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[1,0,0,0,0,0|2,0,0]=3 25 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|2,1,0]=4 26 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|2,1,0]=4 27 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,0,0,0,0,0|3,0,0]=4 28 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,0,0,0,0,0|3,0,0]=4 29 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|2,0,0]=3 31 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,0,0,0,0,0|3,0,0]=4 33 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,0,0,0,0,0|3,0,0]=4 35 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|3,0,0]=4 45 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|3,0,0]=4 46 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,0,0,0,0,0|2,0,0]=3 56 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,0,0,0,0,0|2,0,0]=3 57 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,0,0,0,0,0|2,1,0]=4 58 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,0,0,0,0,0|2,1,0]=4 59 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,0,0,0,0,0|3,0,0]=4 60 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,0,0,0,0,0|2,0,0]=3 63 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [1,0,0,0,0,0|3,0,0]=4 65 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [1,0,0,0,0,0|3,0,0]=4 67 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|3,0,0]=4 68 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,0,0,0,0,0|3,0,0]=4 69 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.46 C=C[C@H](N)COCCCO 34a_100016989147_100000230001 [1,0,0,0,0,0|2,1,0]=4 73 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [1,0,0,0,0,0|2,0,1]=4 81 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [1,0,0,0,0,0|2,1,0]=4 82 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [1,0,0,0,0,0|2,1,0]=4 83 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [1,0,0,0,0,0|2,0,0]=3 87 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [1,0,0,0,0,0|3,0,0]=4 91 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [1,0,0,0,0,0|2,1,0]=4 92 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [1,0,0,0,0,0|2,1,0]=4 96 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [1,0,0,0,0,0|1,1,0]=3 97 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [1,0,0,0,0,0|2,0,0]=3 99 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [1,0,0,0,0,0|2,0,1]=4 101 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,1,0,0,0,0|3,0,0]=4 102 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,1,0,0,0,0|3,0,0]=4 103 B11R0.29 CC(O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012276601 [0,1,0,0,0,0|2,1,0]=4 104 B11R0.42 CC(=O)C(C)NCCSCCO 2230a_100011219999_100009814033 [0,1,0,0,0,0|3,0,0]=4 105 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,1,0,0,0,0|3,0,0]=4 106 B11R0.42 CC(NCCSCCO)C(=O)N 2230a_100011219999_100000702099 [0,1,0,0,0,0|3,0,0]=4 107 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,1,0,0,0,0|3,0,0]=4 108 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,1,0,0,0,0|3,0,0]=4 109 B11R0.42 COCCCOC[C@H](N)C(=O)N 34a_100000729942_100000740836 [0,1,0,0,0,0|2,1,0]=4 110 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,1,0,0,0,0|3,0,0]=4 111 B11R0.42 C[C@H](NCCOCCO)C(=O)O 269956a_100000743915_100011215305 [0,1,0,0,0,0|2,1,0]=4 112 B11R0.42 NC(=O)C(F)NCCSCCO 2230a_100011219999_100009813875 [0,1,0,0,0,0|3,0,0]=4 113 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [0,1,0,0,0,0|2,1,0]=4 114 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,1,0,0,0,0|3,0,0]=4 115 B11R0.109 CC(CNCC(O)CO)C(=O)O 269956a_100000749485_100011219619 [0,1,0,0,0,0|3,0,0]=4 116 B11R0.109 CC(CNC[C@@H](C)CO)C(=O)O 269956a_100000749485_100000059175 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.109 CC(CNC[C@@H](O)CO)C(=O)O 269956a_100000749485_100009815848 [0,1,0,0,0,0|3,0,0]=4 118 B11R0.109 C[C@@H](CO)CNCC(F)C(=O)O 269956a_100000084737_100000059175 [0,1,0,0,0,0|3,0,0]=4 119 B11R0.109 C[C@@H](CO)COC[C@H](N)C(=O)N 34a_100000729942_100000059175 [0,1,0,0,0,0|2,1,0]=4 120 B11R0.109 NC(=O)[C@@H](N)COCC(O)CO 34a_100000729942_100011219619 [0,1,0,0,0,0|2,1,0]=4 121 B11R0.109 NC(=O)[C@@H](N)COC[C@@H](O)CO 34a_100000729942_100009815848 [0,1,0,0,0,0|2,1,0]=4 122 B11R0.109 O=C(O)C(F)CNCC(O)CO 269956a_100000084737_100011219619 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.109 O=C(O)C(F)CNC[C@@H](O)CO 269956a_100000084737_100009815848 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.125 CC(C)(CNCCCO)C(=O)O 269956a_100000693527_100011215043 [0,1,0,0,0,0|3,0,0]=4 125 B11R0.125 CC(C)(CSCCCO)C(=O)N 62a_100011215043_200009895572 [0,1,0,0,0,0|3,0,0]=4 126 B11R0.125 CC(C)(CSCCCO)C(=O)N 62a_200009895572_100011215043 [0,1,0,0,0,0|3,0,0]=4 127 B11R0.125 O=C(O)C(F)(F)CNCCCO 269956a_100000734215_100011215043 [0,1,0,0,0,0|3,0,0]=4 128 B11R0.139 C[C@@H](OCCCO)[C@H](N)C(=O)N 34a_100000003557_100000230001 [0,1,0,0,0,0|2,1,0]=4 129 B11R0.141 CC(CCO)NCC(C)C(=O)O 269956a_100000749485_100009893172 [0,1,0,0,0,0|3,0,0]=4 130 B11R0.141 CC(CCO)NCC(F)C(=O)O 269956a_100000084737_100009893172 [0,1,0,0,0,0|3,0,0]=4 131 B11R0.141 CC(CCO)OC[C@H](N)C(=O)N 34a_100000729942_100009893172 [0,1,0,0,0,0|2,1,0]=4 132 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100009813391_100011215043 [0,1,0,0,0,0|2,0,1]=4 133 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100011215043_100009813391 [0,1,0,0,0,0|2,0,1]=4 134 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,1,0,0,0,0|2,1,0]=4 135 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,1,0,0,0,0|3,0,0]=4 136 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,1,0,0,0,0|3,0,0]=4 137 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,1,0,0,0,0|3,0,0]=4 138 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,1,0,0,0,0|3,0,0]=4 139 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011215043_100011610305 [0,1,0,0,0,0|2,0,1]=4 140 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011610305_100011215043 [0,1,0,0,0,0|2,0,1]=4 141 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [0,1,0,0,0,0|3,0,0]=4 142 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [0,1,0,0,0,0|3,0,0]=4 145 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [0,1,0,0,0,0|2,0,0]=3 146 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [0,1,0,0,0,0|2,0,0]=3 147 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [0,1,0,0,0,0|2,1,0]=4 148 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [0,1,0,0,0,0|2,1,0]=4 149 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [0,1,0,0,0,0|3,0,0]=4 150 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [0,1,0,0,0,0|3,0,0]=4 151 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [0,1,0,0,0,0|2,0,0]=3 152 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [0,1,0,0,0,0|2,0,0]=3 153 B11R0.142 COC(=O)C(F)COCCCO 34a_200009849844_100000230001 [0,1,0,0,0,0|2,1,0]=4 154 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,1,0,0,0,0|2,1,0]=4 155 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,1,0,0,0,0|1,1,0]=3 156 B11R0.142 NNC(=O)C(N)COCCCO 34a_100016989258_100000230001 [0,1,0,0,0,0|2,1,0]=4 157 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,0,0,1,0,0|3,0,0]=4 158 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,0,0,1,0,0|3,0,0]=4 159 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 269956a_100000738708_100000211926 [0,0,0,1,0,0|3,0,0]=4 160 B11R1.333 CC(CNCC1CO1)C(=O)O 269956a_100000749485_102125554688 [0,0,0,1,0,0|3,0,0]=4 161 B11R1.333 CC(CNC[C@@H]1CO1)C(=O)O 269956a_100000749485_100000745022 [0,0,0,1,0,0|3,0,0]=4 162 B11R1.333 NC(=O)[C@@H](N)COCC1CO1 34a_100000729942_102125554688 [0,0,0,1,0,0|2,1,0]=4 163 B11R1.333 O=C(O)C(F)CNCC1CO1 269956a_100000084737_102125554688 [0,0,0,1,0,0|3,0,0]=4 164 B11R1.333 O=C(O)C(F)CNC[C@@H]1CO1 269956a_100000084737_100000745022 [0,0,0,1,0,0|3,0,0]=4 165 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [0,0,0,0,0,1|3,0,0]=4 166 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [2,0,0,0,0,0|2,0,0]=4 167 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [2,0,0,0,0,0|2,0,0]=4 168 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [2,0,0,0,0,0|2,0,0]=4 169 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [2,0,0,0,0,0|2,0,0]=4 170 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|2,0,0]=4 171 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|2,0,0]=4 172 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [2,0,0,0,0,0|2,0,0]=4 173 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [2,0,0,0,0,0|2,0,0]=4 174 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [2,0,0,0,0,0|2,0,0]=4 175 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [2,0,0,0,0,0|1,0,0]=3 176 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [2,0,0,0,0,0|1,0,0]=3 177 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [2,0,0,0,0,0|1,0,1]=4 178 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [2,0,0,0,0,0|1,0,1]=4 179 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [2,0,0,0,0,0|1,0,1]=4 180 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [2,0,0,0,0,0|2,0,0]=4 181 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [2,0,0,0,0,0|2,0,0]=4 182 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|2,0,0]=4 183 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|2,0,0]=4 184 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|1,1,0]=4 185 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|1,1,0]=4 186 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|1,1,0]=4 187 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|1,1,0]=4 188 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [2,0,0,0,0,0|2,0,0]=4 189 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [2,0,0,0,0,0|2,0,0]=4 190 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|1,0,0]=3 191 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|1,0,0]=3 192 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [2,0,0,0,0,0|2,0,0]=4 193 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [2,0,0,0,0,0|2,0,0]=4 194 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [2,0,0,0,0,0|1,0,1]=4 195 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [2,0,0,0,0,0|1,0,1]=4 196 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [2,0,0,0,0,0|2,0,0]=4 197 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [2,0,0,0,0,0|2,0,0]=4 198 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|2,0,0]=4 199 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|2,0,0]=4 200 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 201 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 202 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|2,0,0]=4 203 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|2,0,0]=4 204 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 205 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 206 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [2,0,0,0,0,0|2,0,0]=4 207 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [2,0,0,0,0,0|2,0,0]=4 208 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [2,0,0,0,0,0|2,0,0]=4 209 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [2,0,0,0,0,0|2,0,0]=4 210 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [2,0,0,0,0,0|1,1,0]=4 211 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [2,0,0,0,0,0|1,1,0]=4 212 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [2,0,0,0,0,0|2,0,0]=4 213 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [2,0,0,0,0,0|2,0,0]=4 214 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [2,0,0,0,0,0|1,0,0]=3 215 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [2,0,0,0,0,0|1,0,0]=3 216 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [2,0,0,0,0,0|1,0,1]=4 217 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [2,0,0,0,0,0|1,0,1]=4 218 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|2,0,0]=4 219 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [2,0,0,0,0,0|1,1,0]=4 220 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [2,0,0,0,0,0|1,0,1]=4 221 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [2,0,0,0,0,0|1,0,1]=4 222 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|2,0,0]=4 223 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|1,1,0]=4 224 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [2,0,0,0,0,0|2,0,0]=4 225 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [2,0,0,0,0,0|2,0,0]=4 226 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [2,0,0,0,0,0|1,1,0]=4 227 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [2,0,0,0,0,0|1,0,1]=4 228 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [2,0,0,0,0,0|1,0,1]=4 229 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [2,0,0,0,0,0|1,0,1]=4 230 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [2,0,0,0,0,0|1,0,1]=4 231 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [2,0,0,0,0,0|1,0,1]=4 232 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [2,0,0,0,0,0|1,0,1]=4 233 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [2,0,0,0,0,0|2,0,0]=4 234 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [2,0,0,0,0,0|2,0,0]=4 235 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [2,0,0,0,0,0|2,0,0]=4 236 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [2,0,0,0,0,0|2,0,0]=4 237 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [2,0,0,0,0,0|2,0,0]=4 238 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [2,0,0,0,0,0|2,0,0]=4 239 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [2,0,0,0,0,0|1,1,0]=4 240 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [2,0,0,0,0,0|2,0,0]=4 241 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [2,0,0,0,0,0|2,0,0]=4 242 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [2,0,0,0,0,0|2,0,0]=4 243 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [2,0,0,0,0,0|1,0,1]=4 244 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [2,0,0,0,0,0|1,0,1]=4 245 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [1,1,0,0,0,0|2,0,0]=4 246 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [1,1,0,0,0,0|2,0,0]=4 247 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [1,1,0,0,0,0|2,0,0]=4 248 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [1,1,0,0,0,0|2,0,0]=4 249 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [1,1,0,0,0,0|2,0,0]=4 250 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|2,0,0]=4 251 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|2,0,0]=4 252 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|2,0,0]=4 253 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|2,0,0]=4 254 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|2,0,0]=4 255 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|2,0,0]=4 256 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [1,1,0,0,0,0|2,0,0]=4 257 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [1,1,0,0,0,0|2,0,0]=4 258 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [1,1,0,0,0,0|2,0,0]=4 259 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [1,1,0,0,0,0|2,0,0]=4 260 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,1,0,0,0,0|2,0,0]=4 261 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,1,0,0,0,0|2,0,0]=4 262 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [1,1,0,0,0,0|2,0,0]=4 263 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [1,1,0,0,0,0|2,0,0]=4 264 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,1,0,0,0,0|2,0,0]=4 265 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,1,0,0,0,0|2,0,0]=4 266 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,1,0,0,0,0|2,0,0]=4 267 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,1,0,0,0,0|2,0,0]=4 268 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,1,0,0,0,0|2,0,0]=4 269 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,1,0,0,0,0|2,0,0]=4 270 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,1,0,0,0,0|2,0,0]=4 271 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,1,0,0,0,0|2,0,0]=4 272 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,1,0,0,0,0|2,0,0]=4 273 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,1,0,0,0,0|2,0,0]=4 274 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,1,0,0,0,0|2,0,0]=4 275 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,1,0,0,0,0|2,0,0]=4 276 B10R0.4 NC(=O)CNCCSCCO 2230a_100011219999_100000747473 [1,1,0,0,0,0|2,0,0]=4 277 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [1,1,0,0,0,0|2,0,0]=4 278 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [1,1,0,0,0,0|2,0,0]=4 279 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [1,1,0,0,0,0|2,0,0]=4 280 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [1,1,0,0,0,0|2,0,0]=4 281 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [1,1,0,0,0,0|2,0,0]=4 282 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [1,1,0,0,0,0|2,0,0]=4 283 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|2,0,0]=4 284 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [1,1,0,0,0,0|1,1,0]=4 285 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [1,1,0,0,0,0|2,0,0]=4 286 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [1,1,0,0,0,0|2,0,0]=4 287 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [1,1,0,0,0,0|2,0,0]=4 288 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [1,1,0,0,0,0|2,0,0]=4 289 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [1,1,0,0,0,0|2,0,0]=4 290 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [1,1,0,0,0,0|2,0,0]=4 291 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [1,1,0,0,0,0|2,0,0]=4 292 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [1,1,0,0,0,0|2,0,0]=4 293 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [1,1,0,0,0,0|2,0,0]=4 294 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [1,1,0,0,0,0|2,0,0]=4 295 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [1,1,0,0,0,0|2,0,0]=4 296 B10R0.55 CC(CO)SCCCC(=O)N 62a_100012180447_100102525003 [1,1,0,0,0,0|2,0,0]=4 297 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [1,1,0,0,0,0|2,0,0]=4 298 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [1,1,0,0,0,0|2,0,0]=4 299 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100016084084_100102525003 [1,1,0,0,0,0|2,0,0]=4 300 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100102525003_100016084084 [1,1,0,0,0,0|2,0,0]=4 301 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [1,1,0,0,0,0|2,0,0]=4 302 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [1,1,0,0,0,0|2,0,0]=4 303 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [1,1,0,0,0,0|2,0,0]=4 304 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [1,1,0,0,0,0|2,0,0]=4 305 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,1,0,0,0,0|2,0,0]=4 306 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,1,0,0,0,0|2,0,0]=4 307 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,1,0,0,0,0|2,0,0]=4 308 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,1,0,0,0,0|2,0,0]=4 309 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [1,1,0,0,0,0|2,0,0]=4 310 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [1,1,0,0,0,0|2,0,0]=4 311 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [1,1,0,0,0,0|2,0,0]=4 312 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [1,1,0,0,0,0|2,0,0]=4 313 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [1,1,0,0,0,0|2,0,0]=4 314 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [1,1,0,0,0,0|2,0,0]=4 315 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [1,1,0,0,0,0|2,0,0]=4 316 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [1,1,0,0,0,0|2,0,0]=4 317 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [1,1,0,0,0,0|1,0,0]=3 318 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [1,1,0,0,0,0|1,0,0]=3 319 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [1,1,0,0,0,0|2,0,0]=4 320 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [1,1,0,0,0,0|2,0,0]=4 321 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [1,1,0,0,0,0|1,0,0]=3 322 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [1,1,0,0,0,0|1,0,0]=3 323 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [1,1,0,0,0,0|2,0,0]=4 324 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|2,0,0]=4 325 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [1,1,0,0,0,0|2,0,0]=4 326 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [1,1,0,0,0,0|2,0,0]=4 327 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|2,0,0]=4 328 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|2,0,0]=4 329 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|2,0,0]=4 330 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|2,0,0]=4 331 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,1,0,0,0,0|2,0,0]=4 332 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,1,0,0,0,0|2,0,0]=4 333 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [1,1,0,0,0,0|2,0,0]=4 334 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [1,1,0,0,0,0|2,0,0]=4 335 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [1,1,0,0,0,0|2,0,0]=4 336 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [1,1,0,0,0,0|2,0,0]=4 337 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [1,1,0,0,0,0|2,0,0]=4 338 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [1,1,0,0,0,0|2,0,0]=4 339 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [1,1,0,0,0,0|2,0,0]=4 340 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_100000211926_200009895572 [1,1,0,0,0,0|2,0,0]=4 341 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_200009895572_100000211926 [1,1,0,0,0,0|2,0,0]=4 342 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [1,1,0,0,0,0|2,0,0]=4 343 B10R0.81 C[C@@H](OCCO)[C@H](N)C(=O)N 34a_100000003557_100000211926 [1,1,0,0,0,0|1,1,0]=4 344 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [1,1,0,0,0,0|2,0,0]=4 345 B10R0.82 CC(CO)OC[C@H](N)C(=O)N 34a_100000729942_100012180447 [1,1,0,0,0,0|1,1,0]=4 346 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [1,1,0,0,0,0|2,0,0]=4 347 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [1,1,0,0,0,0|2,0,0]=4 349 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [1,1,0,0,0,0|2,0,0]=4 350 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [1,1,0,0,0,0|1,1,0]=4 351 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [1,1,0,0,0,0|2,0,0]=4 352 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [1,1,0,0,0,0|1,1,0]=4 353 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100000754131_100011215043 [0,1,0,0,0,1|2,0,0]=4 354 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100011215043_100000754131 [0,1,0,0,0,1|2,0,0]=4 355 B12R0.86 COC(=O)C(C)CCSCC(C)O 62a_100000034942_100011218427 [0,2,0,0,0,0|2,0,0]=4 356 B12R0.86 COC(=O)C(C)CCSCC(C)O 62a_100011218427_100000034942 [0,2,0,0,0,0|2,0,0]=4 357 B12R0.86 COC(=O)C(C)CCSC[C@@H](C)O 62a_100000034942_100009817552 [0,2,0,0,0,0|2,0,0]=4 358 B12R0.86 COC(=O)C(C)CCSC[C@@H](C)O 62a_100009817552_100000034942 [0,2,0,0,0,0|2,0,0]=4 359 B12R0.86 COC(=O)C(C)CSCCC(C)O 62a_100000698445_100012276601 [0,2,0,0,0,0|2,0,0]=4 360 B12R0.86 COC(=O)C(C)CSCCC(C)O 62a_100012276601_100000698445 [0,2,0,0,0,0|2,0,0]=4 361 B12R0.86 COC(=O)[C@H](N)COCCC(C)O 34a_100000003586_100012276601 [0,2,0,0,0,0|1,1,0]=4 362 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100000034942_100011215043 [0,2,0,0,0,0|2,0,0]=4 363 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100011215043_100000034942 [0,2,0,0,0,0|2,0,0]=4 364 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000210776_100000698445 [0,2,0,0,0,0|2,0,0]=4 365 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000698445_100000210776 [0,2,0,0,0,0|2,0,0]=4 366 B12R0.49 COC(=O)C(C)NCCSCCO 2230a_100011219999_100000211248 [0,2,0,0,0,0|2,0,0]=4 367 B12R0.49 COC(=O)[C@H](N)COCCCCO 34a_100000003586_100011216708 [0,2,0,0,0,0|1,1,0]=4 368 B12R0.49 COCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000740836 [0,2,0,0,0,0|1,1,0]=4 369 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000698445_100000709357 [0,2,0,0,0,0|2,0,0]=4 370 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000709357_100000698445 [0,2,0,0,0,0|2,0,0]=4 371 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000034942_100000233755 [0,2,0,0,0,0|2,0,0]=4 372 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000233755_100000034942 [0,2,0,0,0,0|2,0,0]=4 373 B12R0.156 COC(=O)C(C)CCSC(C)CO 62a_100012180447_100000034942 [0,2,0,0,0,0|2,0,0]=4 374 B12R0.156 COC(=O)C(C)CCS[C@H](C)CO 62a_100000034942_100016084084 [0,2,0,0,0,0|2,0,0]=4 375 B12R0.156 COC(=O)C(C)CCS[C@H](C)CO 62a_100016084084_100000034942 [0,2,0,0,0,0|2,0,0]=4 376 B12R0.156 COC(=O)C(C)CSCC(O)CO 62a_100000698445_100011219619 [0,2,0,0,0,0|2,0,0]=4 377 B12R0.156 COC(=O)C(C)CSCC(O)CO 62a_100011219619_100000698445 [0,2,0,0,0,0|2,0,0]=4 378 B12R0.156 COC(=O)C(C)CSC[C@@H](C)CO 62a_100000059175_100000698445 [0,2,0,0,0,0|2,0,0]=4 379 B12R0.156 COC(=O)C(C)CSC[C@@H](C)CO 62a_100000698445_100000059175 [0,2,0,0,0,0|2,0,0]=4 380 B12R0.156 COC(=O)C(C)CSC[C@@H](O)CO 62a_100000698445_100009815848 [0,2,0,0,0,0|2,0,0]=4 381 B12R0.156 COC(=O)C(C)CSC[C@@H](O)CO 62a_100009815848_100000698445 [0,2,0,0,0,0|2,0,0]=4 382 B12R0.156 COC(=O)[C@H](N)COCC(O)CO 34a_100000003586_100011219619 [0,2,0,0,0,0|1,1,0]=4 383 B12R0.156 COC(=O)[C@H](N)COC[C@@H](C)CO 34a_100000003586_100000059175 [0,2,0,0,0,0|1,1,0]=4 384 B12R0.156 COC(=O)[C@H](N)COC[C@@H](O)CO 34a_100000003586_100009815848 [0,2,0,0,0,0|1,1,0]=4 385 B12R0.600 COC(=O)C(C)(C)CSCCCO 62a_100000684552_100011215043 [0,2,0,0,0,0|2,0,0]=4 386 B12R0.600 COC(=O)C(C)(C)CSCCCO 62a_100011215043_100000684552 [0,2,0,0,0,0|2,0,0]=4 387 B12R0.600 COC(=O)C(F)(F)CSCCCO 62a_100010295740_100011215043 [0,2,0,0,0,0|2,0,0]=4 388 B12R0.600 COC(=O)C(F)(F)CSCCCO 62a_100011215043_100010295740 [0,2,0,0,0,0|2,0,0]=4 389 B12R0.110 COC(=O)[C@@H](N)[C@@H](C)OCCCO 34a_100000004424_100000230001 [0,2,0,0,0,0|1,1,0]=4 390 B12R0.79 COC(=O)C(C)CSC(C)CCO 62a_100000698445_100009893172 [0,2,0,0,0,0|2,0,0]=4 391 B12R0.79 COC(=O)C(C)CSC(C)CCO 62a_100009893172_100000698445 [0,2,0,0,0,0|2,0,0]=4 392 B12R0.79 COC(=O)[C@H](N)COC(C)CCO 34a_100000003586_100009893172 [0,2,0,0,0,0|1,1,0]=4 393 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [1,0,0,1,0,0|2,0,0]=4 394 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [1,0,0,1,0,0|2,0,0]=4 395 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [1,0,0,1,0,0|2,0,0]=4 396 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [1,0,0,1,0,0|2,0,0]=4 397 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [1,0,0,1,0,0|2,0,0]=4 398 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [1,0,0,1,0,0|2,0,0]=4 399 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [1,0,0,1,0,0|2,0,0]=4 400 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [1,0,0,1,0,0|2,0,0]=4 401 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [1,0,0,1,0,0|2,0,0]=4 402 B10R1.126 NC(=O)CCSCC1CO1 62a_100000744528_102125554688 [1,0,0,1,0,0|2,0,0]=4 403 B10R1.126 NC(=O)CCSCC1CO1 62a_102125554688_100000744528 [1,0,0,1,0,0|2,0,0]=4 404 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000744528_100000745022 [1,0,0,1,0,0|2,0,0]=4 405 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000744528 [1,0,0,1,0,0|2,0,0]=4 406 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100011215043_100015307671 [0,0,0,1,0,1|2,0,0]=4 407 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100015307671_100011215043 [0,0,0,1,0,1|2,0,0]=4 408 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [0,0,0,1,0,1|2,0,0]=4 409 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [0,0,0,1,0,1|2,0,0]=4 410 B12R1.334 COC(=O)C1CC(C1)SCCO 62a_100000211926_100009897219 [0,1,0,1,0,0|2,0,0]=4 411 B12R1.334 COC(=O)C1CC(C1)SCCO 62a_100009897219_100000211926 [0,1,0,1,0,0|2,0,0]=4 412 B12R1.471 COC(=O)C(C)CSCC1CO1 62a_100000698445_102125554688 [0,1,0,1,0,0|2,0,0]=4 413 B12R1.471 COC(=O)C(C)CSCC1CO1 62a_102125554688_100000698445 [0,1,0,1,0,0|2,0,0]=4 414 B12R1.471 COC(=O)C(C)CSC[C@@H]1CO1 62a_100000698445_100000745022 [0,1,0,1,0,0|2,0,0]=4 415 B12R1.471 COC(=O)C(C)CSC[C@@H]1CO1 62a_100000745022_100000698445 [0,1,0,1,0,0|2,0,0]=4 416 B12R1.471 COC(=O)[C@H](N)COCC1CO1 34a_100000003586_102125554688 [0,1,0,1,0,0|1,1,0]=4