0 B5R0.5 C(C(=O)O)(=O)O AK-40231 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 C=C(F)C(O)=O AK107642 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 CC(C)C(N)=O AK-80490 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 CC(O)C([O-])=O AK114515 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.5 O=C(O)C(O)=O AK116416 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.5 O=C([O-])C([O-])=O AK112218 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(NN)=N AK114707 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C\C(N)=N\O AK-91616 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 N=C(N)OC AK-48234 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 N=C(N)SC AK-44125 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 NC(=O)CI AK110349 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 NC(NC)=N AK-73103 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 NC(OC)=N AK116935 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 NCC(N)=O AK-41459 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 O=C(N)CBr AK-50036 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 O=C(N)NO AK128930 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 O=C(O)CN AK-77854 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 O=C([O-])CN AK114167 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.3 CC(C#N)C(O)=O AK544214 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.3 CC(N(CC)C)=O AK149250 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.3 CC(N)C(OC)=O AK-48822 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.3 CCC(N(C)C)=O AK105976 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.3 COC(C)C(O)=O AK-49797 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.3 NC(CO)C(O)=O AK-41368 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.3 O=C(N(C)C)CN AK-33842 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.3 O=C(N(C)C)CN AK-39204 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.3 O=C(O)C(C)CBr AK116257 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 O=C(O)C(N)CN AK-44800 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 O=C(O)C(O)CO AK114312 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 O=C([O-])C(OC)=O AK670985 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.7 CC(C(O)=O)(C)N AK-47379 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.7 CC(C)(Br)C(N)=O AK-65163 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.7 CC(C)(C)C([O-])=O AK160916 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.7 CC(C)(C)C([O-])=O AK311585 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.7 CC(C)(O)C(N)=O AK-57348 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.7 CC(F)(F)C(O)=O AK109307 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.7 O=C(N)C(C)(C)C AK208951 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.7 O=C(P([O-])([O-])=O)[O-] AK544593 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.7 O=C([O-])C(C)(C)C AK208709 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,0,0,0,1|3,0,0]=4 79 B6R0.2 CC(=O)NC(N)=N AK-47569 [0,0,0,0,0,1|2,0,0]=3 80 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,0,0,0,1|1,0,1]=3 81 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,0,0,0,1|1,0,0]=2 82 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,0,0,0,0,1|2,0,1]=4 83 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,0,0,0,0,1|2,0,1]=4 84 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,0,0,0,1|1,0,2]=4 85 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,0,0,0,1|1,0,2]=4 86 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,0,0,0,0,1|2,0,1]=4 87 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,0,0,0,0,1|2,0,1]=4 88 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,0,1|2,0,0]=3 89 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,0,0,0,1|3,0,0]=4 90 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,0,0,0,0,1|2,0,0]=3 91 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,1]=4 92 B3R0.1 CONC AK-41541 [2,0,0,0,0,0|2,0,0]=4 93 B3R0.2 CC(N)=O AK-97258 [2,0,0,0,0,0|1,0,0]=3 94 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|0,0,1]=3 95 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|0,0,1]=3 96 B3R0.2 CC([O-])=O AK-98692 [2,0,0,0,0,0|0,0,1]=3 97 B3R0.2 [O-]C([O-])=O AK106969 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.1 C(C(=O)O)NC AK-47434 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.1 CC#CC(O)=O AK-49957 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.1 CNCC(N)=O AK-90265 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.1 NCCC(N)=O AK-26218 [1,1,0,0,0,0|1,0,1]=4 102 B5R0.1 NCCC(O)=O AK-41261 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.1 O=C(N)CSC AK-34209 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.1 O=CCN(C)C AK136086 [1,1,0,0,0,0|2,0,0]=4 105 B5R0.1 O=CCN(C)C AK172998 [1,1,0,0,0,0|2,0,0]=4 106 B5R0.3 C=CC(NC)=O AK115593 [1,1,0,0,0,0|0,0,1]=3 107 B5R0.3 CCC(CN)=O AK-38468 [1,1,0,0,0,0|0,0,1]=3 108 B5R0.3 CCC(CO)=O AK149491 [1,1,0,0,0,0|0,0,1]=3 109 B5R0.3 CNC(=O)CCl AK-82796 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.3 NCC(OC)=O AK-43994 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.3 NNC(=O)CO AK-89508 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.3 NNC(OC)=O AK109362 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.3 O=C(CO)CO AK-46682 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.3 O=C(OC)CO AK-98661 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.3 O=C[C@H](O)CO AK122382 [1,1,0,0,0,0|0,0,2]=4 116 B5R0.4 CS(=O)(OC)=O AK114353 [1,1,0,0,0,0|2,0,0]=4 117 B5R0.4 C[S](=O)(=O)NC AK-44250 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.2 CN(C)C=C(C)C=O AK-79155 [0,1,0,0,0,1|2,0,0]=4 119 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,0,0,0,1|1,0,1]=4 120 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,0,0,0,1|0,0,2]=4 121 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,0,0,0,1|0,0,2]=4 122 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,1,0,0,0,1|1,0,0]=3 123 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,1,0,0,0,1|1,0,0]=3 124 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,1,0,0,0,1|1,0,1]=4 125 B7R0.9 CS(=O)(=O)CC(O)=O AK-82795 [0,1,0,0,0,1|2,0,0]=4 126 B7R0.16 NC(C(O)=O)C(O)=O AK-49231 [0,1,0,0,0,1|2,0,0]=4 127 B7R0.16 O=C(C(C(N)=O)N)N AK-48787 [0,1,0,0,0,1|2,0,0]=4 128 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,2,0,0,0,0|1,0,1]=4 129 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,2,0,0,0,0|0,0,2]=4 133 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,2,0,0,0,0|1,0,1]=4 135 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,2,0,0,0,0|1,1,0]=4 136 B7R0.10 CCC(N(OC)C)=O AK130253 [0,2,0,0,0,0|1,0,1]=4 137 B7R0.10 CCC(N)C(OC)=O AK115477 [0,2,0,0,0,0|1,0,1]=4 138 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,2,0,0,0,0|1,0,1]=4 139 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.10 COC(O)C(=O)OC AK-33946 [0,2,0,0,0,0|0,0,2]=4 142 B7R0.10 CON(C)C(=O)CCl AK-36069 [0,2,0,0,0,0|1,0,1]=4 143 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.10 O=C(OC)C(Br)CO AK142725 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.10 O=C(OC)C(N)CO AK-44174 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,2,0,0,0,0|0,0,2]=4 148 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,2,0,0,0,0|0,0,2]=4 150 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [0,2,0,0,0,0|1,0,1]=4 151 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,2,0,0,0,0|0,0,2]=4 152 B7R0.10 OC\C(Br)=C(Br)\CO AK146734 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,2,0,0,0,0|0,0,2]=4 154 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.13 CC(C(C)(C)C#N)=O AK-77638 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.14 NC(C(=O)OC)(C)C AK-46629 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.15 CC(N(CC)CC)=O AK105973 [0,2,0,0,0,0|2,0,0]=4 158 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,1,0,0|0,0,2]=4 159 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,1,0,0|1,0,1]=4 160 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,1,0,0|0,1,1]=4 161 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,1,0,0|1,0,0]=3 162 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [0,0,0,1,0,1|2,0,0]=4 163 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [0,0,0,1,0,1|2,0,0]=4 164 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [0,0,0,1,0,1|1,1,0]=4 165 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [0,0,0,1,0,1|2,0,0]=4 166 B7R1.2 CC1=NN=C(C)N1 AK-32124 [0,0,0,1,0,1|2,0,0]=4 167 B7R1.2 CC1=NN=C(C)O1 AK-54981 [0,0,0,1,0,1|2,0,0]=4 168 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,0,0,1,0,1|1,1,0]=4 169 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,1,0,1|2,0,0]=4 170 B7R1.2 O=C1CCC(O1)=O AK139125 [0,0,0,1,0,1|0,0,0]=2 171 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,1,0,1|0,0,1]=3 172 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,0,0,1,0,1|1,0,1]=4 173 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,0,0,1,0,1|1,1,0]=4 174 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,1,0,1|0,0,0]=2 175 B7R1.2 O=C1NC(CN1)=O AK307300 [0,0,0,1,0,1|1,0,0]=3 176 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,0,0,1,0,1|1,0,0]=3 177 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,0,0,1,0,1|2,0,0]=4 178 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,0,0,1,0,1|1,0,1]=4 179 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,1,0,1|1,0,0]=3 180 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,1,0,1|1,0,1]=4 181 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,0,0,1,0,1|1,0,0]=3 182 B7R1.4 CC1=C(C)N=CN1 AK157739 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.4 CC1=C(C)N=CS1 AK-46395 [0,1,0,1,0,0|1,1,0]=4 184 B7R1.4 CC1=CNN=C1C AK111434 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.4 CC1=CNN=C1C AK117330 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.4 CC1=CSC=C1C AK-45919 [0,1,0,1,0,0|1,1,0]=4 187 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|0,1,1]=4 188 B7R1.4 NN1CCCC1=O AK-78653 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,1,0,0|1,0,1]=4 190 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,1,0,0|1,0,1]=4 191 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,1,0,0|1,0,1]=4 192 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,1,0,0|0,0,1]=3 194 B7R1.4 O=C1CC=NN1C AK128438 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.4 O=C1NCCN1C AK-78526 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,1,0,1,0,0|0,0,2]=4 197 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,1,0,1,0,0|1,0,1]=4 198 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,1,0,1,0,0|0,0,2]=4 199 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,1,0,0|0,0,2]=4 201 B7R1.4 OC1CCNC1=O AK-39164 [0,1,0,1,0,0|0,0,2]=4 202 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,0,0,0,0,2|1,0,0]=3 203 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,0,0,0,0,2|1,0,0]=3 204 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,0,0,0,2|1,0,1]=4 205 B7R0.6 O=C(NNC(N)=S)C AK172993 [0,0,0,0,0,2|1,1,0]=4 206 B7R0.6 O=C(O)\C=C/C(N)=O AK169998 [0,0,0,0,0,2|2,0,0]=4 207 B7R0.6 O=C(O)\C=C\C(O)=O AK115563 [0,0,0,0,0,2|2,0,0]=4 208 B7R0.6 O=C([O-])CCC([O-])=O AK397848 [0,0,0,0,0,2|2,0,0]=4