0 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 CC(C#N)C(O)=O AK544214 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 CC(N(CC)C)=O AK149250 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.3 COC(C)C(O)=O AK-49797 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,0,0,0,0,0|1,0,1]=2 16 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 NC(CO)C(O)=O AK-41368 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.3 O=C(O)C(C)CBr AK116257 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.3 O=C(O)C(N)CN AK-44800 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.3 O=C(O)C(O)CO AK114312 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.3 O=C([O-])C(OC)=O AK670985 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 C#CCC(O)=O AK106962 [1,0,0,0,0,0|0,0,3]=4 33 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 CC#CC(O)=O AK-49957 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.1 CNCC(N)=O AK-90265 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 NCCC(O)=O AK-41261 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 O=C(N)CSC AK-34209 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 C=CC(NC)=O AK115593 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.3 CCC(CO)=O AK149491 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.3 O=C(OC)CO AK-98661 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.5 C(C(=O)O)(=O)O AK-40231 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.5 C=C(F)C(O)=O AK107642 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.5 CC(B(O)O)C AK-46096 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.5 CC(C)C(N)=O AK-80490 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.5 CC(O)C([O-])=O AK114515 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.5 C[C@H](N)C(N)=O AK-46287 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.5 O=C(O)C(O)=O AK116416 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.5 O=C([O-])C([O-])=O AK112218 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.5 COCC(N)C(O)=O AK-87739 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.5 NC(CCO)C(O)=O AK-41514 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.5 O=C(O)C(N)CCN AK-44002 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.5 O=C(O)C(O)CCN AK-75839 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.10 CCC(N(OC)C)=O AK130253 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.10 CCC(N)C(OC)=O AK115477 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.10 COC(O)C(=O)OC AK-33946 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.10 CON(C)C(=O)CCl AK-36069 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.13 BrC[C@](C(=O)O)(C)O AK-34422 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.13 C#CC(C)(C)C(O)=O AK114304 [0,1,0,0,0,0|0,0,3]=4 87 B7R0.13 CC(C)(C=C)C(O)=O AK-80488 [0,1,0,0,0,0|0,0,2]=3 88 B7R0.13 CC(C)(CF)C(O)=O AK-77531 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.13 CCC(C)(C)C(O)=O AK-54450 [0,1,0,0,0,0|0,0,2]=3 90 B7R0.13 N[C@@](C(O)=O)(CC)C AK-81295 [0,1,0,0,0,0|0,0,2]=3 91 B7R0.13 N[C@](C(O)=O)(CC)C AK-81168 [0,1,0,0,0,0|0,0,2]=3 92 B7R0.13 N[C@](CO)(C)C(O)=O AK-33622 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.13 O=C(O)C(C)(C)CO AK113909 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.15 CC(N(CC)CC)=O AK105973 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.15 CCC(CC)C([O-])=O AK161891 [0,1,0,0,0,0|0,0,3]=4 96 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,1,0,0,0,0|0,0,2]=3 99 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.16 NC(C(O)=O)C(O)=O AK-49231 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,1,0,0,0,0|1,0,2]=4 110 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [0,0,0,1,0,0|1,1,1]=4 111 B7R1.4 CC1=C(Br)C=NO1 AK112982 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.4 CC1=CNN=C1C AK111434 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.4 CC1=CNN=C1C AK117330 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.4 CC1=CSC=C1Br AK-34597 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.4 CC1=CSC=C1C AK-45919 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,0,0,1,0,0|1,0,2]=4 117 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,0,0,1,0,0|1,0,2]=4 119 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.4 O=C1NC=CN1C AK317267 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.4 O=C1NCCN1C AK-78526 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.4 O=C1OCCC1N AK543042 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.12 O=C(C1C(F)C1)O AK-73995 [0,0,0,1,0,0|1,0,2]=4 125 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.18 C(=O)(C1OCC1)O AK-38212 [0,0,0,1,0,0|1,0,1]=3 128 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [0,0,0,1,0,0|1,0,1]=3 129 B7R1.18 O=C(C1CCC1)N AK117552 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.18 O=C(C1CNC1)O AK-21934 [0,0,0,1,0,0|1,0,2]=4 131 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [0,0,0,1,0,0|1,0,1]=3 132 B7R1.18 OC(=O)C1CCN1 AK-27256 [0,0,0,1,0,0|1,0,1]=3 133 B7R1.19 O=C(C1(C)CC1)N AK-86702 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.19 O=C(C1(CC1)N)O AK-26748 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.19 OC(=O)C1(Br)CC1 AK-81458 [0,0,0,1,0,0|1,0,2]=4 136 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,0,0,0,0,1|1,0,2]=4 137 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,0,0,0,0,1|1,0,2]=4 138 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,0,0,0,0,1|1,0,2]=4 139 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,0,0,0,0,1|2,0,0]=3 140 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,0,0,0,0,1|3,0,0]=4 141 B4R0.1 C(N)C(=O)C AK-42698 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.1 C=CC([O-])=O AK160082 [2,0,0,0,0,0|0,0,1]=3 143 B4R0.1 C\C(N)=N\O AK-91616 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.1 O=C(O)CN AK-77854 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.1 ONC(C)C AK117015 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.1 O=C(OC)CNC AK-58375 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.1 O=C(OC)OCC AK397345 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.1 O=C(OC)\C=C\I AK-49986 [1,1,0,0,0,0|1,0,0]=3 149 B6R0.1 O=C(OCC)CO AK-98662 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.2 C(C(=O)O)N(C)C AK-41194 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [1,1,0,0,0,0|0,0,2]=4 153 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [1,1,0,0,0,0|0,0,2]=4 155 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [1,1,0,0,0,0|0,0,2]=4 156 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [1,1,0,0,0,0|0,0,2]=4 157 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [1,1,0,0,0,0|0,0,0]=2 158 B6R0.2 OC(=O)CC(O)=O AK-98172 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 O=C(O)CCCCl AK113749 [1,1,0,0,0,0|0,0,2]=4 160 B6R0.4 O=C(O)CCCN AK-43987 [1,1,0,0,0,0|0,0,2]=4 161 B6R0.4 O=C(O)CCNC AK155866 [1,1,0,0,0,0|0,0,2]=4 162 B6R0.4 O=C(O)CCOC AK-88477 [1,1,0,0,0,0|0,0,2]=4 163 B6R0.9 COC(OC)C=O AK-65152 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.7 CC(C(O)=O)(C)N AK-47379 [1,1,0,0,0,0|0,0,1]=3 165 B6R0.7 CC(C)(Br)C(N)=O AK-65163 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.7 CC(C)(C)C([O-])=O AK160916 [1,1,0,0,0,0|0,0,2]=4 167 B6R0.7 CC(C)(C)C([O-])=O AK311585 [1,1,0,0,0,0|0,0,2]=4 168 B6R0.7 CC(C)(O)C(N)=O AK-57348 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.7 CC(F)(F)C(O)=O AK109307 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.7 O=C(N)C(C)(C)C AK208951 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.7 O=C([O-])C(C)(C)C AK208709 [1,1,0,0,0,0|0,0,2]=4 172 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,1,0,0,0,1|0,0,2]=4 173 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,1,0,0,0,1|0,0,2]=4 174 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [0,1,0,0,0,1|1,0,1]=4 175 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,1,0,0,0,1|1,0,1]=4 176 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [0,1,0,0,0,1|1,0,0]=3 177 B8R0.23 O=C(O)C(C)CC(O)=O AK114636 [0,1,0,0,0,1|1,0,1]=4 178 B8R0.23 O=C(O)CN(C)C(N)=N AK113717 [0,1,0,0,0,1|2,0,0]=4 179 B8R0.23 O=C(O)CN(C)C(N)=N AK158914 [0,1,0,0,0,1|2,0,0]=4 180 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,2,0,0,0,0|1,0,1]=4 181 B8R0.12 C=CCC(C)(C)C(O)=O AK-33579 [0,2,0,0,0,0|0,0,2]=4 182 B8R0.13 O=C(OC)C(C)(C)C=O AK127559 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.20 O=C(OC)C(OC)OC AK-47134 [0,2,0,0,0,0|1,0,1]=4 184 B8R0.36 CCC(CC)(N)C(O)=O AK-90432 [0,2,0,0,0,0|0,0,2]=4 185 B8R0.37 CC(C(O)=O)(C(O)=O)C AK-46713 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.37 CC(C)[C@@](C)(N)C(O)=O AK163535 [0,2,0,0,0,0|0,0,2]=4 187 B8R0.18 CC(C)[C@@H](C(O)=O)NC AK509708 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.18 CC(C)[C@@H](CN)C(O)=O AK119228 [0,2,0,0,0,0|0,0,2]=4 189 B8R0.18 CC(C)[C@@H](NC)C(O)=O AK-89028 [0,2,0,0,0,0|0,0,2]=4 190 B8R0.18 CC(C)[C@H](CN)C(O)=O AK119232 [0,2,0,0,0,0|0,0,2]=4 191 B8R0.18 C[C@@H](O)[C@@H](C(O)=O)NC AK307143 [0,2,0,0,0,0|0,0,2]=4 192 B6R1.2 NC1=CC=NO1 AK-46390 [1,0,0,1,0,0|2,0,0]=4 193 B6R1.2 O=C1NNC=C1 AK-58738 [1,0,0,1,0,0|2,0,0]=4 194 B6R1.2 O=C1NSC=C1 AK101140 [1,0,0,1,0,0|2,0,0]=4 195 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,1,0,0|0,0,0]=2 196 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,1,0,0|1,0,1]=4 197 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.2 OC1=NNC=C1 AK-96005 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.1 O=C1NCC(OC)=C1 AK142161 [0,0,0,1,0,1|2,0,0]=4 200 B8R1.4 C1=C(C=NC=C1O)C AK-25962 [0,0,0,1,0,1|2,0,0]=4 201 B8R1.4 CC1=CC(NN=C1)=O AK-39857 [0,0,0,1,0,1|2,0,0]=4 202 B8R1.4 CC1=NC(O)=NC=C1 AK-24705 [0,0,0,1,0,1|1,0,1]=4 203 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,1,0,1|1,0,1]=4 204 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,0,0,1,0,1|1,0,1]=4 205 B8R1.4 OC1=NC(C)=CN=C1 AK-26663 [0,0,0,1,0,1|2,0,0]=4 206 B8R1.4 OC1=NC=CC(C)=C1 AK-33151 [0,0,0,1,0,1|1,0,1]=4 207 B8R1.18 BrC1=NC(=C(S1)C)C AK-40981 [0,0,0,1,0,1|1,1,0]=4 208 B8R1.18 CC1=C(C)N=C(N)S1 AK-34230 [0,0,0,1,0,1|1,1,0]=4 209 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,0,0,1,0,1|0,0,0]=2 210 B8R1.18 CC1=NC(C)=C(C)S1 AK-58544 [0,0,0,1,0,1|1,1,0]=4 211 B8R1.18 NC1=NC(C)=C(C)S1 AK-93474 [0,0,0,1,0,1|1,1,0]=4 212 B8R1.18 O=C1C(Br)=CC(O1)=O AK-43651 [0,0,0,1,0,1|2,0,0]=4 213 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,0,0,1,0,1|1,0,1]=4 214 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,0,0,1,0,1|1,0,1]=4 215 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,0,0,1,0,1|1,0,1]=4 216 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,0,0,1,0,1|0,0,2]=4 217 B8R1.5 CC1=C(O)C=NC=C1 AK-29776 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.5 CC1=CC=CN=C1O AK-75629 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.5 CC1=CC=CNC1=O AK-32442 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.5 CC1=CC=NNC1=O AK-28464 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.5 CC1=CN=CN=C1O AK-27176 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.5 O=C1C(C)=NC=CN1 AK-24748 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.5 O=C1C(O)=CC=CO1 AK-77266 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.5 OC1=CC=CN=C1C AK-29777 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.7 C1=COC=C1C(O)=O AK-32276 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,1,0,1,0,0|0,0,2]=4 231 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,1,0,1,0,0|0,0,2]=4 232 B8R1.7 O1N=CC(=N1)C(=O)O AK-32069 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [0,1,0,1,0,0|0,0,2]=4 234 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [0,1,0,1,0,0|0,0,2]=4 235 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,1,0,1,0,0|0,0,0]=2 238 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.7 O=C(C1=COC=N1)O AK-29026 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [0,1,0,1,0,0|0,0,2]=4 241 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.7 O=C(C1CC=CC1)O AK-36334 [0,1,0,1,0,0|0,0,2]=4 245 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,1,0,1,0,0|0,0,2]=4 246 B8R1.7 O=C(C1COCC1)O AK-44786 [0,1,0,1,0,0|0,0,2]=4 247 B8R1.7 O=C(C1NCOC1)O AK118758 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.7 O=C(C1SCCN1)O AK-50392 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,1,0,1,0,0|0,0,2]=4 251 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [0,1,0,1,0,0|0,0,2]=4 252 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [0,1,0,1,0,0|0,0,2]=4 253 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [0,1,0,1,0,0|0,0,2]=4 255 B8R1.7 OB(C1=CCCC1)O AK-61970 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.23 O=C(C1CC(N1)=O)O AK-40842 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [0,1,0,1,0,0|0,0,2]=4 269 B8R1.23 O=C([C@H]1C[C@@H](N)C1)O AK-29496 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [0,1,0,1,0,0|0,0,2]=4 272 B8R1.23 O=C1CC(C1)C(=O)O AK-25641 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.78 NC1(CCC1)C(=O)O AK-40099 [0,1,0,1,0,0|0,0,2]=4 275 B8R1.78 O=C(C1(C)CCC1)O AK-78655 [0,1,0,1,0,0|0,0,2]=4 276 B8R1.78 O=C(C1(C)COC1)O AK-57023 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.11 CSC1=C(C)OC=C1 AK307519 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.25 O=C1C(C(O)=C1O)=O AK-34541 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.38 O=C(C1NCC1)OC AK-83806 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.50 CC1=C(Br)C(C)=NO1 AK-40049 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.50 CC1=C(C)C(N)=NN1 AK-36836 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.50 CC1=C(ON=C1N)C AK-27780 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.50 CC1=NOC(=C1I)C AK-32755 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,1,0,0|0,0,1]=3 286 B8R1.50 CN1C(=O)CSC1=O AK-63992 [0,1,0,1,0,0|1,1,0]=4 287 B8R1.50 NC1=C(C)ON=C1C AK114014 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [0,1,0,1,0,0|0,0,2]=4 289 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [0,1,0,1,0,0|0,0,2]=4 290 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [0,0,0,0,0,2|2,0,0]=4 291 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,0,0,0,0,2|0,0,1]=3 292 B8R0.9 O=C(O)CNC(OC)=O AK158445 [0,0,0,0,0,2|2,0,0]=4 293 B8R0.9 O=C(O)\C=C\C(OC)=O AK114632 [0,0,0,0,0,2|2,0,0]=4