0 B8R1.21 CC1CC1C(C)(C)O Amb26526960 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.21 CC1CC1S(=O)(=O)Cl Amb33058069 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.21 CC1CC1S(=O)(=O)F Amb33263178 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.21 CC1CC1S(N)(=O)=O Amb29850882 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.21 CC1OC1C(F)(F)F Amb2690789 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.21 CC1OC1P(=O)([O-])[O-] Amb9813768 [0,0,0,0,0,0|0,0,2]=2 6 B8R1.21 CC1OC1P(=O)([O-])[O-] Amb9825521 [0,0,0,0,0,0|0,0,2]=2 7 B8R1.21 C[C@@H]1C[C@H]1S(=O)(=O)Cl Amb35719515 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.21 C[C@@H]1C[C@H]1S(N)(=O)=O Amb29849438 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] Amb31291685 [0,0,0,0,0,0|0,0,2]=2 10 B8R1.21 C[C@@H]1O[C@H]1P(=O)([O-])[O-] Amb34915031 [0,0,0,0,0,0|0,0,2]=2 11 B8R1.21 C[C@H]1O[C@@H]1P(=O)([O-])[O-] Amb34916250 [0,0,0,0,0,0|0,0,2]=2 12 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O Amb8385971 [0,0,0,0,0,0|0,0,0]=0 13 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] Amb546044 [0,0,0,0,0,0|0,0,2]=2 14 B8R1.21 O=P(O)(O)C1OC1O Amb27266153 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.21 O=P(O)(O)[C@H]1O[C@H]1O Amb27194681 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.12 CC(=O)C1CC1C Amb25720437 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.12 CC(=O)C1OC1C Amb25920285 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.12 CC(=O)[C@@H]1C[C@H]1C Amb27262976 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.12 CC(=O)[C@@H]1OC1C Amb27165592 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.12 CC(=O)[C@H]1C[C@@H]1C Amb27493483 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.12 CC(=O)[C@H]1O[C@H]1C Amb28052513 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.12 CC(=O)[C@H]1S[C@@H]1C Amb27231676 [1,0,0,0,0,0|2,1,0]=4 23 B7R1.12 CC(O)[C@@H]1O[C@H]1C Amb27660940 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.12 CC(O)[C@H]1C[C@@H]1C Amb27443623 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.12 CC1=CC1C(=O)O Amb27157805 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.12 CC1CC1C(=O)Cl Amb33528387 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.12 CC1CC1C(=O)O Amb9703126 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.12 CC1CC1C(N)=O Amb8858378 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.12 CC1CC1[C@@H](C)O Amb24683424 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.12 CC1CC1[C@H](C)O Amb25271040 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.12 CC1OC1C(=O)O Amb17593088 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.12 CC1SC1C(=O)O Amb27195238 [1,0,0,0,0,0|1,1,0]=3 33 B7R1.12 CC1S[C@H]1C(=O)O Amb27399596 [1,0,0,0,0,0|1,1,0]=3 34 B7R1.12 C[C@@H]1C[C@@H]1B(O)O Amb24329037 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O Amb25851678 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Amb22735875 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.12 C[C@@H]1C[C@H]1C(N)=O Amb27201134 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.12 C[C@@H]1N[C@H]1C(=O)O Amb24120621 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.12 C[C@@H]1O[C@@H]1C(=O)O Amb28347451 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.12 C[C@@H]1O[C@H]1C(=O)O Amb25738149 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.12 C[C@H](O)[C@@H]1C[C@H]1C Amb28065317 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.12 C[C@H](O)[C@@H]1O[C@H]1C Amb28345454 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Amb22735974 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.12 C[C@H]1C[C@@H]1C(N)=O Amb27213992 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.12 C[C@H]1C[C@H]1B(O)O Amb24515113 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.12 C[C@H]1O[C@@H]1C(=O)O Amb27420167 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.12 C[C@H]1O[C@H]1C(=O)O Amb27237050 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.12 NC1CC1C(=O)O Amb7762823 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.12 N[C@@H]1C[C@@H]1C(=O)O Amb25708637 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.12 N[C@H]1C[C@H]1C(=O)O Amb27630656 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.12 O=C(O)C1CC1Br Amb27760446 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.12 O=C(O)C1CC1Cl Amb28289730 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.12 O=C(O)C1CC1F Amb22490547 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.12 O=C(O)C1CC1I Amb26047069 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.12 O=C(O)C1CC1S Amb20246988 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.12 O=C(O)[C@@H]1CC1I Amb27616342 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br Amb27232903 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb22737600 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb33716967 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I Amb22756600 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br Amb24570997 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.12 O=C(O)[C@@H]1C[C@H]1Cl Amb28252777 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.12 O=C(O)[C@@H]1C[C@H]1F Amb22737604 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.12 O=C(O)[C@@H]1C[C@H]1I Amb26636211 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.12 O=C(O)[C@H]1C[C@@H]1Cl Amb27655606 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.12 O=C(O)[C@H]1C[C@@H]1F Amb22736113 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.12 O=C(O)[C@H]1C[C@@H]1I Amb27968689 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.12 O=C(O)[C@H]1C[C@H]1F Amb22738580 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.12 O=C(O)[C@H]1C[C@H]1I Amb22736654 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.12 OB(O)C1CC1Br Amb24314265 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.26 CC(C)(O)C1CO1 Amb24504945 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.26 O=S(=O)(O)C1CC1 Amb27778499 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.65 CC1CC1(N)P(=O)(O)O Amb27185735 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.142 CC1(C)OC1S(C)(=O)=O Amb23585100 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.156 CC1OC1C(C)(C)CO Amb28319741 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.156 COP(=O)(O)C1OC1C Amb28070968 [0,1,0,0,0,0|0,0,0]=1 79 B9R1.156 COP(=O)(O)[C@H]1O[C@@H]1C Amb27421989 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.8 CCCCP(=O)(Cl)Cl Amb8515452 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.8 CCCCP(=O)(O)O Amb22053921 [0,0,1,0,0,0|1,0,0]=2 82 B7R0.8 CCCCS(=O)(=O)O Amb10844727 [0,0,1,0,0,0|2,0,1]=4 83 B7R0.8 CCCC[Sn](O)(O)Cl Amb19894194 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.8 CCCOP(=O)(O)O Amb27789994 [0,0,1,0,0,0|2,0,0]=3 85 B7R0.8 CCCOP(C)(=O)O Amb24553958 [0,0,1,0,0,0|3,0,0]=4 86 B7R0.8 CCOCC(C)(C)O Amb17940394 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.8 CCOCP(=O)(Cl)Cl Amb26515772 [0,0,1,0,0,0|2,0,0]=3 88 B7R0.8 CCOCS(=O)(=O)Cl Amb32715200 [0,0,1,0,0,0|2,0,1]=4 89 B7R0.8 CCOCS(N)(=O)=O Amb32715343 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.8 CC\C=C\P(=O)(O)O Amb22388769 [0,0,1,0,0,0|1,0,1]=3 91 B7R0.8 CNCCP(=O)(O)O Amb27751957 [0,0,1,0,0,0|2,0,0]=3 92 B7R0.8 CP(=O)(O)CCCN Amb634789 [0,0,1,0,0,0|3,0,0]=4 93 B7R0.8 NCCCP(=O)(O)O Amb2714831 [0,0,1,0,0,0|2,0,0]=3 94 B7R0.8 NCCOP(=O)(O)O Amb3941645 [0,0,1,0,0,0|3,0,0]=4 95 B7R0.8 O=P(O)(O)CCCCl Amb22388825 [0,0,1,0,0,0|2,0,0]=3 96 B7R0.8 O=P(O)(O)CCCO Amb28207371 [0,0,1,0,0,0|2,0,0]=3 97 B7R0.8 O=P(O)(O)OCCO Amb26068184 [0,0,1,0,0,0|3,0,0]=4 98 B7R0.9 CC(C)CP(C)(=O)Cl Amb27882661 [0,0,1,0,0,0|3,0,0]=4 99 B7R0.9 CC(C)CS(=O)(=O)O Amb28349282 [0,0,1,0,0,0|2,0,1]=4 100 B7R0.9 CC(C)OP(=O)(O)O Amb22493772 [0,0,1,0,0,0|2,0,0]=3 101 B7R0.9 CC(C)OP(C)(=O)O Amb10842159 [0,0,1,0,0,0|3,0,0]=4 102 B7R0.9 CC(N)CP(=O)(O)O Amb27592463 [0,0,1,0,0,0|1,0,0]=2 103 B7R0.9 CC(O)CC(C)(C)O Amb8386003 [0,0,1,0,0,0|3,0,0]=4 104 B7R0.9 CC(O)CS(=O)(=O)Cl Amb25032356 [0,0,1,0,0,0|2,0,1]=4 105 B7R0.9 CC(O)CS(=O)(=O)F Amb33098549 [0,0,1,0,0,0|2,0,1]=4 106 B7R0.9 CC(O)CS(=O)(=O)O Amb17593541 [0,0,1,0,0,0|1,0,1]=3 107 B7R0.9 CC(O)CS(C)(=O)=O Amb21988449 [0,0,1,0,0,0|2,0,1]=4 108 B7R0.9 CC(O)CS(N)(=O)=O Amb27409415 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.9 CP(=O)(O)CC(=O)O Amb3371772 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.9 C[C@@H](O)CC(C)(C)O Amb10606102 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.9 C[C@@H](O)CS(=O)(=O)[O-] Amb27768826 [0,0,1,0,0,0|1,0,2]=4 112 B7R0.9 C[C@@H](O)CS(C)(=O)=O Amb33055943 [0,0,1,0,0,0|2,0,1]=4 113 B7R0.9 C[C@H](N)CP(=O)(O)O Amb27647907 [0,0,1,0,0,0|1,0,0]=2 114 B7R0.9 C[C@H](N)CS(=O)(=O)O Amb25760668 [0,0,1,0,0,0|2,0,1]=4 115 B7R0.9 C[C@H](O)CC(C)(C)O Amb20669803 [0,0,1,0,0,0|3,0,0]=4 116 B7R0.9 C[C@H](O)CS(C)(=O)=O Amb33055944 [0,0,1,0,0,0|2,0,1]=4 117 B7R0.9 NC(O)CS(=O)(=O)O Amb27882330 [0,0,1,0,0,0|2,0,1]=4 118 B7R0.9 O=C(O)CP(=O)(O)O Amb4489433 [0,0,1,0,0,0|1,0,1]=3 119 B7R0.14 C#CC(O)P(=O)(O)O Amb28064013 [0,0,1,0,0,0|0,0,2]=3 120 B7R0.14 C=C(CN)P(=O)(O)O Amb25113500 [0,0,1,0,0,0|2,0,1]=4 121 B7R0.14 C=CC(N)P(=O)(O)O Amb27844718 [0,0,1,0,0,0|1,0,2]=4 122 B7R0.14 CC(NN)P(=O)(O)O Amb27769062 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.14 CCC(C)S(=O)(=O)O Amb22372234 [0,0,1,0,0,0|2,0,1]=4 124 B7R0.14 CCC(Cl)P(=O)(Cl)Cl Amb27875980 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.14 CCC(Cl)P(=O)(O)O Amb27657245 [0,0,1,0,0,0|1,0,0]=2 126 B7R0.14 CCC(N)P(C)(=O)O Amb27390481 [0,0,1,0,0,0|2,0,0]=3 127 B7R0.14 CCC(O)P(=O)(O)O Amb24354457 [0,0,1,0,0,0|0,0,0]=1 128 B7R0.14 CCC(O)S(=O)(=O)O Amb35753165 [0,0,1,0,0,0|1,0,1]=3 129 B7R0.14 CCC(O)S(=O)(=O)[O-] Amb2196490 [0,0,1,0,0,0|1,0,2]=4 130 B7R0.14 CC[C@@H](N)P(=O)(O)O Amb8516010 [0,0,1,0,0,0|1,0,0]=2 131 B7R0.14 CC[C@@H](O)C(C)(C)O Amb27766619 [0,0,1,0,0,0|3,0,0]=4 132 B7R0.14 CC[C@H](N)P(=O)(O)O Amb8517200 [0,0,1,0,0,0|1,0,0]=2 133 B7R0.14 COC(=O)P(=O)(O)O Amb22388745 [0,0,1,0,0,0|1,0,2]=4 134 B7R0.14 CP(=O)(O)C(N)CO Amb25809584 [0,0,1,0,0,0|3,0,0]=4 135 B7R0.14 CP(C)(=O)C(O)CCl Amb27807669 [0,0,1,0,0,0|3,0,0]=4 136 B7R0.14 N#C[C@@H](O)P(=O)(O)O Amb27486589 [0,0,1,0,0,0|1,0,1]=3 137 B7R0.14 NC(CCl)P(=O)(O)O Amb27410198 [0,0,1,0,0,0|2,0,0]=3 138 B7R0.14 NC(CO)P(O)(O)=S Amb27967305 [0,0,1,0,0,0|2,1,0]=4 139 B7R0.14 NCC(Br)P(=O)(O)O Amb28184523 [0,0,1,0,0,0|2,0,0]=3 140 B7R0.14 NCC(F)P(=O)(O)O Amb28132701 [0,0,1,0,0,0|2,0,0]=3 141 B7R0.14 NCC(N)P(=O)(O)O Amb27839530 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.14 NCC(O)P(=O)(O)O Amb9805623 [0,0,1,0,0,0|1,0,0]=2 143 B7R0.14 NC[C@@H](O)P(=O)(O)O Amb25293388 [0,0,1,0,0,0|1,0,0]=2 144 B7R0.14 N[C@H](CCl)P(=O)(O)O Amb27590220 [0,0,1,0,0,0|2,0,0]=3 145 B7R0.14 O=C(CCl)P(=O)(O)O Amb27196109 [0,0,1,0,0,0|1,0,2]=4 146 B7R0.14 O=S(=O)(O)C(O)CCl Amb17594012 [0,0,1,0,0,0|2,0,1]=4 147 B9R1.51 CP(=O)(O)C1CC(N)C1 Amb27882645 [0,0,0,0,0,1|3,0,0]=4 148 B6R0.4 CCCCB(O)O Amb2447142 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.4 CCCCC(=O)O Amb3939877 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.4 CCCC[PH](=O)O Amb8391286 [1,0,1,0,0,0|1,0,0]=3 151 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.4 CCNCC(=O)O Amb7764661 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.4 CCOCC(=O)Cl Amb33528415 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.4 CCOCC(=O)O Amb3939880 [1,0,1,0,0,0|1,0,0]=3 155 B6R0.4 CCOCC(=O)S Amb27813482 [1,0,1,0,0,0|1,1,0]=4 156 B6R0.4 CCOCC(C)=O Amb9666086 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.4 CCOCC(C)O Amb33535096 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.4 CCOC[C@@H](C)O Amb27203934 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.4 CCPCC(=O)O Amb28321137 [1,0,1,0,0,0|2,0,0]=4 160 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,1,0,0,0|1,1,0]=4 161 B6R0.4 NCCC[PH](=O)O Amb22370049 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.4 O=C(O)COCF Amb33378705 [1,0,1,0,0,0|2,0,0]=4 163 B6R0.4 O=S(O)COCO Amb27410575 [1,0,1,0,0,0|2,0,0]=4 164 B6R0.4 O=[PH](O)CCCO Amb28345330 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.5 C=CCP(=O)(O)O Amb24120618 [1,0,1,0,0,0|0,0,2]=4 166 B6R0.5 C=COP(=O)(O)O Amb24599401 [1,0,1,0,0,0|0,0,2]=4 167 B6R0.5 CCCP(=O)(O)O Amb22230045 [1,0,1,0,0,0|0,0,0]=2 168 B6R0.5 CCOP(=O)(Cl)Cl Amb4297439 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.5 CCOP(C)(=O)Cl Amb4297391 [1,0,1,0,0,0|2,0,0]=4 170 B6R0.5 CCOP(C)(=O)F Amb4297377 [1,0,1,0,0,0|2,0,0]=4 171 B6R0.5 CCOP(C)(O)=S Amb22366929 [1,0,1,0,0,0|1,1,0]=4 172 B6R0.5 CNCP(=O)(O)O Amb589043 [1,0,1,0,0,0|1,0,0]=3 173 B6R0.5 CNCP(C)(=O)O Amb4300777 [1,0,1,0,0,0|2,0,0]=4 174 B6R0.5 N#CCP(=O)(O)O Amb31254352 [1,0,1,0,0,0|1,0,1]=4 175 B6R0.5 NCCP(=O)(O)O Amb4297144 [1,0,1,0,0,0|1,0,0]=3 176 B6R0.5 O=CCP(=O)(O)O Amb27187159 [1,0,1,0,0,0|0,0,2]=4 177 B6R0.5 O=P(O)(O)CCBr Amb8479835 [1,0,1,0,0,0|1,0,0]=3 178 B6R0.5 O=P(O)(O)CCCl Amb6297766 [1,0,1,0,0,0|1,0,0]=3 179 B6R0.5 O=P(O)(O)CCO Amb22388824 [1,0,1,0,0,0|0,0,0]=2 180 B6R0.5 O=S(=O)(O)CCO Amb8383477 [1,0,1,0,0,0|1,0,1]=4 181 B6R0.2 CC(=O)CC(C)O Amb17593091 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [1,0,1,0,0,0|0,0,2]=4 183 B6R0.2 CC(Br)CC(=O)O Amb8517108 [1,0,1,0,0,0|2,0,0]=4 184 B6R0.2 CC(C)CB(O)O Amb2447316 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.2 CC(C)CC(=O)O Amb3939848 [1,0,1,0,0,0|2,0,0]=4 186 B6R0.2 CC(C)CC(O)O Amb27207854 [1,0,1,0,0,0|2,0,0]=4 187 B6R0.2 CC(Cl)CC(=O)O Amb3940607 [1,0,1,0,0,0|2,0,0]=4 188 B6R0.2 CC(I)CC(=O)O Amb28398380 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.2 CC(N)CC(=O)O Amb8379759 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.2 CC(O)CC(=O)O Amb8513187 [1,0,1,0,0,0|1,0,0]=3 191 B6R0.2 CC(O)CC(=O)[O-] Amb2725536 [1,0,1,0,0,0|1,0,1]=4 192 B6R0.2 CC(O)CC(C)O Amb10068523 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.2 CC(O)CC(N)=O Amb26394320 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.2 CC(O)CS(C)=O Amb28137235 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.2 CC(O)C[N+](=O)[O-] Amb9678341 [1,0,1,0,0,0|0,1,1]=4 196 B6R0.2 CC(S)CC(=O)O Amb33538201 [1,0,1,0,0,0|1,1,0]=4 197 B6R0.2 CN(O)CC(=O)O Amb29838290 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.2 C[C@@H](Br)CC(=O)O Amb27637683 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.2 C[C@@H](Cl)CC(=O)O Amb27851223 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.2 C[C@@H](N)CC(=O)O Amb16184009 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.2 C[C@@H](N)CC(=O)O Amb8397201 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [1,0,1,0,0,0|1,0,0]=3 203 B6R0.2 C[C@@H](O)CC(=O)[O-] Amb8470924 [1,0,1,0,0,0|1,0,1]=4 204 B6R0.2 C[C@@H](O)CS(C)=O Amb27457390 [1,0,1,0,0,0|2,0,0]=4 205 B6R0.2 C[C@H](Br)CC(=O)O Amb24432019 [1,0,1,0,0,0|2,0,0]=4 206 B6R0.2 C[C@H](N)CC(=O)O Amb16184012 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.2 C[C@H](N)CC(=O)O Amb8397200 [1,0,1,0,0,0|2,0,0]=4 208 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [1,0,1,0,0,0|1,0,0]=3 209 B6R0.2 C[C@H](O)C[C@@H](C)O Amb27273041 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.2 C[C@H](O)C[C@H](C)O Amb20242416 [1,0,1,0,0,0|2,0,0]=4 211 B6R0.2 OC(O)CC(O)O Amb27632053 [1,0,1,0,0,0|2,0,0]=4 212 B6R0.3 CCC(Br)C(=O)O Amb5716858 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.3 CCC(C)B(O)O Amb10071974 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.3 CCC(C)C(=O)O Amb9703224 [1,0,1,0,0,0|2,0,0]=4 215 B6R0.3 CCC(C)C(O)O Amb27826789 [1,0,1,0,0,0|2,0,0]=4 216 B6R0.3 CCC(Cl)C(=O)O Amb4017887 [1,0,1,0,0,0|2,0,0]=4 217 B6R0.3 CCC(Cl)C(O)O Amb27400305 [1,0,1,0,0,0|2,0,0]=4 218 B6R0.3 CCC(F)C(=O)O Amb25716167 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.3 CCC(N)B(O)O Amb28367684 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.3 CCC(N)C(=O)O Amb9729506 [1,0,1,0,0,0|2,0,0]=4 221 B6R0.3 CCC(O)C(=O)O Amb6609018 [1,0,1,0,0,0|1,0,0]=3 222 B6R0.3 CCC(O)C(=O)[O-] Amb17943026 [1,0,1,0,0,0|1,0,1]=4 223 B6R0.3 CCC(O)C(C)=O Amb25336501 [1,0,1,0,0,0|2,0,0]=4 224 B6R0.3 CCC(O)C(C)O Amb2227553 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.3 CCC(O)C(N)=O Amb24116514 [1,0,1,0,0,0|2,0,0]=4 226 B6R0.3 CCC(O)S(=O)[O-] Amb27166943 [1,0,1,0,0,0|1,0,1]=4 227 B6R0.3 CCC(S)C(=O)O Amb17501370 [1,0,1,0,0,0|1,1,0]=4 228 B6R0.3 CC[C@@H](Br)C(=O)O Amb9785161 [1,0,1,0,0,0|2,0,0]=4 229 B6R0.3 CC[C@@H](C)B(O)O Amb27784066 [1,0,1,0,0,0|2,0,0]=4 230 B6R0.3 CC[C@@H](C)C(=O)O Amb8384578 [1,0,1,0,0,0|2,0,0]=4 231 B6R0.3 CC[C@@H](Cl)C(=O)O Amb22800493 [1,0,1,0,0,0|2,0,0]=4 232 B6R0.3 CC[C@@H](N)C(=O)O Amb16233349 [1,0,1,0,0,0|2,0,0]=4 233 B6R0.3 CC[C@@H](N)C(=O)O Amb3940761 [1,0,1,0,0,0|2,0,0]=4 234 B6R0.3 CC[C@@H](O)C(=O)O Amb22369401 [1,0,1,0,0,0|1,0,0]=3 235 B6R0.3 CC[C@@H](O)C(N)=O Amb27792606 [1,0,1,0,0,0|2,0,0]=4 236 B6R0.3 CC[C@H](Br)C(=O)O Amb20242441 [1,0,1,0,0,0|2,0,0]=4 237 B6R0.3 CC[C@H](C)B(O)O Amb25746615 [1,0,1,0,0,0|2,0,0]=4 238 B6R0.3 CC[C@H](C)C(=O)O Amb8514667 [1,0,1,0,0,0|2,0,0]=4 239 B6R0.3 CC[C@H](Cl)C(=O)O Amb25190040 [1,0,1,0,0,0|2,0,0]=4 240 B6R0.3 CC[C@H](N)C(=O)O Amb2694208 [1,0,1,0,0,0|2,0,0]=4 241 B6R0.3 CC[C@H](N)C(=O)O Amb8631089 [1,0,1,0,0,0|2,0,0]=4 242 B6R0.3 CC[C@H](O)C(=O)O Amb4166324 [1,0,1,0,0,0|1,0,0]=3 243 B6R0.3 CC[C@H](O)[C@@H](C)O Amb27972258 [1,0,1,0,0,0|2,0,0]=4 244 B6R0.3 CC[C@H](O)[C@H](C)O Amb27664238 [1,0,1,0,0,0|2,0,0]=4 245 B6R0.3 CC[C@H](S)C(=O)O Amb9785162 [1,0,1,0,0,0|1,1,0]=4 246 B6R0.3 CNC(O)C(=O)O Amb27229907 [1,0,1,0,0,0|2,0,0]=4 247 B6R0.3 NCC(O)C(=O)O Amb8517492 [1,0,1,0,0,0|2,0,0]=4 248 B6R0.3 NC[C@@H](O)C(=O)O Amb22169412 [1,0,1,0,0,0|2,0,0]=4 249 B6R0.3 NC[C@H](O)C(=O)O Amb4166313 [1,0,1,0,0,0|2,0,0]=4 250 B6R0.3 O=C(O)C(O)CBr Amb24061932 [1,0,1,0,0,0|2,0,0]=4 251 B6R0.3 O=C(O)C(O)CCl Amb6371692 [1,0,1,0,0,0|2,0,0]=4 252 B6R0.3 O=C(O)C(O)CF Amb27476477 [1,0,1,0,0,0|2,0,0]=4 253 B6R0.3 O=C(O)C(O)CO Amb17593103 [1,0,1,0,0,0|2,0,0]=4 254 B6R0.3 O=C(O)C(O)CS Amb18642053 [1,0,1,0,0,0|2,0,0]=4 255 B6R0.3 O=C(O)[C@@H](O)CBr Amb27858794 [1,0,1,0,0,0|2,0,0]=4 256 B6R0.3 O=C(O)[C@@H](O)CCl Amb22225325 [1,0,1,0,0,0|2,0,0]=4 257 B6R0.3 O=C(O)[C@@H](O)CF Amb24117272 [1,0,1,0,0,0|2,0,0]=4 258 B6R0.3 O=C(O)[C@@H](O)CO Amb22226732 [1,0,1,0,0,0|2,0,0]=4 259 B6R0.3 O=C(O)[C@H](O)CBr Amb28137021 [1,0,1,0,0,0|2,0,0]=4 260 B6R0.3 O=C(O)[C@H](O)CF Amb27467272 [1,0,1,0,0,0|2,0,0]=4 261 B6R0.3 O=C(O)[C@H](O)CO Amb4166319 [1,0,1,0,0,0|2,0,0]=4 262 B6R0.7 CC(=O)P(=O)(O)O Amb25229259 [1,0,1,0,0,0|0,0,2]=4 263 B6R0.7 CC(C)P(=O)(O)O Amb4297373 [1,0,1,0,0,0|1,0,0]=3 264 B6R0.7 C[C@@H](N)P(=O)(O)O Amb546329 [1,0,1,0,0,0|1,0,0]=3 265 B6R0.7 C[C@@H](O)P(=O)(O)O Amb27763847 [1,0,1,0,0,0|0,0,0]=2 266 B6R0.7 C[C@H](N)P(=O)(O)O Amb568738 [1,0,1,0,0,0|1,0,0]=3 267 B6R0.7 C[C@H](O)P(=O)(O)O Amb27987308 [1,0,1,0,0,0|0,0,0]=2 268 B6R0.7 O=P(O)(O)C(Cl)Cl Amb25286944 [1,0,1,0,0,0|2,0,0]=4 269 B6R1.8 CC1CC1C=O Amb20622289 [2,0,0,0,0,0|2,0,0]=4 270 B6R1.8 CC1CC1CO Amb3939121 [2,0,0,0,0,0|2,0,0]=4 271 B6R1.8 CC1OC1CBr Amb25275044 [2,0,0,0,0,0|2,0,0]=4 272 B6R1.8 CC1OC1CI Amb27592111 [2,0,0,0,0,0|2,0,0]=4 273 B6R1.8 CC1OC1CO Amb25868965 [2,0,0,0,0,0|1,0,0]=3 274 B6R1.8 CCC1OC1C Amb1141391 [2,0,0,0,0,0|2,0,0]=4 275 B6R1.8 C[C@@H]1C[C@@H]1CO Amb24519750 [2,0,0,0,0,0|2,0,0]=4 276 B6R1.8 C[C@@H]1C[C@H]1CO Amb22886842 [2,0,0,0,0,0|2,0,0]=4 277 B6R1.8 C[C@@H]1O[C@H]1CI Amb28384473 [2,0,0,0,0,0|2,0,0]=4 278 B6R1.8 C[C@@H]1O[C@H]1CO Amb26413882 [2,0,0,0,0,0|1,0,0]=3 279 B6R1.8 C[C@H]1C[C@@H]1CO Amb28435687 [2,0,0,0,0,0|2,0,0]=4 280 B6R1.8 C[C@H]1C[C@H]1CO Amb28053440 [2,0,0,0,0,0|2,0,0]=4 281 B6R1.8 C[C@H]1O[C@@H]1CO Amb27874000 [2,0,0,0,0,0|1,0,0]=3 282 B6R1.8 C[C@H]1O[C@H]1CCl Amb27489074 [2,0,0,0,0,0|2,0,0]=4 283 B6R1.11 CC(=O)C1CO1 Amb4477044 [2,0,0,0,0,0|2,0,0]=4 284 B6R1.11 CC(O)C1CO1 Amb17593033 [2,0,0,0,0,0|2,0,0]=4 285 B6R1.11 C[C@@H](O)[C@@H]1CO1 Amb27268412 [2,0,0,0,0,0|2,0,0]=4 286 B6R1.11 NC(=O)C1CO1 Amb6261241 [2,0,0,0,0,0|2,0,0]=4 287 B6R1.11 O=C(O)C1CC1 Amb2686655 [2,0,0,0,0,0|2,0,0]=4 288 B6R1.11 O=C(O)C1CN1 Amb21864773 [2,0,0,0,0,0|2,0,0]=4 289 B6R1.11 O=C(O)C1CO1 Amb8395277 [2,0,0,0,0,0|1,0,0]=3 290 B6R1.11 O=C(O)[C@@H]1CN1 Amb22745452 [2,0,0,0,0,0|2,0,0]=4 291 B6R1.11 O=C(O)[C@@H]1CO1 Amb26994292 [2,0,0,0,0,0|1,0,0]=3 292 B6R1.11 O=C(O)[C@@H]1CS1 Amb28396934 [2,0,0,0,0,0|1,1,0]=4 293 B6R1.11 O=C(O)[C@H]1CS1 Amb27845518 [2,0,0,0,0,0|1,1,0]=4 294 B6R1.11 O=C([O-])C1CO1 Amb22492453 [2,0,0,0,0,0|1,0,1]=4 295 B6R1.11 O=S(O)C1CC1 Amb24334290 [2,0,0,0,0,0|2,0,0]=4 296 B6R1.11 O=[PH](O)C1CC1 Amb8391285 [2,0,0,0,0,0|1,0,0]=3 297 B6R1.11 OB(O)C1CC1 Amb2455832 [2,0,0,0,0,0|2,0,0]=4 298 B6R1.11 OC(O)C1CC1 Amb28062492 [2,0,0,0,0,0|2,0,0]=4 299 B8R0.14 CC(CCO)P(=O)(O)O Amb28125457 [0,1,1,0,0,0|2,0,0]=4 300 B8R0.14 CCCC(N)P(=O)(O)O Amb8516011 [0,1,1,0,0,0|1,0,0]=3 301 B8R0.14 CCCC(O)P(=O)(O)O Amb26480670 [0,1,1,0,0,0|1,0,0]=3 302 B8R0.14 CCCC(O)P(C)(=O)O Amb28315561 [0,1,1,0,0,0|2,0,0]=4 303 B8R0.14 CCC[C@@H](O)P(=O)(O)O Amb27172583 [0,1,1,0,0,0|1,0,0]=3 304 B8R0.14 C[C@H](CCO)P(=O)(O)O Amb27765916 [0,1,1,0,0,0|2,0,0]=4 305 B8R0.14 N[C@@H](CCO)P(=O)(O)O Amb27424703 [0,1,1,0,0,0|2,0,0]=4 306 B8R0.14 O=P(O)(O)[C@@H](O)CCF Amb27766537 [0,1,1,0,0,0|2,0,0]=4 307 B8R0.21 CCCCOP(=O)(O)O Amb24419212 [0,1,1,0,0,0|1,0,0]=3 308 B8R0.21 CCNCCP(=O)(O)O Amb27400507 [0,1,1,0,0,0|1,0,0]=3 309 B8R0.21 CNCCOP(=O)(O)O Amb25785079 [0,1,1,0,0,0|2,0,0]=4 310 B8R0.21 CNCCSP(=O)(O)O Amb27749900 [0,1,1,0,0,0|2,0,0]=4 311 B8R0.21 COCCOP(=O)(O)O Amb25366442 [0,1,1,0,0,0|2,0,0]=4 312 B8R0.21 N#CCNCP(=O)(O)O Amb27592817 [0,1,1,0,0,0|1,0,1]=4 313 B8R0.21 NCCCCP(=O)(O)O Amb4036798 [0,1,1,0,0,0|1,0,0]=3 314 B8R0.21 NP(=O)(O)CCCCCl Amb27659294 [0,1,1,0,0,0|2,0,0]=4 315 B8R0.21 O=CCCCP(=O)(O)O Amb28143994 [0,1,1,0,0,0|1,0,1]=4 316 B8R0.21 O=P(O)(O)C#CCCO Amb27790409 [0,1,1,0,0,0|1,0,1]=4 317 B8R0.21 O=P(O)(O)CCCCBr Amb22832006 [0,1,1,0,0,0|1,0,0]=3 318 B8R0.21 O=P(O)(O)CCCCCl Amb22388731 [0,1,1,0,0,0|1,0,0]=3 319 B8R0.21 O=P(O)(O)CCCNO Amb17615049 [0,1,1,0,0,0|2,0,0]=4 320 B8R0.21 O=P(O)(O)COCCBr Amb27830604 [0,1,1,0,0,0|0,0,0]=2 321 B8R0.21 O=P(O)(O)OCCCO Amb28077881 [0,1,1,0,0,0|2,0,0]=4 322 B8R0.24 CCC(C)OP(=O)(O)O Amb27202561 [0,1,1,0,0,0|2,0,0]=4 323 B8R0.24 CCC(N)CP(=O)(O)O Amb27407104 [0,1,1,0,0,0|1,0,0]=3 324 B8R0.24 NCC(=O)CP(=O)(O)O Amb28141900 [0,1,1,0,0,0|2,0,0]=4 325 B8R0.24 O=P(O)(O)CC(O)CCl Amb3354883 [0,1,1,0,0,0|2,0,0]=4 326 B8R0.25 CCCOP(=O)(O)OC Amb27430040 [0,1,1,0,0,0|2,0,0]=4 327 B8R0.25 CCNCP(=O)(O)CC Amb27790812 [0,1,1,0,0,0|2,0,0]=4 328 B8R0.25 CCNCP(=O)(O)CO Amb27873445 [0,1,1,0,0,0|1,0,0]=3 329 B8R0.25 CCOCC(C)(O)C=O Amb27461744 [0,1,1,0,0,0|2,0,0]=4 330 B8R0.29 C=C(C)CCP(=O)(O)O Amb27163975 [0,1,1,0,0,0|1,0,1]=4 331 B8R0.29 CC(=O)NCP(=O)(O)O Amb26515978 [0,1,1,0,0,0|1,0,1]=4 332 B8R0.29 CC(C)COP(=O)(O)O Amb25264732 [0,1,1,0,0,0|2,0,0]=4 333 B8R0.29 CC(N)CCP(=O)(O)O Amb27392223 [0,1,1,0,0,0|1,0,0]=3 334 B8R0.29 CC(O)NCP(=O)(O)O Amb27201283 [0,1,1,0,0,0|1,0,0]=3 335 B8R0.29 CN(C)CCP(=O)(O)O Amb26639131 [0,1,1,0,0,0|2,0,0]=4 336 B8R0.27 CC(=O)C(N)P(=O)(O)O Amb27835752 [0,1,1,0,0,0|0,0,2]=4 337 B8R0.27 CC(C(=O)O)P(=O)(O)O Amb9814224 [0,1,1,0,0,0|1,0,1]=4 338 B8R0.27 CC(C)C(N)P(=O)(O)O Amb2719706 [0,1,1,0,0,0|1,0,0]=3 339 B8R0.27 CC(C)C(O)P(=O)(O)O Amb26927015 [0,1,1,0,0,0|1,0,0]=3 340 B8R0.27 CC(C)[C@@H](N)P(=O)(O)O Amb8517217 [0,1,1,0,0,0|1,0,0]=3 341 B8R0.27 CC(C)[C@H](N)P(=O)(O)O Amb8517216 [0,1,1,0,0,0|1,0,0]=3 342 B8R0.27 CC(N(C)C)P(=O)(O)O Amb27879961 [0,1,1,0,0,0|2,0,0]=4 343 B8R0.27 CC(N)C(C)P(=O)(O)O Amb27423372 [0,1,1,0,0,0|1,0,0]=3 344 B8R0.27 CC(O)C(O)P(=O)(O)O Amb25235589 [0,1,1,0,0,0|0,0,0]=2 345 B8R0.27 C[C@@H](N)[C@@H](O)P(=O)(O)O Amb27813334 [0,1,1,0,0,0|1,0,0]=3 346 B8R0.27 C[C@@H](O)[C@@H](N)P(=O)(O)O Amb28254589 [0,1,1,0,0,0|0,0,0]=2 347 B8R0.27 C[C@H](N)[C@H](O)P(=O)(O)O Amb27244964 [0,1,1,0,0,0|1,0,0]=3 348 B8R0.27 C[C@H](O)[C@H](N)P(=O)(O)O Amb28366442 [0,1,1,0,0,0|0,0,0]=2 349 B8R0.27 O=C(O)C(O)P(=O)(O)O Amb24117287 [0,1,1,0,0,0|1,0,1]=4 350 B8R0.33 CC(C)(C)OP(=O)(O)O Amb27430269 [0,1,1,0,0,0|2,0,0]=4 351 B8R0.33 O=P(O)(O)CP(=O)(O)O Amb1198689 [0,1,1,0,0,0|2,0,0]=4 352 B8R0.34 C[C@H](O)C[C@](C)(O)CO Amb27605361 [0,1,1,0,0,0|2,0,0]=4 353 B8R0.13 CCC(N)P(=O)(O)OC Amb27424631 [0,1,1,0,0,0|1,0,0]=3 354 B8R0.13 CCC(O)P(C)(=O)OC Amb27765924 [0,1,1,0,0,0|1,0,0]=3 355 B8R0.13 CC[C@@H](N)P(=O)(O)OC Amb27238648 [0,1,1,0,0,0|1,0,0]=3 356 B8R0.13 CC[C@H](O)[C@](C)(O)CO Amb27260228 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.13 O=CC(O)(O)C(O)CO Amb27208401 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.13 O=CC(O)(O)[C@H](O)CO Amb27782465 [0,1,1,0,0,0|2,0,0]=4 359 B8R0.17 CCC(N)(S)P(=O)(O)O Amb27238645 [0,1,1,0,0,0|0,1,0]=3 360 B8R0.26 CCC(CC)P(=O)(O)O Amb27630391 [0,1,1,0,0,0|1,0,0]=3 361 B8R0.26 CCC(CN)P(=O)(O)O Amb28146001 [0,1,1,0,0,0|1,0,0]=3 362 B8R0.26 CCC(CO)P(=O)(O)O Amb27196393 [0,1,1,0,0,0|0,0,0]=2 363 B8R1.30 CC(O)[C@]1(C)O[C@@H]1C Amb27662429 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.30 CC1CC1(C)C(=O)O Amb28456906 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.30 CC1CC1(F)C(=O)O Amb32679974 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.30 CC1CC1(N)C(=O)O Amb26066646 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.30 C[C@@H](O)[C@@]1(C)O[C@@H]1C Amb27804524 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.30 C[C@@H]1C[C@@]1(C)C(=O)O Amb24680945 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.30 C[C@@H]1C[C@@]1(O)C(=O)O Amb28133921 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.30 C[C@@H]1O[C@]1(C)C(=O)O Amb28057500 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.30 C[C@@H]1O[C@]1(C)[C@@H](C)O Amb27981720 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.30 C[C@H](O)[C@]1(C)O[C@@H]1C Amb27463940 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.30 C[C@H]1C[C@@]1(C)C(=O)O Amb27789627 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.30 C[C@H]1C[C@@]1(Cl)C(=O)O Amb28286348 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.30 C[C@H]1C[C@]1(N)C(=O)O Amb27873946 [1,1,0,0,0,0|2,0,0]=4 376 B8R1.30 C[C@H]1C[C@]1(O)C(=O)O Amb27881113 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.43 CC(O)C1OC1CO Amb27780716 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.43 CCC1CC1C(=O)O Amb18961272 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.43 CCC1OC1C(C)=O Amb27206899 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.43 CCC1OC1C(N)=O Amb27461385 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Amb24112910 [1,1,0,0,0,0|2,0,0]=4 382 B8R1.43 CC[C@@H]1O[C@@H]1C(=O)O Amb27855470 [1,1,0,0,0,0|1,0,0]=3 383 B8R1.43 CC[C@@H]1O[C@@H]1C(C)=O Amb27854614 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.43 CC[C@H]1C[C@H]1C(=O)O Amb33098417 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.43 CC[C@H]1O[C@@H]1C(=O)O Amb27811556 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.43 CC[C@H]1O[C@H]1C(=O)O Amb27222314 [1,1,0,0,0,0|1,0,0]=3 387 B8R1.43 CO[C@@H]1C[C@H]1C(=O)O Amb24514838 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.43 C[C@H](O)[C@@H]1O[C@H]1CO Amb27202107 [1,1,0,0,0,0|2,0,0]=4 389 B8R1.43 NCC1CC1C(=O)O Amb2694938 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb24680970 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb32992808 [1,1,0,0,0,0|2,0,0]=4 392 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Amb27205078 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O Amb27252099 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.43 NC[C@H]1C[C@H]1C(=O)O Amb28069146 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.43 O=C(O)C1CC1CBr Amb27407770 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.43 O=C(O)C1CC1CCl Amb26895220 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.43 O=C(O)C1CC1CO Amb25173469 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.43 O=C(O)[C@@H]1C[C@@H]1CO Amb28198703 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.43 O=C(O)[C@@H]1C[C@H]1CBr Amb26552185 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.43 O=C(O)[C@@H]1C[C@H]1CF Amb33098414 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO Amb25231147 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.43 O=C(O)[C@H]1C[C@H]1CO Amb26916980 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.43 OB(O)C1CC1CCl Amb27955519 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.67 C=C1C(C)C1C(=O)O Amb27985954 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.67 CC1C(Cl)C1C(=O)O Amb32656377 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C Amb25937319 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.67 C[C@@H]1[C@@H](N)[C@@H]1C(=O)O Amb28365983 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.77 CC(=O)C1OC1(C)C Amb4605897 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.77 CC1(Br)CC1C(=O)O Amb26021075 [1,1,0,0,0,0|2,0,0]=4 410 B8R1.77 CC1(C)CC1B(O)O Amb28316229 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.77 CC1(C)CC1C(=O)O Amb8385610 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.77 CC1(C)C[C@@H]1C(=O)O Amb8629067 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.77 CC1(C)OC1C(=O)O Amb24481352 [1,1,0,0,0,0|1,0,0]=3 414 B8R1.77 C[C@@H](O)[C@@H]1OC1(C)C Amb27422577 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.77 C[C@@]1(Br)C[C@@H]1C(=O)O Amb27477854 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.77 C[C@H](O)[C@@H]1OC1(C)C Amb27422584 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.77 C[C@H](O)[C@H]1OC1(C)C Amb27219828 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.83 C#CC(=O)[C@@H]1O[C@H]1C Amb28054303 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.83 C=CC(O)C1OC1C Amb24533997 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.83 CC1CC1C(O)CO Amb33449423 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.83 CCC(=O)C1OC1C Amb25944989 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.83 COC(=O)C1CC1C Amb9241819 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.83 COC(=O)C1OC1C Amb22055865 [1,1,0,0,0,0|1,0,0]=3 424 B8R1.83 COC(=O)[C@@H]1C[C@H]1C Amb27205901 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.83 COC(=O)[C@@H]1N[C@H]1C Amb24120620 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.83 COC(=O)[C@@H]1O[C@H]1C Amb27880914 [1,1,0,0,0,0|1,0,0]=3 427 B8R1.83 C[C@@H](CO)[C@@H]1O[C@@H]1C Amb27423180 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.28 C[C@](O)(CO)[C@H]1CO1 Amb27197667 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.70 NC1(P(=O)(O)O)CC1 Amb26007575 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.167 CC[C@@H]1C[C@@]1(N)P(=O)(O)O Amb28051789 [0,2,0,0,0,0|1,0,0]=3 431 B10R1.167 N[C@@]1(P(=O)(O)O)C[C@H]1CO Amb28429572 [0,2,0,0,0,0|1,0,0]=3 432 B10R1.347 C[C@H](N)[C@H]1O[C@@H]1S(=O)(=O)O Amb27420076 [0,2,0,0,0,0|1,0,1]=4 433 B10R1.602 COP(=O)(OC)N1C[C@@H]1C Amb32643976 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.602 COP(=O)(OC)N1C[C@H]1C Amb32643977 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.602 C[C@@H]1O[C@@H]1P(=O)(O[Na])O[Na] Amb8390483 [0,2,0,0,0,0|0,0,0]=2 436 B8R1.72 O=P1(O)OCCCO1 Amb27881859 [0,0,1,1,0,0|2,0,0]=4 437 B8R2.6 CC1OC12OC2C Amb27767939 [1,0,0,1,0,0|2,0,0]=4 438 B8R2.38 O=C1CCC2OC12 Amb28141441 [1,0,0,1,0,0|2,0,0]=4 439 B8R2.38 O=C1NCC2OC12 Amb28143671 [1,0,0,1,0,0|2,0,0]=4 440 B8R2.38 O=C1OCC2CC12 Amb24113373 [1,0,0,1,0,0|2,0,0]=4 441 B8R2.38 O=C1OC[C@H]2C[C@@H]12 Amb27421949 [1,0,0,1,0,0|2,0,0]=4 442 B8R2.38 O[C@@H]1CC[C@@H]2O[C@@H]21 Amb27423249 [1,0,0,1,0,0|2,0,0]=4 443 B8R2.38 O[C@H]1CC[C@H]2O[C@@H]12 Amb28321610 [1,0,0,1,0,0|2,0,0]=4 444 B8R2.66 O=C(O)C12CC1C2 Amb24732235 [1,0,0,1,0,0|2,0,0]=4 445 B10R2.147 C[C@@]1(CO)OC[C@@H]2O[C@@H]21 Amb27197663 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.20 CC(=O)CC1OC1C Amb27767850 [1,0,0,0,0,1|2,0,0]=4 447 B8R1.20 CC(O)CC1OC1C Amb27763687 [1,0,0,0,0,1|2,0,0]=4 448 B8R1.20 CC(O)C[C@@H]1O[C@@H]1C Amb27852494 [1,0,0,0,0,1|2,0,0]=4 449 B8R1.20 CC(O)C[C@@H]1O[C@H]1C Amb28197530 [1,0,0,0,0,1|2,0,0]=4 450 B8R1.20 CC(O)C[C@H]1O[C@H]1C Amb27220288 [1,0,0,0,0,1|2,0,0]=4 451 B8R1.20 CC1CC1CC(=O)O Amb25316515 [1,0,0,0,0,1|2,0,0]=4 452 B8R1.20 C[C@@H]1C[C@H]1CB(O)O Amb27448502 [1,0,0,0,0,1|2,0,0]=4 453 B8R1.20 C[C@@H]1C[C@H]1CC(=O)O Amb28058267 [1,0,0,0,0,1|2,0,0]=4 454 B8R1.23 CC1CC(C(=O)O)C1 Amb19515989 [1,0,0,0,0,1|2,0,0]=4 455 B8R1.23 CC1CC(C(=O)O)N1 Amb27816510 [1,0,0,0,0,1|2,0,0]=4 456 B8R1.23 CC1CC(C(=O)O)N1 Amb33482923 [1,0,0,0,0,1|2,0,0]=4 457 B8R1.23 CC1CC(C(C)O)O1 Amb28125884 [1,0,0,0,0,1|2,0,0]=4 458 B8R1.23 CC1C[C@H]([C@H](C)O)O1 Amb27775507 [1,0,0,0,0,1|2,0,0]=4 459 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483898 [1,0,0,0,0,1|2,0,0]=4 460 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483920 [1,0,0,0,0,1|2,0,0]=4 461 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483819 [1,0,0,0,0,1|2,0,0]=4 462 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483820 [1,0,0,0,0,1|2,0,0]=4 463 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 Amb22746374 [1,0,0,0,0,1|2,0,0]=4 464 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 Amb22746375 [1,0,0,0,0,1|2,0,0]=4 465 B8R1.31 CC1CCC1C(=O)O Amb21857447 [1,0,0,0,0,1|2,0,0]=4 466 B8R1.31 CC1NCC1C(=O)O Amb26984410 [1,0,0,0,0,1|2,0,0]=4 467 B8R1.31 C[C@@H]1CC[C@@H]1C(=O)O Amb28203929 [1,0,0,0,0,1|2,0,0]=4 468 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O Amb24597629 [1,0,0,0,0,1|2,0,0]=4 469 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O Amb33620541 [1,0,0,0,0,1|2,0,0]=4 470 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O Amb34913092 [1,0,0,0,0,1|2,0,0]=4 471 B8R1.31 NC1COC1C(=O)O Amb28428430 [1,0,0,0,0,1|2,0,0]=4 472 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Amb24681491 [1,0,0,0,0,1|2,0,0]=4 473 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Amb25324265 [1,0,0,0,0,1|2,0,0]=4 474 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Amb25929776 [1,0,0,0,0,1|2,0,0]=4 475 B10R1.55 O=P(O)(O)[C@H]1C[C@@H](O)CN1 Amb27430251 [0,0,0,0,0,2|2,0,0]=4 476 B10R1.65 N[C@H]1CCC[C@H]1P(=O)(O)O Amb27647522 [0,0,0,0,0,2|2,0,0]=4