0 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,0,0,0,0|3,0,0]=3 28 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,0,0,0,0|4,0,0]=4 37 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,0,0,0,0|4,0,0]=4 39 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,0,0,0,0|4,0,0]=4 44 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,0,0,0,0|4,0,0]=4 46 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,0,0,0,0|4,0,0]=4 47 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,0,0,0,0|4,0,0]=4 48 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,0,0,0,0|3,0,0]=3 53 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,0,0,0,0|3,0,0]=3 54 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,0,0,0,0|4,0,0]=4 55 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,0,0,0,0,0|3,0,0]=3 57 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,0,0,0,0,0|4,0,0]=4 63 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,0,0,0,0,0|4,0,0]=4 67 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,0,0,0,0,0|4,0,0]=4 68 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,0,0,0,0,0|3,0,0]=3 69 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,0,0,0,0,0|3,0,0]=3 70 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,0,0,0,0|2,0,0]=2 74 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,0,0,0,0,0|2,0,1]=3 77 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,0,0,0,0,0|3,0,0]=3 80 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,0,0,0,0,0|4,0,0]=4 82 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,0,0,0,0,0|4,0,0]=4 84 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,0,0,0,0,0|3,0,0]=3 85 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,0,0,0,0,0|3,0,0]=3 86 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,0,0,0,0,0|3,0,0]=3 87 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,0,0,0,0,0|1,0,3]=4 90 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,0,0,0,0,0|3,0,0]=3 91 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,0,0,0,0,0|2,0,1]=3 93 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,0,0,0,0,0|2,0,1]=3 97 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,0,0,0,0,0|2,0,1]=3 98 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,0,0,0,0,0|2,0,1]=4 106 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [1,0,0,0,0,0|3,0,0]=4 121 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [1,0,0,0,0,0|3,0,0]=4 122 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [1,0,0,0,0,0|3,0,0]=4 123 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [1,0,0,0,0,0|3,0,0]=4 124 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,0]=2 133 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,0]=2 134 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|3,0,0]=4 135 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|3,0,0]=4 136 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|3,0,0]=4 137 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|3,0,0]=4 138 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 139 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 140 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 141 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 142 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 143 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,0]=3 144 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,0]=3 145 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 146 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 148 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 149 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,0]=3 150 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,0]=3 151 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|2,0,0]=3 160 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|3,0,0]=4 162 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|3,0,0]=4 163 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|3,0,0]=4 164 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,0]=3 167 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|3,0,0]=4 168 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|3,0,0]=4 169 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|3,0,0]=4 170 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|3,0,0]=4 173 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|3,0,0]=4 174 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|3,0,0]=4 175 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|3,0,0]=4 176 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|2,0,1]=4 178 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|3,0,0]=4 179 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|3,0,0]=4 180 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|3,0,0]=4 181 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|3,0,0]=4 183 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|3,0,0]=4 184 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 185 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|3,0,0]=4 186 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 187 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|3,0,0]=4 191 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|3,0,0]=4 192 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|3,0,0]=4 193 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|3,0,0]=4 194 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|3,0,0]=4 195 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 197 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 198 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 199 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 201 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|3,0,0]=4 202 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|3,0,0]=4 203 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|3,0,0]=4 205 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|3,0,0]=4 206 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|3,0,0]=4 207 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|3,0,0]=4 209 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|3,0,0]=4 210 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|3,0,0]=4 211 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|3,0,0]=4 212 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|3,0,0]=4 213 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|3,0,0]=4 214 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|3,0,0]=4 215 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|3,0,0]=4 216 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|3,0,0]=4 217 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|3,0,0]=4 218 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|3,0,0]=4 219 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|3,0,0]=4 221 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,0,0,0,0|2,0,1]=4 222 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,0,0,0,0|2,0,1]=4 223 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,0,0,0,0|2,0,1]=4 224 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,0,0,0,0|2,0,1]=4 225 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|2,0,1]=4 226 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 227 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 228 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 230 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|2,0,0]=3 233 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|2,0,0]=3 234 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|2,0,0]=3 235 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 237 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|2,0,0]=3 239 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|2,0,0]=3 240 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|2,0,1]=4 242 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,0]=3 243 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|1,0,0]=2 244 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|1,0,1]=3 247 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 248 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|2,0,1]=4 249 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|2,0,1]=4 250 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|1,0,1]=3 251 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|1,0,1]=3 252 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|1,0,2]=4 253 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [1,0,0,0,0,0|2,0,1]=4 254 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [1,0,0,0,0,0|2,0,1]=4 255 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,1]=4 256 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,0]=2 257 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,0]=3 258 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|3,0,0]=4 260 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|3,0,0]=4 261 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,0,0|2,0,0]=3 262 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 263 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 264 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,0,0,0,0,0|3,0,0]=4 265 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,0,0,0,0,0|3,0,0]=4 266 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|2,0,0]=3 267 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|2,0,0]=3 268 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|2,0,0]=3 269 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|2,0,0]=3 270 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 271 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 272 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 273 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|3,0,0]=4 274 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|2,0,0]=3 275 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|2,0,0]=3 276 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,0,0,0,0|3,0,0]=4 278 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,0,0,0,0,0|3,0,0]=4 279 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|2,0,0]=3 280 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,0,0,0,0|3,0,0]=4 281 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,0,0,0,0|3,0,0]=4 282 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,0,0,0,0|3,0,0]=4 283 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,0,0,0,0|3,0,0]=4 284 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,0,0,0,0|3,0,0]=4 285 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,0,0,0,0|3,0,0]=4 286 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,0,0,0,0,0|3,0,0]=4 287 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,0,0,0,0,0|2,0,1]=4 288 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,0,0,0,0|3,0,0]=4 290 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,0,0,0,0|3,0,0]=4 291 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,0,0,0,0|3,0,0]=4 292 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,0,0,0,0|3,0,0]=4 293 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,0,0,0,0|3,0,0]=4 294 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,0,0,0,0|3,0,0]=4 295 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,0,0,0,0|3,0,0]=4 296 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,0,0,0,0,0|3,0,0]=4 298 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,0,0,0,0,0|3,0,0]=4 299 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,0,0,0,0,0|2,0,1]=4 301 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|2,0,0]=3 302 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,0]=3 303 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,0,0,0,0|3,0,0]=4 304 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,0,0,0,0|3,0,0]=4 305 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 306 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 307 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,0,0,0,0|3,0,0]=4 308 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,0,0,0,0,0|2,0,0]=3 309 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,0,0,0,0|3,0,0]=4 311 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,0,0,0,0|3,0,0]=4 312 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,0]=3 313 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,0,0,0,0,0|2,0,0]=3 314 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,1,0,0,0,0|2,0,1]=4 315 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,1,0,0,0,0|3,0,0]=4 316 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,1,0,0,0,0|3,0,0]=4 317 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,1,0,0,0,0|3,0,0]=4 318 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,1,0,0,0,0|3,0,0]=4 319 B9R0.6 CC(C(=O)N)C(=O)CCO 1458a_100011216618_100000702099 [0,1,0,0,0,0|2,0,1]=4 320 B9R0.6 CC(C(=O)N)N(C)CCO 2230a_100000210263_100000702099 [0,1,0,0,0,0|3,0,0]=4 321 B9R0.6 CC(C(=O)N)N(C)CCO 269982a_100000210263_100000184083 [0,1,0,0,0,0|3,0,0]=4 322 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,1,0,0,0,0|3,0,0]=4 323 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,0,0,0,0|2,0,0]=3 324 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,0,0,0,0|2,0,0]=3 325 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,0,0,0,0|2,0,0]=3 326 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,0,0,0,0|3,0,0]=4 327 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,1,0,0,0,0|3,0,0]=4 328 B9R0.6 CN(CCO)C(F)C(=O)N 2230a_100000210263_100009813875 [0,1,0,0,0,0|3,0,0]=4 329 B9R0.6 CN(CCO)C(F)C(=O)N 269982a_100000210263_100009813875 [0,1,0,0,0,0|3,0,0]=4 330 B9R0.6 C[C@@H](OCF)[C@H](N)C(=O)N 34a_100000003557_100015361967 [0,1,0,0,0,0|3,0,0]=4 331 B9R0.6 NC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813875 [0,1,0,0,0,0|2,0,1]=4 332 B9R0.6 O=C([O-])C(F)C(=O)CCO 1458a_100011216618_100020610796 [0,1,0,0,0,0|1,0,2]=4 333 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,0|3,0,0]=4 334 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,0|3,0,0]=4 335 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,0|3,0,0]=4 336 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,0|3,0,0]=4 337 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,0|3,0,0]=4 338 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,0|3,0,0]=4 339 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,0|3,0,0]=4 340 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,0|3,0,0]=4 341 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,0|3,0,0]=4 342 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,0|3,0,0]=4 343 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,0|3,0,0]=4 344 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,0|3,0,0]=4 345 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,1,0,0,0,0|3,0,0]=4 346 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,0|3,0,0]=4 347 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,1,0,0,0,0|3,0,0]=4 348 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,0|3,0,0]=4 349 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,0|2,0,1]=4 350 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,0,0,0,0|2,0,0]=3 351 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,1,0,0,0,0|3,0,0]=4 352 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,1,0,0,0,0|3,0,0]=4 353 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,1,0,0,0,0|2,0,1]=4 354 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,1,0,0,0,0|3,0,0]=4 355 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,1,0,0,0,0|3,0,0]=4 356 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,1,0,0,0,0|3,0,0]=4 357 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,1,0,0,0,0|3,0,0]=4 358 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,1,0,0,0,0|3,0,0]=4 359 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,1,0,0,0,0|3,0,0]=4 360 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,1,0,0,0,0|2,0,1]=4 361 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,1,0,0,0,0|2,0,1]=4 362 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,1,0,0,0,0|3,0,0]=4 363 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,1,0,0,0,0|3,0,0]=4 364 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,1,0,0,0,0|3,0,0]=4 365 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,1,0,0,0,0|3,0,0]=4 366 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,1,0,0,0,0|3,0,0]=4 367 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,1,0,0,0,0|3,0,0]=4 368 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,1,0,0,0,0|3,0,0]=4 369 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,1,0,0,0,0|3,0,0]=4 370 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,1,0,0,0,0|2,0,1]=4 371 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,1,0,0,0,0|2,0,1]=4 372 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,1,0,0,0,0|3,0,0]=4 373 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,0,0,0,0|2,0,0]=3 374 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,1,0,0,0,0|2,0,1]=4 375 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,0,0,0,0|3,0,0]=4 376 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|3,0,0]=4 377 B9R0.8 C=CC(=O)N(C)CCCO 240690a_100000213112_200121576911 [0,1,0,0,0,0|3,0,0]=4 378 B9R0.8 CC(OCCO)C(=O)NN 34a_100000725659_100000211926 [0,1,0,0,0,0|3,0,0]=4 379 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,1,0,0,0,0|3,0,0]=4 380 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,1,0,0,0,0|3,0,0]=4 381 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,1,0,0,0,0|3,0,0]=4 382 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,1,0,0,0,0|3,0,0]=4 383 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,1,0,0,0,0|3,0,0]=4 384 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|3,0,0]=4 385 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|3,0,0]=4 386 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,0,0,0,0|3,0,0]=4 387 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|2,0,0]=3 388 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|3,0,0]=4 389 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|3,0,0]=4 390 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|3,0,0]=4 391 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|3,0,0]=4 392 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|3,0,0]=4 393 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,0,0,0,0|3,0,0]=4 394 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|3,0,0]=4 395 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|3,0,0]=4 396 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,0,0,0,0|3,0,0]=4 397 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,0,0,0,0|3,0,0]=4 398 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,0,0,0,0|3,0,0]=4 399 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,0,0,0,0|3,0,0]=4 400 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,0,0,0,0|3,0,0]=4 401 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,0,0,0,0|3,0,0]=4 402 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,0,0,0,0|3,0,0]=4 403 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,0,0,0,0|3,0,0]=4 404 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,0,0,0,0|3,0,0]=4 405 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,0,0,0,0|3,0,0]=4 406 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,1,0,0,0,0|3,0,0]=4 407 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,0,0,0,0|2,0,0]=3 408 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,0,0,0,0|3,0,0]=4 409 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,0,0,0,0|3,0,0]=4 410 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,1,0,0,0,0|2,0,0]=3 411 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,1,0,0,0,0|2,0,0]=3 412 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|2,0,1]=4 413 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [0,1,0,0,0,0|3,0,0]=4 414 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [0,1,0,0,0,0|3,0,0]=4 415 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,1,0,0,0,0|3,0,0]=4 416 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,1,0,0,0,0|3,0,0]=4 417 B9R0.8 CNC(=O)C(F)NCCO 2230a_100016997473_100009813575 [0,1,0,0,0,0|3,0,0]=4 418 B9R0.8 CNC(=O)C(F)NCCO 34a_100016990907_100009813575 [0,1,0,0,0,0|3,0,0]=4 419 B9R0.8 CNC(=O)C(F)SCCO 62a_100000211926_100009813575 [0,1,0,0,0,0|3,0,0]=4 420 B9R0.8 CNC(=O)C(F)SCCO 62a_100009813575_100000211926 [0,1,0,0,0,0|3,0,0]=4 421 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 422 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 423 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [0,1,0,0,0,0|3,0,0]=4 424 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [0,1,0,0,0,0|3,0,0]=4 425 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|3,0,0]=4 426 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|3,0,0]=4 427 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|3,0,0]=4 428 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,1,0,0,0,0|2,0,1]=4 429 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,1,0,0,0,0|2,0,1]=4 430 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|3,0,0]=4 432 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|3,0,0]=4 433 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|3,0,0]=4 434 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,1,0,0,0,0|3,0,0]=4 435 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,1,0,0,0,0|3,0,0]=4 436 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,1,0,0,0,0|3,0,0]=4 437 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,1,0,0,0,0|3,0,0]=4 438 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,1,0,0,0,0|3,0,0]=4 439 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,1,0,0,0,0|2,0,0]=3 440 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,1,0,0,0,0|2,0,0]=3 441 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,1,0,0,0,0|3,0,0]=4 442 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,1,0,0,0,0|3,0,0]=4 443 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,0,0,0,0|3,0,0]=4 444 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,1,0,0,0,0|2,0,0]=3 445 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,0,0,0,0|3,0,0]=4 446 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,0,0,0,0|3,0,0]=4 447 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,0,0,0,0|2,0,0]=3 448 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,0,0,0,0|2,0,0]=3 449 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,1,0,0,0,0|3,0,0]=4 450 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,1,0,0,0,0|2,0,0]=3 451 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|3,0,0]=4 452 B9R0.8 NNC(=O)C(N)COCF 34a_100016989258_100015361967 [0,1,0,0,0,0|3,0,0]=4 453 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,1,0,0,0,0|3,0,0]=4 454 B9R0.13 C=C[C@H](NCCF)C(=O)O 269956a_100016992060_100011217306 [0,1,0,0,0,0|3,0,0]=4 455 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [0,1,0,0,0,0|2,0,0]=3 456 B9R0.13 CCC(NCCO)C(=O)N 2230a_100000733705_100000211926 [0,1,0,0,0,0|3,0,0]=4 457 B9R0.13 CCC(NCCO)C(=O)N 2230a_100016997473_100000750255 [0,1,0,0,0,0|3,0,0]=4 458 B9R0.13 CCC(NCCO)C(=O)N 34a_100000733705_100000211926 [0,1,0,0,0,0|3,0,0]=4 459 B9R0.13 CCC(NCCO)C(=O)N 34a_100016990907_100000750255 [0,1,0,0,0,0|3,0,0]=4 460 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [0,1,0,0,0,0|3,0,0]=4 461 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [0,1,0,0,0,0|3,0,0]=4 462 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,0,0,0,0|3,0,0]=4 463 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,0,0,0,0|3,0,0]=4 464 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,0,0,0,0|3,0,0]=4 465 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,1,0,0,0,0|2,0,0]=3 466 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,1,0,0,0,0|2,0,0]=3 467 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,1,0,0,0,0|2,0,0]=3 468 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,1,0,0,0,0|3,0,0]=4 469 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,1,0,0,0,0|3,0,0]=4 470 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,1,0,0,0,0|3,0,0]=4 471 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,1,0,0,0,0|3,0,0]=4 472 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,1,0,0,0,0|3,0,0]=4 473 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,1,0,0,0,0|2,0,0]=3 474 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,1,0,0,0,0|2,0,0]=3 475 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,1,0,0,0,0|2,0,0]=3 476 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,1,0,0,0,0|2,0,0]=3 477 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,1,0,0,0,0|3,0,0]=4 478 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,1,0,0,0,0|3,0,0]=4 479 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,1,0,0,0,0|3,0,0]=4 480 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,1,0,0,0,0|2,0,0]=3 481 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,1,0,0,0,0|3,0,0]=4 482 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,1,0,0,0,0|3,0,0]=4 483 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,1,0,0,0,0|2,0,0]=3 484 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,1,0,0,0,0|2,0,0]=3 485 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,1,0,0,0,0|3,0,0]=4 487 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,1,0,0,0,0|2,0,0]=3 488 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B9R0.13 N#CC(NCCO)C(=O)N 2230a_100000039599_100000211926 [0,1,0,0,0,0|2,0,1]=4 490 B9R0.13 NC(=O)[C@H](CO)NCCO 2230a_100000729942_100000211926 [0,1,0,0,0,0|3,0,0]=4 491 B9R0.13 NC(=O)[C@H](CO)NCCO 34a_100000729942_100000211926 [0,1,0,0,0,0|3,0,0]=4 492 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,1,0,0,0,0|3,0,0]=4 493 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,1,0,0,0,0|2,0,0]=3 494 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,0|3,0,0]=4 495 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,0|3,0,0]=4 496 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,0|3,0,0]=4 497 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,0|3,0,0]=4 498 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,0|3,0,0]=4 499 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,1,0,0,0,0|3,0,0]=4 500 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,1,0,0,0,0|3,0,0]=4 501 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,1,0,0,0,0|3,0,0]=4 502 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,1,0,0,0,0|3,0,0]=4 503 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,1,0,0,0,0|2,0,1]=4 504 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,1,0,0,0,0|3,0,0]=4 505 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,1,0,0,0,0|3,0,0]=4 506 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,1,0,0,0,0|3,0,0]=4 507 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,1,0,0,0,0|3,0,0]=4 508 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,1,0,0,0,0|2,0,1]=4 509 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,1,0,0,0,0|3,0,0]=4 510 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,1,0,0,0,0|3,0,0]=4 511 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,1,0,0,0,0|3,0,0]=4 512 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,0|3,0,0]=4 513 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,1,0,0,0,0|3,0,0]=4 514 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,0|2,0,0]=3 515 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,1,0,0,0,0|3,0,0]=4 516 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,1,0,0,0,0|3,0,0]=4 517 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,1,0,0,0,0|2,0,1]=4 518 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,1,0,0,0,0|2,0,1]=4 519 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,1,0,0,0,0|2,0,1]=4 520 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,1,0,0,0,0|2,0,1]=4 521 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,1,0,0,0,0|2,0,1]=4 522 B9R0.47 C#CCOC[C@H](N)C(=O)N 34a_100000729942_100000184674 [0,1,0,0,0,0|2,0,1]=4 523 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,1,0,0,0,0|3,0,0]=4 524 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,1,0,0,0,0|2,0,1]=4 525 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,0,0,0,0|2,0,1]=4 526 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,0,0,0,0|2,0,1]=4 527 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,1,0,0,0,0|2,0,1]=4 528 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|2,0,1]=4 529 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 530 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|2,0,1]=4 531 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,1,0,0,0,0|3,0,0]=4 532 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,1,0,0,0,0|3,0,0]=4 533 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,1,0,0,0,0|2,0,0]=3 534 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,1,0,0,0,0|2,0,0]=3 535 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,1,0,0,0,0|3,0,0]=4 536 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,1,0,0,0,0|3,0,0]=4 537 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,0,0,0,0|2,0,0]=3 538 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,1,0,0,0,0|3,0,0]=4 539 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,1,0,0,0,0|3,0,0]=4 540 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,0,0,0,0|2,0,0]=3 541 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,0,0,0,0|2,0,0]=3 542 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|3,0,0]=4 543 B9R0.47 CC(C)[C@@H](N)COCCO 34a_100011830312_100000211926 [0,1,0,0,0,0|2,0,1]=4 544 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,1,0,0,0,0|2,0,1]=4 545 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,1,0,0,0,0|1,0,2]=4 546 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,0,0,0,0|2,0,0]=3 547 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,0,0,0,0|1,0,0]=2 548 B9R0.47 CC(COCCO)[N+](=O)[O-] 34a_100000039676_100000211926 [0,1,0,0,0,0|2,0,1]=4 549 B9R0.47 CC(COCCO)[N+](=O)[O-] 7a_100000039676_100000211926 [0,1,0,0,0,0|2,0,1]=4 550 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 551 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 552 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,1,0,0,0,0|3,0,0]=4 553 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,1,0,0,0,0|3,0,0]=4 554 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,1,0,0,0,0|3,0,0]=4 555 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,1,0,0,0,0|3,0,0]=4 556 B9R0.47 CC(OCCON)C(=O)N 34a_100000700252_100000702099 [0,1,0,0,0,0|3,0,0]=4 557 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,1,0,0,0,0|3,0,0]=4 558 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,1,0,0,0,0|3,0,0]=4 559 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,1,0,0,0,0|2,0,0]=3 560 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,1,0,0,0,0|2,0,0]=3 561 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|3,0,0]=4 562 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|3,0,0]=4 563 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|3,0,0]=4 564 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|3,0,0]=4 565 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|3,0,0]=4 566 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,0,0,0,0|3,0,0]=4 567 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,0,0,0,0|3,0,0]=4 568 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,0,0,0,0|3,0,0]=4 569 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,0,0,0,0|3,0,0]=4 570 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|2,0,0]=3 571 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,0,0,0,0|3,0,0]=4 572 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,0,0,0,0|3,0,0]=4 573 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|3,0,0]=4 574 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|3,0,0]=4 575 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,0,0,0,0|3,0,0]=4 576 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,0,0,0,0|3,0,0]=4 577 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,0,0,0,0|3,0,0]=4 578 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,0,0,0,0|3,0,0]=4 579 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,0,0,0,0|2,0,1]=4 580 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,0,0,0,0|2,0,1]=4 581 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,0,0,0,0|3,0,0]=4 582 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,0,0,0,0|3,0,0]=4 583 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|3,0,0]=4 584 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|3,0,0]=4 585 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|3,0,0]=4 586 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,0,0,0,0|3,0,0]=4 587 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,0,0,0,0|3,0,0]=4 588 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|3,0,0]=4 589 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,0,0,0,0|3,0,0]=4 590 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,0,0,0,0|3,0,0]=4 591 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,0,0,0,0|2,0,1]=4 592 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,0,0,0,0|2,0,1]=4 593 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|2,0,0]=3 594 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|2,0,0]=3 595 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|3,0,0]=4 596 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|3,0,0]=4 597 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|2,0,0]=3 598 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,1,0,0,0,0|3,0,0]=4 599 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,1,0,0,0,0|3,0,0]=4 600 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,1,0,0,0,0|3,0,0]=4 601 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,1,0,0,0,0|3,0,0]=4 602 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,1,0,0,0,0|3,0,0]=4 603 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,1,0,0,0,0|3,0,0]=4 604 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,1,0,0,0,0|3,0,0]=4 605 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,1,0,0,0,0|3,0,0]=4 606 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,0,0,0,0|2,0,0]=3 607 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,1,0,0,0,0|3,0,0]=4 608 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,1,0,0,0,0|3,0,0]=4 610 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,1,0,0,0,0|3,0,0]=4 611 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,1,0,0,0,0|3,0,0]=4 612 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,1,0,0,0,0|2,0,1]=4 613 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,1,0,0,0,0|2,0,1]=4 614 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,1,0,0,0,0|3,0,0]=4 615 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,1,0,0,0,0|3,0,0]=4 616 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,1,0,0,0,0|3,0,0]=4 617 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,1,0,0,0,0|3,0,0]=4 618 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,1,0,0,0,0|3,0,0]=4 619 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,1,0,0,0,0|3,0,0]=4 620 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,1,0,0,0,0|3,0,0]=4 621 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,1,0,0,0,0|3,0,0]=4 622 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,1,0,0,0,0|2,0,1]=4 623 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,1,0,0,0,0|2,0,1]=4 624 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,0,0,0,0|2,0,0]=3 625 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,0,0,0,0|2,0,0]=3 626 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,0,0,0,0|2,1,0]=4 627 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,0,0,0,0|2,1,0]=4 628 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,0,0,0,0|2,1,0]=4 629 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,1,0,0,0,0|2,1,0]=4 630 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 631 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 632 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,1,0,0,0,0|2,0,0]=3 633 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,1,0,0,0,0|2,0,0]=3 634 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 635 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 636 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,1,0,0,0,0|2,0,0]=3 637 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,1,0,0,0,0|2,0,0]=3 638 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,1,0,0,0,0|2,0,1]=4 639 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,0,0,0,0|2,0,0]=3 640 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,0,0,0,0|1,0,0]=2 641 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,1,0,0,0,0|2,0,1]=4 642 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,1,0,0,0,0|1,0,1]=3 643 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,1,0,0,0,0|2,0,1]=4 644 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,1,0,0,0,0|2,0,1]=4 645 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 646 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 647 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,1,0,0,0,0|3,0,0]=4 648 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,1,0,0,0,0|3,0,0]=4 649 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,1,0,0,0,0|3,0,0]=4 650 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,1,0,0,0,0|3,0,0]=4 651 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,1,0,0,0,0|3,0,0]=4 652 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,1,0,0,0,0|2,0,0]=3 653 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,1,0,0,0,0|2,0,0]=3 654 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,1,0,0,0,0|1,0,2]=4 655 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,1,0,0,0,0|2,0,0]=3 656 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,1,0,0,0,0|1,0,0]=2 657 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,1,0,0,0,0|3,0,0]=4 658 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,1,0,0,0,0|2,0,1]=4 659 B9R0.47 NOCCOC(F)C(=O)N 34a_100000700252_100009813875 [0,1,0,0,0,0|3,0,0]=4 660 B9R0.47 NOCCOC(F)C(=O)[O-] 34a_100000700252_100020610796 [0,1,0,0,0,0|2,0,1]=4 661 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,0,0,0,0|2,0,0]=3 662 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,0,0,0,0|1,0,0]=2 663 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,1,0,0,0,0|2,0,1]=4 664 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,1,0,0,0,0|2,0,1]=4 665 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,1,0,0,0,0|2,0,1]=4 666 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,1,0,0,0,0|2,0,1]=4 667 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,1,0,0,0,0|2,0,1]=4 668 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,1,0,0,0,0|2,0,1]=4 669 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,1,0,0,0,0|1,0,1]=3 670 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,1,0,0,0,0|1,0,1]=3 671 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,1,0,0,0,0|1,0,2]=4 672 B9R0.51 CC(=O)C(C)(C)OCCO 34a_100000747739_100000211926 [0,1,0,0,0,0|3,0,0]=4 673 B9R0.51 CC(=O)C(C)(C)OCCO 7a_100000747739_100000211926 [0,1,0,0,0,0|3,0,0]=4 674 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [0,1,0,0,0,0|3,0,0]=4 675 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [0,1,0,0,0,0|3,0,0]=4 676 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,1,0,0,0,0|3,0,0]=4 677 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100000743658_100000211926 [0,1,0,0,0,0|3,0,0]=4 678 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100016997473_100000702505 [0,1,0,0,0,0|3,0,0]=4 679 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100000743658_100000211926 [0,1,0,0,0,0|3,0,0]=4 680 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100016990907_100000702505 [0,1,0,0,0,0|3,0,0]=4 681 B9R0.51 CC(C)(OCCO)C(=O)N 34a_100011626353_100000211926 [0,1,0,0,0,0|3,0,0]=4 682 B9R0.51 CC(C)(OCCO)C(=O)N 7a_100011626353_100000211926 [0,1,0,0,0,0|3,0,0]=4 683 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000211926_100000702505 [0,1,0,0,0,0|3,0,0]=4 684 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000702505_100000211926 [0,1,0,0,0,0|3,0,0]=4 685 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,1,0,0,0,0|3,0,0]=4 686 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,1,0,0,0,0|3,0,0]=4 689 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,1,0,0,0,0|3,0,0]=4 690 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,1,0,0,0,0|3,0,0]=4 691 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,1,0,0,0,0|3,0,0]=4 692 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,1,0,0,0,0|3,0,0]=4 693 B9R0.51 NC(=O)C(F)(F)SCCO 62a_100000211926_100009811971 [0,1,0,0,0,0|3,0,0]=4 694 B9R0.51 NC(=O)C(F)(F)SCCO 62a_100009811971_100000211926 [0,1,0,0,0,0|3,0,0]=4 695 B9R0.51 O=C(O)C(F)(F)CNCF 269956a_100000734215_100015361967 [0,1,0,0,0,0|3,0,0]=4 696 B9R0.51 O=C([O-])C(F)(F)NCCO 34a_100016990907_100020612412 [0,1,0,0,0,0|2,0,1]=4 697 B9R0.51 O=C([O-])C(F)(F)SCCO 62a_100000211926_100000745680 [0,1,0,0,0,0|2,0,1]=4 698 B9R0.51 O=C([O-])C(F)(F)SCCO 62a_100000745680_100000211926 [0,1,0,0,0,0|2,0,1]=4 699 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,1,0,0|2,0,1]=4 700 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|3,0,0]=4 701 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|3,0,0]=4 702 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|3,0,0]=4 703 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|3,0,0]=4 704 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|2,0,0]=3 705 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|2,0,0]=3 706 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,1,0,0|3,0,0]=4 707 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,1,0,0|3,0,0]=4 708 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,1,0,0|3,0,0]=4 709 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,1,0,0|2,0,1]=4 710 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|3,0,0]=4 711 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|3,0,0]=4 712 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|2,0,0]=3 713 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,1,0,0|3,0,0]=4 714 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,0,0|1,0,2]=4 715 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|2,0,0]=3 716 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,0|3,0,0]=4 717 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,0|3,0,0]=4 718 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,0,0|1,0,2]=4 719 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|2,0,0]=3 720 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,0,0,1,0,0|3,0,0]=4 721 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,0,1,0,0|3,0,0]=4 722 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,0,1,0,0|3,0,0]=4 723 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,0,1,0,0|2,0,0]=3 724 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,0,0,1,0,0|3,0,0]=4 725 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,0,0,1,0,0|3,0,0]=4 726 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,1,0,0|3,0,0]=4 727 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,0,1,0,0|2,0,0]=3 728 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,1,0,0|3,0,0]=4 729 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,0|3,0,0]=4 730 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,0,0,1,0,0|3,0,0]=4 731 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,0,0,1,0,0|3,0,0]=4 732 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,0,1,0,0|2,0,0]=3 733 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,0,0,1,0,0|3,0,0]=4 734 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,0,1,0,0|2,0,0]=3 735 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,0,0,1,0,0|3,0,0]=4 736 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,0,0,0,0,1|3,0,0]=4 737 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,0,0,0,0,1|3,0,0]=4 738 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,0,0,0,0,1|3,0,0]=4 739 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,0,0,0,0,1|3,0,0]=4 740 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,0,0,0,0,1|3,0,0]=4 741 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,0,0,0,0,1|3,0,0]=4 742 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,0,0,0,1|3,0,0]=4 743 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,0,0,0,0,1|3,0,0]=4 744 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,0,0,0,0,1|3,0,0]=4 745 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,0,0,0,0,1|3,0,0]=4 746 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,0,0,0,0,1|3,0,0]=4 747 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,0,0,0,0,1|3,0,0]=4 748 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,0,0,0,0,1|2,0,0]=3 749 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,0,0,0,0,1|2,0,1]=4 750 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,0,0,0,0,1|2,0,1]=4 751 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,0,0,0,0,1|3,0,0]=4 752 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [2,0,0,0,0,0|2,0,0]=4 753 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [2,0,0,0,0,0|2,0,0]=4 754 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 755 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 756 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 757 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 758 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 759 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 760 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 761 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 762 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 763 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 764 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 765 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 766 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 767 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 768 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 769 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 770 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 771 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 772 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 773 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 774 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 775 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 776 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 777 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 778 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 779 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 780 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 781 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 782 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 783 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 784 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 785 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 786 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 787 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 788 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 789 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 790 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 791 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 792 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 793 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 794 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 795 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 796 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 797 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 798 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 799 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 800 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 801 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 802 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 803 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 804 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 805 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 806 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 807 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 808 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 809 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [2,0,0,0,0,0|2,0,0]=4 810 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [2,0,0,0,0,0|2,0,0]=4 811 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [2,0,0,0,0,0|2,0,0]=4 812 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [2,0,0,0,0,0|2,0,0]=4 813 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [2,0,0,0,0,0|2,0,0]=4 814 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [2,0,0,0,0,0|2,0,0]=4 815 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|2,0,0]=4 816 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|2,0,0]=4 817 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|2,0,0]=4 818 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|2,0,0]=4 819 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|2,0,0]=4 820 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 821 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|2,0,0]=4 822 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 823 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|2,0,0]=4 824 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|2,0,0]=4 825 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|2,0,0]=4 826 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|2,0,0]=4 827 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|2,0,0]=4 828 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 829 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|2,0,0]=4 830 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 831 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 832 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|1,0,0]=3 833 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|1,0,0]=3 834 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 835 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 836 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 837 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|1,0,0]=3 838 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|1,0,0]=3 839 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|1,0,1]=4 840 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|1,0,1]=4 841 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|1,0,1]=4 842 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 843 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 844 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|2,0,0]=4 845 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|2,0,0]=4 846 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 847 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|2,0,0]=4 848 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [2,0,0,0,0,0|2,0,0]=4 849 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|2,0,0]=4 850 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|2,0,0]=4 851 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|2,0,0]=4 852 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|2,0,0]=4 853 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|2,0,0]=4 854 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|2,0,0]=4 855 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|2,0,0]=4 856 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [2,0,0,0,0,0|2,0,0]=4 857 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 858 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 859 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 860 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 861 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [1,1,0,0,0,0|2,0,0]=4 862 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [1,1,0,0,0,0|2,0,0]=4 863 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [1,1,0,0,0,0|2,0,0]=4 864 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [1,1,0,0,0,0|2,0,0]=4 865 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [1,1,0,0,0,0|2,0,0]=4 866 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [1,1,0,0,0,0|2,0,0]=4 867 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [1,1,0,0,0,0|2,0,0]=4 868 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [1,1,0,0,0,0|2,0,0]=4 869 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|2,0,0]=4 870 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [1,1,0,0,0,0|2,0,0]=4 871 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [1,1,0,0,0,0|1,0,0]=3 872 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|1,0,1]=4 873 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,1,0,0,0,0|1,0,1]=4 874 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,1,0,0,0,0|1,0,1]=4 875 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,1,0,0,0,0|1,0,1]=4 876 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,1,0,0,0,0|1,0,1]=4 877 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,1,0,0,0,0|1,0,1]=4 878 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,1,0,0,0,0|1,0,1]=4 879 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,1,0,0,0,0|1,0,1]=4 880 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,1,0,0,0,0|1,0,1]=4 881 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [1,1,0,0,0,0|1,0,1]=4 882 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [1,1,0,0,0,0|1,0,1]=4 883 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [1,1,0,0,0,0|1,0,1]=4 884 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [1,1,0,0,0,0|1,0,1]=4 885 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [1,1,0,0,0,0|1,0,1]=4 886 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [1,1,0,0,0,0|1,0,1]=4 887 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [1,1,0,0,0,0|1,0,1]=4 888 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [1,1,0,0,0,0|1,0,1]=4 889 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [1,1,0,0,0,0|1,0,1]=4 890 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [1,1,0,0,0,0|1,0,1]=4 891 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 892 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 893 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 894 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 895 B8R0.11 O=CC(C=O)NCCO 2230a_100016997473_100000736813 [1,1,0,0,0,0|2,0,0]=4 896 B8R0.11 O=CC(C=O)NCCO 34a_100016990907_100000736813 [1,1,0,0,0,0|2,0,0]=4 897 B8R0.11 O=CC(C=O)SCCO 62a_100000211926_100000736813 [1,1,0,0,0,0|2,0,0]=4 898 B8R0.11 O=CC(C=O)SCCO 62a_100000736813_100000211926 [1,1,0,0,0,0|2,0,0]=4 899 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 900 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 901 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|2,0,0]=4 902 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|2,0,0]=4 903 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|2,0,0]=4 904 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|2,0,0]=4 905 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|2,0,0]=4 906 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [1,1,0,0,0,0|2,0,0]=4 907 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [1,1,0,0,0,0|2,0,0]=4 908 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [1,1,0,0,0,0|2,0,0]=4 909 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|1,0,0]=3 910 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|1,0,0]=3 911 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [1,1,0,0,0,0|1,0,1]=4 912 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|2,0,0]=4 913 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [1,1,0,0,0,0|1,0,1]=4 914 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [1,1,0,0,0,0|1,0,1]=4 915 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [1,1,0,0,0,0|0,0,2]=4 916 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|1,0,0]=3 917 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|2,0,0]=4 918 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,1,0,0,0,0|2,0,0]=4 919 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,1,0,0,0,0|2,0,0]=4 920 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,1,0,0,0,0|2,0,0]=4 921 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,1,0,0,0,0|1,0,1]=4 922 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [1,1,0,0,0,0|2,0,0]=4 923 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [1,1,0,0,0,0|2,0,0]=4 924 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [1,1,0,0,0,0|2,0,0]=4 925 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,1,0,0,0,0|2,0,0]=4 926 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,1,0,0,0,0|2,0,0]=4 927 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,1,0,0,0,0|2,0,0]=4 928 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [1,1,0,0,0,0|2,0,0]=4 929 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [1,1,0,0,0,0|2,0,0]=4 930 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [1,1,0,0,0,0|2,0,0]=4 931 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [1,1,0,0,0,0|2,0,0]=4 932 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [1,1,0,0,0,0|2,0,0]=4 933 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [1,1,0,0,0,0|2,0,0]=4 934 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|2,0,0]=4 935 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|2,0,0]=4 936 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|2,0,0]=4 937 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,1,0,0,0,0|1,0,1]=4 938 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,1,0,0,0,0|2,0,0]=4 939 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|2,0,0]=4 940 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,0]=3 941 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 942 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,1,0]=4 943 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,1,0]=4 944 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 945 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 946 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|2,0,0]=4 947 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|2,0,0]=4 948 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 949 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 950 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|1,0,0]=3 951 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|1,0,0]=3 952 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|1,0,0]=3 953 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|1,0,0]=3 954 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|2,0,0]=4 955 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|2,0,0]=4 956 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|1,0,0]=3 957 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|1,0,0]=3 958 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|2,0,0]=4 959 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|1,0,0]=3 960 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|1,0,0]=3 961 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|1,0,0]=3 962 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 963 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,1,0,0,0,0|2,0,0]=4 964 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,1,0,0,0,0|2,0,0]=4 965 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,1,0,0,0,0|2,0,0]=4 966 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|1,0,1]=4 967 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|1,0,1]=4 968 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|1,0,1]=4 969 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 970 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|1,0,1]=4 971 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 972 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 973 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,1,0,0,0,0|1,0,1]=4 974 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,1,0,0,0,0|1,0,1]=4 975 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|2,0,0]=4 976 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|2,0,0]=4 977 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|2,0,0]=4 978 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|2,0,0]=4 979 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|2,0,0]=4 980 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|2,0,0]=4 981 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|2,0,0]=4 982 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|2,0,0]=4 983 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|2,0,0]=4 984 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|2,0,0]=4 985 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,0]=3 986 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|2,0,0]=4 987 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|2,0,0]=4 988 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|2,0,0]=4 989 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|2,0,0]=4 990 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|2,0,0]=4 991 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|2,0,0]=4 992 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|1,0,1]=4 993 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|2,0,0]=4 994 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|2,0,0]=4 995 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|2,0,0]=4 996 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|2,0,0]=4 997 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|1,0,1]=4 998 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|1,0,1]=4 999 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,0,0,0,0|2,0,0]=4 1000 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|2,0,0]=4 1001 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|2,0,0]=4 1002 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|2,0,0]=4 1003 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|2,0,0]=4 1004 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|2,0,0]=4 1005 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|2,0,0]=4 1006 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|2,0,0]=4 1007 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|2,0,0]=4 1008 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|2,0,0]=4 1009 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|2,0,0]=4 1010 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|2,0,0]=4 1011 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|2,0,0]=4 1012 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|2,0,0]=4 1013 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|2,0,0]=4 1014 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|2,0,0]=4 1015 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|2,0,0]=4 1016 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|2,0,0]=4 1017 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|2,0,0]=4 1018 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|2,0,0]=4 1019 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|2,0,0]=4 1020 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|2,0,0]=4 1021 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|2,0,0]=4 1022 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|2,0,0]=4 1023 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|2,0,0]=4 1024 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|2,0,0]=4 1025 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,1,0,0,0,0|1,0,1]=4 1026 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,0]=3 1027 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,0]=3 1028 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 1029 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 1030 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 1031 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 1032 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 1033 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 1034 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 1036 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|2,0,0]=4 1037 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|2,0,0]=4 1038 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,1,0,0,0,0|2,0,0]=4 1039 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,1,0,0,0,0|2,0,0]=4 1040 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|1,0,0]=3 1041 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|2,0,0]=4 1042 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|2,0,0]=4 1043 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|2,0,0]=4 1044 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|2,0,0]=4 1045 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|2,0,0]=4 1046 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|1,0,1]=4 1047 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,1,0,0,0,0|2,0,0]=4 1048 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,1,0,0,0,0|2,0,0]=4 1049 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,1,0,0,0,0|1,0,1]=4 1050 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,1,0,0,0,0|1,0,1]=4 1051 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,1,0,0,0,0|2,0,0]=4 1052 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|2,0,0]=4 1053 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|2,0,0]=4 1054 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,1,0,0,0,0|2,0,0]=4 1055 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,1,0,0,0,0|2,0,0]=4 1056 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,1,0]=4 1057 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,1,0]=4 1058 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|1,1,0]=4 1059 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,1,0,0,0,0|1,0,1]=4 1060 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,1,0,0,0,0|1,0,1]=4 1061 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,1,0,0,0,0|1,0,1]=4 1062 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,1,0,0,0,0|2,0,0]=4 1063 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,1,0,0,0,0|2,0,0]=4 1064 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,1,0,0,0,0|2,0,0]=4 1065 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,1,0,0,0,0|2,0,0]=4 1066 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,1,0,0,0,0|1,0,0]=3 1067 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,1,0,0,0,0|1,0,0]=3 1068 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,1,0,0,0,0|2,0,0]=4 1069 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 1070 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 1071 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,1,0,0,0,0|1,0,0]=3 1072 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,1,0,0,0,0|1,0,0]=3 1073 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,1,0,0,0,0|2,0,0]=4 1074 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,1,0,0,0,0|2,0,0]=4 1075 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,1,0,0,0,0|1,0,0]=3 1076 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,1,0,0,0,0|1,0,0]=3 1077 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,1,0,0,0,0|2,0,0]=4 1078 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,1,0,0,0,0|2,0,0]=4 1079 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,1,0,0,0,0|2,0,0]=4 1080 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,1,0,0,0,0|1,0,0]=3 1081 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,1,0,0,0,0|2,0,0]=4 1082 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,1,0,0,0,0|2,0,0]=4 1083 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,1,0,0,0,0|2,0,0]=4 1084 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,1,0,0,0,0|2,0,0]=4 1085 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,1,0,0,0,0|2,0,0]=4 1086 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,1,0,0,0,0|1,0,0]=3 1087 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,1,0,0,0,0|1,0,0]=3 1088 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|2,0,0]=4 1089 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|1,0,1]=4 1090 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|2,0,0]=4 1091 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [1,1,0,0,0,0|2,0,0]=4 1092 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [1,1,0,0,0,0|1,0,1]=4 1093 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|1,0,0]=3 1094 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|0,0,0]=2 1095 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,1,0,0,0,0|2,0,0]=4 1096 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,1,0,0,0,0|1,0,0]=3 1097 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,1,0,0,0,0|1,0,1]=4 1098 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,1,0,0,0,0|1,0,1]=4 1099 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,1,0,0,0,0|1,0,1]=4 1100 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,1,0,0,0,0|1,0,1]=4 1101 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,1,0,0,0,0|1,0,1]=4 1102 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,1,0,0,0,0|1,0,1]=4 1103 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,1,0,0,0,0|0,0,1]=3 1104 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,1,0,0,0,0|0,0,1]=3 1105 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [1,1,0,0,0,0|1,0,1]=4 1106 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 1107 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|1,0,0]=3 1108 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|2,0,0]=4 1109 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|2,0,0]=4 1110 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 1111 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 1112 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 1113 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 1114 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|2,0,0]=4 1115 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|2,0,0]=4 1116 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,0]=3 1117 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|2,0,0]=4 1118 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|2,0,0]=4 1119 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|2,0,0]=4 1120 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|2,0,0]=4 1121 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|2,0,0]=4 1122 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|2,0,0]=4 1123 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 1124 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 1125 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 1126 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|1,0,0]=3 1127 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|1,0,1]=4 1128 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 1129 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 1130 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|1,0,1]=4 1131 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|1,0,1]=4 1132 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|2,0,0]=4 1133 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|2,0,0]=4 1134 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 1135 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|1,0,0]=3 1136 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 1137 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 1138 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|1,0,1]=4 1139 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|1,0,1]=4 1140 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [1,1,0,0,0,0|2,0,0]=4 1141 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [1,1,0,0,0,0|2,0,0]=4 1142 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [1,1,0,0,0,0|2,0,0]=4 1143 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [1,1,0,0,0,0|2,0,0]=4 1144 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [1,1,0,0,0,0|2,0,0]=4 1145 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [1,1,0,0,0,0|2,0,0]=4 1146 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [1,1,0,0,0,0|2,0,0]=4 1147 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [1,1,0,0,0,0|2,0,0]=4 1149 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [1,1,0,0,0,0|2,0,0]=4 1150 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [1,1,0,0,0,0|2,0,0]=4 1151 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [1,1,0,0,0,0|2,0,0]=4 1152 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,1,0,0,0,0|2,0,0]=4 1153 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,0,0,0,0|2,0,0]=4 1154 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,0,0,0,0|2,0,0]=4 1155 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,0,0,0,0|2,0,0]=4 1156 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 1157 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 1158 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 1159 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 1160 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 1161 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 1162 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|0,0,0]=2 1163 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 1164 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 1165 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|0,0,0]=2 1166 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|2,0,0]=4 1167 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|2,0,0]=4 1168 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|1,0,0]=3 1169 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,0,0,0,0|1,0,0]=3 1170 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,0,0,0,0|1,0,0]=3 1171 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,0,0,0,0|1,0,0]=3 1172 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|1,0,0]=3 1173 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,1,0,0,0,0|1,0,0]=3 1174 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,1,0,0,0,0|2,0,0]=4 1175 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,1,0,0,0,0|2,0,0]=4 1176 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,1,0,0,0,0|2,0,0]=4 1177 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [1,1,0,0,0,0|2,0,0]=4 1178 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,1,0,0,0,1|2,0,0]=4 1179 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,1,0,0,0,1|2,0,0]=4 1180 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,1,0,0,0,1|2,0,0]=4 1181 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,1,0,0,0,1|2,0,0]=4 1182 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,1,0,0,0,1|2,0,0]=4 1183 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,1,0,0,0,1|2,0,0]=4 1184 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,1,0,0,0,1|2,0,0]=4 1185 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,1,0,0,0,1|1,0,0]=3 1186 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,1,0,0,0,1|2,0,0]=4 1187 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,1,0,0,0,1|2,0,0]=4 1188 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,1,0,0,0,1|1,0,1]=4 1189 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [0,1,0,0,0,1|2,0,0]=4 1190 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [0,1,0,0,0,1|2,0,0]=4 1191 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [0,1,0,0,0,1|2,0,0]=4 1192 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [0,1,0,0,0,1|2,0,0]=4 1193 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,1,0,0,0,1|2,0,0]=4 1194 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,1,0,0,0,1|2,0,0]=4 1195 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,1,0,0,0,1|2,0,0]=4 1196 B10R0.32 CC(CCO)N(C)CC(=O)O 269956a_100000746989_100009893172 [0,1,0,0,0,1|2,0,0]=4 1197 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [0,1,0,0,0,1|2,0,0]=4 1198 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [0,1,0,0,0,1|2,0,0]=4 1199 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,1,0,0,0,1|2,0,0]=4 1200 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,1,0,0,0,1|2,0,0]=4 1201 B10R0.87 CCN(CCCO)CC(=O)O 269956a_100000746405_100011215043 [0,1,0,0,0,1|2,0,0]=4 1202 B10R0.87 CC[C@H](CC(=O)O)NCCO 269956a_100016995926_100000211926 [0,1,0,0,0,1|2,0,0]=4 1203 B10R0.87 O=C(O)C[C@@H](CO)NCCO 269956a_100009816507_100000211926 [0,1,0,0,0,1|2,0,0]=4 1204 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,1,0,0,0,1|2,0,0]=4 1205 B10R0.122 CC(C)(CC(=O)O)NCCO 269956a_100000755897_100000211926 [0,1,0,0,0,1|2,0,0]=4 1206 B10R0.13 CC(C(=O)O)N(C)C[C@@H](C)O 269956a_100000749554_100009817552 [0,2,0,0,0,0|2,0,0]=4 1207 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [0,2,0,0,0,0|2,0,0]=4 1208 B10R0.25 CC(C(=O)O)N(CF)CCO 269956a_100011300695_100015361967 [0,2,0,0,0,0|2,0,0]=4 1209 B10R0.25 CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210202 [0,2,0,0,0,0|2,0,0]=4 1210 B10R0.35 CC(CCO)N(C)C(=O)CO 240690a_100000731037_100000210174 [0,2,0,0,0,0|2,0,0]=4 1211 B10R0.35 CC(CCO)N(C)C(=O)CO 527a_100000731037_100000210174 [0,2,0,0,0,0|2,0,0]=4 1212 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [0,2,0,0,0,0|2,0,0]=4 1213 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100011216618_100000211248 [0,2,0,0,0,0|1,0,1]=4 1214 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100012027023_100000211926 [0,2,0,0,0,0|1,0,1]=4 1215 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 1216 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 1217 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 1218 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 1219 B10R0.35 COC(=O)[C@@H](N)[C@@H](C)OCF 34a_100000004424_100015361967 [0,2,0,0,0,0|2,0,0]=4 1220 B10R0.56 CC(C(=O)O)N(C)[C@H](C)CO 269956a_100000749554_100016084084 [0,2,0,0,0,0|2,0,0]=4 1221 B10R0.101 CN(CCO)[C@@H](CO)C(=O)O 269956a_100015362447_100000211926 [0,2,0,0,0,0|2,0,0]=4 1222 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,0,0,0,0|2,0,0]=4 1223 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 1224 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 1225 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,2,0,0,0,0|2,0,0]=4 1226 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,2,0,0,0,0|2,0,0]=4 1227 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,2,0,0,0,0|2,0,0]=4 1228 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,2,0,0,0,0|2,0,0]=4 1229 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,2,0,0,0,0|2,0,0]=4 1230 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,2,0,0,0,0|2,0,0]=4 1231 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,2,0,0,0,0|2,0,0]=4 1232 B10R0.82 C=CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000730141 [0,2,0,0,0,0|2,0,0]=4 1233 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 1234 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 1235 B10R0.82 CC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100009814033 [0,2,0,0,0,0|2,0,0]=4 1236 B10R0.82 CC(=O)C(C)OCC(O)CO 34a_100000212229_100011219619 [0,2,0,0,0,0|2,0,0]=4 1237 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,2,0,0,0,0|2,0,0]=4 1238 B10R0.82 CC(=O)C(C)OC[C@@H](O)CO 34a_100000212229_100009815848 [0,2,0,0,0,0|2,0,0]=4 1239 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100009814033_100011219619 [0,2,0,0,0,0|2,0,0]=4 1240 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100011219619_100009814033 [0,2,0,0,0,0|2,0,0]=4 1241 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,2,0,0,0,0|2,0,0]=4 1242 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,2,0,0,0,0|2,0,0]=4 1243 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009814033_100009815848 [0,2,0,0,0,0|2,0,0]=4 1244 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100009814033 [0,2,0,0,0,0|2,0,0]=4 1245 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,2,0,0,0,0|1,0,0]=3 1246 B10R0.82 CC(CO)CNC(C)C(=O)N 34a_100000744482_100000702099 [0,2,0,0,0,0|2,0,0]=4 1247 B10R0.82 CC(CO)CNC(F)C(=O)N 34a_100000744482_100009813875 [0,2,0,0,0,0|2,0,0]=4 1248 B10R0.82 CC(CO)CNC(F)C(=O)[O-] 34a_100000744482_100020610796 [0,2,0,0,0,0|1,0,1]=4 1249 B10R0.82 CC(CO)OC[C@H](N)C(=O)N 34a_100000729942_100012180447 [0,2,0,0,0,0|1,0,0]=3 1250 B10R0.82 CC(NC[C@@H](F)CO)C(=O)N 34a_100015665980_100000702099 [0,2,0,0,0,0|2,0,0]=4 1251 B10R0.82 CC(NC[C@H](O)CO)C(=O)N 2230a_100020644852_100000702099 [0,2,0,0,0,0|2,0,0]=4 1252 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100000702099_100011219619 [0,2,0,0,0,0|2,0,0]=4 1253 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100011219619_100000702099 [0,2,0,0,0,0|2,0,0]=4 1254 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000702099 [0,2,0,0,0,0|2,0,0]=4 1255 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000702099_100000059175 [0,2,0,0,0,0|2,0,0]=4 1256 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100000702099_100009815848 [0,2,0,0,0,0|2,0,0]=4 1257 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100009815848_100000702099 [0,2,0,0,0,0|2,0,0]=4 1258 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,2,0,0,0,0|2,0,0]=4 1259 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,2,0,0,0,0|2,0,0]=4 1260 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,2,0,0,0,0|2,0,0]=4 1261 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,2,0,0,0,0|2,0,0]=4 1262 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,2,0,0,0,0|2,0,0]=4 1263 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,2,0,0,0,0|2,0,0]=4 1264 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,2,0,0,0,0|2,0,0]=4 1265 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,2,0,0,0,0|2,0,0]=4 1266 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,2,0,0,0,0|1,0,0]=3 1267 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 2230a_100000119354_100000059175 [0,2,0,0,0,0|2,0,0]=4 1268 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 34a_100000119354_100000059175 [0,2,0,0,0,0|2,0,0]=4 1269 B10R0.82 C[C@@H](CO)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000059175 [0,2,0,0,0,0|1,0,1]=4 1270 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 34a_100000731257_100000059175 [0,2,0,0,0,0|2,0,0]=4 1271 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 7a_100000731257_100000059175 [0,2,0,0,0,0|2,0,0]=4 1272 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100000059175_100009813875 [0,2,0,0,0,0|2,0,0]=4 1273 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100009813875_100000059175 [0,2,0,0,0,0|2,0,0]=4 1274 B10R0.82 C[C@@H](CO)CSC(F)C(=O)[O-] 62a_100000059175_100020610796 [0,2,0,0,0,0|1,0,1]=4 1275 B10R0.82 C[C@@H](CO)CSC(F)C(=O)[O-] 62a_100020610796_100000059175 [0,2,0,0,0,0|1,0,1]=4 1276 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 2230a_100000119354_100011219619 [0,2,0,0,0,0|2,0,0]=4 1277 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 34a_100000119354_100011219619 [0,2,0,0,0,0|2,0,0]=4 1278 B10R0.82 C[C@@H](NC[C@@H](O)CO)C(=O)N 2230a_100000119354_100009815848 [0,2,0,0,0,0|2,0,0]=4 1279 B10R0.82 C[C@@H](NC[C@@H](O)CO)C(=O)N 34a_100000119354_100009815848 [0,2,0,0,0,0|2,0,0]=4 1280 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 34a_100000731257_100011219619 [0,2,0,0,0,0|2,0,0]=4 1281 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 7a_100000731257_100011219619 [0,2,0,0,0,0|2,0,0]=4 1282 B10R0.82 C[C@@H](OC[C@@H](O)CO)C(=O)N 34a_100000731257_100009815848 [0,2,0,0,0,0|2,0,0]=4 1283 B10R0.82 C[C@@H](OC[C@@H](O)CO)C(=O)N 7a_100000731257_100009815848 [0,2,0,0,0,0|2,0,0]=4 1284 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,2,0,0,0,0|1,0,0]=3 1285 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,2,0,0,0,0|1,0,0]=3 1286 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,2,0,0,0,0|2,0,0]=4 1287 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,2,0,0,0,0|1,0,0]=3 1288 B10R0.82 C[C@H](OCC(O)CO)C(=O)[O-] 7a_217856618621_100011219619 [0,2,0,0,0,0|1,0,1]=4 1289 B10R0.82 C[C@H](OC[C@@H](O)CO)C(=O)[O-] 7a_217856618621_100009815848 [0,2,0,0,0,0|1,0,1]=4 1290 B10R0.82 NC(=O)C(F)NC[C@@H](F)CO 34a_100015665980_100009813875 [0,2,0,0,0,0|2,0,0]=4 1291 B10R0.82 NC(=O)C(F)NC[C@H](O)CO 2230a_100020644852_100009813875 [0,2,0,0,0,0|2,0,0]=4 1292 B10R0.82 NC(=O)C(F)SCC(O)CO 62a_100009813875_100011219619 [0,2,0,0,0,0|2,0,0]=4 1293 B10R0.82 NC(=O)C(F)SCC(O)CO 62a_100011219619_100009813875 [0,2,0,0,0,0|2,0,0]=4 1294 B10R0.82 NC(=O)C(F)SC[C@@H](O)CO 62a_100009813875_100009815848 [0,2,0,0,0,0|2,0,0]=4 1295 B10R0.82 NC(=O)C(F)SC[C@@H](O)CO 62a_100009815848_100009813875 [0,2,0,0,0,0|2,0,0]=4 1296 B10R0.82 O=C([O-])C(F)NC[C@@H](F)CO 34a_100015665980_100020610796 [0,2,0,0,0,0|1,0,1]=4 1297 B10R0.82 O=C([O-])C(F)SCC(O)CO 62a_100011219619_100020610796 [0,2,0,0,0,0|1,0,1]=4 1298 B10R0.82 O=C([O-])C(F)SCC(O)CO 62a_100020610796_100011219619 [0,2,0,0,0,0|1,0,1]=4 1299 B10R0.82 O=C([O-])C(F)SC[C@@H](O)CO 62a_100009815848_100020610796 [0,2,0,0,0,0|1,0,1]=4 1300 B10R0.82 O=C([O-])C(F)SC[C@@H](O)CO 62a_100020610796_100009815848 [0,2,0,0,0,0|1,0,1]=4 1301 B10R0.84 C=C[C@H](NCC(C)O)C(=O)O 269956a_100016992060_100011218427 [0,2,0,0,0,0|2,0,0]=4 1302 B10R0.84 C=C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100016992060_100009817552 [0,2,0,0,0,0|2,0,0]=4 1303 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,2,0,0,0,0|2,0,0]=4 1304 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,2,0,0,0,0|2,0,0]=4 1305 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,2,0,0,0,0|2,0,0]=4 1306 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,2,0,0,0,0|2,0,0]=4 1307 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,2,0,0,0,0|1,0,1]=4 1308 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,2,0,0,0,0|1,0,1]=4 1309 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,2,0,0,0,0|2,0,0]=4 1310 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,2,0,0,0,0|2,0,0]=4 1311 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,2,0,0,0,0|2,0,0]=4 1312 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|2,0,0]=4 1313 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|2,0,0]=4 1314 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|2,0,0]=4 1315 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|2,0,0]=4 1316 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,2,0,0,0,0|2,0,0]=4 1317 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,2,0,0,0,0|2,0,0]=4 1318 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 1319 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,2,0,0,0,0|2,0,0]=4 1320 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,2,0,0,0,0|2,0,0]=4 1321 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,2,0,0,0,0|2,0,0]=4 1322 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,2,0,0,0,0|2,0,0]=4 1323 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,2,0,0,0,0|2,0,0]=4 1324 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,2,0,0,0,0|2,0,0]=4 1325 B10R0.19 CN(CCCO)C(=O)CCO 240690a_100000213112_100011216618 [0,2,0,0,0,0|2,0,0]=4 1326 B10R0.19 COCC(=O)N(C)CCCO 240690a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 1327 B10R0.19 COCC(=O)N(C)CCCO 527a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 1328 B10R0.46 CN(CC(O)CO)C(=O)CO 240690a_100011216503_100000210174 [0,2,0,0,0,0|2,0,0]=4 1329 B10R0.46 CN(CC(O)CO)C(=O)CO 527a_100011216503_100000210174 [0,2,0,0,0,0|2,0,0]=4 1330 B10R0.46 COC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000211248 [0,2,0,0,0,0|2,0,0]=4 1331 B10R0.46 COC(=O)C(C)OC(C)CO 34a_100011215400_100012180447 [0,2,0,0,0,0|2,0,0]=4 1332 B10R0.46 COC(=O)C(C)SC(C)CO 62a_100012180447_100000211248 [0,2,0,0,0,0|2,0,0]=4 1333 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100000211248_100016084084 [0,2,0,0,0,0|2,0,0]=4 1334 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000211248 [0,2,0,0,0,0|2,0,0]=4 1335 B10R0.83 C#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000184674 [0,2,0,0,0,0|1,0,1]=4 1336 B10R0.83 C=C(CNCCO)C(=O)OC 34a_100016990907_100009813391 [0,2,0,0,0,0|1,0,1]=4 1337 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100000211926_100009813391 [0,2,0,0,0,0|1,0,1]=4 1338 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100009813391_100000211926 [0,2,0,0,0,0|1,0,1]=4 1339 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [0,2,0,0,0,0|1,0,1]=4 1340 B10R0.83 CC(OCCCO)C(=O)NN 34a_100000725659_100000230001 [0,2,0,0,0,0|2,0,0]=4 1341 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,2,0,0,0,0|2,0,0]=4 1342 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,2,0,0,0,0|2,0,0]=4 1343 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|2,0,0]=4 1344 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|2,0,0]=4 1345 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|2,0,0]=4 1346 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|2,0,0]=4 1347 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|2,0,0]=4 1348 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|2,0,0]=4 1349 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|2,0,0]=4 1350 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|2,0,0]=4 1351 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|2,0,0]=4 1352 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|2,0,0]=4 1353 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|2,0,0]=4 1354 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|2,0,0]=4 1355 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,2,0,0,0,0|2,0,0]=4 1356 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|1,0,0]=3 1357 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|2,0,0]=4 1358 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|2,0,0]=4 1359 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|2,0,0]=4 1360 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|2,0,0]=4 1361 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|2,0,0]=4 1362 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|2,0,0]=4 1363 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,2,0,0,0,0|2,0,0]=4 1364 B10R0.83 CNC(=O)C(C)CNCCO 2230a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 1365 B10R0.83 CNC(=O)C(C)CNCCO 34a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 1366 B10R0.83 CNC(=O)C(C)SCCCO 62a_100000209862_100011215043 [0,2,0,0,0,0|2,0,0]=4 1367 B10R0.83 CNC(=O)C(C)SCCCO 62a_100011215043_100000731044 [0,2,0,0,0,0|2,0,0]=4 1368 B10R0.83 CNC(=O)C(F)SCCCO 62a_100009813575_100011215043 [0,2,0,0,0,0|2,0,0]=4 1369 B10R0.83 CNC(=O)C(F)SCCCO 62a_100011215043_100009813575 [0,2,0,0,0,0|2,0,0]=4 1370 B10R0.83 CNC(=O)[C@@H](C)NCCCO 2230a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 1371 B10R0.83 CNC(=O)[C@@H](C)NCCCO 34a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 1372 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [0,2,0,0,0,0|1,0,1]=4 1373 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [0,2,0,0,0,0|1,0,1]=4 1374 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [0,2,0,0,0,0|1,0,1]=4 1375 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,2,0,0,0,0|1,0,1]=4 1376 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,2,0,0,0,0|1,0,1]=4 1377 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|2,0,0]=4 1378 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|2,0,0]=4 1379 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,2,0,0,0,0|2,0,0]=4 1380 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,2,0,0,0,0|1,0,0]=3 1381 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 1382 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 1383 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 1384 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|2,0,0]=4 1385 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,2,0,0,0,0|1,0,0]=3 1386 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,2,0,0,0,0|1,0,0]=3 1387 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,2,0,0,0,0|2,0,0]=4 1388 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,2,0,0,0,0|2,0,0]=4 1389 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,2,0,0,0,0|1,0,0]=3 1390 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,2,0,0,0,0|1,0,0]=3 1391 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 1392 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 1393 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|2,0,0]=4 1394 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|2,0,0]=4 1395 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|2,0,0]=4 1396 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|2,0,0]=4 1397 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|2,0,0]=4 1398 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|1,0,0]=3 1399 B10R0.83 COC(=O)C(C)OCCON 34a_100000700252_100000211248 [0,2,0,0,0,0|2,0,0]=4 1400 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|2,0,0]=4 1401 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|2,0,0]=4 1402 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|1,0,0]=3 1403 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|1,0,0]=3 1404 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,2,0,0,0,0|2,0,0]=4 1405 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,2,0,0,0,0|1,0,0]=3 1406 B10R0.83 COC(=O)[C@H](N)COCC=O 34a_100000003586_200009817547 [0,2,0,0,0,0|0,0,2]=4 1407 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,0,0,0,0|1,0,0]=3 1408 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,0,0,0,0|0,0,0]=2 1409 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|1,1,0]=4 1410 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 1411 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 1412 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|2,0,0]=4 1413 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|2,0,0]=4 1414 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|2,0,0]=4 1415 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|2,0,0]=4 1416 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|2,0,0]=4 1417 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,2,0,0,0,0|2,0,0]=4 1418 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,2,0,0,0,0|2,0,0]=4 1419 B10R0.83 NNC(=O)C(N)COCCF 34a_100016989258_100011217306 [0,2,0,0,0,0|2,0,0]=4 1420 B10R0.83 NNC(=O)C(N)COCCO 34a_100016989258_100000211926 [0,2,0,0,0,0|1,0,0]=3 1421 B10R0.85 CCC(NCCO)C(=O)OC 2230a_100016997473_100000235869 [0,2,0,0,0,0|2,0,0]=4 1422 B10R0.85 CCC(NCCO)C(=O)OC 34a_100016990907_100000235869 [0,2,0,0,0,0|2,0,0]=4 1423 B10R0.85 CCC(OCCO)C(=O)OC 34a_100000695916_100000211926 [0,2,0,0,0,0|2,0,0]=4 1424 B10R0.85 CCC(OCCO)C(=O)OC 7a_100000695916_100000211926 [0,2,0,0,0,0|2,0,0]=4 1425 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000211926_100000235869 [0,2,0,0,0,0|2,0,0]=4 1426 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000235869_100000211926 [0,2,0,0,0,0|2,0,0]=4 1427 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,2,0,0,0,0|2,0,0]=4 1428 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,0,0,0,0|1,0,0]=3 1429 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,0,0,0,0|1,0,0]=3 1430 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,0,0,0,0|1,0,0]=3 1431 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,0,0,0,0|2,0,0]=4 1432 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,0,0,0,0|2,0,0]=4 1433 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,0,0,0,0|2,0,0]=4 1434 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,0,0,0,0|2,0,0]=4 1435 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,0,0,0,0|2,0,0]=4 1436 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [0,2,0,0,0,0|2,0,0]=4 1437 B10R0.85 COC(=O)C(C=O)NCCO 34a_100016990907_100000046368 [0,2,0,0,0,0|2,0,0]=4 1438 B10R0.85 COC(=O)C(C=O)SCCO 62a_100000046368_100000211926 [0,2,0,0,0,0|2,0,0]=4 1439 B10R0.85 COC(=O)C(C=O)SCCO 62a_100000211926_100000046368 [0,2,0,0,0,0|2,0,0]=4 1440 B10R0.85 COC(=O)C(CN)OCCF 34a_100000695228_100011217306 [0,2,0,0,0,0|2,0,0]=4 1441 B10R0.85 COC(=O)C(CN)OCCO 34a_100000695228_100000211926 [0,2,0,0,0,0|1,0,0]=3 1442 B10R0.85 COC(=O)C(CO)NCCO 34a_100016990907_100012276630 [0,2,0,0,0,0|2,0,0]=4 1443 B10R0.85 COC(=O)C(CO)SCCO 62a_100000211926_100012276630 [0,2,0,0,0,0|2,0,0]=4 1444 B10R0.85 COC(=O)C(CO)SCCO 62a_100012276630_100000211926 [0,2,0,0,0,0|2,0,0]=4 1445 B10R0.85 COC(=O)C(NCCO)OC 34a_100016990907_100000101307 [0,2,0,0,0,0|2,0,0]=4 1446 B10R0.85 COC(=O)C(OC)OCCO 34a_100000036821_100000211926 [0,2,0,0,0,0|2,0,0]=4 1447 B10R0.85 COC(=O)C(OC)SCCO 62a_100000101307_100000211926 [0,2,0,0,0,0|2,0,0]=4 1448 B10R0.85 COC(=O)C(OC)SCCO 62a_100000211926_100000101307 [0,2,0,0,0,0|2,0,0]=4 1449 B10R0.124 COC(=O)C(C)(C)NCCO 2230a_100016997473_100000689032 [0,2,0,0,0,0|2,0,0]=4 1450 B10R0.124 COC(=O)C(C)(C)OCCO 34a_100011217581_100000211926 [0,2,0,0,0,0|2,0,0]=4 1451 B10R0.124 COC(=O)C(C)(C)OCCO 7a_100011217581_100000211926 [0,2,0,0,0,0|2,0,0]=4 1452 B10R0.124 COC(=O)C(C)(C)SCCO 62a_100000211926_100000689032 [0,2,0,0,0,0|2,0,0]=4 1453 B10R0.124 COC(=O)C(C)(C)SCCO 62a_100000689032_100000211926 [0,2,0,0,0,0|2,0,0]=4 1454 B10R0.124 COC(=O)C(C)(F)NCCO 2230a_100016997473_200009867631 [0,2,0,0,0,0|2,0,0]=4 1455 B10R0.124 COC(=O)C(C)(F)NCCO 34a_100016990907_200009867631 [0,2,0,0,0,0|2,0,0]=4 1456 B10R0.124 COC(=O)C(C)(F)SCCO 62a_100000211926_200009867631 [0,2,0,0,0,0|2,0,0]=4 1457 B10R0.124 COC(=O)C(C)(F)SCCO 62a_200009867631_100000211926 [0,2,0,0,0,0|2,0,0]=4 1458 B10R0.124 COC(=O)C(F)(F)NCCO 34a_100016990907_100000211177 [0,2,0,0,0,0|2,0,0]=4 1459 B10R0.124 COC(=O)C(F)(F)SCCO 62a_100000211177_100000211926 [0,2,0,0,0,0|2,0,0]=4 1460 B10R0.124 COC(=O)C(F)(F)SCCO 62a_100000211926_100000211177 [0,2,0,0,0,0|2,0,0]=4 1461 B10R0.17 CC(C)[C@@H](NCCO)C(=O)O 269956a_100000745019_100000211926 [0,2,0,0,0,0|2,0,0]=4 1462 B10R0.17 CC(O)C(NCCO)C(=O)O 269956a_100000185852_100000211926 [0,2,0,0,0,0|2,0,0]=4 1463 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [0,2,0,0,0,0|2,0,0]=4 1464 B10R0.17 CCCCC(C(=O)N)N(C)C 2230a_100102631434_100000748834 [0,2,0,0,0,0|2,0,0]=4 1465 B10R0.17 CCCCC(C(=O)N)N(C)C 269982a_100102631434_100000748834 [0,2,0,0,0,0|2,0,0]=4 1466 B10R0.17 NC(=O)C(NCCO)C(=O)N 2230a_100000025885_100000211926 [0,2,0,0,0,0|2,0,0]=4 1467 B10R0.53 C=C[C@H](N[C@H](C)CO)C(=O)O 269956a_100016992060_100016084084 [0,2,0,0,0,0|2,0,0]=4 1468 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,2,0,0,0,0|2,0,0]=4 1469 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,2,0,0,0,0|2,0,0]=4 1470 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,2,0,0,0,0|2,0,0]=4 1471 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,2,0,0,0,0|2,0,0]=4 1472 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,2,0,0,0,0|1,0,0]=3 1473 B10R0.86 C=C[C@H](NCCOC)C(=O)O 269956a_100016992060_100000233755 [0,2,0,0,0,0|2,0,0]=4 1474 B10R0.86 CCC(NCCCO)C(=O)N 2230a_100000733705_100000230001 [0,2,0,0,0,0|2,0,0]=4 1475 B10R0.86 CCC(NCCCO)C(=O)N 34a_100000733705_100000230001 [0,2,0,0,0,0|2,0,0]=4 1476 B10R0.86 CCC(SCCCO)C(=O)N 62a_100000750255_100011215043 [0,2,0,0,0,0|2,0,0]=4 1477 B10R0.86 CCC(SCCCO)C(=O)N 62a_100011215043_100000750255 [0,2,0,0,0,0|2,0,0]=4 1478 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,2,0,0,0,0|2,0,0]=4 1479 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,0,0,0,0|2,0,0]=4 1480 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,2,0,0,0,0|2,0,0]=4 1481 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,2,0,0,0,0|1,0,0]=3 1482 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [0,2,0,0,0,0|2,0,0]=4 1483 B10R0.86 COCCNC(CO)C(=O)O 269956a_100000187304_100000233755 [0,2,0,0,0,0|2,0,0]=4 1484 B10R0.86 N#CC(NCCCO)C(=O)N 2230a_100000039599_100000230001 [0,2,0,0,0,0|1,0,1]=4 1485 B10R0.86 NC(=O)[C@H](CO)NCCCO 2230a_100000729942_100000230001 [0,2,0,0,0,0|2,0,0]=4 1486 B10R0.86 NC(=O)[C@H](CO)NCCCO 34a_100000729942_100000230001 [0,2,0,0,0,0|2,0,0]=4 1487 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,2,0,0,0,0|2,0,0]=4 1488 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,2,0,0,0,0|1,0,0]=3 1489 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,2,0,0,0,0|2,0,0]=4 1490 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,2,0,0,0,0|2,0,0]=4 1491 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,2,0,0,0,0|2,0,0]=4 1492 B10R0.88 CCCC[C@H](NCF)C(=O)N 34a_100000124899_100015361967 [0,2,0,0,0,0|2,0,0]=4 1493 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [0,2,0,0,0,0|2,0,0]=4 1494 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,2,0,0,0,0|2,0,0]=4 1495 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,2,0,0,0,0|2,0,0]=4 1496 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [0,2,0,0,0,0|2,0,0]=4 1497 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,2,0,0,0,0|2,0,0]=4 1498 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [0,2,0,0,0,0|2,0,0]=4 1499 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,2,0,0,0,0|2,0,0]=4 1500 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [0,2,0,0,0,0|2,0,0]=4 1501 B10R0.133 CCC(C)(NCCO)C(=O)O 269956a_100025756313_100000211926 [0,2,0,0,0,0|2,0,0]=4 1502 B10R0.26 CC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100009814033 [0,2,0,0,0,0|2,0,0]=4 1503 B10R0.26 CC(=O)C(C)OC(C)CCO 34a_100000212229_100009893172 [0,2,0,0,0,0|2,0,0]=4 1504 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009814033_100009893172 [0,2,0,0,0,0|2,0,0]=4 1505 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009893172_100009814033 [0,2,0,0,0,0|2,0,0]=4 1506 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,2,0,0,0,0|1,0,0]=3 1507 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 2230a_100000119354_100009893172 [0,2,0,0,0,0|2,0,0]=4 1508 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 34a_100000119354_100009893172 [0,2,0,0,0,0|2,0,0]=4 1509 B10R0.26 CC(CCO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100009893172 [0,2,0,0,0,0|1,0,1]=4 1510 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 34a_100000731257_100009893172 [0,2,0,0,0,0|2,0,0]=4 1511 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 7a_100000731257_100009893172 [0,2,0,0,0,0|2,0,0]=4 1512 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100000702099_100009893172 [0,2,0,0,0,0|2,0,0]=4 1513 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100009893172_100000702099 [0,2,0,0,0,0|2,0,0]=4 1514 B10R0.26 CC(CCO)SC(F)C(=O)N 62a_100009813875_100009893172 [0,2,0,0,0,0|2,0,0]=4 1515 B10R0.26 CC(CCO)SC(F)C(=O)N 62a_100009893172_100009813875 [0,2,0,0,0,0|2,0,0]=4 1516 B10R0.26 CC(CCO)SC(F)C(=O)[O-] 62a_100009893172_100020610796 [0,2,0,0,0,0|1,0,1]=4 1517 B10R0.26 CC(CCO)SC(F)C(=O)[O-] 62a_100020610796_100009893172 [0,2,0,0,0,0|1,0,1]=4 1518 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 2230a_100000706166_100000702099 [0,2,0,0,0,0|2,0,0]=4 1519 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 34a_100000706166_100000702099 [0,2,0,0,0,0|2,0,0]=4 1520 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|2,0,0]=4 1521 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,2,0,0,0,0|2,0,0]=4 1522 B10R0.26 C[C@H](CCO)NC(F)C(=O)N 2230a_100000706166_100009813875 [0,2,0,0,0,0|2,0,0]=4 1523 B10R0.26 C[C@H](CCO)NC(F)C(=O)N 34a_100000706166_100009813875 [0,2,0,0,0,0|2,0,0]=4 1524 B10R0.26 C[C@H](CCO)NC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,2,0,0,0,0|1,0,1]=4 1525 B10R0.67 C[C@H](NC(F)(F)CO)C(=O)O 269956a_100000743915_100011217949 [0,2,0,0,0,0|2,0,0]=4 1526 B10R0.42 CC(=O)C(C)(C)OCCCO 34a_100000747739_100000230001 [0,2,0,0,0,0|2,0,0]=4 1527 B10R0.42 CC(=O)C(C)(C)OCCCO 7a_100000747739_100011215043 [0,2,0,0,0,0|2,0,0]=4 1528 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100000075568_100011215043 [0,2,0,0,0,0|2,0,0]=4 1529 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100011215043_100000075568 [0,2,0,0,0,0|2,0,0]=4 1530 B10R0.42 CC(C)(CNCCF)C(=O)O 269956a_100000693527_100011217306 [0,2,0,0,0,0|2,0,0]=4 1531 B10R0.42 CC(C)(CNCCO)C(=O)N 2230a_100000740840_100000211926 [0,2,0,0,0,0|2,0,0]=4 1532 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100000740840_100000211926 [0,2,0,0,0,0|2,0,0]=4 1533 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100016990907_200009895572 [0,2,0,0,0,0|2,0,0]=4 1534 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [0,2,0,0,0,0|1,0,0]=3 1535 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_100000211926_200009895572 [0,2,0,0,0,0|2,0,0]=4 1536 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_200009895572_100000211926 [0,2,0,0,0,0|2,0,0]=4 1537 B10R0.42 CC(C)(NCCCO)C(=O)N 2230a_100000743658_100000230001 [0,2,0,0,0,0|2,0,0]=4 1538 B10R0.42 CC(C)(NCCCO)C(=O)N 34a_100000743658_100000230001 [0,2,0,0,0,0|2,0,0]=4 1539 B10R0.42 CC(C)(OCCCO)C(=O)N 34a_100011626353_100000230001 [0,2,0,0,0,0|2,0,0]=4 1540 B10R0.42 CC(C)(OCCCO)C(=O)N 7a_100011626353_100011215043 [0,2,0,0,0,0|2,0,0]=4 1541 B10R0.42 CC(C)(ONCCO)C(=O)O 269956a_100016989451_100000211926 [0,2,0,0,0,0|2,0,0]=4 1542 B10R0.42 CC(C)(SCCCO)C(=O)N 62a_100000702505_100011215043 [0,2,0,0,0,0|2,0,0]=4 1543 B10R0.42 CC(C)(SCCCO)C(=O)N 62a_100011215043_100000702505 [0,2,0,0,0,0|2,0,0]=4 1544 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,2,0,0,0,0|2,0,0]=4 1545 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,2,0,0,0,0|2,0,0]=4 1546 B10R0.42 COCNCC(C)(C)C(=O)O 269956a_100000693527_100000766300 [0,2,0,0,0,0|2,0,0]=4 1547 B10R0.42 COCNCC(F)(F)C(=O)O 269956a_100000734215_100000766300 [0,2,0,0,0,0|2,0,0]=4 1548 B10R0.42 NC(=O)C(F)(F)SCCCO 62a_100009811971_100011215043 [0,2,0,0,0,0|2,0,0]=4 1549 B10R0.42 NC(=O)C(F)(F)SCCCO 62a_100011215043_100009811971 [0,2,0,0,0,0|2,0,0]=4 1550 B10R0.42 O=C(O)C(F)(F)CNCCF 269956a_100000734215_100011217306 [0,2,0,0,0,0|2,0,0]=4 1551 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [0,2,0,0,0,0|1,0,0]=3 1552 B10R0.42 O=C([O-])C(F)(F)SCCCO 62a_100000745680_100011215043 [0,2,0,0,0,0|1,0,1]=4 1553 B10R0.42 O=C([O-])C(F)(F)SCCCO 62a_100011215043_100000745680 [0,2,0,0,0,0|1,0,1]=4 1554 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,2,0,0,0,0|2,0,0]=4 1555 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,2,0,0,0,0|2,0,0]=4 1556 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,2,0,0,0,0|2,0,0]=4 1557 B10R0.75 C#CCCOC[C@H](N)C(=O)N 34a_100000729942_100000688953 [0,2,0,0,0,0|2,0,0]=4 1558 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,2,0,0,0,0|2,0,0]=4 1559 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,2,0,0,0,0|2,0,0]=4 1560 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,2,0,0,0,0|2,0,0]=4 1561 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [0,2,0,0,0,0|2,0,0]=4 1562 B10R0.75 C=COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000039644 [0,2,0,0,0,0|2,0,0]=4 1563 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,2,0,0,0,0|2,0,0]=4 1564 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,2,0,0,0,0|2,0,0]=4 1565 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|2,0,0]=4 1566 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|2,0,0]=4 1567 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|2,0,0]=4 1568 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|2,0,0]=4 1569 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,2,0,0,0,0|2,0,0]=4 1570 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,2,0,0,0,0|2,0,0]=4 1571 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,2,0,0,0,0|1,0,0]=3 1572 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 1573 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 1574 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 1575 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,2,0,0,0,0|2,0,0]=4 1576 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|2,0,0]=4 1577 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|2,0,0]=4 1578 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|2,0,0]=4 1579 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|2,0,0]=4 1580 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,2,0,0,0,0|2,0,0]=4 1581 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,2,0,0,0,0|2,0,0]=4 1582 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,2,0,0,0,0|2,0,0]=4 1583 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,0,0,0,0|2,0,0]=4 1584 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,2,0,0,0,0|2,0,0]=4 1585 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,2,0,0,0,0|2,0,0]=4 1586 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,2,0,0,0,0|1,0,1]=4 1587 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,2,0,0,0,0|1,0,0]=3 1588 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 1589 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 1590 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|2,0,0]=4 1591 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,2,0,0,0,0|2,0,0]=4 1592 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,2,0,0,0,0|2,0,0]=4 1593 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,2,0,0,0,0|1,0,1]=4 1594 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,2,0,0,0,0|1,0,1]=4 1595 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 1596 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 1597 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,2,0,0,0,0|2,0,0]=4 1598 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,2,0,0,0,0|2,0,0]=4 1599 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,2,0,0,0,0|2,0,0]=4 1600 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,2,0,0,0,0|2,0,0]=4 1601 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,2,0,0,0,0|2,0,0]=4 1602 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,2,0,0,0,0|2,0,0]=4 1603 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,2,0,0,0,0|1,0,1]=4 1604 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,2,0,0,0,0|1,0,1]=4 1605 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,2,0,0,0,0|1,0,0]=3 1606 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,2,0,0,0,0|1,0,0]=3 1607 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,2,0,0,0,0|2,0,0]=4 1608 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,2,0,0,0,0|2,0,0]=4 1609 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,2,0,0,0,0|1,0,0]=3 1610 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|1,1,0]=4 1611 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,0,0,0,0|1,1,0]=4 1612 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,2,0,0,0,0|1,1,0]=4 1613 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,2,0,0,0,0|2,0,0]=4 1614 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,2,0,0,0,0|2,0,0]=4 1615 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,2,0,0,0,0|2,0,0]=4 1616 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,2,0,0,0,0|2,0,0]=4 1617 B10R0.75 C[C@H](NCC#CCO)C(=O)O 269956a_100000743915_200000047223 [0,2,0,0,0,0|1,0,1]=4 1618 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,2,0,0,0,0|2,0,0]=4 1619 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,2,0,0,0,0|1,0,1]=4 1620 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,2,0,0,0,0|2,0,0]=4 1621 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,2,0,0,0,0|1,0,0]=3 1622 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,2,0,0,0,0|1,0,1]=4 1623 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,2,0,0,0,0|2,0,0]=4 1624 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 1625 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 1626 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 1627 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,2,0,0,0,0|2,0,0]=4 1628 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,2,0,0,0,0|2,0,0]=4 1629 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,2,0,0,0,0|1,0,0]=3 1630 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,2,0,0,0,0|2,0,0]=4 1631 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,2,0,0,0,0|1,0,0]=3 1632 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,2,0,0,0,0|1,0,1]=4 1633 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,2,0,0,0,0|1,0,1]=4 1634 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,2,0,0,0,0|1,0,1]=4 1635 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,2,0,0,0,0|2,0,0]=4 1636 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,2,0,0,0,0|2,0,0]=4 1637 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,2,0,0,0,0|2,0,0]=4 1638 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,2,0,0,0,0|2,0,0]=4 1639 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,2,0,0,0,0|2,0,0]=4 1640 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,2,0,0,0,0|2,0,0]=4 1641 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,2,0,0,0,0|2,0,0]=4 1642 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,2,0,0,0,0|2,0,0]=4 1643 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,2,0,0,0,0|2,0,0]=4 1644 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,2,0,0,0,0|2,0,0]=4 1645 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,2,0,0,0,0|2,0,0]=4 1646 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,2,0,0,0,0|2,0,0]=4 1647 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,2,0,0,0,0|2,0,0]=4 1648 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,2,0,0,0,0|1,0,0]=3 1649 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [0,2,0,0,0,0|2,0,0]=4 1650 B10R0.98 CC(O)CCNC(F)C(=O)N 2230a_200000755665_100009813875 [0,2,0,0,0,0|2,0,0]=4 1651 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,2,0,0,0,0|1,0,0]=3 1652 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [0,2,0,0,0,0|2,0,0]=4 1653 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [0,2,0,0,0,0|2,0,0]=4 1654 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,2,0,0,0,0|1,0,1]=4 1655 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,2,0,0,0,0|2,0,0]=4 1656 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,2,0,0,0,0|2,0,0]=4 1657 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,2,0,0,0,0|2,0,0]=4 1658 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,2,0,0,0,0|2,0,0]=4 1659 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100009813875_100012276601 [0,2,0,0,0,0|2,0,0]=4 1660 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100012276601_100009813875 [0,2,0,0,0,0|2,0,0]=4 1661 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100012276601_100020610796 [0,2,0,0,0,0|1,0,1]=4 1662 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100020610796_100012276601 [0,2,0,0,0,0|1,0,1]=4 1663 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,2,0,0,0,0|1,0,0]=3 1664 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,2,0,0,0,0|1,0,0]=3 1665 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,2,0,0,0,0|1,0,0]=3 1666 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,2,0,0,0,0|1,0,0]=3 1667 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,2,0,0,0,0|1,0,0]=3 1668 B10R0.98 NC(=O)[C@@H](N)COCC(F)F 34a_100000729942_100011934356 [0,2,0,0,0,0|2,0,0]=4 1669 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,2,0,0,0,0|2,0,0]=4 1670 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|2,0,0]=4 1671 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|2,0,0]=4 1672 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,1,0]=4 1673 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,0]=3 1674 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|2,0,0]=4 1675 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,1,0]=4 1676 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,0]=3 1677 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|2,0,0]=4 1678 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|2,0,0]=4 1679 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|2,0,0]=4 1680 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|2,0,0]=4 1681 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,0,0]=3 1682 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|2,0,0]=4 1683 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|2,0,0]=4 1684 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|2,0,0]=4 1685 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|1,0,0]=3 1686 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|2,0,0]=4 1687 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|2,0,0]=4 1688 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|2,0,0]=4 1689 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|2,0,0]=4 1690 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,0,0,1,0,0|2,0,0]=4 1691 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [1,0,0,1,0,0|2,0,0]=4 1692 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,0,0,1,0,0|2,0,0]=4 1693 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [1,0,0,1,0,0|2,0,0]=4 1694 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [1,0,0,1,0,0|2,0,0]=4 1695 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [1,0,0,1,0,0|2,0,0]=4 1696 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [1,0,0,1,0,0|2,0,0]=4 1697 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [1,0,0,1,0,0|2,0,0]=4 1698 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,0,0,1,0,1|2,0,0]=4 1699 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,0,0,1,0,1|2,0,0]=4 1700 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,1,0,1|2,0,0]=4 1701 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,1,0,1|2,0,0]=4 1702 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,1,0,1|2,0,0]=4 1703 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,1,0,1|2,0,0]=4 1704 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,1,0,1|2,0,0]=4 1705 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,1,0,1|2,0,0]=4 1706 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,1,0,1|2,0,0]=4 1707 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,0,0,1,0,1|2,0,0]=4 1708 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,0,0,1,0,1|2,0,0]=4 1709 B10R1.168 CC(=O)NC1CC(C1)CO 240690a_100000095622_100015343762 [0,0,0,1,0,1|2,0,0]=4 1710 B10R1.168 CC(=O)NC1CC(C1)CO 527a_100000095622_100103153847 [0,0,0,1,0,1|2,0,0]=4 1711 B10R1.268 CN(CC(=O)O)CC1CO1 269956a_100000746989_102125554688 [0,0,0,1,0,1|2,0,0]=4 1712 B10R1.268 CN(CC(=O)O)C[C@@H]1CO1 269956a_100000746989_100000745022 [0,0,0,1,0,1|2,0,0]=4 1713 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,1,0,1,0,0|2,0,0]=4 1714 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,1,0,1,0,0|2,0,0]=4 1715 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,1,0,1,0,0|2,0,0]=4 1716 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,1,0,0|2,0,0]=4 1717 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,1,0,0|2,0,0]=4 1718 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|2,0,0]=4 1719 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|2,0,0]=4 1720 B10R1.205 CC(=O)C(C)OCC1CO1 34a_100000212229_102125554688 [0,1,0,1,0,0|2,0,0]=4 1721 B10R1.205 CC(=O)C(C)SCC1CO1 62a_100009814033_102125554688 [0,1,0,1,0,0|2,0,0]=4 1722 B10R1.205 CC(=O)C(C)SCC1CO1 62a_102125554688_100009814033 [0,1,0,1,0,0|2,0,0]=4 1723 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100000745022_100009814033 [0,1,0,1,0,0|2,0,0]=4 1724 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100009814033_100000745022 [0,1,0,1,0,0|2,0,0]=4 1725 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,1,0,1,0,0|2,0,0]=4 1726 B10R1.205 CC(OC[C@@H]1CO1)C(=O)N 34a_100000757423_100000702099 [0,1,0,1,0,0|2,0,0]=4 1727 B10R1.205 CC(SCC1CO1)C(=O)N 62a_100000702099_102125554688 [0,1,0,1,0,0|2,0,0]=4 1728 B10R1.205 CC(SCC1CO1)C(=O)N 62a_102125554688_100000702099 [0,1,0,1,0,0|2,0,0]=4 1729 B10R1.205 CC(SC[C@@H]1CO1)C(=O)N 62a_100000702099_100000745022 [0,1,0,1,0,0|2,0,0]=4 1730 B10R1.205 CC(SC[C@@H]1CO1)C(=O)N 62a_100000745022_100000702099 [0,1,0,1,0,0|2,0,0]=4 1731 B10R1.205 C[C@@H](NCC1CO1)C(=O)N 2230a_100000119354_100011216344 [0,1,0,1,0,0|2,0,0]=4 1732 B10R1.205 C[C@@H](NCC1CO1)C(=O)N 34a_100000119354_102125554688 [0,1,0,1,0,0|2,0,0]=4 1733 B10R1.205 C[C@@H](OCC1CO1)C(=O)N 34a_100000731257_102125554688 [0,1,0,1,0,0|2,0,0]=4 1734 B10R1.205 C[C@@H](OCC1CO1)C(=O)N 7a_100000731257_102125554688 [0,1,0,1,0,0|2,0,0]=4 1735 B10R1.205 C[C@@H](OC[C@@H]1CO1)C(=O)N 7a_100000731257_100000745022 [0,1,0,1,0,0|2,0,0]=4 1736 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,1,0,1,0,0|2,0,0]=4 1737 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,1,0,1,0,0|1,0,0]=3 1738 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,1,0,1,0,0|1,1,0]=4 1739 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,1,0,1,0,0|1,0,0]=3 1740 B10R1.205 C[C@H](OCC1CO1)C(=O)[O-] 7a_217856618621_102125554688 [0,1,0,1,0,0|1,0,1]=4 1741 B10R1.205 C[C@H](OC[C@@H]1CO1)C(=O)[O-] 7a_217856618621_100000745022 [0,1,0,1,0,0|1,0,1]=4 1742 B10R1.205 NC(=O)C(F)OC[C@@H]1CO1 34a_100000757423_100009813875 [0,1,0,1,0,0|2,0,0]=4 1743 B10R1.205 NC(=O)C(F)SCC1CO1 62a_100009813875_102125554688 [0,1,0,1,0,0|2,0,0]=4 1744 B10R1.205 NC(=O)C(F)SCC1CO1 62a_102125554688_100009813875 [0,1,0,1,0,0|2,0,0]=4 1745 B10R1.205 NC(=O)C(F)SC[C@@H]1CO1 62a_100000745022_100009813875 [0,1,0,1,0,0|2,0,0]=4 1746 B10R1.205 NC(=O)C(F)SC[C@@H]1CO1 62a_100009813875_100000745022 [0,1,0,1,0,0|2,0,0]=4 1747 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,1,0,1,0,0|2,0,0]=4 1748 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,1,0,1,0,0|2,0,0]=4 1749 B10R1.205 O=C([O-])C(F)OC[C@@H]1CO1 34a_100000757423_100020610796 [0,1,0,1,0,0|1,0,1]=4 1750 B10R1.205 O=C([O-])C(F)SCC1CO1 62a_100020610796_102125554688 [0,1,0,1,0,0|1,0,1]=4 1751 B10R1.205 O=C([O-])C(F)SCC1CO1 62a_102125554688_100020610796 [0,1,0,1,0,0|1,0,1]=4 1752 B10R1.205 O=C([O-])C(F)SC[C@@H]1CO1 62a_100000745022_100020610796 [0,1,0,1,0,0|1,0,1]=4 1753 B10R1.205 O=C([O-])C(F)SC[C@@H]1CO1 62a_100020610796_100000745022 [0,1,0,1,0,0|1,0,1]=4 1754 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|2,0,0]=4 1755 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 1756 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 1757 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|2,0,0]=4 1758 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 1759 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 1760 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,1,0,0|2,0,0]=4 1761 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,1,0,0|2,0,0]=4 1762 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|2,0,0]=4 1763 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|2,0,0]=4 1764 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,1,0,0|2,0,0]=4 1765 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,1,0,0|2,0,0]=4 1766 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,1,0,0|2,0,0]=4 1767 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,1,0,0|2,0,0]=4 1768 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,1,0,0|2,0,0]=4 1769 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|2,0,0]=4 1770 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|2,0,0]=4 1771 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|1,0,0]=3 1772 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,1,0,0|2,0,0]=4 1773 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|2,0,0]=4 1774 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|2,0,0]=4 1775 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|2,0,0]=4 1776 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|2,0,0]=4 1777 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|2,0,0]=4 1778 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|2,0,0]=4 1779 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|2,0,0]=4 1780 B10R1.29 O=C1NOC[C@H]1NCCO 2230a_100000765999_100000211926 [0,1,0,1,0,0|2,0,0]=4 1781 B10R1.29 O=C1NOC[C@H]1NCCO 34a_100000765999_100000211926 [0,1,0,1,0,0|2,0,0]=4 1782 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,1,0,1,0,0|2,0,0]=4 1783 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,1,0,1,0,0|2,0,0]=4 1784 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,1,0,1,0,0|2,0,0]=4 1785 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 1786 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [0,1,0,1,0,0|2,0,0]=4 1787 B10R1.169 CCC(=O)C1CC(C1)CO 1458a_206645079618_100000210202 [0,1,0,1,0,0|2,0,0]=4 1788 B10R1.169 CNC(=O)C1CC(C1)CO 1626a_100102657272_206645079618 [0,1,0,1,0,0|2,0,0]=4 1789 B10R1.169 O=C(CF)C1CC(C1)CO 1458a_206645079618_100015361967 [0,1,0,1,0,0|2,0,0]=4 1790 B10R1.169 O=C(CO)N1CC(C1)CO 240690a_100016987283_100000210174 [0,1,0,1,0,0|2,0,0]=4 1791 B10R1.169 O=C(CO)N1CC(C1)CO 527a_100016987283_100000210174 [0,1,0,1,0,0|2,0,0]=4 1792 B10R1.411 CC1(CCCO1)C(=O)CF 1458a_100000684770_100015361967 [0,1,0,1,0,0|2,0,0]=4 1793 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,1,0,1,0,0|2,0,0]=4 1794 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [0,1,0,1,0,0|2,0,0]=4 1795 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 1796 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 1797 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 1798 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|2,0,0]=4 1799 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|2,0,0]=4 1800 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [0,1,0,1,0,0|1,0,0]=3 1801 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [0,1,0,1,0,0|1,0,0]=3 1802 B10R1.437 O=C(O)C1(CC1)NCCO 269956a_100000746478_100000211926 [0,1,0,1,0,0|2,0,0]=4 1803 B10R1.477 CNC1(CCCC1)C(=O)N 2230a_100000755618_200000210301 [0,1,0,1,0,0|2,0,0]=4 1804 B10R1.477 CNC1(CCCC1)C(=O)N 34a_100000755618_200000210301 [0,1,0,1,0,0|2,0,0]=4 1805 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,1,0,1,0,0|1,0,0]=3 1806 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 2230a_100000755618_200025704644 [0,1,0,1,0,0|2,0,0]=4 1807 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 34a_100000755618_200025704644 [0,1,0,1,0,0|2,0,0]=4 1808 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,1,0,1,0,0|1,0,0]=3 1809 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|2,0,0]=4 1810 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,1,0,0|1,0,1]=4 1811 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|2,0,0]=4 1812 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,1,0,0|1,0,1]=4 1813 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|2,0,0]=4 1814 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,1,0,1,0,0|2,0,0]=4 1815 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,1,0,0|2,0,0]=4 1816 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,1,0,0|2,0,0]=4 1817 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,1,0,1,0,0|2,0,0]=4 1818 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,1,0,1,0,0|2,0,0]=4 1819 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,1,0,1,0,0|2,0,0]=4 1820 B10R1.93 NC(=O)C1CN(C1)CCO 34a_100025753142_100000211926 [0,1,0,1,0,0|2,0,0]=4 1821 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,1,0,1,0,0|2,0,0]=4 1822 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,0,0,0,0,2|2,0,0]=4 1823 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,0,0,0,0,2|2,0,0]=4 1824 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,0,0,0,0,2|2,0,0]=4