,1]=4 1840 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Amb31264036 [1,0,0,1,0,0|1,0,1]=4 1841 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Amb32666901 [1,0,0,1,0,0|1,0,1]=4 1842 B9R1.44 CC1(CC(=O)O)CC1F Amb32664391 [1,0,0,1,0,0|1,0,1]=4 1843 B9R1.52 C=C1CC(N)C1C(=O)O Amb27590177 [1,0,0,1,0,0|2,0,0]=4 1844 B9R1.52 CC1=CC(C)C1C(=O)O Amb28281140 [1,0,0,1,0,0|1,0,1]=4 1845 B9R1.52 CC1CC(O)C1C(=O)O Amb28076807 [1,0,0,1,0,0|0,0,1]=3 1846 B9R1.52 CC1CN(C)[C@@H]1C(=O)O Amb30869400 [1,0,0,1,0,0|2,0,0]=4 1847 B9R1.52 CC1CN(C)[C@H]1C(=O)O Amb34915559 [1,0,0,1,0,0|2,0,0]=4 1848 B9R1.52 C[C@H]1C[C@@H](O)[C@H]1C(=O)O Amb28057126 [1,0,0,1,0,0|0,0,1]=3 1849 B9R1.53 C=C1CC(CC(=O)O)C1 Amb35788335 [1,0,0,1,0,0|1,0,0]=3 1850 B9R1.53 C=C1CN(CC(=O)O)C1 Amb30026788 [1,0,0,1,0,0|2,0,0]=4 1851 B9R1.53 CC(=O)CC1CC(=O)N1 Amb26593659 [1,0,0,1,0,0|2,0,0]=4 1852 B9R1.53 CC(=O)OC1CC(=O)C1 Amb21961279 [1,0,0,1,0,0|2,0,0]=4 1853 B9R1.53 CC1CC(CC(=O)O)C1 Amb27461451 [1,0,0,1,0,0|1,0,1]=4 1854 B9R1.53 CN1CC(CC(=O)O)C1 Amb26596162 [1,0,0,1,0,0|2,0,0]=4 1855 B9R1.53 CN1CC(CC(=O)O)C1 Amb28895941 [1,0,0,1,0,0|2,0,0]=4 1856 B9R1.53 C[C@H]1C[C@H](CC(=O)O)C1 Amb27859343 [1,0,0,1,0,0|1,0,1]=4 1857 B9R1.53 NC(=O)CC1CC(=O)N1 Amb27186130 [1,0,0,1,0,0|2,0,0]=4 1858 B9R1.53 NC1CC(CC(=O)O)C1 Amb23440231 [1,0,0,1,0,0|1,0,1]=4 1859 B9R1.53 NC1CC(CC(=O)O)C1 Amb30585228 [1,0,0,1,0,0|1,0,1]=4 1860 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb23440232 [1,0,0,1,0,0|1,0,1]=4 1861 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb24056536 [1,0,0,1,0,0|1,0,1]=4 1862 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb23440233 [1,0,0,1,0,0|1,0,1]=4 1863 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb31291707 [1,0,0,1,0,0|1,0,1]=4 1864 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [1,0,0,1,0,0|0,0,0]=2 1865 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [1,0,0,1,0,0|1,0,0]=3 1866 B9R1.53 O=C(O)CC1CC(F)C1 Amb27186311 [1,0,0,1,0,0|1,0,1]=4 1867 B9R1.53 O=C(O)CN1CC(O)C1 Amb25339150 [1,0,0,1,0,0|1,0,1]=4 1868 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 Amb26043308 [1,0,0,1,0,0|0,0,1]=3 1869 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 Amb25204858 [1,0,0,1,0,0|0,0,1]=3 1870 B9R1.59 CC(=O)C1CC1CC=O Amb28058511 [1,0,0,1,0,0|1,0,0]=3 1871 B9R1.59 CC(=O)[C@@H]1C[C@@H]1CC=O Amb27229169 [1,0,0,1,0,0|1,0,0]=3 1872 B9R1.59 CCCC1CC1C(=O)O Amb19001459 [1,0,0,1,0,0|1,0,1]=4 1873 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O Amb9901777 [1,0,0,1,0,0|1,0,1]=4 1874 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Amb25368727 [1,0,0,1,0,0|1,0,1]=4 1875 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O Amb27782329 [1,0,0,1,0,0|1,0,1]=4 1876 B9R1.59 COCC1CC1C(=O)O Amb27404704 [1,0,0,1,0,0|2,0,0]=4 1877 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O Amb33098418 [1,0,0,1,0,0|2,0,0]=4 1878 B9R1.59 COC[C@H]1C[C@H]1C(=O)O Amb33098416 [1,0,0,1,0,0|2,0,0]=4 1879 B9R1.59 CSCC1CC1C(=O)O Amb33272939 [1,0,0,1,0,0|2,0,0]=4 1880 B9R1.59 CSC[C@@H]1C[C@H]1C(=O)O Amb33272937 [1,0,0,1,0,0|2,0,0]=4 1881 B9R1.59 C\C=C\C1CC1C(=O)O Amb27169581 [1,0,0,1,0,0|1,0,1]=4 1882 B9R1.59 C\C=C\[C@@H]1C[C@H]1C(=O)O Amb27771439 [1,0,0,1,0,0|1,0,1]=4 1883 B9R1.59 O=C(O)C1CC1CCF Amb33196442 [1,0,0,1,0,0|1,0,1]=4 1884 B9R1.59 O=C(O)[C@@H]1C[C@H]1CCF Amb33196453 [1,0,0,1,0,0|1,0,1]=4 1885 B9R1.86 CCC1CC1CC(=O)O Amb27249848 [1,0,0,1,0,0|1,0,1]=4 1886 B9R1.86 O=C(O)CC1CC1CF Amb27237859 [1,0,0,1,0,0|1,0,1]=4 1887 B9R1.136 O=CCC1CS(=O)(=O)C1 Amb28194347 [1,0,0,1,0,0|1,0,1]=4 1888 B9R1.137 CC(CC(=O)O)C1CC1 Amb6749210 [1,0,0,1,0,0|1,0,1]=4 1889 B9R1.171 CC1(CC(=O)O)CCC1 Amb22735897 [1,0,0,1,0,0|1,0,1]=4 1890 B9R1.171 CC1(CC(=O)O)COC1 Amb20671333 [1,0,0,1,0,0|2,0,0]=4 1891 B9R1.177 CC1(CCO)CC(=O)N1 Amb27798375 [1,0,0,1,0,0|1,0,1]=4 1892 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [1,0,0,1,0,0|2,0,0]=4 1893 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [1,0,0,1,0,0|2,0,0]=4 1894 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [1,0,0,1,0,0|1,0,0]=3 1895 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [1,0,0,1,0,0|2,0,0]=4 1896 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [1,0,0,1,0,0|2,0,0]=4 1897 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [1,0,0,1,0,0|1,0,0]=3 1898 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [1,0,0,1,0,0|2,0,0]=4 1899 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [1,0,0,1,0,0|2,0,0]=4 1900 B9R1.35 CC(O)C1CCC(=O)O1 Amb25998293 [1,0,0,1,0,0|1,0,1]=4 1901 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [1,0,0,1,0,0|2,0,0]=4 1902 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [1,0,0,1,0,0|2,0,0]=4 1903 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [1,0,0,1,0,0|2,0,0]=4 1904 B9R1.35 CC1CCC(C(=O)O)O1 Amb17593370 [1,0,0,1,0,0|1,0,1]=4 1905 B9R1.35 C[C@@H]1CCC(C(=O)O)O1 Amb33423875 [1,0,0,1,0,0|1,0,1]=4 1906 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 Amb22886534 [1,0,0,1,0,0|1,0,1]=4 1907 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 Amb24651587 [1,0,0,1,0,0|1,0,1]=4 1908 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [1,0,0,1,0,0|2,0,0]=4 1909 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [1,0,0,1,0,0|1,0,0]=3 1910 B9R1.35 NC(=O)C1CNC(=O)O1 Amb27200796 [1,0,0,1,0,0|2,0,0]=4 1911 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [1,0,0,1,0,0|2,0,0]=4 1912 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [1,0,0,1,0,0|1,0,0]=3 1913 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [1,0,0,1,0,0|2,0,0]=4 1914 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [1,0,0,1,0,0|1,0,0]=3 1915 B9R1.35 NC(=S)C1CCC(=O)O1 Amb27791679 [1,0,0,1,0,0|1,1,0]=4 1916 B9R1.35 NC1=NC(C(=O)O)CC1 Amb32718833 [1,0,0,1,0,0|2,0,0]=4 1917 B9R1.35 NC1=N[C@@H](C(=O)O)CC1 Amb27202599 [1,0,0,1,0,0|2,0,0]=4 1918 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [1,0,0,1,0,0|1,0,1]=4 1919 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [1,0,0,1,0,0|1,1,0]=4 1920 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [1,0,0,1,0,0|1,0,1]=4 1921 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [1,0,0,1,0,0|1,0,1]=4 1922 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [1,0,0,1,0,0|1,0,1]=4 1923 B9R1.35 O=C(O)[C@H]1CC[C@H](O)N1 Amb27421972 [1,0,0,1,0,0|1,0,1]=4 1924 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [1,0,0,1,0,0|1,0,1]=4 1925 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [1,0,0,1,0,0|2,0,0]=4 1926 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [1,0,0,1,0,0|2,0,0]=4 1927 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [1,0,0,1,0,0|2,0,0]=4 1928 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [1,0,0,1,0,0|2,0,0]=4 1929 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [1,0,0,1,0,0|2,0,0]=4 1930 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [1,0,0,1,0,0|1,0,0]=3 1931 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [1,0,0,1,0,0|1,0,0]=3 1932 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [1,0,0,1,0,0|1,0,0]=3 1933 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [1,0,0,1,0,0|0,0,0]=2 1934 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [1,0,0,1,0,0|0,1,0]=3 1935 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [1,0,0,1,0,0|1,0,1]=4 1936 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [1,0,0,1,0,0|1,0,0]=3 1937 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [1,0,0,1,0,0|1,0,0]=3 1938 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [1,0,0,1,0,0|1,0,0]=3 1939 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [1,0,0,1,0,0|1,0,0]=3 1940 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [1,0,0,1,0,0|0,0,0]=2 1941 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [1,0,0,1,0,0|1,0,1]=4 1942 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [1,0,0,1,0,0|1,0,0]=3 1943 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [1,0,0,1,0,0|1,0,0]=3 1944 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [1,0,0,1,0,0|1,0,0]=3 1945 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [1,0,0,1,0,0|0,0,0]=2 1946 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [1,0,0,1,0,0|2,0,0]=4 1947 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [1,0,0,1,0,0|2,0,0]=4 1948 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [1,0,0,1,0,0|2,0,0]=4 1949 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [1,0,0,1,0,0|2,0,0]=4 1950 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [1,0,0,1,0,0|2,0,0]=4 1951 B9R1.35 O=C1CSC(C(=O)Cl)O1 Amb25724287 [1,0,0,1,0,0|2,0,0]=4 1952 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [1,0,0,1,0,0|2,0,0]=4 1953 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [1,0,0,1,0,0|1,0,0]=3 1954 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [1,0,0,1,0,0|2,0,0]=4 1955 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [1,0,0,1,0,0|2,0,0]=4 1956 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [1,0,0,1,0,0|2,0,0]=4 1957 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [1,0,0,1,0,0|2,0,0]=4 1958 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [1,0,0,1,0,0|2,0,0]=4 1959 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [1,0,0,1,0,0|2,0,0]=4 1960 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [1,0,0,1,0,0|1,0,0]=3 1961 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [1,0,0,1,0,0|1,1,0]=4 1962 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [1,0,0,1,0,0|2,0,0]=4 1963 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [1,0,0,1,0,0|1,0,0]=3 1964 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [1,0,0,1,0,0|2,0,0]=4 1965 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [1,0,0,1,0,0|1,0,0]=3 1966 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [1,0,0,1,0,0|2,0,0]=4 1967 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [1,0,0,1,0,0|2,0,0]=4 1968 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [1,0,0,1,0,0|2,0,0]=4 1969 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [1,0,0,1,0,0|2,0,0]=4 1970 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [1,0,0,1,0,0|1,0,0]=3 1971 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [1,0,0,1,0,0|1,1,0]=4 1972 B9R1.49 O=C1C=CC(=O)CCC1 Amb28351041 [1,0,0,1,0,0|2,0,0]=4 1973 B9R1.49 O=C1CCCC(O)CO1 Amb28138759 [1,0,0,1,0,0|1,0,1]=4 1974 B9R1.49 O=C1COC(=O)CCN1 Amb27168286 [1,0,0,1,0,0|2,0,0]=4 1975 B9R1.85 O=C(O)CCCC1CO1 Amb28453878 [1,0,0,1,0,0|1,0,1]=4 1976 B9R1.85 O=C(O)CCC[C@@H]1CO1 Amb27257665 [1,0,0,1,0,0|1,0,1]=4 1977 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [1,0,0,1,0,0|2,0,0]=4 1978 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [1,0,0,1,0,0|2,0,0]=4 1979 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [1,0,0,1,0,0|2,0,0]=4 1980 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [1,0,0,1,0,0|2,0,0]=4 1981 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [1,0,0,1,0,0|2,0,0]=4 1982 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [1,0,0,1,0,0|1,0,1]=4 1983 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [1,0,0,1,0,0|1,0,1]=4 1984 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [1,0,0,1,0,0|1,0,1]=4 1985 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|1,0,0]=3 1986 B9R1.161 NC(=O)C1CC1C(N)=O Amb27661569 [1,0,0,1,0,0|2,0,0]=4 1987 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [1,0,0,1,0,0|2,0,0]=4 1988 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [1,0,0,1,0,0|1,0,0]=3 1989 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [1,0,0,1,0,0|1,0,0]=3 1990 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [1,0,0,1,0,0|1,0,0]=3 1991 B9R1.161 O=C(O)C1CC1B(O)O Amb27599742 [1,0,0,1,0,0|1,0,1]=4 1992 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [1,0,0,1,0,0|1,0,0]=3 1993 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|0,0,0]=2 1994 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [1,0,0,1,0,0|1,0,1]=4 1995 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [1,0,0,1,0,0|1,0,0]=3 1996 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [1,0,0,1,0,0|0,0,0]=2 1997 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [1,0,0,1,0,0|1,0,1]=4 1998 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [1,0,0,1,0,0|1,0,0]=3 1999 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [1,0,0,1,0,0|0,0,0]=2 2000 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [1,0,0,1,0,0|1,0,1]=4 2001 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [1,0,0,1,0,0|0,0,0]=2 2002 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [1,0,0,1,0,0|1,0,0]=3 2003 B9R1.166 O=C(O)C1CCS1(=O)=O Amb33309510 [1,0,0,1,0,0|1,0,1]=4 2004 B9R1.55 NC1C(=O)NC1C(=O)O Amb25871338 [0,0,0,1,1,0|2,0,0]=4 2005 B9R1.69 CC1CC(=O)C=CC1=O Amb27750328 [0,0,0,1,1,0|2,0,0]=4 2006 B9R1.69 CC1CC(=O)OCC1O Amb27956456 [0,0,0,1,1,0|1,0,1]=4 2007 B9R1.69 CC1NC(=O)COC1=O Amb20669551 [0,0,0,1,1,0|2,0,0]=4 2008 B9R1.69 CC1OC(=O)COC1=O Amb27421415 [0,0,0,1,1,0|2,0,0]=4 2009 B9R1.69 C[C@@H]1NC(=O)COC1=O Amb28059067 [0,0,0,1,1,0|2,0,0]=4 2010 B9R1.152 C=C1CC(C)(C(=O)O)C1 Amb25887446 [0,0,0,1,1,0|2,0,0]=4 2011 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [0,0,0,1,1,0|1,0,0]=3 2012 B9R1.152 CC1(C(=O)O)CC(O)C1 Amb33361249 [0,0,0,1,1,0|1,0,1]=4 2013 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [0,0,0,1,1,0|2,0,0]=4 2014 B9R1.164 CC1(O)CC(C(=O)O)C1 Amb33545096 [0,0,0,1,1,0|1,0,1]=4 2015 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 Amb23440037 [0,0,0,1,1,0|1,0,1]=4 2016 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 Amb23440038 [0,0,0,1,1,0|1,0,1]=4 2017 B9R1.164 O=C(O)C1CC(O)(O)C1 Amb27490909 [0,0,0,1,1,0|0,0,2]=4 2018 B9R1.164 O=C(O)C1CP(=O)(O)C1 Amb4297467 [0,0,0,1,1,0|1,0,0]=3 2019 B9R1.164 O=C(O)C1CS(=O)(=O)C1 Amb8439029 [0,0,0,1,1,0|1,0,1]=4 2020 B11R1.20 CC1CCC(CC(=O)O)CO1 Amb29866063 [0,0,0,1,0,1|1,0,1]=4 2021 B11R1.20 CC1CNC(CC(=O)O)CO1 Amb27462541 [0,0,0,1,0,1|1,0,1]=4 2022 B11R1.20 NC(=O)CC1CCC(=O)CC1 Amb28048062 [0,0,0,1,0,1|2,0,0]=4 2023 B11R1.20 NC(=O)CC1CNC(=O)CO1 Amb27638841 [0,0,0,1,0,1|2,0,0]=4 2024 B11R1.20 O=C(O)CC1CCC(=O)CC1 Amb10607825 [0,0,0,1,0,1|1,0,0]=3 2025 B11R1.20 O=C(O)CC1CCC(=O)NC1 Amb18200019 [0,0,0,1,0,1|1,0,0]=3 2026 B11R1.20 O=C(O)CC1CCC(O)CC1 Amb18126157 [0,0,0,1,0,1|1,0,1]=4 2027 B11R1.20 O=C(O)CC1CNC(=O)CN1 Amb24655930 [0,0,0,1,0,1|1,0,0]=3 2028 B11R1.20 O=C(O)CN1CCC(=O)CC1 Amb21955570 [0,0,0,1,0,1|2,0,0]=4 2029 B11R1.20 O=C(O)CN1CCC(=O)CC1 Amb2721845 [0,0,0,1,0,1|2,0,0]=4 2030 B11R1.20 O=C(O)C[C@H]1CC[C@H](O)CN1 Amb27629758 [0,0,0,1,0,1|1,0,1]=4 2031 B11R1.20 O=C(O)C[C@H]1CNC(=O)CN1 Amb27473255 [0,0,0,1,0,1|1,0,0]=3 2032 B11R1.74 CC(=O)C1CC(=O)CC(C)C1 Amb25937018 [0,0,0,1,0,1|2,0,0]=4 2033 B11R1.74 CC1=CC(C(=O)O)CC(C)C1 Amb26585310 [0,0,0,1,0,1|2,0,0]=4 2034 B11R1.74 CC1CC(=O)CC(C(=O)O)N1 Amb18200027 [0,0,0,1,0,1|1,0,0]=3 2035 B11R1.74 CC1CC(=O)CC(C(N)=O)N1 Amb27633258 [0,0,0,1,0,1|2,0,0]=4 2036 B11R1.74 CC1CC(=O)NC(C(=O)O)C1 Amb26352891 [0,0,0,1,0,1|1,0,0]=3 2037 B11R1.74 CC1CC(C(=O)O)CC(=O)N1 Amb27628365 [0,0,0,1,0,1|2,0,0]=4 2038 B11R1.74 CC1CC(C)OC(C(=O)O)C1 Amb18830486 [0,0,0,1,0,1|1,0,1]=4 2039 B11R1.74 CC1CS(=O)C[C@@H](C(=O)O)N1 Amb28244788 [0,0,0,1,0,1|2,0,0]=4 2040 B11R1.74 CC1C[C@@H](O)C[C@H](C(=O)O)C1 Amb28195097 [0,0,0,1,0,1|1,0,1]=4 2041 B11R1.74 CC1NC(=O)CC(C(=O)O)N1 Amb28399335 [0,0,0,1,0,1|2,0,0]=4 2042 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(=O)O)C1 Amb28134065 [0,0,0,1,0,1|1,0,0]=3 2043 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(N)=O)C1 Amb27854487 [0,0,0,1,0,1|2,0,0]=4 2044 B11R1.74 C[C@@H]1C[C@H](O)C[C@H](C(=O)O)C1 Amb28384451 [0,0,0,1,0,1|1,0,1]=4 2045 B11R1.74 C[C@H]1CC(=O)N[C@@H](C(=O)O)C1 Amb28284476 [0,0,0,1,0,1|1,0,0]=3 2046 B11R1.74 C[C@H]1C[C@H](O)C[C@H](C(=O)O)C1 Amb28051869 [0,0,0,1,0,1|1,0,1]=4 2047 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 Amb18199921 [0,0,0,1,0,1|2,0,0]=4 2048 B11R1.74 O=C1CC(=O)OC(C(=O)O)C1 Amb26849736 [0,0,0,1,0,1|1,0,1]=4 2049 B11R1.74 O=C1CC(O)CC(C(=O)O)N1 Amb28077591 [0,0,0,1,0,1|2,0,0]=4 2050 B11R1.75 CC(=O)CCC1CCC(=O)C1 Amb25984891 [0,0,0,1,0,1|2,0,0]=4 2051 B11R1.75 CC(=O)CSC1COC(=O)O1 Amb27840334 [0,0,0,1,0,1|2,0,0]=4 2052 B11R1.75 CC(=O)OCC1CCC(=O)C1 Amb25821465 [0,0,0,1,0,1|2,0,0]=4 2053 B11R1.75 CC(=O)OCC1CNC(=O)C1 Amb28436007 [0,0,0,1,0,1|2,0,0]=4 2054 B11R1.75 CC(=O)OCC1COC(=O)N1 Amb27411851 [0,0,0,1,0,1|2,0,0]=4 2055 B11R1.75 CC(=O)OC[C@@H]1CCC(=O)C1 Amb27749663 [0,0,0,1,0,1|2,0,0]=4 2056 B11R1.75 CC1CC(NCC(=O)O)CO1 Amb35728621 [0,0,0,1,0,1|1,0,1]=4 2057 B11R1.75 NC(=O)NCC1CNC(=O)C1 Amb27881825 [0,0,0,1,0,1|2,0,0]=4 2058 B11R1.75 NC(=O)OCC1COC(=O)O1 Amb28121041 [0,0,0,1,0,1|2,0,0]=4 2059 B11R1.75 O=C(O)CCC1=NOC(=O)C1 Amb27209293 [0,0,0,1,0,1|1,0,1]=4 2060 B11R1.75 O=C(O)CCC1CCC(=O)N1 Amb551261 [0,0,0,1,0,1|2,0,0]=4 2061 B11R1.75 O=C(O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,1|2,0,0]=4 2062 B11R1.75 O=C(O)CCC1CNC(=O)N1 Amb27955291 [0,0,0,1,0,1|2,0,0]=4 2063 B11R1.75 O=C(O)CCC1COC(=O)N1 Amb24358987 [0,0,0,1,0,1|1,0,0]=3 2064 B11R1.75 O=C(O)CCN1CC(=O)ON1 Amb27865614 [0,0,0,1,0,1|2,0,0]=4 2065 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 Amb27622656 [0,0,0,1,0,1|2,0,0]=4 2066 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 Amb27627802 [0,0,0,1,0,1|2,0,0]=4 2067 B11R1.75 O=C(O)CC[C@H]1COC(=O)C1 Amb28123271 [0,0,0,1,0,1|0,0,0]=2 2068 B11R1.75 O=C(O)CNC1CNC(=O)C1 Amb26879759 [0,0,0,1,0,1|1,0,0]=3 2069 B11R1.75 O=C(O)CSC1CCC(=O)N1 Amb2428430 [0,0,0,1,0,1|2,0,0]=4 2070 B11R1.75 O=C([O-])CNC1CNC(=O)C1 Amb33457267 [0,0,0,1,0,1|1,0,1]=4 2071 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [0,0,0,1,0,1|0,0,0]=2 2072 B11R1.108 O=C(O)C1CC(=O)C1C(=O)O Amb34149611 [0,0,0,1,0,1|1,0,1]=4 2073 B11R1.108 O=C(O)[C@H]1CC(=O)[C@@H]1C(=O)O Amb34913067 [0,0,0,1,0,1|1,0,1]=4 2074 B11R1.108 O=C(O)[C@H]1CC(=O)[C@H]1C(=O)O Amb34912796 [0,0,0,1,0,1|1,0,1]=4 2075 B11R1.152 C=C1CN(C(C)CC(=O)O)C1 Amb35605520 [0,0,0,1,0,1|2,0,0]=4 2076 B11R1.167 C=C1CCC(C)C(C(=O)O)C1 Amb28119008 [0,0,0,1,0,1|2,0,0]=4 2077 B11R1.167 CC(=O)C1CC(=O)CCC1C Amb27199692 [0,0,0,1,0,1|2,0,0]=4 2078 B11R1.167 CC(=O)[C@@H]1CC(=O)CC[C@H]1C Amb27768027 [0,0,0,1,0,1|2,0,0]=4 2079 B11R1.167 CC1CCC(=O)CC1C(=O)O Amb32867785 [0,0,0,1,0,1|1,0,0]=3 2080 B11R1.167 CC1CCC(=O)CC1C(N)=O Amb32865390 [0,0,0,1,0,1|2,0,0]=4 2081 B11R1.167 CC1CCC(O)CC1C(=O)O Amb24392245 [0,0,0,1,0,1|1,0,1]=4 2082 B11R1.167 CC1CC[C@H](O)C[C@H]1C(=O)O Amb28195098 [0,0,0,1,0,1|1,0,1]=4 2083 B11R1.167 CC1CNC(=O)CC1C(=O)O Amb33099388 [0,0,0,1,0,1|1,0,0]=3 2084 B11R1.167 CN1CCC(=O)CC1C(=O)O Amb18200028 [0,0,0,1,0,1|2,0,0]=4 2085 B11R1.167 C[C@H](O)[C@H]1OC(=O)CC[C@H]1C Amb28065218 [0,0,0,1,0,1|1,0,1]=4 2086 B11R1.167 C[C@H]1OCC(=O)N[C@@H]1C(=O)O Amb27453688 [0,0,0,1,0,1|1,0,0]=3 2087 B11R1.167 C[C@H]1OCC(=O)N[C@@H]1C(N)=O Amb27973909 [0,0,0,1,0,1|2,0,0]=4 2088 B11R1.167 O=C1CC[C@H](O)[C@H](C(=O)O)N1 Amb25174915 [0,0,0,1,0,1|2,0,0]=4 2089 B11R1.518 C=C(C)CC1C(C)C1C(=O)O Amb27845512 [0,0,0,1,0,1|2,0,0]=4 2090 B11R1.518 C=C(C)C[C@H]1C(C)[C@@H]1C(=O)O Amb27880588 [0,0,0,1,0,1|2,0,0]=4 2091 B11R1.518 CC(C)=C[C@@H]1[C@H](C)[C@@H]1C(=O)O Amb27238005 [0,0,0,1,0,1|2,0,0]=4 2092 B11R1.518 CC(C)=C[C@H]1[C@H](C)[C@H]1C(=O)O Amb24711211 [0,0,0,1,0,1|2,0,0]=4 2093 B11R1.518 CC1C(C=C(Cl)Cl)C1C(=O)O Amb27594953 [0,0,0,1,0,1|2,0,0]=4 2094 B11R1.645 CC1=C(CC(=O)O)OC(=O)N1 Amb18830674 [0,0,0,1,0,1|1,0,1]=4 2095 B11R1.645 CC1=CC(=O)OC1CC(=O)O Amb18125925 [0,0,0,1,0,1|0,0,2]=4 2096 B11R1.645 CC1CC(=O)OC1CC(=O)O Amb28458582 [0,0,0,1,0,1|0,0,0]=2 2097 B11R1.645 CC1CC(O)CN1CC(=O)O Amb27483321 [0,0,0,1,0,1|1,0,1]=4 2098 B11R1.645 C[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18830651 [0,0,0,1,0,1|2,0,0]=4 2099 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 Amb1154428 [0,0,0,1,0,1|1,0,1]=4 2100 B11R1.710 O=C(O)CC1CCS(O)(O)C1 Amb27798771 [0,0,0,1,0,1|1,0,1]=4 2101 B11R1.711 CC(=O)C1CC1CCC(=O)O Amb27990217 [0,0,0,1,0,1|1,0,0]=3 2102 B11R1.711 CC(=O)CCC1CC1C(=O)O Amb25384585 [0,0,0,1,0,1|1,0,0]=3 2103 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(=O)O Amb25384133 [0,0,0,1,0,1|1,0,0]=3 2104 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(=O)O Amb25383057 [0,0,0,1,0,1|1,0,0]=3 2105 B11R1.711 CC(=O)NCC1CC1C(=O)O Amb27872119 [0,0,0,1,0,1|1,0,0]=3 2106 B11R1.711 CC(=O)NC[C@@H]1C[C@@H]1C(=O)O Amb28244758 [0,0,0,1,0,1|1,0,0]=3 2107 B11R1.711 CC(=O)OC[C@@H]1C[C@H]1C(=O)O Amb26659372 [0,0,0,1,0,1|1,0,0]=3 2108 B11R1.740 O=C(O)CC1CC1CC(=O)O Amb4015364 [0,0,0,1,0,1|0,0,0]=2 2109 B11R1.743 CC(=O)C1CC(CC(=O)O)C1 Amb25202475 [0,0,0,1,0,1|1,0,0]=3 2110 B11R1.743 CC(=O)N1CC(CC(N)=O)C1 Amb27840389 [0,0,0,1,0,1|2,0,0]=4 2111 B11R1.743 CC(=O)NC1CC(C(=O)O)C1 Amb23441142 [0,0,0,1,0,1|2,0,0]=4 2112 B11R1.743 CC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887511 [0,0,0,1,0,1|2,0,0]=4 2113 B11R1.743 CC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35585911 [0,0,0,1,0,1|2,0,0]=4 2114 B11R1.743 NC(=O)NC1CC(C(=O)O)C1 Amb35659136 [0,0,0,1,0,1|2,0,0]=4 2115 B11R1.743 NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887629 [0,0,0,1,0,1|2,0,0]=4 2116 B11R1.743 NC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35645356 [0,0,0,1,0,1|2,0,0]=4 2117 B11R1.1039 C=C(Br)CC1(C)CCC(=O)O1 Amb28133820 [0,0,0,1,0,1|2,0,0]=4 2118 B11R1.1039 CC1COC(C)(CC(=O)O)O1 Amb27438516 [0,0,0,1,0,1|1,0,1]=4 2119 B11R1.1039 NC1(CC(=O)O)CNC(=O)C1 Amb27634133 [0,0,0,1,0,1|2,0,0]=4 2120 B11R1.1039 O=C(O)CC1(O)C=CC(=O)O1 Amb28118906 [0,0,0,1,0,1|1,0,1]=4 2121 B11R1.1039 O=C(O)CC1(O)CCC(=O)O1 Amb27823336 [0,0,0,1,0,1|1,0,0]=3 2122 B11R1.1040 C[C@H]1CC[P@@](C)(=O)[C@H]1C(=O)O Amb27210541 [0,0,0,1,0,1|2,0,0]=4 2123 B11R1.149 C=C1CC1C(C)C(N)C(=O)O Amb25916404 [0,1,0,1,0,0|2,0,0]=4 2124 B11R1.166 CC(=O)[C@@H]1CCC(=O)C[C@@H]1C Amb24571662 [0,1,0,1,0,0|2,0,0]=4 2125 B11R1.166 CC(=O)[C@H]1CCC(=O)C[C@H]1C Amb26032690 [0,1,0,1,0,0|2,0,0]=4 2126 B11R1.166 CC1=CCC(C(=O)O)C(C)C1 Amb18125766 [0,1,0,1,0,0|2,0,0]=4 2127 B11R1.166 CC1=CCC(C(=O)O)[C@@H](C)C1 Amb27233603 [0,1,0,1,0,0|2,0,0]=4 2128 B11R1.166 CC1=CCC(C(=O)O)[C@H](C)C1 Amb27808251 [0,1,0,1,0,0|2,0,0]=4 2129 B11R1.166 CC1=CC[C@@H](C(=O)O)[C@H](C)C1 Amb25697299 [0,1,0,1,0,0|2,0,0]=4 2130 B11R1.166 CC1=CC[C@H](C(=O)O)[C@@H](C)C1 Amb24601788 [0,1,0,1,0,0|2,0,0]=4 2131 B11R1.166 CC1CC(=O)CCC1C(=O)O Amb18125961 [0,1,0,1,0,0|1,0,0]=3 2132 B11R1.166 CC1CC(=O)NCC1C(=O)O Amb25149101 [0,1,0,1,0,0|1,0,0]=3 2133 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O Amb24511958 [0,1,0,1,0,0|1,0,0]=3 2134 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O Amb24571688 [0,1,0,1,0,0|1,0,0]=3 2135 B11R1.313 C=C1C(=O)CCC1CC(=O)O Amb25700924 [0,1,0,1,0,0|1,0,1]=4 2136 B11R1.313 C=C1OCC(CC(C)=O)C1C Amb28200024 [0,1,0,1,0,0|2,0,0]=4 2137 B11R1.313 CC(=O)C[C@@H]1CCC(=O)[C@H]1C Amb26024208 [0,1,0,1,0,0|2,0,0]=4 2138 B11R1.313 CC(=O)C[C@H]1CCC(=O)[C@H]1C Amb27212451 [0,1,0,1,0,0|2,0,0]=4 2139 B11R1.313 CC1C(=O)CCC1CC(=O)O Amb18125960 [0,1,0,1,0,0|1,0,0]=3 2140 B11R1.313 CC1OCC(CC(=O)O)C1C Amb29868243 [0,1,0,1,0,0|1,0,1]=4 2141 B11R1.313 CN1C(=O)CCC1CC(=O)O Amb6316139 [0,1,0,1,0,0|2,0,0]=4 2142 B11R1.313 CN1C(=O)CC[C@@H]1CC(=O)O Amb27658937 [0,1,0,1,0,0|2,0,0]=4 2143 B11R1.313 C[C@@H]1C(=O)CC[C@H]1CC(=O)O Amb28385685 [0,1,0,1,0,0|1,0,0]=3 2144 B11R1.313 NC1C(=O)NOC1CC(=O)O Amb27643083 [0,1,0,1,0,0|2,0,0]=4 2145 B11R1.314 CC(C(=O)O)C1CCC(=O)C1 Amb27596870 [0,1,0,1,0,0|1,0,0]=3 2146 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Amb24741902 [0,1,0,1,0,0|2,0,0]=4 2147 B11R1.314 CC1CC(C(C)C(=O)O)CO1 Amb29866067 [0,1,0,1,0,0|1,0,1]=4 2148 B11R1.314 CC1CC(C(F)C(=O)O)CO1 Amb29866068 [0,1,0,1,0,0|1,0,1]=4 2149 B11R1.314 CC1CC(C(N)C(=O)O)CO1 Amb35660772 [0,1,0,1,0,0|1,0,1]=4 2150 B11R1.314 CC1CC(C(O)C(=O)O)CO1 Amb29850322 [0,1,0,1,0,0|1,0,1]=4 2151 B11R1.314 NC(=O)C(N)C1CCC(=O)C1 Amb27159565 [0,1,0,1,0,0|2,0,0]=4 2152 B11R1.314 NC(C(=O)O)C1CCC(=O)C1 Amb27828292 [0,1,0,1,0,0|1,0,0]=3 2153 B11R1.314 NC(C(=O)O)C1CCC(=O)O1 Amb27955898 [0,1,0,1,0,0|2,0,0]=4 2154 B11R1.314 NC(C(=O)O)C1CN=C(Cl)C1 Amb28281848 [0,1,0,1,0,0|2,0,0]=4 2155 B11R1.314 N[C@@H](C(=O)O)C1CCC(=O)C1 Amb25148224 [0,1,0,1,0,0|1,0,0]=3 2156 B11R1.314 N[C@H](C(=O)O)C1CCC(=O)C1 Amb26955070 [0,1,0,1,0,0|1,0,0]=3 2157 B11R1.314 O=C1CCC(C(O)C(=O)O)N1 Amb28121038 [0,1,0,1,0,0|2,0,0]=4 2158 B11R1.314 O=C1OC[C@H]([C@@H](O)C(=O)O)O1 Amb27966811 [0,1,0,1,0,0|1,0,0]=3 2159 B11R1.490 CC(=O)C1(C)OC(=O)CC1C Amb26865792 [0,1,0,1,0,0|1,0,0]=3 2160 B11R1.490 CC1CC(=O)NC1(C)C(N)=O Amb27613221 [0,1,0,1,0,0|2,0,0]=4 2161 B11R1.490 CC1CC(=O)OC1(C)C(=O)O Amb18644983 [0,1,0,1,0,0|0,0,0]=2 2162 B11R1.519 CN1[C@@H](C(=O)O)C[C@@H]1C(=O)O Amb25295430 [0,1,0,1,0,0|1,0,0]=3 2163 B11R1.519 CN1[C@H](C(=O)O)C[C@H]1C(=O)O Amb28052125 [0,1,0,1,0,0|1,0,0]=3 2164 B11R1.591 CC1C(O)C(C)(O)C1C(=O)O Amb28385622 [0,1,0,1,0,0|1,0,1]=4 2165 B11R1.672 CC(=O)C1OC(=O)C(O)C1O Amb28074805 [0,1,0,1,0,0|2,0,0]=4 2166 B11R1.672 CC1C(=O)OC(C(N)=O)C1C Amb27791768 [0,1,0,1,0,0|1,0,0]=3 2167 B11R1.672 CC1C(C(=O)O)CC(=O)N1C Amb27839647 [0,1,0,1,0,0|2,0,0]=4 2168 B11R1.672 C[C@@H]1[C@@H](C(=O)O)CC(=O)N1C Amb18200021 [0,1,0,1,0,0|2,0,0]=4 2169 B11R1.672 O=C1OC(C(=O)O)C(O)C1O Amb27875078 [0,1,0,1,0,0|1,0,0]=3 2170 B11R1.704 CC(=O)[C@@H]1C[C@H]1C(N)C(=O)O Amb27467898 [0,1,0,1,0,0|1,0,0]=3 2171 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [0,1,0,1,0,0|0,0,0]=2 2172 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [0,1,0,1,0,0|0,0,0]=2 2173 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [0,1,0,1,0,0|0,0,0]=2 2174 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb22352678 [0,1,0,1,0,0|0,0,0]=2 2175 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O Amb19930360 [0,1,0,1,0,0|0,0,0]=2 2176 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O Amb22388556 [0,1,0,1,0,0|0,0,0]=2 2177 B11R1.708 CC(=O)C1CCC1CC(=O)O Amb25918239 [0,1,0,1,0,0|1,0,0]=3 2178 B11R1.708 CC(=O)SC1CCC1C(=O)O Amb27201581 [0,1,0,1,0,0|2,0,0]=4 2179 B11R1.708 NC(=O)C1CCN1CC(=O)O Amb33251341 [0,1,0,1,0,0|2,0,0]=4 2180 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,1,0,1,0,0|0,0,0]=2 2181 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,1,0,1,0,0|0,0,0]=2 2182 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,1,0,1,0,0|0,0,0]=2 2183 B11R1.708 O=C([O-])CC1C[NH2+]C1C(=O)[O-] Amb33513102 [0,1,0,1,0,0|0,0,2]=4 2184 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [0,1,0,1,0,0|0,0,0]=2 2185 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [0,1,0,1,0,0|0,0,0]=2 2186 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [0,1,0,1,0,0|0,0,0]=2 2187 B11R1.1106 NC(C(=O)O)C1CS(=O)(=O)C1 Amb24610746 [0,1,0,1,0,0|1,0,1]=4 2188 B11R1.1293 CC1C(C(=O)O)C1(Cl)C(=O)O Amb27945670 [0,1,0,1,0,0|0,0,0]=2 2189 B11R1.1293 C[C@@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27858781 [0,1,0,1,0,0|0,0,0]=2 2190 B11R1.1293 C[C@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27865565 [0,1,0,1,0,0|0,0,0]=2 2191 B11R1.76 O=C1CC(CS(=O)(=O)Cl)CO1 Amb27437978 [0,1,0,1,0,0|1,0,1]=4 2192 B11R1.705 CS(=O)(=O)CC1CC1C(=O)O Amb33056354 [0,1,0,1,0,0|1,0,1]=4 2193 B11R1.705 CS(=O)(=O)C[C@@H]1C[C@H]1C(=O)O Amb33056355 [0,1,0,1,0,0|1,0,1]=4 2194 B11R1.705 O=C(O)C1CC1CS(=O)(=O)Cl Amb27831066 [0,1,0,1,0,0|1,0,1]=4 2195 B11R1.1413 NC1(CC(=O)O)CS(=O)(=O)C1 Amb27813577 [0,1,0,1,0,0|1,0,1]=4 2196 B11R1.1413 NC1(CC(=O)O)CS(=O)(=O)C1 Amb33484327 [0,1,0,1,0,0|1,0,1]=4 2197 B11R1.1413 O=C(O)CC1(O)CS(=O)(=O)C1 Amb33036122 [0,1,0,1,0,0|1,0,1]=4 2198 B11R1.39 C=C(CO)CC1CCC(=O)C1 Amb28253855 [0,1,0,1,0,0|2,0,0]=4 2199 B11R1.39 CNC(=O)CC1COC(=O)C1 Amb28064615 [0,1,0,1,0,0|1,0,0]=3 2200 B11R1.39 COC(=O)CC1=NOC(=O)C1 Amb22492005 [0,1,0,1,0,0|1,0,1]=4 2201 B11R1.39 COC(=O)CC1C=CC(=O)C1 Amb28351402 [0,1,0,1,0,0|1,0,1]=4 2202 B11R1.39 COC(=O)CC1CCC(=O)C1 Amb21962984 [0,1,0,1,0,0|1,0,0]=3 2203 B11R1.39 COC(=O)CC1CCC(O)C1 Amb26009531 [0,1,0,1,0,0|1,0,1]=4 2204 B11R1.39 COC(=O)CC1CNC(=O)C1 Amb23453157 [0,1,0,1,0,0|1,0,0]=3 2205 B11R1.39 COC(=O)CC1COC(=O)N1 Amb27184103 [0,1,0,1,0,0|1,0,0]=3 2206 B11R1.39 COC(=O)C[C@@H]1CCC(=O)C1 Amb25922870 [0,1,0,1,0,0|1,0,0]=3 2207 B11R1.39 COC(=O)C[C@@H]1CC[C@@H](O)C1 Amb26957023 [0,1,0,1,0,0|1,0,1]=4 2208 B11R1.39 COC(=O)C[C@@H]1CC[C@H](O)C1 Amb25054455 [0,1,0,1,0,0|1,0,1]=4 2209 B11R1.39 COC(=O)C[C@@H]1CNC(=O)N1 Amb28046451 [0,1,0,1,0,0|2,0,0]=4 2210 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 Amb26494429 [0,1,0,1,0,0|1,0,0]=3 2211 B11R1.39 COC(=O)NC1CNC(=O)C1 Amb27425284 [0,1,0,1,0,0|2,0,0]=4 2212 B11R1.39 NCC(=O)CC1COC(=O)C1 Amb27617438 [0,1,0,1,0,0|1,0,0]=3 2213 B11R1.39 NNC(=O)CC1COC(=O)C1 Amb27768083 [0,1,0,1,0,0|1,0,0]=3 2214 B11R1.39 O=C(CC1COC(=O)C1)NO Amb28043753 [0,1,0,1,0,0|0,0,0]=2 2215 B11R1.39 O=C1CC(NC(=O)CO)CN1 Amb28249414 [0,1,0,1,0,0|2,0,0]=4 2216 B11R1.43 CCC1CC(CC(=O)O)CO1 Amb35633941 [0,1,0,1,0,0|1,0,1]=4 2217 B11R1.43 NCC1CC(CC(=O)O)CO1 Amb33802879 [0,1,0,1,0,0|1,0,1]=4 2218 B11R1.43 NCC1CC(CC(=O)O)CO1 Amb33802996 [0,1,0,1,0,0|1,0,1]=4 2219 B11R1.43 O=C(O)CC1CC\C(=N/O)C1 Amb32415691 [0,1,0,1,0,0|1,0,0]=3 2220 B11R1.50 CC1CN(C=O)CC1C(=O)O Amb27466138 [0,1,0,1,0,0|2,0,0]=4 2221 B11R1.80 CC1=C(C)CC(CC(=O)O)C1 Amb25361000 [0,1,0,1,0,0|2,0,0]=4 2222 B11R1.80 CN1CC(CC(=O)O)CC1=O Amb8009856 [0,1,0,1,0,0|1,0,0]=3 2223 B11R1.80 CN1CC(CC(=O)O)OC1=O Amb18830410 [0,1,0,1,0,0|2,0,0]=4 2224 B11R1.80 O=C(O)CC1CC(=O)C(=O)C1 Amb9782770 [0,1,0,1,0,0|0,0,1]=3 2225 B11R1.157 CC(=O)CC1CC=CC(=O)C1 Amb27785422 [0,1,0,1,0,0|2,0,0]=4 2226 B11R1.157 CC(=O)CN1CCOC(=O)C1 Amb27866493 [0,1,0,1,0,0|2,0,0]=4 2227 B11R1.157 CC1CC(CC(=O)O)CCO1 Amb27865036 [0,1,0,1,0,0|1,0,1]=4 2228 B11R1.157 O=C(O)CC1CCCC(=O)C1 Amb8487121 [0,1,0,1,0,0|1,0,0]=3 2229 B11R1.157 O=C(O)CC1CCCC(=O)N1 Amb18200018 [0,1,0,1,0,0|2,0,0]=4 2230 B11R1.157 O=C(O)CC1CCCC(O)C1 Amb18645020 [0,1,0,1,0,0|1,0,1]=4 2231 B11R1.157 O=C(O)CC1CCNC(=O)C1 Amb18200020 [0,1,0,1,0,0|1,0,0]=3 2232 B11R1.157 O=C(O)CC1CNCC(=O)N1 Amb25800398 [0,1,0,1,0,0|2,0,0]=4 2233 B11R1.157 O=C(O)CN1CCCC(=O)C1 Amb18200026 [0,1,0,1,0,0|2,0,0]=4 2234 B11R1.157 O=C(O)CN1CCNC(=O)C1 Amb2235553 [0,1,0,1,0,0|2,0,0]=4 2235 B11R1.157 O=C(O)CN1CCNC(=O)C1 Amb32668970 [0,1,0,1,0,0|2,0,0]=4 2236 B11R1.157 O=C(O)CN1CCOC(=O)C1 Amb1093951 [0,1,0,1,0,0|1,0,0]=3 2237 B11R1.157 O=C(O)CN1CCOC(=O)S1 Amb28124198 [0,1,0,1,0,0|2,0,0]=4 2238 B11R1.157 O=C(O)C[C@@H]1CCCC(=O)N1 Amb27397390 [0,1,0,1,0,0|2,0,0]=4 2239 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 Amb28289879 [0,1,0,1,0,0|1,0,0]=3 2240 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 Amb27983727 [0,1,0,1,0,0|2,0,0]=4 2241 B11R1.225 CC(CO)C1OC(=O)CC1C Amb27763559 [0,1,0,1,0,0|1,0,1]=4 2242 B11R1.225 CCC(=O)[C@H]1OC(=O)N[C@@H]1C Amb28250916 [0,1,0,1,0,0|2,0,0]=4 2243 B11R1.225 COC(=O)C1=CC(=O)CC1C Amb27867193 [0,1,0,1,0,0|1,0,1]=4 2244 B11R1.225 COC(=O)C1CC(=O)CC1C Amb27948667 [0,1,0,1,0,0|1,0,0]=3 2245 B11R1.225 COC(=O)C1CC(=O)CN1C Amb27199079 [0,1,0,1,0,0|2,0,0]=4 2246 B11R1.225 COC(=O)C1NC(=O)CC1F Amb27601967 [0,1,0,1,0,0|2,0,0]=4 2247 B11R1.225 COC(=O)C1NC(=O)CC1O Amb27176450 [0,1,0,1,0,0|2,0,0]=4 2248 B11R1.225 COC(=O)C1NC(=O)OC1C Amb27617364 [0,1,0,1,0,0|2,0,0]=4 2249 B11R1.225 COC(=O)C1OC(C)CC1C Amb28366985 [0,1,0,1,0,0|1,0,1]=4 2250 B11R1.225 COC(=O)N1CC(=O)CC1C Amb25341417 [0,1,0,1,0,0|2,0,0]=4 2251 B11R1.225 COC(=O)[C@@H]1CC(=O)CN1C Amb25893450 [0,1,0,1,0,0|2,0,0]=4 2252 B11R1.225 COC(=O)[C@@H]1NC(=O)C[C@@H]1C Amb27635775 [0,1,0,1,0,0|1,0,0]=3 2253 B11R1.225 COC(=O)[C@@H]1NC(=O)C[C@@H]1F Amb28435001 [0,1,0,1,0,0|2,0,0]=4 2254 B11R1.225 COC(=O)[C@H]1NC(=O)C[C@@H]1F Amb27197202 [0,1,0,1,0,0|2,0,0]=4 2255 B11R1.225 COC(=O)[C@H]1NC(=O)C[C@H]1C Amb27799766 [0,1,0,1,0,0|1,0,0]=3 2256 B11R1.225 COC(=O)[C@H]1NC(=O)C[C@H]1F Amb27452051 [0,1,0,1,0,0|2,0,0]=4 2257 B11R1.225 COC(=O)[C@H]1NC(=O)O[C@@H]1C Amb26425659 [0,1,0,1,0,0|2,0,0]=4 2258 B11R1.225 COC(=O)[C@H]1NC(=O)O[C@H]1C Amb28144756 [0,1,0,1,0,0|2,0,0]=4 2259 B11R1.225 C[C@H]1CC(=O)O[C@@H]1[C@H](C)CO Amb27219480 [0,1,0,1,0,0|1,0,1]=4 2260 B11R1.225 O=CC(O)C1OC(=O)CC1O Amb28253835 [0,1,0,1,0,0|1,0,1]=4 2261 B11R1.673 C=C1C(=O)OC(C)C1C(=O)O Amb28291590 [0,1,0,1,0,0|2,0,0]=4 2262 B11R1.673 C[C@@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)O Amb27472015 [0,1,0,1,0,0|2,0,0]=4 2263 B11R1.673 C[C@@H]1OC(=O)[C@H](N)[C@H]1C(=O)O Amb27444610 [0,1,0,1,0,0|2,0,0]=4 2264 B11R1.673 C[C@H]1OC(=O)N(C)[C@@H]1C(=O)O Amb27634869 [0,1,0,1,0,0|2,0,0]=4 2265 B11R1.849 COC(=O)C1CC1CC(=O)O Amb26081648 [0,1,0,1,0,0|0,0,0]=2 2266 B11R1.849 COC(=O)C1CC1NC(C)=O Amb27782147 [0,1,0,1,0,0|2,0,0]=4 2267 B11R1.849 COC(=O)[C@@H]1C[C@@H]1CS(=O)Cl Amb32721008 [0,1,0,1,0,0|2,0,0]=4 2268 B11R1.849 COC(=O)[C@@H]1C[C@@H]1CS(N)=O Amb32721009 [0,1,0,1,0,0|2,0,0]=4 2269 B11R1.849 COC(=O)[C@@H]1C[C@@H]1OC(C)=O Amb25383234 [0,1,0,1,0,0|2,0,0]=4 2270 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O Amb26660739 [0,1,0,1,0,0|0,0,0]=2 2271 B11R1.873 C=C1C(C(=O)O)C1C(=O)OC Amb27863431 [0,1,0,1,0,0|0,0,2]=4 2272 B11R1.873 COC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)O Amb28320477 [0,1,0,1,0,0|0,0,0]=2 2273 B11R1.873 COC(=O)[C@H]1[C@H](C)[C@H]1C(=O)O Amb25974979 [0,1,0,1,0,0|0,0,0]=2 2274 B11R1.892 COC(=O)C[C@@H]1C[C@H]1C(C)=O Amb28080099 [0,1,0,1,0,0|1,0,0]=3 2275 B11R1.892 COC(=O)C[C@H]1C[C@H]1C(C)=O Amb28080101 [0,1,0,1,0,0|1,0,0]=3 2276 B11R1.49 CCC1CC(=O)CC1C(=O)O Amb27657710 [0,1,0,1,0,0|1,0,0]=3 2277 B11R1.49 CCC1NC(=O)CC1C(=O)O Amb18200025 [0,1,0,1,0,0|2,0,0]=4 2278 B11R1.49 CCC1NC(=O)NC1C(=O)O Amb28385625 [0,1,0,1,0,0|2,0,0]=4 2279 B11R1.49 CCN1CC(=O)CC1C(=O)O Amb25722959 [0,1,0,1,0,0|2,0,0]=4 2280 B11R1.49 CC[C@@H]1CC(=O)N[C@H]1C(=O)O Amb25179312 [0,1,0,1,0,0|1,0,0]=3 2281 B11R1.49 CC[C@@H]1NC(=O)C[C@H]1C(=O)O Amb27632492 [0,1,0,1,0,0|2,0,0]=4 2282 B11R1.49 CC[C@H]1CC(=O)C[C@H]1C(=O)O Amb28144970 [0,1,0,1,0,0|1,0,0]=3 2283 B11R1.49 CC[C@H]1CC(=O)N[C@@H]1C(=O)O Amb27421994 [0,1,0,1,0,0|1,0,0]=3 2284 B11R1.49 CO[C@@H]1CC(=O)O[C@H]1[C@@H](C)O Amb27432049 [0,1,0,1,0,0|1,0,1]=4 2285 B11R1.49 CO[C@H]1CC(=O)O[C@H]1[C@H](C)O Amb27491453 [0,1,0,1,0,0|1,0,1]=4 2286 B11R1.61 CC=C1[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27472462 [0,1,0,1,0,0|0,0,1]=3 2287 B11R1.933 CC(=O)NC1(CC(=O)O)CC1 Amb25201513 [0,1,0,1,0,0|2,0,0]=4 2288 B11R1.933 CS(=O)CC1(CC(=O)O)CC1 Amb27986450 [0,1,0,1,0,0|2,0,0]=4 2289 B11R1.933 NC(=O)NC1(CC(=O)O)CC1 Amb27475056 [0,1,0,1,0,0|2,0,0]=4 2290 B11R1.933 O=C(O)CC1(CC(=O)O)CC1 Amb26990513 [0,1,0,1,0,0|0,0,0]=2 2291 B11R1.732 C=C(C)C1C(C(=O)O)C1(C)C Amb33199506 [0,1,0,1,0,0|2,0,0]=4 2292 B11R1.732 C=C(C)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb33226188 [0,1,0,1,0,0|2,0,0]=4 2293 B11R1.732 CC(=O)C1C(C(=O)Cl)C1(C)C Amb25798467 [0,1,0,1,0,0|2,0,0]=4 2294 B11R1.732 CC(=O)C1C(C(=O)O)C1(C)C Amb27232878 [0,1,0,1,0,0|1,0,0]=3 2295 B11R1.732 CC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb27229293 [0,1,0,1,0,0|1,0,0]=3 2296 B11R1.732 CC(=O)[C@H]1[C@H](C(=O)O)C1(C)C Amb27776755 [0,1,0,1,0,0|1,0,0]=3 2297 B11R1.732 CC1(C)C(C(=O)O)C1C(=O)O Amb25102507 [0,1,0,1,0,0|0,0,0]=2 2298 B11R1.732 CC1(C)C(C(=O)O)C1C(O)O Amb28142249 [0,1,0,1,0,0|0,0,2]=4 2299 B11R1.732 CC1(C)C(C(N)=O)C1C(=O)O Amb24048905 [0,1,0,1,0,0|1,0,0]=3 2300 B11R1.732 CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)O Amb27251977 [0,1,0,1,0,0|0,0,0]=2 2301 B11R1.732 CC1(C)[C@@H](C(=O)O)[C@H]1C(N)=O Amb27764479 [0,1,0,1,0,0|1,0,0]=3 2302 B11R1.732 CC1(C)[C@H](C(=O)O)[C@H]1C(=O)O Amb27467656 [0,1,0,1,0,0|0,0,0]=2 2303 B11R1.732 O=C(O)C1C(C(=O)O)C1(Cl)Cl Amb1350468 [0,1,0,1,0,0|1,0,0]=3 2304 B11R1.732 O=C(O)C1C(C(=O)O)C1(F)F Amb27793088 [0,1,0,1,0,0|1,0,0]=3 2305 B11R2.66 O=C1CC2C(=O)OCC2O1 Amb27213119 [0,0,0,2,0,0|2,0,0]=4 2306 B11R2.66 O=C1CC2CCC(=O)C2O1 Amb28062982 [0,0,0,2,0,0|1,0,0]=3 2307 B11R2.66 O=C1CC2CCC(O)C2O1 Amb27972610 [0,0,0,2,0,0|1,0,1]=4 2308 B11R2.66 O=C1CC2CNC(=O)C2N1 Amb27976247 [0,0,0,2,0,0|2,0,0]=4 2309 B11R2.66 O=C1C[C@@H]2C(=O)OC[C@@H]2C1 Amb27631333 [0,0,0,2,0,0|1,0,0]=3 2310 B11R2.66 O=C1C[C@@H]2CC[C@H](O)[C@@H]2O1 Amb27632017 [0,0,0,2,0,0|1,0,1]=4 2311 B11R2.66 O=C1C[C@H]2CC[C@@H](O)[C@H]2O1 Amb27456630 [0,0,0,2,0,0|1,0,1]=4 2312 B11R2.66 O=C1C[C@H]2CC[C@H](O)[C@H]2O1 Amb27790348 [0,0,0,2,0,0|1,0,1]=4 2313 B11R2.66 O=C1C[C@H]2COC(=O)N2C1 Amb28050525 [0,0,0,2,0,0|2,0,0]=4 2314 B11R2.66 O=C1C[C@H]2CO[C@H](O)[C@H]2O1 Amb27208045 [0,0,0,2,0,0|0,0,2]=4 2315 B11R2.66 O=C1OC2CNC(=O)C2O1 Amb32831017 [0,0,0,2,0,0|2,0,0]=4 2316 B11R2.66 O=C1OC[C@H]2C[C@@H](O)C[C@@H]12 Amb27970854 [0,0,0,2,0,0|1,0,1]=4 2317 B11R2.139 C12CC(=O)CC1CC(=O)C2 Amb17779325 [0,0,0,2,0,0|2,0,0]=4 2318 B11R2.139 O=C1CC2CC(=O)CC2C1 Amb21520316 [0,0,0,2,0,0|2,0,0]=4 2319 B11R2.139 O=C1CC2CC(O)CC2O1 Amb27646561 [0,0,0,2,0,0|1,0,1]=4 2320 B11R2.139 O=C1C[C@@H]2C[C@H](O)C[C@@H]2O1 Amb28062968 [0,0,0,2,0,0|1,0,1]=4 2321 B11R2.139 O=C1C[C@@H]2C[C@H](O)C[C@H]2O1 Amb2684309 [0,0,0,2,0,0|1,0,1]=4 2322 B11R2.139 O=C1C[C@H]2C[C@@H](O)C[C@H]2O1 Amb22801805 [0,0,0,2,0,0|1,0,1]=4 2323 B11R2.408 O=C(O)[C@@H]1[C@H]2C[C@@H]1[C@H](O)C2 Amb28349337 [0,0,0,2,0,0|1,0,1]=4 2324 B11R2.530 O=C(O)C1C2CCC(=O)C21 Amb25263963 [0,0,0,2,0,0|1,0,0]=3 2325 B11R2.530 O=C(O)[C@@H]1[C@H]2C(=O)CC[C@@H]12 Amb25970058 [0,0,0,2,0,0|1,0,0]=3 2326 B11R2.530 O=C(O)[C@@H]1[C@H]2CCC(=O)[C@H]21 Amb25174904 [0,0,0,2,0,0|1,0,0]=3 2327 B11R2.530 O=C(O)[C@@H]1[C@H]2COC(=O)[C@H]21 Amb27815456 [0,0,0,2,0,0|0,0,0]=2 2328 B11R2.411 O=C1CC2(C(=O)O)CC2N1 Amb27753264 [0,0,0,2,0,0|2,0,0]=4 2329 B11R2.411 O=C1CC2CC2(C(=O)O)N1 Amb24480704 [0,0,0,2,0,0|1,0,0]=3 2330 B11R2.411 O=C1C[C@@H]2C[C@]2(C(=O)Cl)N1 Amb28194285 [0,0,0,2,0,0|2,0,0]=4 2331 B11R2.411 O=C1C[C@@H]2C[C@]2(C(=O)O)N1 Amb27784689 [0,0,0,2,0,0|1,0,0]=3 2332 B11R2.612 O=C1N[C@@H](C(=O)O)[C@H]2C[C@@H]12 Amb35752797 [0,0,0,2,0,0|1,0,0]=3 2333 B11R2.767 C[C@@H]1[C@@H]2C(=O)C=CC(=O)[C@@H]21 Amb28201213 [0,0,0,2,0,0|2,0,0]=4 2334 B11R2.706 O=C(O)C1CC12CC(O)C2 Amb35746145 [0,0,0,2,0,0|1,0,1]=4 2335 B7R0.5 C#CCC(C)C(=O)O Amb18633959 [1,0,0,0,1,0|1,0,1]=4 2336 B7R0.5 C#CC[C@H](C)C(=O)O Amb10844036 [1,0,0,0,1,0|1,0,1]=4 2337 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [1,0,0,0,1,0|1,0,0]=3 2338 B7R0.5 C=CCC(C)C(C)=O Amb19373098 [1,0,0,0,1,0|2,0,0]=4 2339 B7R0.5 C=CCC(C)C(N)=O Amb27788519 [1,0,0,0,1,0|2,0,0]=4 2340 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [1,0,0,0,1,0|2,0,0]=4 2341 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [1,0,0,0,1,0|2,0,0]=4 2342 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [1,0,0,0,1,0|2,0,0]=4 2343 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [1,0,0,0,1,0|2,0,0]=4 2344 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [1,0,0,0,1,0|2,0,0]=4 2345 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [1,0,0,0,1,0|2,0,0]=4 2346 B7R0.5 C=CC[C@H](C)C(C)=O Amb26641913 [1,0,0,0,1,0|2,0,0]=4 2347 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [1,0,0,0,1,0|2,0,0]=4 2348 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [1,0,0,0,1,0|2,0,0]=4 2349 B7R0.5 CC(=O)C(C)CCO Amb13881368 [1,0,0,0,1,0|1,0,1]=4 2350 B7R0.5 CC(=O)C(C)NC=O Amb23442778 [1,0,0,0,1,0|2,0,0]=4 2351 B7R0.5 CC(=O)C(C)OC=O Amb26492625 [1,0,0,0,1,0|2,0,0]=4 2352 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [1,0,0,0,1,0|2,0,0]=4 2353 B7R0.5 CC(=O)N(C)CC=O Amb17080668 [1,0,0,0,1,0|2,0,0]=4 2354 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [1,0,0,0,1,0|2,0,0]=4 2355 B7R0.5 CC(CC#N)C(=O)O Amb17334056 [1,0,0,0,1,0|1,0,1]=4 2356 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [1,0,0,0,1,0|0,0,0]=2 2357 B7R0.5 CC(CCBr)C(=O)O Amb27409152 [1,0,0,0,1,0|1,0,1]=4 2358 B7R0.5 CC(CCF)C(=O)O Amb24678386 [1,0,0,0,1,0|1,0,1]=4 2359 B7R0.5 CC(CCN)C(=O)O Amb20667970 [1,0,0,0,1,0|1,0,1]=4 2360 B7R0.5 CC(CCN)C(=O)O Amb538221 [1,0,0,0,1,0|1,0,1]=4 2361 B7R0.5 CC(CCO)C(=O)O Amb18641949 [1,0,0,0,1,0|0,0,1]=3 2362 B7R0.5 CC(CCO)C(=O)[O-] Amb33330478 [1,0,0,0,1,0|0,0,2]=4 2363 B7R0.5 CC(CCO)C(N)=O Amb28280962 [1,0,0,0,1,0|1,0,1]=4 2364 B7R0.5 CC(CNO)C(=O)O Amb28315956 [1,0,0,0,1,0|1,0,0]=3 2365 B7R0.5 CC(CSS)C(=O)O Amb27437183 [1,0,0,0,1,0|1,1,0]=4 2366 B7R0.5 CC(N=C=O)C(=O)O Amb33471295 [1,0,0,0,1,0|1,0,1]=4 2367 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [1,0,0,0,1,0|1,0,0]=3 2368 B7R0.5 CC(NCO)C(=O)O Amb27468253 [1,0,0,0,1,0|1,0,1]=4 2369 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [1,0,0,0,1,0|1,0,0]=3 2370 B7R0.5 CC(\N=N\O)C(=O)O Amb28251041 [1,0,0,0,1,0|2,0,0]=4 2371 B7R0.5 CCCC(C)C(=O)O Amb3938958 [1,0,0,0,1,0|1,0,1]=4 2372 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [1,0,0,0,1,0|1,0,1]=4 2373 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [1,0,0,0,1,0|1,0,1]=4 2374 B7R0.5 CNCC(C)C(=O)O Amb13952364 [1,0,0,0,1,0|2,0,0]=4 2375 B7R0.5 CNCC(C)C(=O)O Amb9400281 [1,0,0,0,1,0|2,0,0]=4 2376 B7R0.5 COCC(C)C(=O)O Amb33545090 [1,0,0,0,1,0|2,0,0]=4 2377 B7R0.5 COC[C@@H](C)C(=O)O Amb26599229 [1,0,0,0,1,0|2,0,0]=4 2378 B7R0.5 COC[C@H](C)C(=O)O Amb10844266 [1,0,0,0,1,0|2,0,0]=4 2379 B7R0.5 CSCC(C)C(=O)O Amb18967825 [1,0,0,0,1,0|2,0,0]=4 2380 B7R0.5 CSC[C@@H](C)C(=O)O Amb26047434 [1,0,0,0,1,0|2,0,0]=4 2381 B7R0.5 C[C@@H](CCF)C(=O)O Amb33744644 [1,0,0,0,1,0|1,0,1]=4 2382 B7R0.5 C[C@@H](CCN)C(=O)O Amb10844043 [1,0,0,0,1,0|1,0,1]=4 2383 B7R0.5 C[C@@H](N=C=O)C(=O)O Amb33189209 [1,0,0,0,1,0|1,0,1]=4 2384 B7R0.5 C[C@@H](NC=O)C(N)=O Amb27837549 [1,0,0,0,1,0|2,0,0]=4 2385 B7R0.5 C[C@H](CCF)C(=O)O Amb33738115 [1,0,0,0,1,0|1,0,1]=4 2386 B7R0.5 C[C@H](N=C=O)C(=O)O Amb33471333 [1,0,0,0,1,0|1,0,1]=4 2387 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [1,0,0,0,1,0|1,0,0]=3 2388 B7R0.5 C[C@H](NCO)C(=O)O Amb24401217 [1,0,0,0,1,0|1,0,1]=4 2389 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [1,0,0,0,1,0|0,0,2]=4 2390 B7R0.5 NC(CCO)C(=O)O Amb8514287 [1,0,0,0,1,0|1,0,1]=4 2391 B7R0.5 NC(CNO)C(=O)O Amb4092732 [1,0,0,0,1,0|2,0,0]=4 2392 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [1,0,0,0,1,0|1,0,1]=4 2393 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [1,0,0,0,1,0|1,0,1]=4 2394 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [1,0,0,0,1,0|1,0,0]=3 2395 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [1,0,0,0,1,0|1,0,1]=4 2396 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [1,0,0,0,1,0|2,0,0]=4 2397 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [1,0,0,0,1,0|1,0,1]=4 2398 B7R0.5 O=C(O)C(O)CCO Amb24689942 [1,0,0,0,1,0|1,0,1]=4 2399 B7R0.5 O=C(O)C(O)CNO Amb27405525 [1,0,0,0,1,0|2,0,0]=4 2400 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [1,0,0,0,1,0|1,0,1]=4 2401 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [1,0,0,0,1,0|2,0,0]=4 2402 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [1,0,0,0,1,0|2,0,0]=4 2403 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [1,0,0,0,1,0|2,0,0]=4 2404 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [1,0,0,0,1,0|2,0,0]=4 2405 B7R0.6 CC(=O)CCC(=O)O Amb534169 [1,0,0,0,1,0|1,0,0]=3 2406 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [1,0,0,0,1,0|2,0,0]=4 2407 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [1,0,0,0,1,0|2,0,0]=4 2408 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [1,0,0,0,1,0|1,1,0]=4 2409 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [1,0,0,0,1,0|2,0,0]=4 2410 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [1,0,0,0,1,0|2,0,0]=4 2411 B7R0.6 CC(O)CCC(=O)O Amb18294804 [1,0,0,0,1,0|1,0,1]=4 2412 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [1,0,0,0,1,0|2,0,0]=4 2413 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [1,0,0,0,1,0|1,0,1]=4 2414 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [1,0,0,0,1,0|2,0,0]=4 2415 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [1,0,0,0,1,0|1,0,0]=3 2416 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [1,0,0,0,1,0|2,0,0]=4 2417 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [1,0,0,0,1,0|2,0,0]=4 2418 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [1,0,0,0,1,0|1,1,0]=4 2419 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [1,0,0,0,1,0|2,0,0]=4 2420 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [1,0,0,0,1,0|0,0,2]=4 2421 B7R0.6 O=C(O)CCB(O)O Amb24640288 [1,0,0,0,1,0|1,0,1]=4 2422 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [1,0,0,0,1,0|0,0,0]=2 2423 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [1,0,0,0,1,0|0,0,0]=2 2424 B7R0.6 O=C(O)CCP(O)O Amb27424479 [1,0,0,0,1,0|1,0,1]=4 2425 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [1,0,0,0,1,0|1,0,0]=3 2426 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [1,0,0,0,1,0|1,0,1]=4 2427 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [1,0,0,0,1,0|1,0,1]=4 2428 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [1,0,0,0,1,0|1,1,0]=4 2429 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [1,0,0,0,1,0|2,0,0]=4 2430 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [1,0,0,0,1,0|0,0,2]=4 2431 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [1,0,0,0,1,0|0,0,2]=4 2432 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [1,0,0,0,1,0|0,0,2]=4 2433 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [1,0,0,0,1,0|0,0,2]=4 2434 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [1,0,0,0,1,0|0,0,2]=4 2435 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [1,0,0,0,1,0|2,0,0]=4 2436 B7R0.16 C=C(C)C(C)C(=O)O Amb18641781 [0,0,0,0,2,0|2,0,0]=4 2437 B7R0.16 CC(=O)C(C)C(=O)Cl Amb27971652 [0,0,0,0,2,0|2,0,0]=4 2438 B7R0.16 CC(=O)C(C)C(C)=O Amb1152249 [0,0,0,0,2,0|2,0,0]=4 2439 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,0,0,0,2,0|2,0,0]=4 2440 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,0,0,0,2,0|0,0,0]=2 2441 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,0,0,0,2,0|1,0,0]=3 2442 B7R0.16 CC(C(N)=O)C(N)=O Amb4034611 [0,0,0,0,2,0|2,0,0]=4 2443 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [0,0,0,0,2,0|1,0,1]=4 2444 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [0,0,0,0,2,0|1,0,1]=4 2445 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [0,0,0,0,2,0|1,0,1]=4 2446 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,0,0,0,2,0|2,0,0]=4 2447 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,0,0,0,2,0|1,0,0]=3 2448 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,0,0,0,2,0|2,0,0]=4 2449 B7R0.16 O=C(O)C(=O)C(=O)O Amb18641943 [0,0,0,0,2,0|1,0,1]=4 2450 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,0,0,0,2,0|1,0,0]=3 2451 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,0,0,0,2,0|1,0,0]=3 2452 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,0,0,0,2,0|1,0,0]=3 2453 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,0,0,0,2,0|1,0,0]=3 2454 B9R0.48 C=CCC(C)CCC(=O)O Amb27605823 [1,0,0,0,0,1|1,0,0]=3 2455 B9R0.48 CC(=O)CCC(C)CC=O Amb28199726 [1,0,0,0,0,1|1,0,0]=3 2456 B9R0.48 CC(=O)CC[C@@H](C)CCO Amb27944575 [1,0,0,0,0,1|1,0,1]=4 2457 B9R0.48 CC(=O)CC[C@H](C)CC=O Amb27255456 [1,0,0,0,0,1|1,0,0]=3 2458 B9R0.48 CC(=O)CSC(C)CCO Amb27875971 [1,0,0,0,0,1|1,0,1]=4 2459 B9R0.48 CC(=O)NCC(C)CCO Amb28364911 [1,0,0,0,0,1|1,0,1]=4 2460 B9R0.48 CC(=O)OCC(C)CC=O Amb18644137 [1,0,0,0,0,1|1,0,0]=3 2461 B9R0.48 CC(=O)OC[C@H](C)CCO Amb27753095 [1,0,0,0,0,1|1,0,1]=4 2462 B9R0.48 CC(C)=CCC(C)CC=O Amb18643637 [1,0,0,0,0,1|2,0,0]=4 2463 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [1,0,0,0,0,1|0,0,0]=2 2464 B9R0.48 CC(CCC(=O)O)N=C=O Amb33471389 [1,0,0,0,0,1|1,0,1]=4 2465 B9R0.48 CC(CCCl)CCC(=O)O Amb27834348 [1,0,0,0,0,1|1,0,1]=4 2466 B9R0.48 CC(CCN)CCC(=O)O Amb18124749 [1,0,0,0,0,1|1,0,1]=4 2467 B9R0.48 CC(CCN)SCC(=O)O Amb27244497 [1,0,0,0,0,1|1,0,1]=4 2468 B9R0.48 CC(CCO)NCC(=O)O Amb27174877 [1,0,0,0,0,1|0,0,1]=3 2469 B9R0.48 CC(CCO)NCC(N)=O Amb27857723 [1,0,0,0,0,1|1,0,1]=4 2470 B9R0.48 CC(CCS)CCC(=O)O Amb28291582 [1,0,0,0,0,1|0,1,1]=4 2471 B9R0.48 CC(\C=C\C(=O)O)CCO Amb27646330 [1,0,0,0,0,1|0,0,2]=4 2472 B9R0.48 CCCC(C)CCC(=O)O Amb28193257 [1,0,0,0,0,1|1,0,1]=4 2473 B9R0.48 CCCC(C)OCC(=O)O Amb18124782 [1,0,0,0,0,1|1,0,1]=4 2474 B9R0.48 CCC[C@H](C)CCC(=O)O Amb24446759 [1,0,0,0,0,1|1,0,1]=4 2475 B9R0.48 CN(CC=O)CCC(N)=O Amb27452718 [1,0,0,0,0,1|2,0,0]=4 2476 B9R0.48 CN(CCO)CCC(=O)O Amb5774461 [1,0,0,0,0,1|1,0,1]=4 2477 B9R0.48 COCC(C)NCC(=O)O Amb33549979 [1,0,0,0,0,1|2,0,0]=4 2478 B9R0.48 COCC(C)NCC(=O)O Amb7766445 [1,0,0,0,0,1|2,0,0]=4 2479 B9R0.48 COCC(C)OCC(=O)O Amb27807862 [1,0,0,0,0,1|2,0,0]=4 2480 B9R0.48 C[C@@H](CC#N)CCC(=O)O Amb27950078 [1,0,0,0,0,1|1,0,1]=4 2481 B9R0.48 C[C@@H](CCO)CCC(=O)O Amb28250798 [1,0,0,0,0,1|0,0,1]=3 2482 B9R0.48 C[C@H](\C=C\C(=O)O)CCO Amb28050109 [1,0,0,0,0,1|0,0,2]=4 2483 B9R0.48 O=C(O)CCC(O)CCO Amb28121295 [1,0,0,0,0,1|1,0,1]=4 2484 B9R0.48 O=CCC(=O)CCC(=O)O Amb18644074 [1,0,0,0,0,1|1,0,1]=4 2485 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [1,0,0,0,0,1|2,0,0]=4 2486 B9R0.55 C=C(Cl)CNCCC(=O)O Amb9326413 [1,0,0,0,0,1|2,0,0]=4 2487 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [1,0,0,0,0,1|2,0,0]=4 2488 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [1,0,0,0,0,1|1,0,0]=3 2489 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [1,0,0,0,0,1|2,0,0]=4 2490 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [1,0,0,0,0,1|2,0,0]=4 2491 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [1,0,0,0,0,1|2,0,0]=4 2492 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [1,0,0,0,0,1|1,0,0]=3 2493 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [1,0,0,0,0,1|1,0,0]=3 2494 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [1,0,0,0,0,1|1,0,0]=3 2495 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [1,0,0,0,0,1|1,0,1]=4 2496 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [1,0,0,0,0,1|1,0,0]=3 2497 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [1,0,0,0,0,1|2,0,0]=4 2498 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [1,0,0,0,0,1|1,0,0]=3 2499 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [1,0,0,0,0,1|1,0,0]=3 2500 B9R0.55 CC(O)CSCCC(=O)O Amb18792572 [1,0,0,0,0,1|1,0,1]=4 2501 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [1,0,0,0,0,1|2,0,0]=4 2502 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [1,0,0,0,0,1|2,0,0]=4 2503 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [1,0,0,0,0,1|2,0,0]=4 2504 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [1,0,0,0,0,1|2,0,0]=4 2505 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [1,0,0,0,0,1|1,0,0]=3 2506 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [1,0,0,0,0,1|2,0,0]=4 2507 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [1,0,0,0,0,1|2,0,0]=4 2508 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [1,0,0,0,0,1|1,0,0]=3 2509 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [1,0,0,0,0,1|1,0,0]=3 2510 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [1,0,0,0,0,1|2,0,0]=4 2511 B9R0.55 NC(=S)NCCCC(=O)O Amb27649643 [1,0,0,0,0,1|1,1,0]=4 2512 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [1,0,0,0,0,1|2,0,0]=4 2513 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [1,0,0,0,0,1|0,0,1]=3 2514 B9R0.55 O=C(O)CCCC=C(F)F Amb27831187 [1,0,0,0,0,1|2,0,0]=4 2515 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [1,0,0,0,0,1|1,0,0]=3 2516 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [1,0,0,0,0,1|0,0,0]=2 2517 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [1,0,0,0,0,1|0,0,0]=2 2518 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [1,0,0,0,0,1|0,0,0]=2 2519 B9R0.55 O=C(O)CCCCC(O)O Amb28143854 [1,0,0,0,0,1|0,0,2]=4 2520 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [1,0,0,0,0,1|0,0,0]=2 2521 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [1,0,0,0,0,1|1,0,0]=3 2522 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [1,0,0,0,0,1|1,0,0]=3 2523 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [1,0,0,0,0,1|0,0,1]=3 2524 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [1,0,0,0,0,1|1,0,0]=3 2525 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [1,0,0,0,0,1|1,0,0]=3 2526 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [1,0,0,0,0,1|0,0,1]=3 2527 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [1,0,0,0,0,1|0,0,2]=4 2528 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [1,0,0,0,0,1|0,0,2]=4 2529 B11R0.6 CC(C)=CCCC(C)CC(=O)O Amb2720520 [0,0,0,0,0,2|2,0,0]=4 2530 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb16187108 [0,0,0,0,0,2|1,0,0]=3 2531 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb24117217 [0,0,0,0,0,2|1,0,0]=3 2532 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb32664379 [0,0,0,0,0,2|1,0,0]=3 2533 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb33473618 [0,0,0,0,0,2|1,0,0]=3 2534 B11R0.85 O=C(O)CCC(=O)CCC(=O)O Amb6296610 [0,0,0,0,0,2|1,0,1]=4 2535 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Amb17940408 [0,0,0,0,0,2|1,0,1]=4 2536 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Amb4086179 [0,0,0,0,0,2|2,0,0]=4 2537 B11R0.85 O=C(O)CSC(=S)SCC(=O)O Amb2613075 [0,0,0,0,0,2|1,0,1]=4