0 B6R0.1 C#CCC(OC)=O AK-93397 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 C(C(NC)=O)C#N AK-35938 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCCC(NN)=O AK-95909 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 O=C(NCC)CN AK-65785 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 O=C(NN)COC AK110451 [0,0,0,0,0,0|2,1,0]=3 5 B6R0.1 O=C(OC)C#CBr AK122774 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 O=C(OC)CCBr AK-91613 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 O=C(OC)CCN AK-46776 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 O=C(OC)CCO AK-83355 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 O=C(OC)CNC AK-58375 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.1 O=C(OC)OCC AK397345 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 O=C(OCC)CO AK-98662 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 C#CCC(O)=O AK106962 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 C(C#N)C(N)=O AK-73131 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 CC#CC(O)=O AK-49957 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CCCB(O)O AK-47948 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(N)=O AK-90265 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 C[C@@H](N)COC AK-72611 [1,0,0,0,0,0|1,1,1]=4 21 B5R0.1 C[C@H](N)CCC AK171191 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 N=C(N)COC AK-86295 [1,0,0,0,0,0|2,1,0]=4 23 B5R0.1 NCCC(N)=O AK-26218 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 NCCC(O)=O AK-41261 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 NOCC(C)=C AK550273 [1,0,0,0,0,0|2,1,0]=4 26 B5R0.1 O=C(N)CSC AK-34209 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 O=P(CCN)O AK477259 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.2 N#CCCOC AK-46138 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 NOCCCC AK-85835 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 C=CC(NC)=O AK115593 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.3 CCC(CN)=O AK-38468 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 CCC(CO)=O AK149491 [1,0,0,0,0,0|1,1,0]=3 33 B5R0.3 CNC(=O)CCl AK-82796 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.3 C[C@@H](OC)CN AK153940 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 NCC(OC)=O AK-43994 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.3 NNC(=O)CO AK-89508 [1,0,0,0,0,0|2,1,0]=4 37 B5R0.3 NNC(OC)=O AK109362 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.3 O=C(CO)CO AK-46682 [1,0,0,0,0,0|2,1,0]=4 39 B5R0.3 O=C(OC)CO AK-98661 [1,0,0,0,0,0|0,1,0]=2 40 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 CCCCC(NN)=O AK114657 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.3 COC(=O)CNC=O AK111067 [0,1,0,0,0,0|1,0,1]=3 48 B7R0.3 O=C(OC)CCCBr AK-94853 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.3 O=C(OC)CCNC AK-85857 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.7 C(OC)C(O)COC AK-46679 [0,1,0,0,0,0|0,1,2]=4 57 B7R0.7 CC#CC(OCC)=O AK-44989 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.7 CCOC(=O)CCBr AK-76993 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.7 CCOC(=O)CCO AK-41251 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.7 NC(COC)COC AK-79017 [0,1,0,0,0,0|1,1,1]=4 61 B7R0.7 O=C(COC)COC AK116819 [0,1,0,0,0,0|0,1,0]=2 62 B7R0.7 O=C(NCC)NCC AK116700 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.7 O=C(OCC)C#CBr AK127753 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.7 O=C(OCC)CCN AK-49791 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.7 O=C(OCC)CNC AK-44190 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.7 O=C(OCC)CNN AK-50556 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.7 O=C(OCC)OCCl AK128867 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.10 CCC(N(OC)C)=O AK130253 [0,1,0,0,0,0|2,1,0]=4 70 B7R0.10 CCC(N)C(OC)=O AK115477 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.10 COC(O)C(=O)OC AK-33946 [0,1,0,0,0,0|0,1,0]=2 75 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.10 O=C(OC)C(Br)CO AK142725 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.10 O=C(OC)C(N)CO AK-44174 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.1 COC1=CSC=C1 AK-60944 [0,0,0,1,0,0|1,0,2]=4 87 B7R1.1 COC1=NCCC1 AK-49858 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.1 COC1CNCC1 AK-33180 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.1 CO[C@H]1CNCC1 AK-35279 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 FC1COC(=O)O1 AK111108 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.3 CC1CNCCO1 AK100672 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.3 O=C1CCCCO1 AK101117 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.3 O=C1CCCOC1 AK-32516 [0,0,0,1,0,0|1,1,0]=3 110 B7R1.3 O=C1CCOCC1 AK-25731 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.3 O=C1CCSCC1 AK-25499 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.3 O=C1COCC=C1 AK120133 [0,0,0,1,0,0|1,1,1]=4 115 B7R1.3 O=C1COCCN1 AK-37649 [0,0,0,1,0,0|1,1,0]=3 116 B7R1.3 O=C1CSCCC1 AK112945 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.3 O=C1NCCCN1 AK-40132 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.3 O=C1NCCNC1 AK-26132 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.3 O=C1NCCSC1 AK-94004 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.3 O=C1OCCOC1 AK117129 [0,0,0,1,0,0|0,1,0]=2 122 B7R1.3 O=S1OCCCO1 AK307879 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.4 CC1CSCC1=O AK104742 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.4 NN1CCCC1=O AK-78653 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.4 O=C1CC=NN1C AK128438 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.4 O=C1NCCN1C AK-78526 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.4 S=C1N(C)CCC1 AK308101 [0,0,0,1,0,0|2,1,0]=4 128 B4R0.1 C(N)C(=O)C AK-42698 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.1 CCB(O)O AK-25979 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 CCC(N)=N AK-48186 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 N=C(N)OC AK-48234 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.1 N=C(N)SC AK-44125 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 NC(=O)CI AK110349 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 NC(OC)=N AK116935 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 NCC(N)=O AK-41459 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 O=C(N)CBr AK-50036 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 O=C(O)CN AK-77854 [2,0,0,0,0,0|1,0,0]=3 138 B4R0.1 O=C([O-])CN AK114167 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.2 C(C(=O)O)N(C)C AK-41194 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.2 CC(NC(C)C)=O AK-86542 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [1,1,0,0,0,0|1,0,0]=3 144 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [1,1,0,0,0,0|1,0,0]=3 148 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.2 O=C([O-])C[S+](C)C AK543883 [1,1,0,0,0,0|0,0,2]=4 150 B6R0.2 OC(=O)CC(O)=O AK-98172 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.3 C(C(C(O)=O)N)O AK-46543 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.3 C(C(N)C(O)=O)C AK-46591 [1,1,0,0,0,0|1,0,0]=3 154 B6R0.3 C(S)C(N)C(O)=O AK-73021 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.3 CC(C#N)C(O)=O AK544214 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.3 CC(N(CC)C)=O AK149250 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.3 CCC(=O)C(O)=O AK-48379 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 COC(C)C(O)=O AK-49797 [1,1,0,0,0,0|0,1,0]=3 164 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.3 C[C@H](NC)C(O)=O AK134597 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.3 C[C@H](OC)C(O)=O AK167072 [1,1,0,0,0,0|0,1,0]=3 167 B6R0.3 C\C=C(O)\C(O)=O AK149482 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.3 NC(CO)C(O)=O AK-41368 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.3 O=C(O)C(C)CBr AK116257 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.3 O=C(O)C(N)CN AK-44800 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.3 O=C(O)C(O)CO AK114312 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.3 O=C(O)[C@H](N)CS AK175126 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.4 CC(OCCBr)=O AK165045 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.4 CCCCC([O-])=O AK163205 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.4 NC(OCCC)=O AK116320 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.4 O=C(O)CCC#N AK-47909 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.4 O=C(O)CCCCl AK113749 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 O=C(O)CCCN AK-43987 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.4 O=C(O)CCNC AK155866 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.4 O=C(O)CCOC AK-88477 [1,1,0,0,0,0|0,1,0]=3 191 B6R0.4 OC(=O)CCC#C AK-32594 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.4 OCNCC(=O)[O-] AK-79027 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.6 C\C=C\CCCO AK-46431 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.8 CCS(=O)(OC)=O AK544583 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.9 COC(OC)C=O AK-65152 [1,1,0,0,0,0|0,1,1]=4 196 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [0,2,0,0,0,0|1,0,0]=3 198 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [0,2,0,0,0,0|1,0,0]=3 199 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [0,2,0,0,0,0|1,0,0]=3 200 B8R0.2 CC(O)C(N)C(OC)=O AK-77084 [0,2,0,0,0,0|1,0,0]=3 201 B8R0.2 C[C@@H](O)[C@@H](N)C(OC)=O AK162652 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.2 C[C@H](O)[C@H](N)C(OC)=O AK-90375 [0,2,0,0,0,0|1,0,0]=3 203 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [0,2,0,0,0,0|1,0,0]=3 204 B8R0.2 N[C@@H]([C@H](O)C)C(OC)=O AK-49761 [0,2,0,0,0,0|1,0,0]=3 205 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,2,0,0,0,0|1,0,0]=3 207 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,2,0,0,0,0|2,0,0]=4 208 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.5 O=C(OCC)CC(N)=S AK109338 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,2,0,0,0,0|2,0,0]=4 211 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,2,0,0,0,0|1,0,0]=3 212 B8R0.16 O=C\C(OC)=C/N(C)C AK-25392 [0,2,0,0,0,0|1,0,1]=4 213 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,2,0,0,0,0|1,0,0]=3 214 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,2,0,0,0,0|2,0,0]=4 215 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,2,0,0,0,0|1,0,0]=3 216 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.24 O=C(OC)CS(=O)(C)=O AK307503 [0,2,0,0,0,0|0,0,1]=3 219 B8R0.1 CCOC(=O)CCCI AK102411 [0,2,0,0,0,0|1,0,0]=3 220 B8R0.1 CCOC(=O)CCCN AK-47111 [0,2,0,0,0,0|1,0,0]=3 221 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,2,0,0,0,0|1,0,0]=3 222 B8R0.3 C=CCC(N)C(OC)=O AK164017 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.3 CCOC(=O)C(N)CO AK-81620 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [0,2,0,0,0,0|0,1,0]=3 230 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.6 O=C(OC)CCCCBr AK-88540 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.6 O=C(OC)CCCCN AK112995 [0,2,0,0,0,0|1,0,0]=3 233 B8R0.6 O=C(OC)CCCOC AK151485 [0,2,0,0,0,0|0,1,0]=3 234 B8R0.6 O=C(OC)COCCCl AK-44958 [0,2,0,0,0,0|0,1,0]=3 235 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [0,2,0,0,0,0|1,0,1]=4 237 B8R0.9 O=C(O)CNC(OC)=O AK158445 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.9 O=S(CCC(OC)=O)[O-] AK115883 [0,2,0,0,0,0|1,0,1]=4 239 B8R0.13 CC(C)(C#N)C(OC)=O AK-79194 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.13 COC(=O)C(C)(C)CN AK-70233 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.13 O=C(OC)C(C)(C)C=O AK127559 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.13 O=C(OC)C(C)(C)CO AK-54556 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.20 O=C(OC)C(CN)CN AK126755 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.20 O=C(OC)C(OC)OC AK-47134 [0,2,0,0,0,0|0,1,0]=3 245 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,1,0,0|1,0,0]=3 246 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,1,0,0|0,1,0]=3 247 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,1,0,0|0,0,0]=2 248 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,1,0,0|2,0,0]=4 249 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,1,0,0|1,1,0]=4 250 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,1,0,0|1,0,1]=4 251 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.5 NC1CC(=O)C1 AK-41683 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.1 C1CSCCN1 AK110355 [1,0,0,1,0,0|1,0,1]=4 256 B6R1.1 N1CCOCC1 AK116221 [1,0,0,1,0,0|1,0,1]=4 257 B6R1.1 O1NCCCC1 AK156568 [1,0,0,1,0,0|2,0,0]=4 258 B6R1.6 COC1CNC1 AK-30498 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,1,0,1,0,0|0,0,1]=3 268 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,1,0,1,0,0|1,1,0]=4 272 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,1,0,1,0,0|1,1,0]=4 273 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.5 NC1CCCNC1=O AK-32522 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.5 O=C1N(C)CCNC1 AK-38983 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.5 O=C1NCCCC1N AK-58866 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.22 C=C1OCCCCO1 AK154780 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.22 O=C1CNCCCN1 AK-94980 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.22 O=C1NCCNCC1 AK-25582 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.22 O=C1NCCOCC1 AK158455 [0,1,0,1,0,0|1,1,0]=4 303 B8R1.22 O=C1OCCCCC1 AK164169 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.38 N1CC(C1)C(=O)OC AK-38972 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.38 O=C(C1NCC1)OC AK-83806 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.50 CN1C(=O)CSC1=O AK-63992 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.39 COC(=O)C1(O)CC1 AK-40246 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.39 O=C(C1(Br)CC1)OC AK-67722 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.39 O=C(C1(N)CC1)OC AK-30458 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.39 O=C(C1(N)CC1)OC AK-32434 [0,1,0,1,0,0|1,0,0]=3 315 B8R1.72 O=S1(CCCCO1)=O AK-49451 [0,1,0,1,0,0|2,0,0]=4