0 B8R0.8 C#CCNC(C)C(=O)N 34a_100000212058_100000702099 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.8 C#CCN[C@H](C)C(=O)N 2230a_100000119354_100000038162 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 C#CCN[C@H](C)C(=O)N 34a_100000119354_100000184674 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.8 C#CCOC(C)C(=O)N 34a_100000210247_100000702099 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.8 C#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000038162 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.8 C#CCO[C@H](C)C(=O)N 34a_100000731257_100000184674 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.8 C#CCO[C@H](C)C(=O)N 7a_100000731257_100000038162 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.8 C#CCSC(C)C(=O)N 62a_100000038162_100000702099 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [0,0,0,0,0,0|1,0,3]=4 27 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,0,0,0,0,0|3,0,0]=3 41 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,0,0,0,0,0|3,0,0]=3 47 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,0,0,0,0,0|3,0,0]=3 54 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,0,0,0,0,0|3,0,0]=3 55 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,0,0,0,0,0|2,0,0]=2 56 B8R0.8 CC(COCF)[N+](=O)[O-] 34a_100000039676_100015361967 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.8 CC(COCF)[N+](=O)[O-] 7a_100000039676_100015361967 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,0,0,0,0,0|3,0,0]=3 59 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,0,0,0,0,0|3,0,0]=3 60 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.8 CC(SCC#N)C(=O)N 62a_100000702099_100011215382 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.8 CC(SCC#N)C(=O)N 62a_100011215382_100000702099 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,0,0,0,0,0|3,0,0]=3 68 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,0,0,0,0,0|3,0,0]=3 69 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,0,0,0,0,0|3,0,0]=3 70 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,0,0,0,0|1,0,2]=3 72 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,0,0,0,0|1,0,2]=3 73 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,0,0,0,0,0|1,0,3]=4 74 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,0,0,0,0,0|2,0,2]=4 76 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,0,0,0,0|1,0,0]=1 77 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,0,0,0,0|1,0,0]=1 78 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,0,0,0,0|1,0,0]=1 79 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,0,0,0,0,0|3,0,0]=3 80 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,0,0,0,0,0|3,0,0]=3 82 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,0,0,0,0|2,0,0]=2 83 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,0,0,0,0|2,0,0]=2 85 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,0,0,0,0|2,0,0]=2 86 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,0,0,0,0|2,0,0]=2 87 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,0,0,0,0|2,0,0]=2 88 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,0,0,0,0|1,0,0]=1 100 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,0,0,0,0|2,0,0]=2 101 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,0,0,0,0|2,0,0]=2 102 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,0,0,0,0|2,0,0]=2 103 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,0,0,0,0|2,0,0]=2 104 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,0,0,0,0,0|3,0,1]=4 105 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,0,0,0,0,0|3,0,0]=3 106 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,0,0,0,0,0|2,0,1]=3 107 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,0,0,0,0|1,0,1]=2 108 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,0,0,0,0|2,0,0]=2 109 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,0,0,0,0|2,0,0]=2 110 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,0,0,0,0|2,0,0]=2 111 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,0,0,0,0|2,0,0]=2 112 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,0,0,0,0|2,0,0]=2 113 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,0,0,0,0|2,0,0]=2 114 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,0,0,0,0,0|3,0,0]=3 115 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,0,0,0,0,0|3,0,0]=3 116 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,0,0,0,0,0|2,0,1]=3 117 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,0,0,0,0,0|2,0,1]=3 118 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,0,0,0,0|1,0,0]=1 119 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,0,0,0,0|2,0,0]=2 120 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,0,0,0,0,0|3,0,1]=4 121 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,0,0,0,0|2,0,0]=2 122 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,0,0,0,0|2,0,0]=2 123 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,0,0,0,0,0|2,0,1]=3 124 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,0,0,0,0,0|2,0,1]=3 125 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,0,0,0,0,0|3,0,0]=3 126 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,0,0,0,0,0|3,0,1]=4 127 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [0,0,0,0,0,0|4,0,0]=4 129 B8R0.8 COCCC(C)N(C)C 270004a_100102631434_100000742357 [0,0,0,0,0,0|4,0,0]=4 130 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,0,0,0,0,0|3,0,0]=3 131 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,0,0,0,0,0|3,0,0]=3 132 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,0,0,0,0,0|3,0,0]=3 133 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,0,0,0,0,0|3,0,0]=3 134 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,0,0,0,0,0|2,0,0]=2 135 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,0,0,0,0,0|3,0,0]=3 136 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,0,0,0,0,0|3,0,0]=3 137 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,0,0,0,0,0|3,0,0]=3 138 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,0,0,0,0,0|3,0,0]=3 139 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,0,0,0,0,0|3,0,0]=3 140 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,0,0,0,0,0|4,0,0]=4 141 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,0,0,0,0,0|4,0,0]=4 142 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,0,0,0,0,0|4,0,0]=4 145 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,0,0,0,0,0|3,0,0]=3 146 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,0,0,0,0,0|3,0,0]=3 147 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,0,0,0,0,0|3,0,0]=3 148 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,0,0,0,0,0|3,0,0]=3 149 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,0,0,0,0,0|3,0,0]=3 150 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,0,0,0,0,0|3,0,0]=3 151 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,0,0,0,0,0|2,0,0]=2 152 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,0,0,0,0,0|3,0,0]=3 153 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,0,0,0,0,0|3,0,0]=3 154 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,0,0,0,0,0|3,0,0]=3 155 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,0,0,0,0,0|3,0,0]=3 156 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,0,0,0,0,0|3,0,0]=3 157 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,0,0,0,0,0|3,0,0]=3 158 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,0,0,0,0,0|3,0,0]=3 159 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,0,0,0,0,0|3,0,0]=3 160 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,0,0,0,0,0|4,0,0]=4 161 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,0,0,0,0,0|4,0,0]=4 162 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,0,0,0,0,0|3,0,1]=4 163 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,0,0,0,0,0|3,0,1]=4 164 B8R0.8 C[C@@H](NCC#N)C(=O)N 2230a_100000119354_100011215382 [0,0,0,0,0,0|3,0,1]=4 165 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,0,0,0,0,0|3,0,1]=4 166 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,0,0,0,0,0|3,0,1]=4 167 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,0,0,0,0,0|3,0,0]=3 168 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,0,0,0,0,0|3,0,0]=3 169 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,0,0,0,0,0|3,0,0]=3 170 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,0,0,0,0,0|3,0,0]=3 171 B8R0.8 C[C@@H](OCC#N)C(=O)N 7a_100000731257_100011215382 [0,0,0,0,0,0|3,0,1]=4 172 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,0,0,0,0,0|3,0,1]=4 173 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,0,0,0,0,0|3,0,0]=3 175 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,0,0,0,0,0|3,0,0]=3 176 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,0,0,0,0,0|3,0,0]=3 177 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,0,0,0,0,0|3,0,0]=3 178 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,0,0,0,0,0|2,0,1]=3 179 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,0,0,0,0,0|2,0,1]=3 180 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,0,0,0,0,0|2,0,0]=2 181 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,0,0,0,0|2,0,0]=2 182 B8R0.8 C[C@H](OCC#N)C(=O)[O-] 7a_217856618621_100011215382 [0,0,0,0,0,0|2,0,2]=4 183 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,0,0,0,0,0|2,0,2]=4 184 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,0,0,0,0,0|2,0,1]=3 185 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,0,0,0,0,0|2,0,1]=3 186 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,0,0,0,0,0|4,0,0]=4 187 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,0,0,0,0,0|4,0,0]=4 188 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,0,0,0,0,0|4,0,0]=4 189 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,0,0,0,0,0|4,0,0]=4 190 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,0,0,0,0,0|4,0,0]=4 191 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,0,0,0,0,0|4,0,0]=4 192 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,0,0,0,0,0|4,0,0]=4 193 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,0,0,0,0,0|4,0,0]=4 194 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,0,0,0,0,0|4,0,0]=4 195 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,0,0,0,0,0|4,0,0]=4 196 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,0,0,0,0,0|3,0,1]=4 197 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,0,0,0,0,0|3,0,0]=3 198 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,0,0,0,0,0|3,0,1]=4 199 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,0,0,0,0,0|3,0,1]=4 200 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,0,0,0,0,0|3,0,1]=4 201 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,0,0,0,0,0|3,0,1]=4 202 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,0,0,0,0,0|3,0,1]=4 203 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,0,0,0,0,0|3,0,1]=4 205 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [1,0,0,0,0,0|2,0,1]=4 209 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [1,0,0,0,0,0|2,0,1]=4 211 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|2,0,1]=4 212 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,0,0,0,0|2,0,0]=3 213 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,0,0,0,0|2,0,0]=3 214 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [1,0,0,0,0,0|3,0,0]=4 215 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [1,0,0,0,0,0|3,0,0]=4 216 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,0,0,0,0|2,0,0]=3 217 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [1,0,0,0,0,0|3,0,0]=4 218 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [1,0,0,0,0,0|3,0,0]=4 219 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [1,0,0,0,0,0|3,0,0]=4 220 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,0,0,0,0|2,0,0]=3 221 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [1,0,0,0,0,0|3,0,0]=4 222 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,0,0,0,0,0|3,0,0]=4 223 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [1,0,0,0,0,0|3,0,0]=4 224 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [1,0,0,0,0,0|3,0,0]=4 225 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,0,0,0,0|3,0,0]=4 226 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,0,0,0,0,0|3,0,0]=4 227 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,0,0,0,0,0|3,0,0]=4 228 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,0,0,0,0|3,0,0]=4 230 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,0,0,0,0,0|1,0,1]=3 233 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,0,0,0,0,0|1,0,1]=3 234 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [1,0,0,0,0,0|2,0,1]=4 235 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [1,0,0,0,0,0|2,0,1]=4 236 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,0,0,0,0,0|2,0,1]=4 237 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,0,0,0,0,0|2,0,1]=4 238 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [1,0,0,0,0,0|2,0,1]=4 239 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [1,0,0,0,0,0|2,0,1]=4 240 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,0,0,0,0,0|2,0,1]=4 241 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,0,0,0,0,0|2,0,1]=4 242 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,0,0,0,0,0|2,0,1]=4 243 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,0,0,0,0,0|2,0,1]=4 244 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,0,0,0,0,0|2,0,1]=4 245 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,2]=4 247 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,0]=3 248 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,0]=3 249 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,0]=3 250 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,0]=3 251 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,0]=3 252 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,0]=3 253 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|2,0,0]=3 254 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|2,0,0]=3 255 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|2,0,0]=3 256 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|2,0,0]=3 257 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|2,0,0]=3 258 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|2,0,0]=3 259 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|2,0,0]=3 260 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|2,0,0]=3 261 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|2,0,0]=3 262 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|2,0,1]=4 263 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|2,0,1]=4 264 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|2,0,1]=4 265 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|2,0,1]=4 266 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|2,0,1]=4 267 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|2,0,1]=4 268 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|2,0,1]=4 270 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [1,0,0,0,0,0|2,0,1]=4 272 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,0,0,0,0|2,0,1]=4 273 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,0,0,0,0,0|1,0,1]=3 274 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [1,0,0,0,0,0|2,0,1]=4 275 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,0,0,0,0|2,0,1]=4 276 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,0,0,0,0|2,0,1]=4 277 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,0,0,0,0,0|2,0,1]=4 278 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,0,0,0,0,0|2,0,1]=4 279 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 280 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,0,0,0,0,0|1,0,1]=3 281 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [1,0,0,0,0,0|2,0,1]=4 282 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [1,0,0,0,0,0|2,0,1]=4 283 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,0,0,0,0,0|2,0,1]=4 284 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,0,0,0,0,0|2,0,1]=4 285 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,0,0,0,0,0|1,0,1]=3 286 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,0,0,0,0|3,0,0]=4 287 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,0,0,0,0|3,0,0]=4 288 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,0,0,0,0,0|1,0,1]=3 289 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,0,0,0,0,0|1,0,1]=3 290 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,0,0,0,0,0|2,0,1]=4 291 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,0,0,0,0,0|2,0,1]=4 292 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,0,0,0,0,0|2,0,1]=4 293 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,0,0,0,0,0|1,0,1]=3 294 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,0,0,0,0,0|2,0,1]=4 295 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,0,0,0,0,0|2,0,1]=4 296 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,0,0,0,0,0|1,0,1]=3 297 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,0,0,0,0,0|3,0,0]=4 298 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,0,0,0,0,0|2,0,1]=4 299 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,0,0,0,0,0|2,0,1]=4 301 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,0,0,0,0,0|2,0,1]=4 302 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,0,0,0,0,0|2,0,1]=4 303 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,0,0,0,0,0|3,0,0]=4 304 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,0,0,0,0,0|3,0,0]=4 305 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,0,0,0,0,0|3,0,0]=4 306 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,0,0,0,0,0|3,0,0]=4 307 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,0,0,0,0,0|3,0,0]=4 308 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,0,0,0,0,0|2,0,1]=4 311 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,0,0,0,0,0|1,0,1]=3 312 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,0,0,0,0,0|2,0,1]=4 313 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,0,0,0,0,0|2,0,1]=4 314 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,0,0,0,0,0|2,0,1]=4 315 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,0,0,0,0,0|3,0,0]=4 316 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,0,0,0,0,0|2,0,1]=4 317 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,0,0,0,0,0|2,0,1]=4 318 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,0,0,0,0,0|2,0,1]=4 319 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,0,0,0,0,0|2,0,1]=4 320 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,0,0,0,0,0|1,0,1]=3 321 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,0,0,0,0,0|1,0,1]=3 322 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,0,0,0,0,0|2,0,1]=4 323 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,0,0,0,0,0|2,0,1]=4 324 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,0,0,0,0,0|3,0,0]=4 325 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,0,0,0,0,0|3,0,0]=4 326 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,0,0,0,0,0|1,0,1]=3 327 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,0,0,0,0,0|1,0,1]=3 328 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,0,0,0,0,0|3,0,0]=4 329 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,0,0,0,0,0|3,0,0]=4 330 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,0,0,0,0,0|3,0,0]=4 332 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [1,0,0,0,0,0|2,0,1]=4 333 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,0,0,0,0,0|2,0,1]=4 334 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,0,0,0,0,0|2,0,1]=4 335 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,0,0,0,0,0|2,0,1]=4 336 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [1,0,0,0,0,0|2,0,1]=4 337 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [1,0,0,0,0,0|2,0,1]=4 338 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [1,0,0,0,0,0|2,0,1]=4 339 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [1,0,0,0,0,0|2,0,1]=4 340 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [1,0,0,0,0,0|2,0,1]=4 341 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [1,0,0,0,0,0|2,0,1]=4 342 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [1,0,0,0,0,0|2,0,1]=4 343 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,0,0,0,0,0|2,0,1]=4 344 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,0,0,0,0,0|2,0,1]=4 345 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,0,0,0,0,0|2,0,1]=4 346 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,0,0,0,0,0|2,0,1]=4 347 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,0,0,0,0,0|2,0,1]=4 348 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,2]=4 349 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,2]=4 350 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,2]=4 351 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|1,0,2]=4 352 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|3,0,0]=4 353 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 354 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|3,0,0]=4 355 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|3,0,0]=4 356 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 357 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 358 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 359 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 361 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 362 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|3,0,0]=4 363 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|3,0,0]=4 364 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|3,0,0]=4 365 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|3,0,0]=4 366 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,2]=4 367 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,2]=4 368 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,2]=4 369 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|1,0,2]=4 370 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,1]=4 371 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,1]=4 372 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 373 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,0]=3 374 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,0]=3 375 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 376 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 377 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,0]=3 378 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,0]=3 379 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 380 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 381 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 382 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 383 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 384 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|3,0,0]=4 385 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|3,0,0]=4 386 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 387 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 388 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 389 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 390 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|3,0,0]=4 391 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|3,0,0]=4 392 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|3,0,0]=4 393 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|3,0,0]=4 394 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|3,0,0]=4 395 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|3,0,0]=4 396 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|3,0,0]=4 398 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 401 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 402 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 403 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 404 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 405 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 406 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,2]=4 407 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,2]=4 408 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,0]=2 409 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,0]=2 410 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,0]=2 411 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 412 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|3,0,0]=4 413 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 414 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|3,0,0]=4 415 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 416 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 417 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 418 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 419 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 420 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,0]=3 421 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 422 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,0]=2 423 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 424 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 425 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|3,0,0]=4 426 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 427 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 428 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 429 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 430 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|1,0,1]=3 431 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|2,0,1]=4 432 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|2,0,1]=4 433 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|2,0,1]=4 434 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 436 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 437 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 438 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|1,0,1]=3 439 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|1,0,1]=3 440 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|2,0,1]=4 442 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|2,0,1]=4 445 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 446 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|2,0,1]=4 447 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|2,0,1]=4 448 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|2,0,0]=3 449 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 450 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 452 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 453 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 454 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 455 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 456 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 457 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|3,0,0]=4 459 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 460 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 463 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 464 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 465 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 466 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|2,0,1]=4 467 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|3,0,0]=4 469 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|3,0,0]=4 470 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,0]=3 471 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,0]=3 472 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 473 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 474 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 475 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 476 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|2,0,1]=4 477 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 478 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|3,0,0]=4 479 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|3,0,0]=4 480 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 481 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 482 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 483 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 484 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 485 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|3,0,0]=4 486 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|3,0,0]=4 487 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 488 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 489 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,0]=3 490 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,0]=3 491 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 492 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,0]=3 493 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 494 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 495 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,0]=3 496 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|2,0,1]=4 497 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 499 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 500 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|3,0,0]=4 501 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|3,0,0]=4 502 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 503 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|3,0,0]=4 504 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 505 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 506 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 507 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,0]=3 508 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 509 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 510 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|2,0,1]=4 511 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|2,0,1]=4 512 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|3,0,0]=4 513 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,0]=3 514 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,0]=3 515 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,0]=3 516 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 517 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 518 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,0]=3 519 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|2,0,1]=4 520 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 521 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 522 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 523 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 524 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|3,0,0]=4 525 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|3,0,0]=4 526 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|3,0,0]=4 527 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 528 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 529 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|3,0,0]=4 530 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|3,0,0]=4 531 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 532 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 533 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 534 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,0]=3 535 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|3,0,0]=4 536 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 537 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 538 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 542 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 543 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 544 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 545 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 546 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 547 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 548 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 549 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 550 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 551 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 552 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 553 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 554 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 555 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 556 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,0]=3 558 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,0]=3 559 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,0,0,0,0|3,0,0]=4 560 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 563 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|2,0,1]=4 564 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|2,0,1]=4 565 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 566 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,1]=4 569 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,0]=3 570 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|3,0,0]=4 571 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 572 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 573 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|2,0,1]=4 574 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 575 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 576 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 577 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 578 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 579 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 580 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 581 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 582 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [1,0,0,0,0,0|3,0,0]=4 583 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,0,0,0,0,0|1,0,2]=4 584 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,0,0,0,0,0|1,0,2]=4 585 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [1,0,0,0,0,0|2,0,1]=4 586 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,0,0|2,0,0]=3 587 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,0,0,0,0|2,0,0]=3 588 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,0,0,0,0|2,0,0]=3 589 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [1,0,0,0,0,0|3,0,0]=4 590 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [1,0,0,0,0,0|3,0,0]=4 591 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [1,0,0,0,0,0|3,0,0]=4 592 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,0,0,0,0,0|3,0,0]=4 593 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,0,0,0,0,0|3,0,0]=4 594 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|1,0,0]=2 595 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [1,0,0,0,0,0|2,0,1]=4 596 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [1,0,0,0,0,0|3,0,0]=4 598 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [1,0,0,0,0,0|3,0,0]=4 599 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,0,0,0,0|1,0,2]=4 600 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,0,0,0,0|1,0,2]=4 601 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|1,0,0]=2 602 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|1,0,0]=2 603 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|1,0,0]=2 604 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [1,0,0,0,0,0|3,0,0]=4 605 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [1,0,0,0,0,0|3,0,0]=4 606 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [1,0,0,0,0,0|3,0,0]=4 607 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|2,0,0]=3 608 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|2,0,0]=3 609 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|2,0,0]=3 610 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|2,0,0]=3 611 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|2,0,0]=3 612 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|2,0,0]=3 613 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,0,0,0,0|2,0,0]=3 614 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,0,0,0,0|2,0,0]=3 615 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,0,0,0,0,0|3,0,0]=4 616 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|1,0,0]=2 617 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,0,0,0,0|2,0,0]=3 618 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,0,0,0,0|2,0,0]=3 619 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,0,0,0,0|2,0,0]=3 620 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,0,0,0,0|2,0,0]=3 621 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,0,0,0,0|2,0,0]=3 622 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,0,0,0,0|2,0,0]=3 623 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,0,0,0,0,0|3,0,0]=4 624 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,0,0,0,0,0|2,0,1]=4 625 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,0,0,0,0|1,0,1]=3 626 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,0,0,0,0|2,0,0]=3 627 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,0,0,0,0|2,0,0]=3 628 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,0,0,0,0|2,0,0]=3 629 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,0,0,0,0|2,0,0]=3 630 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,0,0,0,0|2,0,0]=3 631 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,0,0,0,0|2,0,0]=3 632 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,0,0,0,0|2,0,0]=3 633 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,0,0,0,0|2,0,0]=3 634 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,0,0,0,0,0|3,0,0]=4 635 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,0,0,0,0,0|3,0,0]=4 636 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,0,0,0,0,0|2,0,1]=4 637 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,0,0,0,0,0|2,0,1]=4 638 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|1,0,0]=2 639 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,0]=3 640 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,0,0,0,0|2,0,0]=3 641 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,0,0,0,0|2,0,0]=3 642 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,0,0,0,0|2,0,0]=3 643 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,0,0,0,0|2,0,0]=3 644 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,0,0,0,0|2,0,0]=3 645 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [1,0,0,0,0,0|2,0,1]=4 646 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [1,0,0,0,0,0|2,0,1]=4 647 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,0,0,0,0,0|3,0,0]=4 648 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,0,0,0,0|2,0,0]=3 649 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,0,0,0,0|2,0,0]=3 650 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [1,0,0,0,0,0|3,0,0]=4 651 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [1,0,0,0,0,0|3,0,0]=4 652 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [1,0,0,0,0,0|3,0,0]=4 653 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,0,0,0,0|2,0,0]=3 654 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [1,0,0,0,0,0|2,0,1]=4 655 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,0]=3 656 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,0,0,0,0,0|3,0,0]=4 657 B9R0.3 CCCCN(C)S(=O)(=O)C 40a_100000207549_100000738038 [0,1,0,0,0,0|2,0,1]=4 658 B9R0.3 CCCNC(C)C(C)(C)O 269862a_100020643023_100000747739 [0,1,0,0,0,0|2,0,1]=4 659 B9R0.3 CCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210303 [0,1,0,0,0,0|2,0,1]=4 660 B9R0.6 C#CCN(C)C(C)C(=O)O 269956a_100000749554_100000184674 [0,1,0,0,0,0|1,0,2]=4 661 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [0,1,0,0,0,0|1,0,2]=4 662 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,1,0,0,0,0|2,0,1]=4 663 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,1,0,0,0,0|3,0,0]=4 664 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,1,0,0,0,0|3,0,0]=4 665 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,1,0,0,0,0|3,0,0]=4 666 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,1,0,0,0,0|3,0,0]=4 667 B9R0.6 CC(C(=O)N)C(=O)CCO 1458a_100011216618_100000702099 [0,1,0,0,0,0|2,0,1]=4 668 B9R0.6 CC(C(=O)N)N(C)CCO 2230a_100000210263_100000702099 [0,1,0,0,0,0|3,0,0]=4 669 B9R0.6 CC(C(=O)N)N(C)CCO 269982a_100000210263_100000184083 [0,1,0,0,0,0|3,0,0]=4 670 B9R0.6 CC(C(=O)O)N(C)CC#N 269956a_100000749554_100011215382 [0,1,0,0,0,0|2,0,1]=4 671 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [0,1,0,0,0,0|2,0,1]=4 672 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,1,0,0,0,0|2,0,0]=3 673 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,0,0,0,0|2,0,0]=3 674 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,0,0,0,0|2,0,0]=3 675 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,0,0,0,0|2,0,0]=3 676 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,0|1,0,1]=3 677 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,0,0,0,0|1,0,1]=3 678 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,1,0,0,0,0|2,0,1]=4 679 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,1,0,0,0,0|1,0,2]=4 680 B9R0.6 CCCC(C)C(C)N(C)C 270004a_100102631434_100011216282 [0,1,0,0,0,0|3,0,0]=4 681 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,0,0,0,0|2,0,0]=3 682 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,0,0,0,0|2,0,0]=3 683 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [0,1,0,0,0,0|2,0,0]=3 684 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [0,1,0,0,0,0|2,0,0]=3 685 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,0,0,0,0|1,0,0]=2 686 B9R0.6 CCCN(C)C(F)C(=O)N 2230a_100000747261_100009813875 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.6 CCCN(C)C(F)C(=O)N 269982a_100000747261_100009813875 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,0,0,0,0|2,0,1]=4 689 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,0,0|2,0,1]=4 690 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,0,0|2,0,1]=4 691 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,0,0|2,0,1]=4 692 B9R0.6 CCOC(C)C(C)[N+](=O)[O-] 34a_200000034949_100000210202 [0,1,0,0,0,0|2,0,1]=4 693 B9R0.6 CCOC(C)C(C)[N+](=O)[O-] 7a_200000034949_100000210202 [0,1,0,0,0,0|2,0,1]=4 694 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,1,0,0,0,0|3,0,0]=4 695 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,1,0,0,0,0|2,0,1]=4 696 B9R0.6 COCC(=O)C(C)C(=O)N 1458a_100000210968_100000702099 [0,1,0,0,0,0|2,0,1]=4 697 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,1,0,0,0,0|2,0,0]=3 698 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,1,0,0,0,0|2,0,1]=4 699 B9R0.6 CSCC(=O)C(C)C(=O)N 1458a_100000184570_100000702099 [0,1,0,0,0,0|2,0,1]=4 700 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,1,0,0,0,0|2,0,0]=3 701 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,1,0,0,0,0|3,0,0]=4 702 B9R0.7 C=C(C)C(C)NCC(C)O 269862a_100000210904_100011216138 [0,1,0,0,0,0|3,0,0]=4 703 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,1,0,0,0,0|1,0,1]=3 704 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748629 [0,1,0,0,0,0|2,0,1]=4 705 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748629 [0,1,0,0,0,0|2,0,1]=4 706 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,1,0,0,0,0|2,0,1]=4 707 B9R0.7 C=C(C)COC(C)C(=O)N 34a_100000210245_100000702099 [0,1,0,0,0,0|2,0,1]=4 708 B9R0.7 C=C(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748629 [0,1,0,0,0,0|1,0,2]=4 709 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748629 [0,1,0,0,0,0|2,0,1]=4 710 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748629 [0,1,0,0,0,0|2,0,1]=4 711 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,1,0,0,0,0|2,0,1]=4 712 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,1,0,0,0,0|2,0,1]=4 713 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000702099_100000211660 [0,1,0,0,0,0|2,0,1]=4 714 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000748629_100000702099 [0,1,0,0,0,0|2,0,1]=4 715 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,1,0,0,0,0|1,0,2]=4 716 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,0|1,0,0]=2 717 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,0,0,0,0|2,0,0]=3 718 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,0,0,0,0|2,0,0]=3 719 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,1,0,0,0,0|2,0,0]=3 720 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,0|2,0,0]=3 721 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,1,0,0,0,0|2,0,0]=3 722 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,0|2,0,0]=3 723 B9R0.7 CC(=O)C(C)OCC(F)F 34a_100000212229_100011934356 [0,1,0,0,0,0|3,0,0]=4 724 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,0|2,0,0]=3 725 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,1,0,0,0,0|2,0,0]=3 726 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,1,0,0,0,0|2,0,0]=3 727 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,0|2,0,0]=3 728 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,0|2,0,0]=3 729 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100009814033_100011934356 [0,1,0,0,0,0|3,0,0]=4 730 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100011934356_100009814033 [0,1,0,0,0,0|3,0,0]=4 731 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,0|2,0,0]=3 732 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,0|2,0,0]=3 733 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,1,0,0,0,0|2,0,1]=4 734 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,1,0,0,0,0|2,0,1]=4 735 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,1,0,0,0,0|2,0,1]=4 736 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,0,0,0,0|2,0,0]=3 737 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,0,0,0,0|2,0,0]=3 738 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,0,0,0,0|2,0,0]=3 739 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,0,0,0,0|2,0,0]=3 740 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,1,0,0,0,0|3,0,0]=4 741 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,1,0,0,0,0|3,0,0]=4 742 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,1,0,0,0,0|2,0,1]=4 743 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,1,0,0,0,0|2,0,1]=4 744 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,1,0,0,0,0|2,0,0]=3 745 B9R0.7 CC(Br)COC(F)C(=O)N 34a_100012180447_100009813875 [0,1,0,0,0,0|3,0,0]=4 746 B9R0.7 CC(Br)COC(F)C(=O)[O-] 34a_100012180447_100020610796 [0,1,0,0,0,0|2,0,1]=4 747 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [0,1,0,0,0,0|3,0,0]=4 748 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [0,1,0,0,0,0|3,0,0]=4 749 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [0,1,0,0,0,0|3,0,0]=4 750 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,1,0,0,0,0|2,0,0]=3 751 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,1,0,0,0,0|2,0,0]=3 752 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,1,0,0,0,0|3,0,0]=4 753 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,1,0,0,0,0|3,0,0]=4 754 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,1,0,0,0,0|2,0,1]=4 755 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,0|1,0,0]=2 756 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,1,0,0,0,0|2,0,0]=3 757 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,1,0,0,0,0|2,0,0]=3 758 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,1,0,0,0,0|2,0,0]=3 759 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,1,0,0,0,0|2,0,0]=3 760 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,1,0,0,0,0|3,0,0]=4 761 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,1,0,0,0,0|2,0,1]=4 762 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,1,0,0,0,0|1,0,1]=3 763 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,1,0,0,0,0|2,0,0]=3 764 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,1,0,0,0,0|2,0,0]=3 765 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,1,0,0,0,0|2,0,0]=3 766 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,1,0,0,0,0|2,0,0]=3 767 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,1,0,0,0,0|3,0,0]=4 768 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,1,0,0,0,0|3,0,0]=4 769 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,0|1,0,0]=2 772 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,0|2,0,0]=3 773 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 34a_100000039676_100000210206 [0,1,0,0,0,0|2,0,1]=4 774 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 7a_100000039676_100000210206 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,0|3,0,0]=4 776 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,1,0,0,0,0|2,0,0]=3 777 B9R0.7 CC(F)COC(F)C(=O)N 34a_100015925927_100009813875 [0,1,0,0,0,0|3,0,0]=4 778 B9R0.7 CC(F)COC(F)C(=O)[O-] 34a_100015925927_100020610796 [0,1,0,0,0,0|2,0,1]=4 779 B9R0.7 CC(NCC(F)F)C(=O)N 34a_100000765723_100000702099 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,1,0,0,0,0|2,0,0]=3 781 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,0|2,0,0]=3 782 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,1,0,0,0,0|3,0,0]=4 783 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,0|3,0,0]=4 784 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,0|2,0,1]=4 785 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,0,0,0,0|1,0,0]=2 786 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,1,0,0,0,0|2,0,0]=3 787 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,1,0,0,0,0|2,0,0]=3 788 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,1,0,0,0,0|1,0,1]=3 789 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,1,0,0,0,0|2,0,0]=3 790 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,1,0,0,0,0|2,0,0]=3 791 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,1,0,0,0,0|2,0,0]=3 792 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,1,0,0,0,0|2,0,0]=3 793 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,1,0,0,0,0|3,0,0]=4 794 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,1,0,0,0,0|3,0,0]=4 795 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,1,0,0,0,0|2,0,1]=4 796 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,1,0,0,0,0|2,0,1]=4 797 B9R0.7 CC(OCC(F)F)C(=O)N 34a_100000743014_100000702099 [0,1,0,0,0,0|3,0,0]=4 798 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,1,0,0,0,0|2,0,0]=3 799 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,1,0,0,0,0|2,0,0]=3 800 B9R0.7 CC(SCC(F)F)C(=O)N 62a_100000702099_100011934356 [0,1,0,0,0,0|3,0,0]=4 801 B9R0.7 CC(SCC(F)F)C(=O)N 62a_100011934356_100000702099 [0,1,0,0,0,0|3,0,0]=4 802 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,1,0,0,0,0|2,0,0]=3 803 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,1,0,0,0,0|2,0,0]=3 804 B9R0.7 C[C@@H](Cl)COC(F)C(=O)N 34a_100016084084_100009813875 [0,1,0,0,0,0|3,0,0]=4 805 B9R0.7 C[C@@H](Cl)COC(F)C(=O)[O-] 34a_100016084084_100020610796 [0,1,0,0,0,0|2,0,1]=4 806 B9R0.7 C[C@@H](N)COC(F)C(=O)N 34a_100000737577_100009813875 [0,1,0,0,0,0|3,0,0]=4 807 B9R0.7 C[C@@H](N)COC(F)C(=O)[O-] 34a_100000737577_100020610796 [0,1,0,0,0,0|2,0,1]=4 808 B9R0.7 C[C@@H](NCC(F)F)C(=O)N 2230a_100000119354_100011934356 [0,1,0,0,0,0|3,0,0]=4 809 B9R0.7 C[C@@H](NCC(F)F)C(=O)N 34a_100000119354_100011934356 [0,1,0,0,0,0|3,0,0]=4 810 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,1,0,0,0,0|2,0,0]=3 811 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,1,0,0,0,0|2,0,0]=3 812 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,1,0,0,0,0|2,0,0]=3 813 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,1,0,0,0,0|2,0,0]=3 814 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,1,0,0,0,0|3,0,0]=4 815 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,1,0,0,0,0|3,0,0]=4 816 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,1,0,0,0,0|2,0,1]=4 817 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,1,0,0,0,0|2,0,1]=4 818 B9R0.7 C[C@@H](OCC(F)F)C(=O)N 34a_100000731257_100011934356 [0,1,0,0,0,0|3,0,0]=4 819 B9R0.7 C[C@@H](OCC(F)F)C(=O)N 7a_100000731257_100011934356 [0,1,0,0,0,0|3,0,0]=4 820 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,1,0,0,0,0|2,0,1]=4 821 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,1,0,0,0,0|2,0,1]=4 822 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,1,0,0,0,0|2,0,0]=3 823 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,0,0,0,0|1,0,0]=2 824 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,1,0,0,0,0|3,0,0]=4 825 B9R0.7 C[C@H](OCC(F)F)C(=O)[O-] 7a_217856618621_100011934356 [0,1,0,0,0,0|2,0,1]=4 826 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,1,0,0,0,0|1,0,1]=3 827 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,0,0,0,0|1,0,0]=2 828 B9R0.8 C#CCNC(C)C(=O)OC 34a_100000212058_100000211248 [0,1,0,0,0,0|1,0,2]=4 829 B9R0.8 C#CCOC(C)C(=O)OC 34a_100000210247_100000211248 [0,1,0,0,0,0|1,0,2]=4 830 B9R0.8 C#CCOC(C)C(=O)OC 34a_100011215400_100000184674 [0,1,0,0,0,0|1,0,2]=4 831 B9R0.8 C#CCSC(C)C(=O)OC 62a_100000038162_100000211248 [0,1,0,0,0,0|1,0,2]=4 832 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,1,0,0,0,0|3,0,0]=4 833 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|1,0,2]=4 834 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|1,0,2]=4 835 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|1,0,2]=4 836 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|1,0,0]=2 837 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,0,0,0,0|2,0,0]=3 838 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,0,0,0,0|2,0,0]=3 839 B9R0.8 C=CC(=O)N(C)CCCO 240690a_100000213112_200121576911 [0,1,0,0,0,0|3,0,0]=4 840 B9R0.8 C=CC(=O)N(C)CCOC 1626a_100000743101_100000185746 [0,1,0,0,0,0|3,0,0]=4 841 B9R0.8 C=CC(=O)N(C)CCOC 240690a_100000743101_200121576911 [0,1,0,0,0,0|3,0,0]=4 842 B9R0.8 C=CC(=O)N(C)CCSC 1626a_100000686725_100000185746 [0,1,0,0,0,0|3,0,0]=4 843 B9R0.8 C=CC(=O)N(C)CCSC 240690a_100000686725_200121576911 [0,1,0,0,0,0|3,0,0]=4 844 B9R0.8 C=CCCN(C)C(=O)CO 240690a_100020639649_100000210174 [0,1,0,0,0,0|1,0,2]=4 845 B9R0.8 C=CCCN(C)C(=O)CO 527a_100020639649_100000210174 [0,1,0,0,0,0|1,0,2]=4 846 B9R0.8 C=CCNC(C)C(=O)OC 2230a_100020586998_100000211248 [0,1,0,0,0,0|1,0,2]=4 847 B9R0.8 C=CCOC(C)C(=O)OC 34a_100011215400_100015514636 [0,1,0,0,0,0|1,0,2]=4 848 B9R0.8 C=CCOC(C)C(=O)OC 34a_200000210373_100000211248 [0,1,0,0,0,0|1,0,2]=4 849 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000210623_100000211248 [0,1,0,0,0,0|1,0,2]=4 850 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000211248_100000210623 [0,1,0,0,0,0|1,0,2]=4 851 B9R0.8 CC(OCCF)C(=O)NN 34a_100000725659_100011217306 [0,1,0,0,0,0|3,0,0]=4 852 B9R0.8 CC(OCCO)C(=O)NN 34a_100000725659_100000211926 [0,1,0,0,0,0|3,0,0]=4 853 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,1,0,0,0,0|3,0,0]=4 854 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,1,0,0,0,0|3,0,0]=4 855 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,1,0,0,0,0|3,0,0]=4 856 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,1,0,0,0,0|3,0,0]=4 857 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,1,0,0,0,0|3,0,0]=4 858 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,1,0,0,0,0|3,0,0]=4 859 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,1,0,0,0,0|3,0,0]=4 860 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,1,0,0,0,0|3,0,0]=4 861 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,1,0,0,0,0|3,0,0]=4 862 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|3,0,0]=4 863 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,1,0,0,0,0|3,0,0]=4 864 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,1,0,0,0,0|3,0,0]=4 865 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 866 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 867 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 868 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 869 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 870 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 871 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 872 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 873 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,0,0,0,0|1,0,2]=4 874 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,1,0,0,0,0|1,0,2]=4 875 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,0,0,0,0|1,0,2]=4 876 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,0,0,0,0|1,0,2]=4 877 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,0,0,0,0|1,0,2]=4 878 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|2,0,1]=4 879 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|1,0,0]=2 880 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|1,0,0]=2 881 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,0,0,0,0|1,0,0]=2 882 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|0,0,0]=1 883 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|1,0,0]=2 884 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|1,0,0]=2 885 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|1,0,0]=2 886 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|1,0,0]=2 887 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,1,0,0,0,0|3,0,0]=4 888 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,1,0,0,0,0|3,0,0]=4 889 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|2,0,0]=3 890 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,0,0,0,0|2,0,0]=3 891 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|2,0,0]=3 892 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|2,0,0]=3 893 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 894 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 895 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 896 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 897 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,0,0,0,0|1,0,0]=2 898 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,0,0,0,0|1,0,0]=2 899 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,0,0,0,0|2,0,0]=3 900 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,0,0,0,0|2,0,0]=3 901 B9R0.8 CCCCN(C)C(C)CO 2230a_100000207549_100012180447 [0,1,0,0,0,0|2,0,1]=4 902 B9R0.8 CCCCN(C)C(C)CO 2230a_100000693034_100000210211 [0,1,0,0,0,0|2,0,1]=4 903 B9R0.8 CCCCN(C)C(C)CO 269982a_100000693034_100000210211 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.8 CCCCN(C)C(C)OC 269982a_100000207549_100009879195 [0,1,0,0,0,0|2,0,1]=4 905 B9R0.8 CCCCN(C)[C@H](C)CO 269982a_100000207549_100016084084 [0,1,0,0,0,0|2,0,1]=4 906 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 907 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 908 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 909 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 910 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,0,0,0,0|2,0,0]=3 911 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,0,0,0,0|2,0,0]=3 912 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,0,0,0,0|2,0,0]=3 913 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,1,0,0,0,0|2,0,0]=3 914 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,0,0,0,0|1,0,0]=2 915 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,0,0,0,0|1,0,0]=2 916 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,1,0,0,0,0|3,0,0]=4 917 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,0,0,0,0|2,0,0]=3 918 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,0,0,0,0|2,0,0]=3 919 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,0,0,0,0|2,0,0]=3 920 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,0,0,0,0|2,0,0]=3 921 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,0,0,0,0|1,0,0]=2 922 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,0,0,0,0|1,0,0]=2 923 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,1,0,0,0,0|3,0,0]=4 924 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,1,0,0,0,0|3,0,0]=4 925 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,1,0,0,0,0|2,0,0]=3 926 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,1,0,0,0,0|2,0,0]=3 927 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|2,0,1]=4 929 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,0,0,0,0|1,0,0]=2 930 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,0,0,0,0|1,0,0]=2 931 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,0,0,0,0|1,0,0]=2 932 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,0,0,0,0|2,0,0]=3 933 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,1,0,0,0,0|3,0,0]=4 934 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,0,0,0,0|2,0,0]=3 935 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|2,0,1]=4 936 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|2,0,1]=4 937 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,0,0,0,0|1,0,0]=2 938 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,0,0,0,0|1,0,0]=2 939 B9R0.8 CN(CCC#N)C(=O)CO 240690a_100000184479_100000210174 [0,1,0,0,0,0|2,0,1]=4 940 B9R0.8 CN(CCC#N)C(=O)CO 527a_100000184479_100000210174 [0,1,0,0,0,0|2,0,1]=4 941 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,1,0,0,0,0|2,0,0]=3 942 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,1,0,0,0,0|2,0,0]=3 943 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [0,1,0,0,0,0|3,0,0]=4 944 B9R0.8 CNC(=O)C(C)NCCF 34a_100000724931_100000731044 [0,1,0,0,0,0|3,0,0]=4 945 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [0,1,0,0,0,0|3,0,0]=4 946 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [0,1,0,0,0,0|3,0,0]=4 947 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [0,1,0,0,0,0|3,0,0]=4 948 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,1,0,0,0,0|3,0,0]=4 949 B9R0.8 CNC(=O)C(C)SCCF 62a_100000209862_100011217306 [0,1,0,0,0,0|3,0,0]=4 950 B9R0.8 CNC(=O)C(C)SCCF 62a_100011217306_100000731044 [0,1,0,0,0,0|3,0,0]=4 951 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,1,0,0,0,0|3,0,0]=4 952 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,1,0,0,0,0|3,0,0]=4 953 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,1,0,0,0,0|3,0,0]=4 954 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,1,0,0,0,0|3,0,0]=4 955 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,1,0,0,0,0|3,0,0]=4 956 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,1,0,0,0,0|3,0,0]=4 957 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,1,0,0,0,0|3,0,0]=4 958 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 959 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 960 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,1,0,0,0,0|3,0,0]=4 961 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,1,0,0,0,0|3,0,0]=4 962 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 963 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 964 B9R0.8 CNC(=O)[C@@H](C)NCCF 2230a_100000684985_100011217306 [0,1,0,0,0,0|3,0,0]=4 965 B9R0.8 CNC(=O)[C@@H](C)NCCF 34a_100000684985_100011217306 [0,1,0,0,0,0|3,0,0]=4 966 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [0,1,0,0,0,0|3,0,0]=4 967 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [0,1,0,0,0,0|3,0,0]=4 968 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,1,0,0,0,0|3,0,0]=4 970 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,1,0,0,0,0|3,0,0]=4 971 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|1,0,0]=2 972 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|1,0,0]=2 973 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|1,0,0]=2 974 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|1,0,0]=2 975 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|1,0,0]=2 976 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|1,0,0]=2 977 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|1,0,0]=2 978 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,1,0,0,0,0|2,0,0]=3 979 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,1,0,0,0,0|2,0,0]=3 980 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,1,0,0,0,0|2,0,0]=3 981 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,1,0,0,0,0|2,0,0]=3 984 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,1,0,0,0,0|2,0,0]=3 985 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [0,1,0,0,0,0|2,0,1]=4 986 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,1,0,0,0,0|2,0,0]=3 987 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,1,0,0,0,0|2,0,0]=3 988 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,0,0,0,0|2,0,0]=3 989 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,1,0,0,0,0|2,0,0]=3 990 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,1,0,0,0,0|2,0,0]=3 991 B9R0.8 COC(=O)C(C)SCC#N 62a_100000211248_100011215382 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.8 COC(=O)C(C)SCC#N 62a_100011215382_100000211248 [0,1,0,0,0,0|2,0,1]=4 993 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [0,1,0,0,0,0|2,0,1]=4 994 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [0,1,0,0,0,0|2,0,1]=4 995 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,0,0,0,0|2,0,0]=3 996 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,0,0,0,0|2,0,0]=3 997 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,0,0,0,0|2,0,0]=3 998 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,0,0,0,0|2,0,0]=3 999 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,1,0,0,0,0|2,0,0]=3 1000 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,1,0,0,0,0|2,0,0]=3 1001 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,1,0,0,0,0|3,0,0]=4 1002 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,1,0,0,0,0|3,0,0]=4 1003 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|1,0,0]=2 1004 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,1,0,0,0,0|2,0,0]=3 1005 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,1,0,0,0,0|2,0,0]=3 1006 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,1,0,0,0,0|2,0,0]=3 1007 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,1,0,0,0,0|2,0,0]=3 1008 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,1,0,0,0,0|3,0,0]=4 1009 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,1,0,0,0,0|2,0,0]=3 1011 B9R0.8 CSCOC(C)C(=O)NN 34a_100000725659_100011218213 [0,1,0,0,0,0|3,0,0]=4 1012 B9R0.13 C#CCNC(CO)C(=O)O 269956a_100000187304_100000184674 [0,1,0,0,0,0|1,0,2]=4 1013 B9R0.13 C#CCN[C@H](CC)C(=O)O 269956a_100000747097_100000184674 [0,1,0,0,0,0|1,0,2]=4 1014 B9R0.13 C=CCNC(CO)C(=O)O 269956a_100000187304_100000210623 [0,1,0,0,0,0|1,0,2]=4 1015 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [0,1,0,0,0,0|1,0,2]=4 1016 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,1,0,0,0,0|1,0,1]=3 1017 B9R0.13 C=C[C@H](NCCF)C(=O)O 269956a_100016992060_100011217306 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.13 C=C[C@H](NCOC)C(=O)O 269956a_100016992060_100000766300 [0,1,0,0,0,0|2,0,1]=4 1020 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.13 CCC(NCCF)C(=O)N 2230a_100000733705_100011217306 [0,1,0,0,0,0|3,0,0]=4 1022 B9R0.13 CCC(NCCF)C(=O)N 34a_100000724931_100000750255 [0,1,0,0,0,0|3,0,0]=4 1023 B9R0.13 CCC(NCCF)C(=O)N 34a_100000733705_100011217306 [0,1,0,0,0,0|3,0,0]=4 1024 B9R0.13 CCC(NCCO)C(=O)N 2230a_100000733705_100000211926 [0,1,0,0,0,0|3,0,0]=4 1025 B9R0.13 CCC(NCCO)C(=O)N 2230a_100016997473_100000750255 [0,1,0,0,0,0|3,0,0]=4 1026 B9R0.13 CCC(NCCO)C(=O)N 34a_100000733705_100000211926 [0,1,0,0,0,0|3,0,0]=4 1027 B9R0.13 CCC(NCCO)C(=O)N 34a_100016990907_100000750255 [0,1,0,0,0,0|3,0,0]=4 1028 B9R0.13 CCC(NCOC)C(=O)N 2230a_100000733705_100000766300 [0,1,0,0,0,0|3,0,0]=4 1029 B9R0.13 CCC(NCSC)C(=O)N 2230a_100000733705_100011218213 [0,1,0,0,0,0|3,0,0]=4 1030 B9R0.13 CCC(NCSC)C(=O)N 34a_100000733705_100011218213 [0,1,0,0,0,0|3,0,0]=4 1031 B9R0.13 CCC(OCCBr)C(=O)N 34a_100000211926_100000750255 [0,1,0,0,0,0|3,0,0]=4 1032 B9R0.13 CCC(OCCN)C(=O)N 34a_100000210304_100000750255 [0,1,0,0,0,0|3,0,0]=4 1033 B9R0.13 CCC(SCCF)C(=O)N 62a_100000750255_100011217306 [0,1,0,0,0,0|3,0,0]=4 1034 B9R0.13 CCC(SCCF)C(=O)N 62a_100011217306_100000750255 [0,1,0,0,0,0|3,0,0]=4 1035 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [0,1,0,0,0,0|3,0,0]=4 1037 B9R0.13 CCC(SCOC)C(=O)N 62a_100000750255_100000766300 [0,1,0,0,0,0|3,0,0]=4 1038 B9R0.13 CCC(SCOC)C(=O)N 62a_100000766300_100000750255 [0,1,0,0,0,0|3,0,0]=4 1039 B9R0.13 CCC(SCSC)C(=O)N 62a_100000750255_100011218213 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.13 CCC(SCSC)C(=O)N 62a_100011218213_100000750255 [0,1,0,0,0,0|3,0,0]=4 1041 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,0,0,0,0|1,0,0]=2 1042 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,0,0,0,0|1,0,0]=2 1043 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,0,0,0,0|1,0,0]=2 1044 B9R0.13 CCCCC(CC)N(C)C 269982a_100102631434_200011216223 [0,1,0,0,0,0|3,0,0]=4 1045 B9R0.13 CCCCC(CC)N(C)C 270004a_100102631434_100000753412 [0,1,0,0,0,0|3,0,0]=4 1046 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,1,0,0,0,0|1,0,0]=2 1047 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,1,0,0,0,0|1,0,0]=2 1048 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,1,0,0,0,0|1,0,0]=2 1049 B9R0.13 CCCCC(NC)C(C)C 270004a_106832991635_200011215219 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,1,0,0,0,0|1,0,0]=2 1051 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,1,0,0,0,0|1,0,0]=2 1052 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,1,0,0,0,0|1,0,0]=2 1053 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,1,0,0,0,0|1,0,0]=2 1054 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,1,0,0,0,0|1,0,0]=2 1055 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,1,0,0,0,0|2,0,0]=3 1056 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,1,0,0,0,0|2,0,0]=3 1057 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,1,0,0,0,0|2,0,0]=3 1058 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,1,0,0,0,0|2,0,0]=3 1059 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,1,0,0,0,0|1,0,0]=2 1060 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,1,0,0,0,0|1,0,0]=2 1061 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,1,0,0,0,0|1,0,0]=2 1062 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,1,0,0,0,0|1,0,0]=2 1063 B9R0.13 CCCNC(C#N)C(=O)N 2230a_100000039599_100000210303 [0,1,0,0,0,0|2,0,1]=4 1064 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,1,0,0,0,0|2,0,0]=3 1065 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,1,0,0,0,0|1,0,0]=2 1067 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [0,1,0,0,0,0|2,0,1]=4 1069 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [0,1,0,0,0,0|2,0,0]=3 1070 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|2,0,0]=3 1071 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,1,0,0,0,0|1,0,0]=2 1072 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210303 [0,1,0,0,0,0|2,0,1]=4 1073 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210303 [0,1,0,0,0,0|2,0,1]=4 1074 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,1,0,0,0,0|2,0,0]=3 1075 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,1,0,0,0,0|2,0,0]=3 1076 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,1,0,0,0,0|2,0,0]=3 1077 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,1,0,0,0,0|3,0,0]=4 1078 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,1,0,0,0,0|3,0,0]=4 1079 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,1,0,0,0,0|3,0,0]=4 1080 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,1,0,0,0,0|3,0,0]=4 1081 B9R0.13 CC[C@@H](NCC#N)C(=O)O 269956a_100000747097_100011215382 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,1,0,0,0,0|2,0,0]=3 1084 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,1,0,0,0,0|2,0,0]=3 1085 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [0,1,0,0,0,0|2,0,0]=3 1086 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,1,0,0,0,0|2,0,0]=3 1087 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,1,0,0,0,0|2,0,0]=3 1088 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,1,0,0,0,0|2,0,0]=3 1089 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,1,0,0,0,0|1,0,0]=2 1090 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,1,0,0,0,0|1,0,0]=2 1091 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [0,1,0,0,0,0|2,0,0]=3 1092 B9R0.13 COCN[C@@H](CO)C(=O)N 2230a_100000729942_100000766300 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,1,0,0,0,0|2,0,0]=3 1094 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,1,0,0,0,0|2,0,0]=3 1095 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,1,0,0,0,0|1,0,0]=2 1096 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [0,1,0,0,0,0|2,0,0]=3 1097 B9R0.13 CSCN[C@@H](CO)C(=O)N 2230a_100000729942_100011218213 [0,1,0,0,0,0|3,0,0]=4 1098 B9R0.13 CSCN[C@@H](CO)C(=O)N 34a_100000729942_100011218213 [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,1,0,0,0,0|1,0,0]=2 1100 B9R0.13 N#CCNC(CO)C(=O)O 269956a_100000187304_100011215382 [0,1,0,0,0,0|2,0,1]=4 1101 B9R0.13 NC(=O)[C@H](CO)NCCF 2230a_100000729942_100011217306 [0,1,0,0,0,0|3,0,0]=4 1102 B9R0.13 NC(=O)[C@H](CO)NCCF 34a_100000729942_100011217306 [0,1,0,0,0,0|3,0,0]=4 1103 B9R0.13 NC(=O)[C@H](CO)NCCO 2230a_100000729942_100000211926 [0,1,0,0,0,0|3,0,0]=4 1104 B9R0.13 NC(=O)[C@H](CO)NCCO 34a_100000729942_100000211926 [0,1,0,0,0,0|3,0,0]=4 1105 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,1,0,0,0,0|2,0,0]=3 1106 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,1,0,0,0,0|2,0,0]=3 1107 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [0,1,0,0,0,0|2,0,1]=4 1108 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,1,0,0,0,0|1,0,2]=4 1109 B9R0.42 C=C(C)C(C)NC(C)CC 269862a_100000209981_100011216138 [0,1,0,0,0,0|3,0,0]=4 1110 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,0|1,0,2]=4 1111 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,0|3,0,0]=4 1112 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,1,0,0,0,0|3,0,0]=4 1113 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,0|3,0,0]=4 1114 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,0|3,0,0]=4 1115 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,0|3,0,0]=4 1116 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,0|3,0,0]=4 1117 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,1,0,0,0,0|3,0,0]=4 1118 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,1,0,0,0,0|3,0,0]=4 1119 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [0,1,0,0,0,0|3,0,0]=4 1121 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [0,1,0,0,0,0|3,0,0]=4 1122 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,0|3,0,0]=4 1123 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,1,0,0,0,0|3,0,0]=4 1124 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,1,0,0,0,0|3,0,0]=4 1125 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,1,0,0,0,0|3,0,0]=4 1127 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,1,0,0,0,0|3,0,0]=4 1128 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,1,0,0,0,0|3,0,0]=4 1129 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,1,0,0,0,0|3,0,0]=4 1130 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,1,0,0,0,0|3,0,0]=4 1131 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,1,0,0,0,0|3,0,0]=4 1132 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,1,0,0,0,0|2,0,1]=4 1133 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,1,0,0,0,0|2,0,1]=4 1135 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.42 CCC(C)CC(C)N(C)C 270004a_100102631434_100011710205 [0,1,0,0,0,0|3,0,0]=4 1140 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,0,0,0,0|2,0,0]=3 1141 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,0,0,0,0|2,0,0]=3 1142 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,0,0,0,0|2,0,0]=3 1143 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,0,0,0,0|2,0,0]=3 1144 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,0|2,0,0]=3 1145 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,0,0,0,0|2,0,0]=3 1146 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,1,0,0,0,0|3,0,0]=4 1147 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,0|1,0,0]=2 1148 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,0,0,0,0|2,0,0]=3 1149 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,0,0,0,0|2,0,0]=3 1150 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,0,0,0,0|2,0,0]=3 1151 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,0,0,0,0|2,0,0]=3 1152 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,1,0,0,0,0|2,0,0]=3 1153 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,1,0,0,0,0|3,0,0]=4 1154 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,1,0,0,0,0|1,0,1]=3 1155 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,1,0,0,0,0|2,0,0]=3 1156 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,1,0,0,0,0|2,0,0]=3 1157 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,0,0,0,0|2,0,0]=3 1158 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,0,0,0,0|2,0,0]=3 1159 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,0,0,0,0|2,0,0]=3 1160 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,0,0,0,0|2,0,0]=3 1161 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,1,0,0,0,0|3,0,0]=4 1162 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,1,0,0,0,0|3,0,0]=4 1163 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,1,0,0,0,0|2,0,1]=4 1164 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,1,0,0,0,0|2,0,1]=4 1165 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,1,0,0,0,0|2,0,0]=3 1166 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,1,0,0,0,0|2,0,0]=3 1167 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,0,0|2,0,1]=4 1168 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,0,0|2,0,1]=4 1169 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,0|2,0,0]=3 1170 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,1,0,0,0,0|3,0,0]=4 1171 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,1,0,0,0,0|3,0,0]=4 1172 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [0,1,0,0,0,0|3,0,0]=4 1173 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [0,1,0,0,0,0|3,0,0]=4 1174 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 1175 B9R0.47 C#CCCNC(C)C(=O)N 34a_100000755551_100000702099 [0,1,0,0,0,0|1,0,2]=4 1176 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,1,0,0,0,0|0,0,2]=3 1177 B9R0.47 C#CCCN[C@H](C)C(=O)N 2230a_100000119354_100000688953 [0,1,0,0,0,0|1,0,2]=4 1178 B9R0.47 C#CCCN[C@H](C)C(=O)N 34a_100000119354_100000688953 [0,1,0,0,0,0|1,0,2]=4 1179 B9R0.47 C#CCCOC(C)C(=O)C 34a_100000212229_100000688953 [0,1,0,0,0,0|1,0,2]=4 1180 B9R0.47 C#CCCOC(C)C(=O)N 34a_100011215631_100000702099 [0,1,0,0,0,0|1,0,2]=4 1181 B9R0.47 C#CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000688953 [0,1,0,0,0,0|0,0,3]=4 1182 B9R0.47 C#CCCO[C@H](C)C(=O)N 34a_100000731257_100000688953 [0,1,0,0,0,0|1,0,2]=4 1183 B9R0.47 C#CCCO[C@H](C)C(=O)N 7a_100000731257_100000688953 [0,1,0,0,0,0|1,0,2]=4 1184 B9R0.47 C#CCCSC(C)C(=O)C 62a_100000688953_100009814033 [0,1,0,0,0,0|1,0,2]=4 1185 B9R0.47 C#CCCSC(C)C(=O)C 62a_100009814033_100000688953 [0,1,0,0,0,0|1,0,2]=4 1186 B9R0.47 C#CCCSC(C)C(=O)N 62a_100000688953_100000702099 [0,1,0,0,0,0|1,0,2]=4 1187 B9R0.47 C#CCCSC(C)C(=O)N 62a_100000702099_100000688953 [0,1,0,0,0,0|1,0,2]=4 1188 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,1,0,0,0,0|0,0,2]=3 1189 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,1,0,0,0,0|1,0,2]=4 1190 B9R0.47 C#CCOCC(C)C(=O)C 34a_100000032740_100000184674 [0,1,0,0,0,0|1,0,2]=4 1191 B9R0.47 C#CCOCC(C)C(=O)C 7a_100000032740_100000038162 [0,1,0,0,0,0|1,0,2]=4 1192 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [0,1,0,0,0,0|0,0,2]=3 1193 B9R0.47 C/C=C/CN[C@H](C)C(=O)N 34a_100000119354_100102629194 [0,1,0,0,0,0|1,0,2]=4 1194 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [0,1,0,0,0,0|1,0,2]=4 1195 B9R0.47 C/C=C/COC(C)C(=O)N 34a_100016270725_100000702099 [0,1,0,0,0,0|1,0,2]=4 1196 B9R0.47 C/C=C/CO[C@@H](C)C(=O)[O-] 7a_217856618621_100102629194 [0,1,0,0,0,0|0,0,3]=4 1197 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 34a_100000731257_100102629194 [0,1,0,0,0,0|1,0,2]=4 1198 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 7a_100000731257_100102629194 [0,1,0,0,0,0|1,0,2]=4 1199 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [0,1,0,0,0,0|1,0,2]=4 1200 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [0,1,0,0,0,0|1,0,2]=4 1201 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100000702099_100102629194 [0,1,0,0,0,0|1,0,2]=4 1202 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100102629194_100000702099 [0,1,0,0,0,0|1,0,2]=4 1203 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|2,0,0]=3 1204 B9R0.47 C=C(C)C(C)NCCCF 269862a_100015189416_100011216138 [0,1,0,0,0,0|3,0,0]=4 1205 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,1,0,0,0,0|3,0,0]=4 1206 B9R0.47 C=C(C)C(C)NCCOC 269862a_100000209980_100011216138 [0,1,0,0,0,0|3,0,0]=4 1207 B9R0.47 C=C(C)C(C)NCCSC 269862a_100020590264_100011216138 [0,1,0,0,0,0|3,0,0]=4 1208 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [0,1,0,0,0,0|1,0,2]=4 1209 B9R0.47 C=CCCNC(C)C(=O)N 2230a_100015191253_100000702099 [0,1,0,0,0,0|1,0,2]=4 1210 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,1,0,0,0,0|0,0,2]=3 1211 B9R0.47 C=CCCN[C@H](C)C(=O)N 2230a_100000119354_100000754431 [0,1,0,0,0,0|1,0,2]=4 1212 B9R0.47 C=CCCN[C@H](C)C(=O)N 34a_100000119354_100000754431 [0,1,0,0,0,0|1,0,2]=4 1213 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [0,1,0,0,0,0|1,0,2]=4 1214 B9R0.47 C=CCCOC(C)C(=O)N 34a_100011205117_100000702099 [0,1,0,0,0,0|1,0,2]=4 1215 B9R0.47 C=CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000754431 [0,1,0,0,0,0|0,0,3]=4 1216 B9R0.47 C=CCCO[C@H](C)C(=O)N 34a_100000731257_100000754431 [0,1,0,0,0,0|1,0,2]=4 1217 B9R0.47 C=CCCO[C@H](C)C(=O)N 7a_100000731257_100000754431 [0,1,0,0,0,0|1,0,2]=4 1218 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,1,0,0,0,0|1,0,2]=4 1219 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,1,0,0,0,0|1,0,2]=4 1220 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000702099_100000754431 [0,1,0,0,0,0|1,0,2]=4 1221 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000754431_100000702099 [0,1,0,0,0,0|1,0,2]=4 1222 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,0,0,0,0|0,0,2]=3 1223 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,0,0,0,0|1,0,2]=4 1224 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,1,0,0,0,0|1,0,2]=4 1225 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,1,0,0,0,0|1,0,2]=4 1226 B9R0.47 CC#CCNC(C)C(=O)C 2230a_100000685387_100009814033 [0,1,0,0,0,0|1,0,2]=4 1227 B9R0.47 CC#CCNC(C)C(=O)N 2230a_100000685387_100000702099 [0,1,0,0,0,0|1,0,2]=4 1228 B9R0.47 CC#CCNC(C)C(=O)N 34a_100000685387_100000702099 [0,1,0,0,0,0|1,0,2]=4 1229 B9R0.47 CC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000748600 [0,1,0,0,0,0|0,0,2]=3 1230 B9R0.47 CC#CCN[C@H](C)C(=O)N 2230a_100000119354_100000748600 [0,1,0,0,0,0|1,0,2]=4 1231 B9R0.47 CC#CCN[C@H](C)C(=O)N 34a_100000119354_100000748600 [0,1,0,0,0,0|1,0,2]=4 1232 B9R0.47 CC#CCOC(C)C(=O)C 34a_100000212229_100000748600 [0,1,0,0,0,0|1,0,2]=4 1233 B9R0.47 CC#CCOC(C)C(=O)N 34a_100000761923_100000702099 [0,1,0,0,0,0|1,0,2]=4 1234 B9R0.47 CC#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748600 [0,1,0,0,0,0|0,0,3]=4 1235 B9R0.47 CC#CCO[C@H](C)C(=O)N 34a_100000731257_100000748600 [0,1,0,0,0,0|1,0,2]=4 1236 B9R0.47 CC#CCO[C@H](C)C(=O)N 7a_100000731257_100000748600 [0,1,0,0,0,0|1,0,2]=4 1237 B9R0.47 CC#CCSC(C)C(=O)C 62a_100000748600_100009814033 [0,1,0,0,0,0|1,0,2]=4 1238 B9R0.47 CC#CCSC(C)C(=O)C 62a_100009814033_100000748600 [0,1,0,0,0,0|1,0,2]=4 1239 B9R0.47 CC#CCSC(C)C(=O)N 62a_100000702099_100000748600 [0,1,0,0,0,0|1,0,2]=4 1240 B9R0.47 CC#CCSC(C)C(=O)N 62a_100000748600_100000702099 [0,1,0,0,0,0|1,0,2]=4 1241 B9R0.47 CC(=O)C(C)COCC#N 7a_100000032740_100011215382 [0,1,0,0,0,0|2,0,1]=4 1242 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,1,0,0,0,0|2,0,1]=4 1243 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,1,0,0,0,0|2,0,1]=4 1244 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,1,0,0,0,0|2,0,0]=3 1247 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,1,0,0,0,0|2,0,0]=3 1248 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,1,0,0,0,0|2,0,0]=3 1249 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,1,0,0,0,0|2,0,0]=3 1250 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,0,0,0,0|2,0,0]=3 1251 B9R0.47 CC(=O)C(C)SCCC#N 62a_100009814033_100011215226 [0,1,0,0,0,0|2,0,1]=4 1252 B9R0.47 CC(=O)C(C)SCCC#N 62a_100011215226_100009814033 [0,1,0,0,0,0|2,0,1]=4 1253 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,1,0,0,0,0|2,0,0]=3 1254 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,1,0,0,0,0|2,0,0]=3 1255 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,0,0,0,0|2,0,0]=3 1256 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,0,0,0,0|2,0,0]=3 1257 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|2,0,0]=3 1258 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,1,0,0,0,0|1,0,1]=3 1259 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,1,0,0,0,0|1,0,1]=3 1260 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,0,0,0,0|1,0,0]=2 1261 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,0,0,0,0|1,0,0]=2 1262 B9R0.47 CC(COCCF)[N+](=O)[O-] 34a_100000039676_100011217306 [0,1,0,0,0,0|2,0,1]=4 1263 B9R0.47 CC(COCCF)[N+](=O)[O-] 7a_100000039676_100011217306 [0,1,0,0,0,0|2,0,1]=4 1264 B9R0.47 CC(COCCO)[N+](=O)[O-] 34a_100000039676_100000211926 [0,1,0,0,0,0|2,0,1]=4 1265 B9R0.47 CC(COCCO)[N+](=O)[O-] 7a_100000039676_100000211926 [0,1,0,0,0,0|2,0,1]=4 1266 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,1,0,0,0,0|2,0,0]=3 1267 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,1,0,0,0,0|2,0,0]=3 1268 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,1,0,0,0,0|2,0,0]=3 1269 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,1,0,0,0,0|2,0,0]=3 1270 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,1,0,0,0,0|2,0,0]=3 1271 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,1,0,0,0,0|2,0,0]=3 1272 B9R0.47 CC(OCCON)C(=O)N 34a_100000700252_100000702099 [0,1,0,0,0,0|3,0,0]=4 1273 B9R0.47 CC(SCCC#N)C(=O)N 62a_100000702099_100011215226 [0,1,0,0,0,0|2,0,1]=4 1274 B9R0.47 CC(SCCC#N)C(=O)N 62a_100011215226_100000702099 [0,1,0,0,0,0|2,0,1]=4 1275 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,1,0,0,0,0|2,0,0]=3 1276 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,1,0,0,0,0|2,0,0]=3 1277 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,1,0,0,0,0|2,0,0]=3 1278 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,1,0,0,0,0|2,0,0]=3 1279 B9R0.47 CC=CCN[C@H](C)C(=O)N 2230a_100000119354_100000070051 [0,1,0,0,0,0|1,0,2]=4 1280 B9R0.47 CC=CCN[C@H](C)C(=O)N 34a_100000119354_100000070051 [0,1,0,0,0,0|1,0,2]=4 1281 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [0,1,0,0,0,0|1,0,2]=4 1282 B9R0.47 CC=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000070051 [0,1,0,0,0,0|0,0,3]=4 1283 B9R0.47 CC=CCO[C@H](C)C(=O)N 34a_100000731257_100000070051 [0,1,0,0,0,0|1,0,2]=4 1284 B9R0.47 CC=CCO[C@H](C)C(=O)N 7a_100000731257_100000070051 [0,1,0,0,0,0|1,0,2]=4 1285 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [0,1,0,0,0,0|1,0,2]=4 1286 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [0,1,0,0,0,0|1,0,2]=4 1287 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000070051_100000702099 [0,1,0,0,0,0|1,0,2]=4 1288 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000702099_100000070051 [0,1,0,0,0,0|1,0,2]=4 1289 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|1,0,0]=2 1290 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|1,0,0]=2 1291 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|1,0,0]=2 1292 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,0,0,0,0|3,0,0]=4 1293 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,0,0,0,0|3,0,0]=4 1294 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,0,0,0,0|3,0,0]=4 1295 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 1296 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 1297 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 1298 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|2,0,0]=3 1299 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,1]=4 1300 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|1,0,0]=2 1301 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|1,0,0]=2 1302 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,0,0,0,0|1,0,0]=2 1303 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,0,0,0,0|1,0,0]=2 1304 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,1,0,0,0,0|2,0,1]=4 1305 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,0,0,0,0|2,0,0]=3 1306 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,0,0,0,0|2,0,0]=3 1307 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|0,0,0]=1 1308 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,0,0,0,0|1,0,0]=2 1309 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,0,0,0,0|1,0,0]=2 1310 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|1,0,0]=2 1311 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|1,0,0]=2 1312 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,0,0,0,0|1,0,0]=2 1313 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,0,0,0,0|1,0,0]=2 1314 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,1,0,0,0,0|2,0,1]=4 1315 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,0,0,0,0|2,0,0]=3 1316 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,0,0,0,0|2,0,0]=3 1317 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,0,0,0,0|1,0,1]=3 1318 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,0,0,0,0|0,0,1]=2 1319 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,0,0,0,0|1,0,0]=2 1320 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,0,0,0,0|1,0,0]=2 1321 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|1,0,0]=2 1322 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|1,0,0]=2 1323 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|1,0,0]=2 1324 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,0,0,0,0|1,0,0]=2 1325 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,0,0,0,0|1,0,0]=2 1326 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|1,0,0]=2 1327 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,0,0,0,0|2,0,0]=3 1328 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,0,0,0,0|2,0,0]=3 1329 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,0,0,0,0|1,0,1]=3 1330 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,0,0,0,0|1,0,1]=3 1331 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|0,0,0]=1 1332 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|1,0,0]=2 1333 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|1,0,0]=2 1335 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|1,0,0]=2 1336 B9R0.47 CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210303 [0,1,0,0,0,0|1,0,1]=3 1337 B9R0.47 CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210303 [0,1,0,0,0,0|1,0,1]=3 1338 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|2,0,0]=3 1339 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|2,0,1]=4 1340 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|2,0,1]=4 1341 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,1,0,0,0,0|3,0,0]=4 1342 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,1,0,0,0,0|3,0,0]=4 1343 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,1,0,0,0,0|1,0,0]=2 1344 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,1,0,0,0,0|2,0,0]=3 1345 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,1,0,0,0,0|2,0,0]=3 1346 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [0,1,0,0,0,0|2,0,0]=3 1347 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [0,1,0,0,0,0|2,0,0]=3 1348 B9R0.47 CCOCSC(F)C(=O)N 62a_100000739092_100009813875 [0,1,0,0,0,0|3,0,0]=4 1349 B9R0.47 CCOCSC(F)C(=O)N 62a_100009813875_100000739092 [0,1,0,0,0,0|3,0,0]=4 1350 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100000739092_100020610796 [0,1,0,0,0,0|2,0,1]=4 1351 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100020610796_100000739092 [0,1,0,0,0,0|2,0,1]=4 1352 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,1,0,0,0,0|2,0,0]=3 1353 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,1,0,0,0,0|2,0,0]=3 1354 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,1,0,0,0,0|2,0,0]=3 1355 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,1,0,0,0,0|2,0,0]=3 1356 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,1,0,0,0,0|2,0,0]=3 1357 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,1,0,0,0,0|2,0,0]=3 1358 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,1,0,0,0,0|3,0,0]=4 1359 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,0,0,0,0|1,0,0]=2 1360 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,1,0,0,0,0|2,0,0]=3 1361 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,1,0,0,0,0|2,0,0]=3 1362 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,1,0,0,0,0|2,0,0]=3 1363 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,1,0,0,0,0|2,0,0]=3 1364 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,1,0,0,0,0|3,0,0]=4 1365 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,1,0,0,0,0|2,0,1]=4 1366 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,1,0,0,0,0|1,0,1]=3 1367 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,1,0,0,0,0|2,0,0]=3 1368 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,1,0,0,0,0|2,0,0]=3 1369 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,1,0,0,0,0|2,0,0]=3 1370 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,1,0,0,0,0|2,0,0]=3 1371 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,1,0,0,0,0|2,0,0]=3 1372 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,1,0,0,0,0|2,0,0]=3 1373 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,1,0,0,0,0|3,0,0]=4 1374 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,1,0,0,0,0|3,0,0]=4 1375 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,1,0,0,0,0|2,0,1]=4 1376 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,1,0,0,0,0|2,0,1]=4 1377 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,0,0,0,0|1,0,0]=2 1378 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,0,0,0,0|2,0,0]=3 1379 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,1,0,0,0,0|3,0,0]=4 1380 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,1,0,0,0,0|2,0,0]=3 1381 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,1,0,0,0,0|2,0,0]=3 1382 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,1,0,0,0,0|3,0,0]=4 1383 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,0,0,0,0|1,0,0]=2 1384 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,1,0,0,0,0|2,0,0]=3 1385 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,1,0,0,0,0|2,0,0]=3 1386 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,1,0,0,0,0|2,0,0]=3 1387 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,1,0,0,0,0|2,0,0]=3 1388 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,1,0,0,0,0|2,0,0]=3 1389 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,1,0,0,0,0|2,0,0]=3 1390 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 1391 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 1392 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,1,0,0,0,0|1,0,1]=3 1394 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,1,0,0,0,0|2,0,0]=3 1395 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,1,0,0,0,0|2,0,0]=3 1396 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,1,0,0,0,0|2,0,0]=3 1397 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,1,0,0,0,0|2,0,0]=3 1398 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,1,0,0,0,0|2,0,0]=3 1399 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,1,0,0,0,0|2,0,0]=3 1400 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,1,0,0,0,0|3,0,0]=4 1401 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,1,0,0,0,0|3,0,0]=4 1402 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,0,0,0,0|1,0,0]=2 1405 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,0,0,0,0|2,0,0]=3 1406 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,1,0,0,0,0|2,0,0]=3 1407 B9R0.47 CSCOCC(C)[N+](=O)[O-] 34a_100000039676_100011218213 [0,1,0,0,0,0|2,0,1]=4 1408 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,1,0,0,0,0|3,0,0]=4 1409 B9R0.47 C[C@@H](NCCC#N)C(=O)N 2230a_100000119354_100011215226 [0,1,0,0,0,0|2,0,1]=4 1410 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,1,0,0,0,0|2,0,0]=3 1411 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,1,0,0,0,0|2,0,0]=3 1412 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,1,0,0,0,0|2,0,0]=3 1413 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,1,0,0,0,0|2,0,0]=3 1414 B9R0.47 C[C@@H](OCCC#N)C(=O)N 7a_100000731257_100000184422 [0,1,0,0,0,0|2,0,1]=4 1415 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,1,0,0,0,0|2,0,0]=3 1416 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,1,0,0,0,0|2,0,0]=3 1417 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,1,0,0,0,0|2,0,0]=3 1418 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,1,0,0,0,0|2,0,0]=3 1419 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,1,0,0,0,0|1,0,1]=3 1420 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,0,0,0,0|1,0,0]=2 1421 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,0,0,0,0|1,0,0]=2 1422 B9R0.47 C[C@H](NCSC#N)C(=O)O 269956a_100000743915_100000211825 [0,1,0,0,0,0|2,0,1]=4 1423 B9R0.47 C[C@H](OCCC#N)C(=O)[O-] 7a_217856618621_100000184422 [0,1,0,0,0,0|1,0,2]=4 1424 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,1,0,0,0,0|1,0,1]=3 1425 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,1,0,0,0,0|1,0,1]=3 1426 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,1,0,0,0,0|2,0,1]=4 1427 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 1428 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 1429 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,1,0,0,0,0|3,0,0]=4 1430 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,1,0,0,0,0|3,0,0]=4 1431 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,1,0,0,0,0|3,0,0]=4 1432 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,1,0,0,0,0|3,0,0]=4 1433 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,1,0,0,0,0|3,0,0]=4 1435 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,1,0,0,0,0|3,0,0]=4 1436 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,1,0,0,0,0|3,0,0]=4 1437 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,1,0,0,0,0|3,0,0]=4 1438 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,1,0,0,0,0|3,0,0]=4 1439 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,1,0,0,0,0|2,0,1]=4 1440 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,0,0,0,0|2,0,0]=3 1441 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,0,0,0,0|2,0,0]=3 1442 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,1,0,0,0,0|2,0,1]=4 1443 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,1,0,0,0,0|2,0,1]=4 1444 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,1,0,0,0,0|2,0,1]=4 1445 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,1,0,0,0,0|2,0,1]=4 1446 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,1,0,0,0,0|2,0,1]=4 1447 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,1,0,0,0,0|2,0,1]=4 1448 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,1,0,0,0,0|2,0,1]=4 1449 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,1,0,0,0,0|2,0,1]=4 1450 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,1,0,0,0,0|2,0,1]=4 1451 B9R0.51 CC(=O)C(C)(C)OCCF 34a_100000747739_100011217306 [0,1,0,0,0,0|3,0,0]=4 1452 B9R0.51 CC(=O)C(C)(C)OCCF 7a_100000747739_100011217306 [0,1,0,0,0,0|3,0,0]=4 1453 B9R0.51 CC(=O)C(C)(C)OCCO 34a_100000747739_100000211926 [0,1,0,0,0,0|3,0,0]=4 1454 B9R0.51 CC(=O)C(C)(C)OCCO 7a_100000747739_100000211926 [0,1,0,0,0,0|3,0,0]=4 1455 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100000075568_100011217306 [0,1,0,0,0,0|3,0,0]=4 1456 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100011217306_100000075568 [0,1,0,0,0,0|3,0,0]=4 1457 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [0,1,0,0,0,0|3,0,0]=4 1458 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [0,1,0,0,0,0|3,0,0]=4 1459 B9R0.51 CC(C)(CNCF)C(=O)N 34a_100000740840_100015361967 [0,1,0,0,0,0|3,0,0]=4 1460 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,1,0,0,0,0|2,0,0]=3 1461 B9R0.51 CC(C)(CSCF)C(=O)N 62a_100015361967_200009895572 [0,1,0,0,0,0|3,0,0]=4 1462 B9R0.51 CC(C)(CSCF)C(=O)N 62a_200009895572_100015361967 [0,1,0,0,0,0|3,0,0]=4 1463 B9R0.51 CC(C)(NCCF)C(=O)N 2230a_100000743658_100011217306 [0,1,0,0,0,0|3,0,0]=4 1464 B9R0.51 CC(C)(NCCF)C(=O)N 34a_100000724931_100000702505 [0,1,0,0,0,0|3,0,0]=4 1465 B9R0.51 CC(C)(NCCF)C(=O)N 34a_100000743658_100011217306 [0,1,0,0,0,0|3,0,0]=4 1466 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100000743658_100000211926 [0,1,0,0,0,0|3,0,0]=4 1467 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100016997473_100000702505 [0,1,0,0,0,0|3,0,0]=4 1468 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100000743658_100000211926 [0,1,0,0,0,0|3,0,0]=4 1469 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100016990907_100000702505 [0,1,0,0,0,0|3,0,0]=4 1470 B9R0.51 CC(C)(OCCBr)C(=O)N 34a_100000211926_100000702505 [0,1,0,0,0,0|3,0,0]=4 1471 B9R0.51 CC(C)(OCCF)C(=O)N 34a_100011626353_100011217306 [0,1,0,0,0,0|3,0,0]=4 1472 B9R0.51 CC(C)(OCCF)C(=O)N 7a_100011626353_100011217306 [0,1,0,0,0,0|3,0,0]=4 1473 B9R0.51 CC(C)(OCCN)C(=O)N 34a_100000210304_100000702505 [0,1,0,0,0,0|3,0,0]=4 1474 B9R0.51 CC(C)(OCCO)C(=O)N 34a_100011626353_100000211926 [0,1,0,0,0,0|3,0,0]=4 1475 B9R0.51 CC(C)(OCCO)C(=O)N 7a_100011626353_100000211926 [0,1,0,0,0,0|3,0,0]=4 1476 B9R0.51 CC(C)(ONCF)C(=O)O 269956a_100016989451_100015361967 [0,1,0,0,0,0|3,0,0]=4 1477 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100000702505_100011217306 [0,1,0,0,0,0|3,0,0]=4 1478 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100011217306_100000702505 [0,1,0,0,0,0|3,0,0]=4 1479 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000211926_100000702505 [0,1,0,0,0,0|3,0,0]=4 1480 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000702505_100000211926 [0,1,0,0,0,0|3,0,0]=4 1481 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,1,0,0,0,0|1,0,0]=2 1482 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,1,0,0,0,0|1,0,0]=2 1483 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,1,0,0,0,0|1,0,0]=2 1484 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,1,0,0,0,0|1,0,0]=2 1485 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,1,0,0,0,0|2,0,0]=3 1486 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,1,0,0,0,0|2,0,0]=3 1487 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [0,1,0,0,0,0|2,0,0]=3 1488 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [0,1,0,0,0,0|2,0,0]=3 1489 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,1,0,0,0,0|2,0,0]=3 1490 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,1,0,0,0,0|2,0,0]=3 1491 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [0,1,0,0,0,0|2,0,0]=3 1492 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [0,1,0,0,0,0|2,0,0]=3 1493 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [0,1,0,0,0,0|2,0,0]=3 1494 B9R0.51 CCCOC(F)(F)C(=O)[O-] 34a_100000210258_100020612412 [0,1,0,0,0,0|2,0,1]=4 1495 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,1,0,0,0,0|2,0,0]=3 1496 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,1,0,0,0,0|2,0,0]=3 1497 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [0,1,0,0,0,0|2,0,0]=3 1498 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [0,1,0,0,0,0|2,0,0]=3 1499 B9R0.51 CCCSC(C)(C)[N+](=O)[O-] 62a_100000210303_200009813997 [0,1,0,0,0,0|2,0,1]=4 1500 B9R0.51 CCCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210303 [0,1,0,0,0,0|2,0,1]=4 1501 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100000210303_100009811971 [0,1,0,0,0,0|3,0,0]=4 1502 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100009811971_100000210303 [0,1,0,0,0,0|3,0,0]=4 1503 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000210303_100000745680 [0,1,0,0,0,0|2,0,1]=4 1504 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210303 [0,1,0,0,0,0|2,0,1]=4 1505 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [0,1,0,0,0,0|2,0,0]=3 1506 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [0,1,0,0,0,0|2,0,0]=3 1507 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,1,0,0,0,0|1,0,0]=2 1508 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,1,0,0,0,0|2,0,0]=3 1509 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [0,1,0,0,0,0|2,0,0]=3 1510 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [0,1,0,0,0,0|2,0,0]=3 1511 B9R0.51 CCOCC(C)(C)[N+](=O)[O-] 34a_100000032158_100000210202 [0,1,0,0,0,0|2,0,1]=4 1512 B9R0.51 CCOCC(C)(C)[N+](=O)[O-] 7a_100000032158_100000210202 [0,1,0,0,0,0|2,0,1]=4 1513 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [0,1,0,0,0,0|2,0,0]=3 1514 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [0,1,0,0,0,0|2,0,0]=3 1515 B9R0.51 COCNC(C)(C)C(=O)N 2230a_100000743658_100000766300 [0,1,0,0,0,0|3,0,0]=4 1516 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000075568_100000766300 [0,1,0,0,0,0|3,0,0]=4 1517 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000766300_100000075568 [0,1,0,0,0,0|3,0,0]=4 1518 B9R0.51 COCSC(C)(C)C(=O)N 62a_100000702505_100000766300 [0,1,0,0,0,0|3,0,0]=4 1519 B9R0.51 COCSC(C)(C)C(=O)N 62a_100000766300_100000702505 [0,1,0,0,0,0|3,0,0]=4 1520 B9R0.51 CSCNC(C)(C)C(=O)N 2230a_100000743658_100011218213 [0,1,0,0,0,0|3,0,0]=4 1521 B9R0.51 CSCNC(C)(C)C(=O)N 34a_100000743658_100011218213 [0,1,0,0,0,0|3,0,0]=4 1522 B9R0.51 CSCOC(C)(C)C(=O)C 34a_100000747739_100011218213 [0,1,0,0,0,0|3,0,0]=4 1523 B9R0.51 CSCOC(C)(C)C(=O)N 34a_100011626353_100011218213 [0,1,0,0,0,0|3,0,0]=4 1524 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100000075568_100011218213 [0,1,0,0,0,0|3,0,0]=4 1525 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100011218213_100000075568 [0,1,0,0,0,0|3,0,0]=4 1526 B9R0.51 CSCSC(C)(C)C(=O)N 62a_100000702505_100011218213 [0,1,0,0,0,0|3,0,0]=4 1527 B9R0.51 CSCSC(C)(C)C(=O)N 62a_100011218213_100000702505 [0,1,0,0,0,0|3,0,0]=4 1528 B9R0.51 O=C(O)C(F)(F)CNCF 269956a_100000734215_100015361967 [0,1,0,0,0,0|3,0,0]=4 1529 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|1,0,2]=4 1530 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|1,0,2]=4 1531 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|1,0,0]=2 1532 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|1,0,0]=2 1533 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|2,0,0]=3 1534 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|2,0,0]=3 1535 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|2,0,0]=3 1536 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,1,0,0|2,0,0]=3 1537 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,1,0,0|2,0,0]=3 1538 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|2,0,0]=3 1539 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,1,0,0|3,0,0]=4 1540 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,1,0,0|3,0,0]=4 1541 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,1,0,0|3,0,0]=4 1542 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,1,0,0|3,0,0]=4 1543 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 1544 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 1545 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 1546 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,1,0,0|3,0,0]=4 1547 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 1548 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 1549 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,1,0,0|3,0,0]=4 1550 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,1,0,0|1,0,2]=4 1551 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,0,0,1,0,0|3,0,0]=4 1552 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,0,0,1,0,0|3,0,0]=4 1553 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,0,0,1,0,0|3,0,0]=4 1554 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,0,0,1,0,0|3,0,0]=4 1555 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,0,0,1,0,0|3,0,0]=4 1556 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,0,0,1,0,0|3,0,0]=4 1557 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,0,0,1,0,0|3,0,0]=4 1558 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,0,0,1,0,0|3,0,0]=4 1559 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|1,0,2]=4 1560 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|1,0,0]=2 1561 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|2,0,0]=3 1562 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|2,0,0]=3 1563 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,1,0,0|2,0,0]=3 1564 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|2,0,0]=3 1565 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,1,0,0|3,0,0]=4 1566 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,1,0,0|3,0,0]=4 1567 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,1,0,0|1,0,2]=4 1568 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,0,0,1,0,0|1,0,2]=4 1569 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,0,0,1,0,0|1,0,2]=4 1570 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210202 [0,0,0,1,0,0|2,0,1]=4 1571 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000204670 [0,0,0,1,0,0|2,0,1]=4 1572 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,0,0,1,0,0|3,0,0]=4 1573 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,0,0,1,0,0|3,0,0]=4 1574 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,0,0,1,0,0|1,0,2]=4 1575 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,0,0,1,0,0|3,0,0]=4 1576 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,0,0,1,0,0|3,0,0]=4 1577 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,0,0,1,0,0|1,0,2]=4 1578 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,0,0,1,0,0|1,0,2]=4 1579 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|2,0,0]=3 1580 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,0|2,0,0]=3 1581 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,0|3,0,0]=4 1582 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,0|3,0,0]=4 1583 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1584 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1585 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1586 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,1,0,0|3,0,0]=4 1587 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|2,0,0]=3 1588 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|2,0,0]=3 1589 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|2,0,0]=3 1590 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [0,0,0,1,0,0|3,0,0]=4 1591 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,1,0,0|2,0,0]=3 1592 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,1,0,0|2,0,0]=3 1593 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,1,0,0|2,0,0]=3 1594 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,0|2,0,0]=3 1595 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|2,0,0]=3 1596 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,1,0,0|2,0,0]=3 1597 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,1,0,0|2,0,0]=3 1598 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,1,0,0|2,0,0]=3 1599 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|2,0,0]=3 1600 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|2,0,0]=3 1601 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|2,0,0]=3 1602 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|2,0,0]=3 1603 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|2,0,0]=3 1604 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,0,0,1,0,0|3,0,0]=4 1605 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,0,0,1,0,0|3,0,0]=4 1606 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|2,0,0]=3 1607 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|2,0,0]=3 1608 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,0,0,1,0,0|3,0,0]=4 1609 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,0,0,1,0,0|3,0,0]=4 1610 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,0,0,1,0,0|3,0,0]=4 1611 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,0,0,1,0,0|3,0,0]=4 1612 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,0,0,1,0,0|3,0,0]=4 1613 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,0,0,1,0,0|3,0,0]=4 1614 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,0,0,1,0,0|3,0,0]=4 1615 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,0,0,1,0,0|3,0,0]=4 1616 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,0,1,0,0|3,0,0]=4 1617 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,0,1,0,0|3,0,0]=4 1618 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|2,0,0]=3 1619 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|2,0,0]=3 1620 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,0,0,1,0,0|2,0,1]=4 1621 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,0,0,1,0,0|2,0,1]=4 1622 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,0,0,1,0,0|2,0,1]=4 1623 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,0,0,1,0,0|2,0,1]=4 1624 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,0,0,1,0,0|3,0,0]=4 1625 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,0,0,1,0,0|3,0,0]=4 1626 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,0,0,1,0,0|3,0,0]=4 1627 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,0,0,1,0,0|3,0,0]=4 1628 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,0,1,0,0|2,0,0]=3 1629 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [0,0,0,1,0,0|3,0,0]=4 1630 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [0,0,0,1,0,0|3,0,0]=4 1631 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [0,0,0,1,0,0|3,0,0]=4 1632 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,0,0,1,0,0|3,0,0]=4 1633 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,0,0,1,0,0|3,0,0]=4 1634 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [0,0,0,1,0,0|3,0,0]=4 1635 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,0,0,1,0,0|2,0,0]=3 1636 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,0,0,1,0,0|2,0,0]=3 1637 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,0,0,1,0,0|2,0,0]=3 1638 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,0,0,1,0,0|2,0,0]=3 1639 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,0,0,1,0,0|2,0,0]=3 1640 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [0,0,0,1,0,0|3,0,0]=4 1641 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,1,0,0|1,0,0]=2 1642 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,0,0,1,0,0|2,0,0]=3 1643 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,0,0,1,0,0|2,0,0]=3 1644 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [0,0,0,1,0,0|3,0,0]=4 1645 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [0,0,0,1,0,0|3,0,0]=4 1646 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [0,0,0,1,0,0|3,0,0]=4 1647 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [0,0,0,1,0,0|3,0,0]=4 1648 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [0,0,0,1,0,0|3,0,0]=4 1649 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [0,0,0,1,0,0|3,0,0]=4 1650 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [0,0,0,1,0,0|3,0,0]=4 1651 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [0,0,0,1,0,0|3,0,0]=4 1652 B9R1.95 NC(=O)C1CN(C1)CF 34a_100025753142_100015361967 [0,0,0,1,0,0|3,0,0]=4 1653 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,0,1,0,0|2,0,0]=3 1654 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,1,0,0|1,0,0]=2 1655 B9R1.100 CCCNC(C)C1CO1 270004a_100020643023_100000031964 [0,0,0,1,0,0|2,0,1]=4 1656 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,0,0,1,0,0|2,0,0]=3 1657 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,0,0,1,0,0|2,0,0]=3 1658 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,0,0,1,0,0|2,0,0]=3 1659 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,0,0,1,0,0|2,0,0]=3 1660 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,0,0,1,0,0|2,0,0]=3 1661 B9R1.110 CC(=O)N(C)C1COC1 11a_100102693430_100015343762 [0,0,0,1,0,0|3,0,0]=4 1662 B9R1.110 CC(=O)N(C)C1COC1 1626a_100102693430_100015343762 [0,0,0,1,0,0|3,0,0]=4 1663 B9R1.110 CC(=O)N(C)C1COC1 240690a_100102693430_100015343762 [0,0,0,1,0,0|3,0,0]=4 1664 B9R1.110 CC(=O)N(C)C1COC1 527a_100102693430_100103153847 [0,0,0,1,0,0|3,0,0]=4 1665 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [0,0,0,1,0,0|2,0,0]=3 1666 B9R1.110 NC(=O)C(F)N1CCC1 269982a_100000754969_100009813875 [0,0,0,1,0,0|3,0,0]=4 1667 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,0,0,1,0,0|2,0,0]=3 1668 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,0,0,1,0,0|2,0,0]=3 1669 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,0,0,1,0,0|2,0,0]=3 1670 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,0,0,1,0,0|2,0,0]=3 1671 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,0,0,1,0,0|2,0,0]=3 1672 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,0,0,1,0,0|2,0,0]=3 1673 B9R1.112 CC(CC1CC1)N(C)C 270004a_100102631434_200000686933 [0,0,0,1,0,0|3,0,0]=4 1674 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,0,0,1,0,0|2,0,0]=3 1675 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,0,0,1,0,0|2,0,0]=3 1676 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,0,0,1,0,0|2,0,0]=3 1677 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,0,0,1,0,0|2,0,0]=3 1678 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,0|1,0,0]=2 1679 B9R1.112 NC(=O)C(F)NC1CC1 34a_100000212008_100009813875 [0,0,0,1,0,0|3,0,0]=4 1680 B9R1.112 NC(=O)C(F)SC1CC1 62a_100009813875_100000211595 [0,0,0,1,0,0|3,0,0]=4 1681 B9R1.112 O=C([O-])C(F)NC1CC1 34a_100000212008_100020610796 [0,0,0,1,0,0|2,0,1]=4 1682 B9R1.112 O=C([O-])C(F)SC1CC1 62a_100020610796_100000211595 [0,0,0,1,0,0|2,0,1]=4 1683 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,0,0,1,0,0|2,0,1]=4 1684 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,0,0,1,0,0|2,0,1]=4 1685 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,0,0,1,0,0|1,0,0]=2 1686 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,0,0,1,0,0|2,0,0]=3 1687 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,0,1,0,0|2,0,0]=3 1688 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,0,0,1,0,0|1,0,0]=2 1689 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,0,1,0,0|2,0,0]=3 1690 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,0,0,1,0,0|2,0,0]=3 1691 B9R0.4 C#CCCN(C)CC(=O)O 269956a_100000746989_100000688953 [0,0,0,0,0,1|1,0,2]=4 1692 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [0,0,0,0,0,1|1,0,2]=4 1693 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,0,0,0,0,1|3,0,0]=4 1694 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,0,0,0,0,1|3,0,0]=4 1695 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,0,0,0,0,1|3,0,0]=4 1696 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,0,0,0,0,1|3,0,0]=4 1697 B9R0.4 C=C(F)CN(C)CCCC 2230a_100000207549_100009893438 [0,0,0,0,0,1|3,0,0]=4 1698 B9R0.4 C=C(F)CN(C)CCCC 269982a_100000207549_100009893438 [0,0,0,0,0,1|3,0,0]=4 1699 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [0,0,0,0,0,1|1,0,2]=4 1700 B9R0.4 CC#CCN(C)CC(=O)O 269956a_100000746989_100000748600 [0,0,0,0,0,1|1,0,2]=4 1701 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,0,0,0,0,1|3,0,0]=4 1702 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,0,0,0,0,1|3,0,0]=4 1703 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,0,0,0,0,1|3,0,0]=4 1704 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,0,0,0,0,1|3,0,0]=4 1705 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,0,0,0,0,1|2,0,1]=4 1706 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,0,0,0,0,1|2,0,1]=4 1707 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,0,0,0,0,1|1,0,2]=4 1708 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,0,0,0,0,1|1,0,0]=2 1709 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,0,0,0,0,1|1,0,0]=2 1710 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,0,0,0,0,1|1,0,0]=2 1711 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,0,0,0,0,1|1,0,0]=2 1712 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,0,0,0,0,1|2,0,1]=4 1713 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,0,0,0,0,1|2,0,1]=4 1714 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,0,0,0,0,1|2,0,1]=4 1715 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,0,0,0,0,1|2,0,1]=4 1716 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,0,0,0,0,1|2,0,1]=4 1717 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,0,0,0,0,1|2,0,1]=4 1718 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,0,0,0,0,1|2,0,1]=4 1719 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,0,0,0,0,1|2,0,1]=4 1720 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,0,0,0,0,1|2,0,0]=3 1721 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,0,0,0,0,1|2,0,0]=3 1722 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,0,0,0,0,1|2,0,0]=3 1723 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,0,0,0,1|1,0,0]=2 1724 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,0,0,0,0,1|1,0,1]=3 1725 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,0,0,0,0,1|2,0,1]=4 1726 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,0,0,0,0,1|2,0,1]=4 1727 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,0,0,0,0,1|2,0,1]=4 1728 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,0,0,0,0,1|2,0,1]=4 1729 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,0,0,0,0,1|2,0,1]=4 1730 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,0,0,0,0,1|2,0,1]=4 1731 B9R0.4 CCCCN(C)C[N+](=O)[O-] 269982a_100000207549_100000761209 [0,0,0,0,0,1|2,0,1]=4 1732 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,0,0,0,0,1|3,0,0]=4 1733 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,0,0,0,0,1|2,0,0]=3 1734 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,0,0,0,0,1|2,0,0]=3 1735 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,0,0,0,0,1|2,0,0]=3 1736 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,0,0,0,0,1|2,0,0]=3 1737 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100000746989_100011215226 [0,0,0,0,0,1|2,0,1]=4 1738 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100011218032_200000210301 [0,0,0,0,0,1|2,0,1]=4 1739 B9R0.4 CN(CCCF)CC(=O)N 2230a_100000739694_100011934791 [0,0,0,0,0,1|3,0,0]=4 1740 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,0,0,0,0,1|2,0,0]=3 1741 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,0,0,0,0,1|3,0,0]=4 1742 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,0,0,0,0,1|3,0,0]=4 1743 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,0,0,0,0,1|3,0,0]=4 1744 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,0,0,0,0,1|2,0,0]=3 1745 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,0,0,0,0,1|2,0,1]=4 1746 B9R0.4 COCCN(C)CC(=O)N 2230a_100000739694_100011201679 [0,0,0,0,0,1|3,0,0]=4 1747 B9R0.4 COCCN(C)CC(=O)N 2230a_100000743101_100000747473 [0,0,0,0,0,1|3,0,0]=4 1748 B9R0.4 COCCN(C)CC(=O)N 269982a_100000743101_100000187820 [0,0,0,0,0,1|3,0,0]=4 1749 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,0,0,0,0,1|2,0,0]=3 1750 B9R0.4 COCCN(C)CC(=O)[O-] 269982a_100000743101_100020667443 [0,0,0,0,0,1|2,0,1]=4 1751 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,0,0,0,0,1|3,0,0]=4 1752 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,0,0,0,0,1|3,0,0]=4 1753 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000686725_100000747473 [0,0,0,0,0,1|3,0,0]=4 1754 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000739694_100000751147 [0,0,0,0,0,1|3,0,0]=4 1755 B9R0.4 CSCCN(C)CC(=O)N 269982a_100000686725_100000187820 [0,0,0,0,0,1|3,0,0]=4 1756 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,0,0,0,0,1|2,0,0]=3 1757 B9R0.4 CSCCN(C)CC(=O)[O-] 269982a_100000686725_100020667443 [0,0,0,0,0,1|2,0,1]=4 1758 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,0,0,0,0,1|3,0,0]=4 1759 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,0,0,0,0,1|3,0,0]=4 1760 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,0,0,0,0,1|3,0,0]=4 1761 B9R0.4 [13CH3]N(CCC#N)CC(=O)O 269956a_100011218032_200025704644 [0,0,0,0,0,1|2,0,1]=4 1762 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [2,0,0,0,0,0|2,0,0]=4 1763 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [2,0,0,0,0,0|2,0,0]=4 1764 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [2,0,0,0,0,0|2,0,0]=4 1765 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [2,0,0,0,0,0|2,0,0]=4 1766 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [2,0,0,0,0,0|2,0,0]=4 1767 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [2,0,0,0,0,0|2,0,0]=4 1768 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [2,0,0,0,0,0|1,0,1]=4 1769 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [2,0,0,0,0,0|2,0,0]=4 1770 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [2,0,0,0,0,0|2,0,0]=4 1771 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [2,0,0,0,0,0|2,0,0]=4 1772 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [2,0,0,0,0,0|2,0,0]=4 1773 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [2,0,0,0,0,0|2,0,0]=4 1774 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [2,0,0,0,0,0|2,0,0]=4 1775 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|2,0,0]=4 1776 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|2,0,0]=4 1777 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|2,0,0]=4 1778 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|2,0,0]=4 1779 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|2,0,0]=4 1780 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [2,0,0,0,0,0|2,0,0]=4 1781 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [2,0,0,0,0,0|2,0,0]=4 1782 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [2,0,0,0,0,0|2,0,0]=4 1783 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [2,0,0,0,0,0|2,0,0]=4 1784 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [2,0,0,0,0,0|1,0,1]=4 1785 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [2,0,0,0,0,0|1,0,1]=4 1786 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [2,0,0,0,0,0|1,0,1]=4 1787 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [2,0,0,0,0,0|1,0,1]=4 1788 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [2,0,0,0,0,0|1,0,1]=4 1789 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [2,0,0,0,0,0|1,0,1]=4 1790 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [2,0,0,0,0,0|1,0,1]=4 1791 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [2,0,0,0,0,0|1,0,1]=4 1792 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [2,0,0,0,0,0|1,0,1]=4 1793 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [2,0,0,0,0,0|1,0,1]=4 1794 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [2,0,0,0,0,0|1,0,1]=4 1795 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [2,0,0,0,0,0|1,0,1]=4 1796 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [2,0,0,0,0,0|1,0,1]=4 1797 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [2,0,0,0,0,0|1,0,1]=4 1798 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [2,0,0,0,0,0|1,0,1]=4 1799 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|1,0,1]=4 1800 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|1,0,1]=4 1801 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|1,0,1]=4 1802 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,0,1]=4 1803 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,0,1]=4 1804 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,0,1]=4 1805 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|1,0,1]=4 1806 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|1,0,1]=4 1807 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|1,0,1]=4 1808 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|1,0,1]=4 1809 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|1,0,1]=4 1810 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|1,0,1]=4 1811 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|1,0,1]=4 1812 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|1,0,1]=4 1813 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|1,0,1]=4 1814 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,1]=4 1815 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 1816 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 1817 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 1818 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,1]=4 1819 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,1]=4 1820 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|2,0,0]=4 1821 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 1822 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 1823 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|1,0,1]=4 1824 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|1,0,1]=4 1825 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,0,0,0,0|1,0,0]=3 1826 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|1,0,0]=3 1827 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|1,0,0]=3 1828 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [2,0,0,0,0,0|2,0,0]=4 1829 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [2,0,0,0,0,0|2,0,0]=4 1830 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [2,0,0,0,0,0|2,0,0]=4 1831 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,1]=3 1832 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,1]=3 1833 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,1]=3 1834 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|1,0,1]=4 1835 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|1,0,1]=4 1836 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|1,0,1]=4 1837 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|1,0,1]=4 1838 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|1,0,1]=4 1839 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|1,0,1]=4 1840 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 1841 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 1842 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 1843 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,1]=4 1844 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 1845 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 1846 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|1,0,1]=4 1847 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|1,0,1]=4 1848 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [2,0,0,0,0,0|1,0,1]=4 1849 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [2,0,0,0,0,0|1,0,1]=4 1850 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 1851 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 1852 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 1853 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 1854 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|1,0,1]=4 1855 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|1,0,1]=4 1856 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 1857 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|1,0,0]=3 1858 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|1,0,0]=3 1859 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|1,0,0]=3 1860 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|1,0,0]=3 1861 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,1]=4 1862 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,1]=4 1863 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 1864 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,1]=4 1865 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 1866 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [2,0,0,0,0,0|2,0,0]=4 1867 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|1,0,1]=4 1868 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|1,0,1]=4 1869 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [2,0,0,0,0,0|2,0,0]=4 1870 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|1,0,0]=3 1871 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [2,0,0,0,0,0|2,0,0]=4 1872 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|2,0,0]=4 1873 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|1,0,0]=3 1874 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,1]=4 1875 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 1876 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 1877 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,1]=4 1878 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 1879 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 1880 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|1,0,1]=4 1881 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|1,0,1]=4 1882 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|1,0,0]=3 1883 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|1,0,0]=3 1884 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|1,0,0]=3 1885 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|1,0,0]=3 1886 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,1]=4 1887 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 1888 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 1889 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 1890 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [2,0,0,0,0,0|1,0,1]=4 1891 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [2,0,0,0,0,0|1,0,1]=4 1892 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [2,0,0,0,0,0|1,0,1]=4 1893 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [2,0,0,0,0,0|1,0,1]=4 1894 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,0,0,0,0|1,0,0]=3 1895 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,0,0,0,0|1,0,0]=3 1896 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,0,0,0,0|1,0,0]=3 1897 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,0,0,0,0|1,0,0]=3 1898 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 1899 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,1]=4 1900 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,1]=4 1901 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 1902 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 1903 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 1904 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 1905 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 1906 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,1]=4 1907 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|2,0,0]=4 1908 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 1909 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|1,0,1]=4 1910 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 1911 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|1,0,0]=3 1912 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|2,0,0]=4 1913 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,1]=4 1914 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,1]=4 1915 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,1]=4 1916 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,1]=4 1917 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 1918 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 1919 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,1]=4 1920 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|1,0,1]=4 1921 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|1,0,1]=4 1922 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|1,0,0]=3 1923 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|1,0,0]=3 1924 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|2,0,0]=4 1925 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [2,0,0,0,0,0|2,0,0]=4 1926 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [2,0,0,0,0,0|2,0,0]=4 1927 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 1928 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 1929 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 1930 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 1931 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 1932 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 1933 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 1934 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|2,0,0]=4 1935 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 1936 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|2,0,0]=4 1937 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|2,0,0]=4 1938 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 1939 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 1940 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 1941 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|2,0,0]=4 1942 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 1943 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 1944 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 1945 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|2,0,0]=4 1946 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|2,0,0]=4 1947 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|2,0,0]=4 1948 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|2,0,0]=4 1949 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|2,0,0]=4 1950 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|2,0,0]=4 1951 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|2,0,0]=4 1952 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|2,0,0]=4 1953 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|2,0,0]=4 1954 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|2,0,0]=4 1955 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|2,0,0]=4 1956 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|2,0,0]=4 1957 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|2,0,0]=4 1958 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|2,0,0]=4 1959 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|2,0,0]=4 1960 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|2,0,0]=4 1961 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 1962 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|2,0,0]=4 1963 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 1964 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|2,0,0]=4 1965 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1966 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|2,0,0]=4 1967 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1968 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1969 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1970 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|2,0,0]=4 1971 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|2,0,0]=4 1972 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|2,0,0]=4 1973 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|2,0,0]=4 1974 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,1]=4 1975 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,1]=4 1976 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 1977 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,1]=4 1978 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 1979 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 1980 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,1]=4 1981 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,1]=4 1982 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 1983 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 1984 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,1]=4 1985 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,1]=4 1986 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 1987 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 1988 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 1989 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 1990 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 1991 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 1992 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 1993 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,1]=4 1994 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 1995 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 1996 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 1997 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 1998 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 1999 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 2000 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 2001 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 2002 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 2003 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 2004 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 2005 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 2006 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 2007 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 2008 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 2009 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 2010 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 2011 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 2012 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 2013 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 2014 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 2015 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2016 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 2017 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [2,0,0,0,0,0|2,0,0]=4 2018 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [2,0,0,0,0,0|2,0,0]=4 2019 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [2,0,0,0,0,0|2,0,0]=4 2020 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [2,0,0,0,0,0|2,0,0]=4 2021 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [2,0,0,0,0,0|2,0,0]=4 2022 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|1,0,0]=3 2023 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|1,0,0]=3 2024 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|1,0,0]=3 2025 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|2,0,0]=4 2026 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|2,0,0]=4 2027 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 2028 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 2029 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 2030 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [2,0,0,0,0,0|2,0,0]=4 2031 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [2,0,0,0,0,0|2,0,0]=4 2032 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [2,0,0,0,0,0|2,0,0]=4 2033 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [2,0,0,0,0,0|2,0,0]=4 2034 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [2,0,0,0,0,0|2,0,0]=4 2035 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [2,0,0,0,0,0|2,0,0]=4 2036 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|1,0,0]=3 2037 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [2,0,0,0,0,0|2,0,0]=4 2038 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [2,0,0,0,0,0|2,0,0]=4 2039 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [2,0,0,0,0,0|2,0,0]=4 2040 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [2,0,0,0,0,0|2,0,0]=4 2041 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [2,0,0,0,0,0|2,0,0]=4 2042 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [2,0,0,0,0,0|2,0,0]=4 2043 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [2,0,0,0,0,0|1,0,1]=4 2044 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 2045 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 2046 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [2,0,0,0,0,0|2,0,0]=4 2047 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [2,0,0,0,0,0|2,0,0]=4 2048 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [2,0,0,0,0,0|2,0,0]=4 2049 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [2,0,0,0,0,0|2,0,0]=4 2050 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [2,0,0,0,0,0|2,0,0]=4 2051 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [2,0,0,0,0,0|2,0,0]=4 2052 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [2,0,0,0,0,0|2,0,0]=4 2053 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [2,0,0,0,0,0|2,0,0]=4 2054 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 2055 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 2056 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|1,0,0]=3 2057 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [2,0,0,0,0,0|1,0,1]=4 2058 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,1,0,0,0,0|2,0,0]=4 2059 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [1,1,0,0,0,0|2,0,0]=4 2060 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [1,1,0,0,0,0|2,0,0]=4 2061 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [1,1,0,0,0,0|2,0,0]=4 2062 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [1,1,0,0,0,0|2,0,0]=4 2063 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [1,1,0,0,0,0|2,0,0]=4 2064 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [1,1,0,0,0,0|2,0,0]=4 2065 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [1,1,0,0,0,0|2,0,0]=4 2066 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [1,1,0,0,0,0|2,0,0]=4 2067 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|0,0,1]=3 2068 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|0,0,1]=3 2069 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|0,0,1]=3 2070 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|0,0,1]=3 2071 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,1]=4 2072 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,1]=4 2073 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,1]=4 2074 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 2075 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 2076 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 2077 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,1,0,0,0,0|1,0,1]=4 2078 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,1,0,0,0,0|1,0,1]=4 2079 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,1]=4 2080 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,1]=4 2081 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [1,1,0,0,0,0|1,0,1]=4 2082 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [1,1,0,0,0,0|1,0,1]=4 2083 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 2084 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 2085 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,1,0,0,0,0|1,0,1]=4 2086 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,1,0,0,0,0|1,0,1]=4 2087 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,1,0,0,0,0|1,0,1]=4 2088 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,1,0,0,0,0|1,0,1]=4 2089 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,1,0,0,0,0|1,0,1]=4 2090 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,1,0,0,0,0|1,0,1]=4 2091 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,1,0,0,0,0|1,0,1]=4 2092 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,1,0,0,0,0|1,0,1]=4 2093 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,1,0,0,0,0|1,0,1]=4 2094 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,1,0,0,0,0|1,0,1]=4 2095 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 2096 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 2097 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,1,0,0,0,0|1,0,1]=4 2098 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 2099 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 2100 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,1,0,0,0,0|1,0,1]=4 2101 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|1,0,1]=4 2102 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,1,0,0,0,0|1,0,1]=4 2103 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,1,0,0,0,0|1,0,1]=4 2104 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [1,1,0,0,0,0|1,0,1]=4 2105 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 2106 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,1,0,0,0,0|1,0,1]=4 2107 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,1,0,0,0,0|1,0,1]=4 2108 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 2109 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 2110 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 2111 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 2112 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 2113 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 2114 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [1,1,0,0,0,0|1,0,1]=4 2115 B8R0.3 C=CC(C)N(C)CCC 269982a_100000747261_100011215867 [1,1,0,0,0,0|2,0,0]=4 2116 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [1,1,0,0,0,0|2,0,0]=4 2117 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [1,1,0,0,0,0|2,0,0]=4 2118 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [1,1,0,0,0,0|2,0,0]=4 2119 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [1,1,0,0,0,0|2,0,0]=4 2120 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [1,1,0,0,0,0|2,0,0]=4 2121 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [1,1,0,0,0,0|2,0,0]=4 2122 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [1,1,0,0,0,0|2,0,0]=4 2123 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [1,1,0,0,0,0|1,0,1]=4 2124 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [1,1,0,0,0,0|1,0,1]=4 2125 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [1,1,0,0,0,0|1,0,1]=4 2126 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [1,1,0,0,0,0|1,0,1]=4 2127 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [1,1,0,0,0,0|1,0,1]=4 2128 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [1,1,0,0,0,0|1,0,1]=4 2129 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [1,1,0,0,0,0|1,0,1]=4 2130 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [1,1,0,0,0,0|1,0,1]=4 2131 B8R0.6 C#CC(C)NCCCC 2230a_100000707721_100000210211 [1,1,0,0,0,0|1,0,1]=4 2132 B8R0.6 C#CC(C)NCCCC 34a_100000707721_100000210210 [1,1,0,0,0,0|1,0,1]=4 2133 B8R0.6 C#CC(C)OCCCC 34a_100000210227_200000035995 [1,1,0,0,0,0|1,0,1]=4 2134 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [1,1,0,0,0,0|1,0,1]=4 2135 B8R0.6 C#C[C@@H](C)OCCCC 34a_100009815206_100000210210 [1,1,0,0,0,0|1,0,1]=4 2136 B8R0.6 C#C[C@@H](C)OCCCC 7a_100009815206_100000210211 [1,1,0,0,0,0|1,0,1]=4 2137 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,1,0,0,0,0|1,0,0]=3 2138 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,1,0,0,0,0|1,0,0]=3 2139 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [1,1,0,0,0,0|2,0,0]=4 2140 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [1,1,0,0,0,0|2,0,0]=4 2141 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [1,1,0,0,0,0|2,0,0]=4 2142 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [1,1,0,0,0,0|2,0,0]=4 2143 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [1,1,0,0,0,0|2,0,0]=4 2144 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [1,1,0,0,0,0|1,0,0]=3 2145 B8R0.6 C=CC(C)OCCCF 34a_100000695699_100011934791 [1,1,0,0,0,0|2,0,0]=4 2146 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [1,1,0,0,0,0|2,0,0]=4 2147 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [1,1,0,0,0,0|2,0,0]=4 2148 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [1,1,0,0,0,0|2,0,0]=4 2149 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [1,1,0,0,0,0|1,0,0]=3 2150 B8R0.6 C=CC(C)SCCCF 62a_100011215867_100011934791 [1,1,0,0,0,0|2,0,0]=4 2151 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [1,1,0,0,0,0|2,0,0]=4 2152 B8R0.6 C=CC(C)SCCOC 62a_100011215867_100000233755 [1,1,0,0,0,0|2,0,0]=4 2153 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [1,1,0,0,0,0|2,0,0]=4 2154 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [1,1,0,0,0,0|2,0,0]=4 2155 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,1,0,0,0,0|2,0,0]=4 2156 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,1,0,0,0,0|2,0,0]=4 2157 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,1,0,0,0,0|2,0,0]=4 2158 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|2,0,0]=4 2159 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [1,1,0,0,0,0|1,0,1]=4 2160 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [1,1,0,0,0,0|1,0,1]=4 2161 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|1,0,1]=4 2162 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [1,1,0,0,0,0|1,0,1]=4 2163 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [1,1,0,0,0,0|1,0,1]=4 2164 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [1,1,0,0,0,0|1,0,1]=4 2165 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [1,1,0,0,0,0|1,0,1]=4 2166 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [1,1,0,0,0,0|1,0,1]=4 2167 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,1,0,0,0,0|1,0,1]=4 2168 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [1,1,0,0,0,0|1,0,1]=4 2169 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,1,0,0,0,0|1,0,1]=4 2170 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,1]=4 2171 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,1]=4 2172 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|2,0,0]=4 2173 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|2,0,0]=4 2174 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|2,0,0]=4 2175 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|2,0,0]=4 2176 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|2,0,0]=4 2177 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|2,0,0]=4 2178 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2179 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|2,0,0]=4 2180 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2181 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2182 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2183 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|2,0,0]=4 2184 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|2,0,0]=4 2185 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|2,0,0]=4 2186 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|2,0,0]=4 2187 B8R0.6 CCCCNC(C)C#N 2230a_100000102301_100000184139 [1,1,0,0,0,0|1,0,1]=4 2188 B8R0.6 CCCCNC(C)C#N 2230a_100000737613_100000210211 [1,1,0,0,0,0|1,0,1]=4 2189 B8R0.6 CCCCNC(C)C#N 7a_106832991798_100000703298 [1,1,0,0,0,0|1,0,1]=4 2190 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|1,0,1]=4 2191 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|1,0,1]=4 2192 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|1,0,1]=4 2193 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,1,0,0,0,0|0,0,1]=3 2194 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,1,0,0,0,0|0,0,1]=3 2195 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,1,0,0,0,0|0,0,1]=3 2196 B8R0.6 CCCCOC(C)C#N 34a_100011218135_100000210210 [1,1,0,0,0,0|1,0,1]=4 2197 B8R0.6 CCCCOC(C)C#N 7a_100000210227_100000703298 [1,1,0,0,0,0|1,0,1]=4 2198 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,1]=4 2199 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,1]=4 2200 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,1]=4 2201 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,1,0,0,0,0|1,0,1]=4 2202 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,1,0,0,0,0|1,0,1]=4 2203 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 2204 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|0,0,1]=3 2205 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|0,0,1]=3 2206 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [1,1,0,0,0,0|1,0,1]=4 2207 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [1,1,0,0,0,0|1,0,1]=4 2208 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|1,0,1]=4 2209 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|1,0,1]=4 2210 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,1,0,0,0,0|0,0,1]=3 2211 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [1,1,0,0,0,0|2,0,0]=4 2212 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [1,1,0,0,0,0|2,0,0]=4 2213 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,1,0,0,0,0|0,0,1]=3 2214 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,1,0,0,0,0|0,0,1]=3 2215 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|1,0,1]=4 2216 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|1,0,1]=4 2217 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,1,0,0,0,0|0,0,1]=3 2218 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,1,0,0,0,0|2,0,0]=4 2219 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,1,0,0,0,0|1,0,1]=4 2220 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,1,0,0,0,0|1,0,1]=4 2221 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|1,0,1]=4 2222 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,1,0,0,0,0|1,0,1]=4 2223 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|2,0,0]=4 2224 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|1,0,1]=4 2225 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|1,0,1]=4 2226 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|1,0,1]=4 2227 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|0,0,1]=3 2228 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|1,0,1]=4 2229 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|1,0,1]=4 2230 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|1,0,1]=4 2231 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,1,0,0,0,0|2,0,0]=4 2232 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,1,0,0,0,0|1,0,1]=4 2233 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,1,0,0,0,0|1,0,1]=4 2234 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|1,0,1]=4 2235 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|1,0,1]=4 2236 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,1,0,0,0,0|0,0,1]=3 2237 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,1,0,0,0,0|0,0,1]=3 2238 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,1,0,0,0,0|1,0,1]=4 2239 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,1,0,0,0,0|1,0,1]=4 2240 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,1]=4 2241 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|0,0,1]=3 2242 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|0,0,1]=3 2243 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,1]=4 2244 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|2,0,0]=4 2245 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|2,0,0]=4 2246 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,1,0,0,0,0|1,0,1]=4 2247 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,1,0,0,0,0|1,0,1]=4 2248 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,1,0,0,0,0|1,0,1]=4 2249 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,1,0,0,0,0|2,0,0]=4 2250 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 2251 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 2252 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 2253 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 2254 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 2255 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [1,1,0,0,0,0|1,0,1]=4 2256 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [1,1,0,0,0,0|1,0,1]=4 2257 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [1,1,0,0,0,0|1,0,1]=4 2258 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [1,1,0,0,0,0|1,0,1]=4 2259 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [1,1,0,0,0,0|1,0,1]=4 2260 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [1,1,0,0,0,0|1,0,1]=4 2261 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [1,1,0,0,0,0|1,0,1]=4 2262 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [1,1,0,0,0,0|1,0,1]=4 2263 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [1,1,0,0,0,0|1,0,1]=4 2264 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [1,1,0,0,0,0|1,0,1]=4 2265 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [1,1,0,0,0,0|1,0,1]=4 2266 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [1,1,0,0,0,0|1,0,1]=4 2267 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [1,1,0,0,0,0|1,0,1]=4 2268 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [1,1,0,0,0,0|1,0,1]=4 2269 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [1,1,0,0,0,0|1,0,1]=4 2270 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [1,1,0,0,0,0|1,0,1]=4 2271 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [1,1,0,0,0,0|1,0,1]=4 2272 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [1,1,0,0,0,0|1,0,1]=4 2273 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 2274 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [1,1,0,0,0,0|1,0,1]=4 2275 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,1,0,0,0,0|1,0,1]=4 2276 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,1,0,0,0,0|1,0,1]=4 2277 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [1,1,0,0,0,0|1,0,1]=4 2278 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,1,0,0,0,0|1,0,1]=4 2279 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [1,1,0,0,0,0|1,0,1]=4 2280 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [1,1,0,0,0,0|1,0,1]=4 2281 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,1,0,0,0,0|1,0,1]=4 2282 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,1,0,0,0,0|1,0,1]=4 2283 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [1,1,0,0,0,0|1,0,1]=4 2284 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,1,0,0,0,0|1,0,1]=4 2285 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [1,1,0,0,0,0|1,0,1]=4 2286 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [1,1,0,0,0,0|1,0,1]=4 2287 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,1,0,0,0,0|1,0,1]=4 2288 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,1,0,0,0,0|1,0,1]=4 2289 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [1,1,0,0,0,0|2,0,0]=4 2290 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [1,1,0,0,0,0|2,0,0]=4 2291 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [1,1,0,0,0,0|2,0,0]=4 2292 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [1,1,0,0,0,0|2,0,0]=4 2293 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [1,1,0,0,0,0|2,0,0]=4 2294 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [1,1,0,0,0,0|2,0,0]=4 2295 B8R0.9 C=CC(C)SCC(C)O 62a_100011215867_100011218427 [1,1,0,0,0,0|2,0,0]=4 2296 B8R0.9 C=CC(C)SC[C@@H](C)O 62a_100011215867_100009817552 [1,1,0,0,0,0|2,0,0]=4 2297 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [1,1,0,0,0,0|1,0,1]=4 2298 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [1,1,0,0,0,0|2,0,0]=4 2299 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 2300 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 2301 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2302 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,1,0,0,0,0|2,0,0]=4 2303 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [1,1,0,0,0,0|1,0,1]=4 2304 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [1,1,0,0,0,0|1,0,1]=4 2305 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [1,1,0,0,0,0|1,0,1]=4 2306 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [1,1,0,0,0,0|1,0,1]=4 2307 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [1,1,0,0,0,0|1,0,1]=4 2308 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [1,1,0,0,0,0|1,0,1]=4 2309 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [1,1,0,0,0,0|1,0,1]=4 2310 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [1,1,0,0,0,0|1,0,1]=4 2311 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [1,1,0,0,0,0|1,0,1]=4 2312 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [1,1,0,0,0,0|1,0,1]=4 2313 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [1,1,0,0,0,0|1,0,1]=4 2314 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [1,1,0,0,0,0|1,0,1]=4 2315 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [1,1,0,0,0,0|1,0,1]=4 2316 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [1,1,0,0,0,0|1,0,1]=4 2317 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [1,1,0,0,0,0|1,0,1]=4 2318 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [1,1,0,0,0,0|1,0,1]=4 2319 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [1,1,0,0,0,0|1,0,1]=4 2320 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [1,1,0,0,0,0|1,0,1]=4 2321 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [1,1,0,0,0,0|1,0,1]=4 2322 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [1,1,0,0,0,0|1,0,1]=4 2323 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [1,1,0,0,0,0|1,0,1]=4 2324 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [1,1,0,0,0,0|1,0,1]=4 2325 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [1,1,0,0,0,0|1,0,1]=4 2326 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [1,1,0,0,0,0|1,0,1]=4 2327 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [1,1,0,0,0,0|2,0,0]=4 2328 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [1,1,0,0,0,0|2,0,0]=4 2329 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [1,1,0,0,0,0|2,0,0]=4 2330 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [1,1,0,0,0,0|2,0,0]=4 2331 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 2332 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,1,0,0,0,0|2,0,0]=4 2333 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 2334 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2335 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,1,0,0,0,0|2,0,0]=4 2336 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [1,1,0,0,0,0|1,0,1]=4 2337 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [1,1,0,0,0,0|1,0,1]=4 2338 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [1,1,0,0,0,0|1,0,1]=4 2339 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [1,1,0,0,0,0|1,0,1]=4 2340 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [1,1,0,0,0,0|1,0,1]=4 2341 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [1,1,0,0,0,0|1,0,1]=4 2342 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [1,1,0,0,0,0|1,0,1]=4 2343 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [1,1,0,0,0,0|2,0,0]=4 2344 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [1,1,0,0,0,0|2,0,0]=4 2345 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,1,0,0,0,0|1,0,0]=3 2346 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,1,0,0,0,0|1,0,0]=3 2347 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,1,0,0,0,0|1,0,0]=3 2348 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,1,0,0,0,0|1,0,0]=3 2349 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [1,1,0,0,0,0|2,0,0]=4 2350 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|2,0,0]=4 2351 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,1,0,0,0,0|1,0,1]=4 2352 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,1,0,0,0,0|1,0,1]=4 2353 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,1,0,0,0,0|1,0,1]=4 2354 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 2355 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,0,0,0,0|1,0,1]=4 2356 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 2357 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 2358 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 2359 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [1,1,0,0,0,0|1,0,1]=4 2360 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [1,1,0,0,0,0|1,0,1]=4 2361 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [1,1,0,0,0,0|1,0,1]=4 2362 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [1,1,0,0,0,0|1,0,1]=4 2363 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [1,1,0,0,0,0|0,0,1]=3 2364 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [1,1,0,0,0,0|0,0,1]=3 2365 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [1,1,0,0,0,0|0,0,1]=3 2366 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|0,0,1]=3 2367 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [1,1,0,0,0,0|1,0,1]=4 2368 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [1,1,0,0,0,0|1,0,1]=4 2369 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [1,1,0,0,0,0|1,0,1]=4 2370 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [1,1,0,0,0,0|1,0,1]=4 2371 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [1,1,0,0,0,0|1,0,1]=4 2372 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [1,1,0,0,0,0|1,0,1]=4 2373 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [1,1,0,0,0,0|1,0,1]=4 2374 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|1,0,1]=4 2375 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [1,1,0,0,0,0|2,0,0]=4 2376 B8R0.19 C=CC(C)SC(C)CC 62a_100011215867_100000758301 [1,1,0,0,0,0|2,0,0]=4 2377 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|0,0,2]=4 2378 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [1,1,0,0,0,0|2,0,0]=4 2379 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [1,1,0,0,0,0|2,0,0]=4 2380 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [1,1,0,0,0,0|2,0,0]=4 2381 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [1,1,0,0,0,0|1,0,1]=4 2382 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [1,1,0,0,0,0|1,0,1]=4 2383 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [1,1,0,0,0,0|1,0,1]=4 2384 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [1,1,0,0,0,0|1,0,1]=4 2385 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [1,1,0,0,0,0|1,0,1]=4 2386 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [1,1,0,0,0,0|1,0,1]=4 2387 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [1,1,0,0,0,0|1,0,1]=4 2388 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [1,1,0,0,0,0|1,0,1]=4 2389 B8R0.25 C=CC(C)(C)OCCC 34a_100011215311_100000210303 [1,1,0,0,0,0|2,0,0]=4 2390 B8R0.25 C=CC(C)(C)OCCC 7a_100011215311_100000210303 [1,1,0,0,0,0|2,0,0]=4 2391 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [1,1,0,0,0,0|2,0,0]=4 2392 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [1,1,0,0,0,0|2,0,0]=4 2393 B8R0.25 CCCNC(C)(C)CO 2230a_100000210608_100000210303 [1,1,0,0,0,0|1,0,1]=4 2394 B8R0.25 CCNCC(C)(C)CO 2230a_100020635058_100000210202 [1,1,0,0,0,0|1,0,1]=4 2395 B8R0.25 CCOCC(C)(C)CO 34a_100121572206_100009813988 [1,1,0,0,0,0|1,0,1]=4 2396 B8R0.25 CCSCC(C)(C)CO 62a_100000210202_100009813988 [1,1,0,0,0,0|1,0,1]=4 2397 B8R0.25 CCSCC(C)(C)CO 62a_100009813988_100000210202 [1,1,0,0,0,0|1,0,1]=4 2398 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 2399 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 2400 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 2401 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 2402 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 2403 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|0,0,2]=4 2404 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 2405 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 2406 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 2407 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2408 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2409 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2410 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 2411 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 2412 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 2413 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 2414 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,0]=3 2415 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|1,0,1]=4 2416 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2417 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2418 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2419 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2420 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|2,0,0]=4 2421 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|2,0,0]=4 2422 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|2,0,0]=4 2423 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 2424 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 2425 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 2426 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|2,0,0]=4 2427 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 2428 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,1,0,0,0,0|1,0,1]=4 2429 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,1,0,0,0,0|1,0,1]=4 2430 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,1,0,0,0,0|1,0,1]=4 2431 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,1,0,0,0,0|0,0,2]=4 2432 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|0,0,2]=4 2433 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|2,0,0]=4 2434 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|2,0,0]=4 2435 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|2,0,0]=4 2436 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|2,0,0]=4 2437 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|2,0,0]=4 2438 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|2,0,0]=4 2439 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|2,0,0]=4 2440 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 2441 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|2,0,0]=4 2442 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 2443 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|2,0,0]=4 2444 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|2,0,0]=4 2445 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,1,0,0,0,0|2,0,0]=4 2446 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,1,0,0,0,0|2,0,0]=4 2447 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,1,0,0,0,0|2,0,0]=4 2448 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,1,0,0,0,0|2,0,0]=4 2449 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,1,0,0,0,0|2,0,0]=4 2450 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,1,0,0,0,0|2,0,0]=4 2451 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,1,0,0,0,0|2,0,0]=4 2452 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|1,0,1]=4 2453 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|1,0,1]=4 2454 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|1,0,1]=4 2455 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,1,0,0,0,0|0,0,2]=4 2456 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [1,1,0,0,0,0|0,0,2]=4 2457 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,1,0,0,0,0|1,0,1]=4 2458 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,0]=3 2459 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,0]=3 2460 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 2461 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,0]=3 2462 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,0]=3 2463 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 2464 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 2465 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|2,0,0]=4 2466 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|2,0,0]=4 2467 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 2468 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 2469 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|2,0,0]=4 2470 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|2,0,0]=4 2471 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 2472 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 2473 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|2,0,0]=4 2474 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|2,0,0]=4 2475 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|2,0,0]=4 2476 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|2,0,0]=4 2477 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|2,0,0]=4 2478 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|2,0,0]=4 2479 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|2,0,0]=4 2480 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|2,0,0]=4 2481 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|2,0,0]=4 2482 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 2483 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|2,0,0]=4 2484 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|2,0,0]=4 2485 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|2,0,0]=4 2486 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|2,0,0]=4 2487 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,1]=4 2488 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,1]=4 2489 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,1]=4 2490 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,1]=4 2491 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,1]=4 2492 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|1,0,0]=3 2493 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|1,0,0]=3 2494 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|1,0,0]=3 2495 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 2496 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 2497 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 2498 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,0]=3 2499 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|1,0,0]=3 2500 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|1,0,0]=3 2501 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|1,0,0]=3 2502 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|0,0,0]=2 2503 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 2504 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 2505 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 2506 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 2507 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 2508 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 2509 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|2,0,0]=4 2510 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,0]=3 2511 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,0]=3 2512 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,0]=3 2513 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 2514 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 2515 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,0]=3 2516 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|0,0,1]=3 2517 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 2518 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 2519 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 2520 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 2521 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,1,0,0,0,0|1,0,1]=4 2522 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,0]=3 2523 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|1,0,0]=3 2524 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|1,0,0]=3 2525 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,0]=3 2526 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|0,0,1]=3 2527 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|0,0,1]=3 2528 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,1]=4 2529 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,1]=4 2530 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,1]=4 2531 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,1]=4 2532 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [1,1,0,0,0,0|1,0,1]=4 2533 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 2534 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,0,0,0,0|1,0,0]=3 2535 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,0]=3 2536 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 2537 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 2538 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|1,0,0]=3 2539 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 2540 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 2541 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 2542 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|2,0,0]=4 2543 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,0]=3 2544 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,0]=3 2545 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|1,0,0]=3 2546 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|1,0,0]=3 2547 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,1]=4 2548 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,1]=4 2549 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|2,0,0]=4 2550 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|2,0,0]=4 2551 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|1,0,0]=3 2552 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,1]=4 2553 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|2,0,0]=4 2554 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|2,0,0]=4 2555 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|2,0,0]=4 2556 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,1,0,0,0,0|2,0,0]=4 2557 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,1,0,0,0,0|2,0,0]=4 2558 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,0]=3 2559 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 2560 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,0]=3 2561 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 2562 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,0]=3 2563 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 2564 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,1,0,0,0,0|1,0,1]=4 2565 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 2566 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|2,0,0]=4 2567 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 2568 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|2,0,0]=4 2569 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|2,0,0]=4 2570 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,1,0,0,0,0|2,0,0]=4 2571 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,0,0,0,0|2,0,0]=4 2573 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,0,0,0,0|2,0,0]=4 2574 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|1,0,0]=3 2575 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,1,0,0,0,0|2,0,0]=4 2576 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,1,0,0,0,0|2,0,0]=4 2577 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,1,0,0,0,0|1,0,1]=4 2578 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,1,0,0,0,0|1,0,1]=4 2579 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,0]=3 2580 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,0]=3 2581 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|1,0,0]=3 2582 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|1,0,0]=3 2583 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,1]=4 2584 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 2585 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 2586 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 2587 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 2588 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 2589 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 2590 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 2591 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,1,0,0,0,0|2,0,0]=4 2592 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,1,0,0,0,0|2,0,0]=4 2593 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|2,0,0]=4 2594 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|2,0,0]=4 2595 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,0,0,0,0|2,0,0]=4 2596 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,0,0,0,0|2,0,0]=4 2597 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [1,1,0,0,0,0|1,0,1]=4 2598 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [1,1,0,0,0,0|1,0,1]=4 2599 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [1,1,0,0,0,0|1,0,1]=4 2600 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,0]=3 2601 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,0]=3 2602 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|1,0,0]=3 2603 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|2,0,0]=4 2604 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|2,0,0]=4 2605 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|2,0,0]=4 2606 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 2607 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|2,0,0]=4 2608 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 2609 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 2610 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,1,0,0,0,0|2,0,0]=4 2611 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 2612 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|1,0,0]=3 2613 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,1,0,0,0,0|1,0,1]=4 2614 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,0]=3 2615 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,0]=3 2616 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 2617 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 2618 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 2619 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 2620 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 2621 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 2622 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 2623 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 2624 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|2,0,0]=4 2625 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|2,0,0]=4 2626 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,1,0,0,0,0|2,0,0]=4 2627 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,1,0,0,0,0|2,0,0]=4 2628 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|1,0,0]=3 2629 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|2,0,0]=4 2630 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|2,0,0]=4 2631 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|2,0,0]=4 2632 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|2,0,0]=4 2633 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|2,0,0]=4 2634 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|1,0,1]=4 2635 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,1,0,0,0,0|2,0,0]=4 2636 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,1,0,0,0,0|2,0,0]=4 2637 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,1,0,0,0,0|1,0,1]=4 2638 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,1,0,0,0,0|1,0,1]=4 2639 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,1,0,0,0,0|2,0,0]=4 2640 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|2,0,0]=4 2641 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|2,0,0]=4 2642 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,1,0,0,0,0|2,0,0]=4 2643 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,1,0,0,0,0|2,0,0]=4 2644 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,1,0,0,0,0|1,0,1]=4 2645 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,1,0,0,0,0|1,0,1]=4 2646 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,0]=3 2647 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,0]=3 2648 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 2649 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 2650 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 2651 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|2,0,0]=4 2652 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|2,0,0]=4 2653 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|2,0,0]=4 2654 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|2,0,0]=4 2655 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|2,0,0]=4 2656 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,1,0,0,0,0|2,0,0]=4 2657 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,1,0,0,0,0|2,0,0]=4 2658 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|1,0,0]=3 2659 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|2,0,0]=4 2660 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 2661 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,1,0,0,0,0|2,0,0]=4 2662 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,1,0,0,0,0|2,0,0]=4 2663 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 2664 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,1,0,0,0,0|1,0,1]=4 2665 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,1,0,0,0,0|2,0,0]=4 2666 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,1,0,0,0,0|2,0,0]=4 2667 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,1,0,0,0,0|1,0,1]=4 2668 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,1,0,0,0,0|1,0,1]=4 2669 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [1,1,0,0,0,0|2,0,0]=4 2670 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|2,0,0]=4 2671 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,1,0,0,0,0|2,0,0]=4 2672 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|2,0,0]=4 2673 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|2,0,0]=4 2674 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,1,0,0,0,0|2,0,0]=4 2675 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,1,0,0,0,0|2,0,0]=4 2676 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,1,0,0,0,0|1,0,1]=4 2677 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,1,0,0,0,0|2,0,0]=4 2678 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,1,0,0,0,0|2,0,0]=4 2679 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,1,0,0,0,0|2,0,0]=4 2680 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,1,0,0,0,0|2,0,0]=4 2681 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,1,0,0,0,0|2,0,0]=4 2682 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,1,0,0,0,0|2,0,0]=4 2683 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,1,0,0,0,0|2,0,0]=4 2684 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 2685 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 2686 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 2687 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 2688 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,1,0,0,0,0|2,0,0]=4 2689 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,1,0,0,0,0|2,0,0]=4 2690 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,1,0,0,0,0|2,0,0]=4 2691 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,1,0,0,0,0|2,0,0]=4 2692 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,1,0,0,0,0|2,0,0]=4 2693 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,1,0,0,0,0|2,0,0]=4 2694 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,1,0,0,0,0|2,0,0]=4 2695 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,1,0,0,0,0|2,0,0]=4 2696 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,1,0,0,0,0|2,0,0]=4 2697 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,1,0,0,0,0|2,0,0]=4 2698 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,1,0,0,0,0|2,0,0]=4 2699 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,1,0,0,0,0|2,0,0]=4 2700 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,1,0,0,0,0|2,0,0]=4 2701 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,1,0,0,0,0|2,0,0]=4 2702 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,1,0,0,0,0|2,0,0]=4 2703 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|2,0,0]=4 2704 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|1,0,1]=4 2705 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|2,0,0]=4 2706 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|1,0,0]=3 2707 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|1,0,0]=3 2708 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,1,0,0,0,0|2,0,0]=4 2709 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,1,0,0,0,0|2,0,0]=4 2710 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,1,0,0,0,0|1,0,1]=4 2711 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,1,0,0,0,0|1,0,1]=4 2712 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,1,0,0,0,0|1,0,1]=4 2713 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,1,0,0,0,0|1,0,1]=4 2714 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,1,0,0,0,0|1,0,1]=4 2715 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,1,0,0,0,0|1,0,1]=4 2716 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,1,0,0,0,0|1,0,1]=4 2717 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,1,0,0,0,0|1,0,1]=4 2718 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 2719 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|2,0,0]=4 2720 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|1,0,0]=3 2721 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|1,0,0]=3 2722 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 2723 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 2724 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 2725 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 2726 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,1,0,0,0,0|1,0,1]=4 2727 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,1,0,0,0,0|1,0,1]=4 2728 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,1,0,0,0,0|2,0,0]=4 2729 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,1,0,0,0,0|2,0,0]=4 2730 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,1,0,0,0,0|1,0,1]=4 2731 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|1,0,1]=4 2732 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 2733 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|1,0,0]=3 2734 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|1,0,0]=3 2735 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,0]=3 2736 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|2,0,0]=4 2737 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|2,0,0]=4 2738 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|2,0,0]=4 2739 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 2740 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 2741 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|2,0,0]=4 2742 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|2,0,0]=4 2743 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|2,0,0]=4 2744 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|2,0,0]=4 2745 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|2,0,0]=4 2746 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|2,0,0]=4 2747 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|2,0,0]=4 2748 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 2749 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 2750 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 2751 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|2,0,0]=4 2752 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|2,0,0]=4 2753 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|2,0,0]=4 2754 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,1,0,0,0,0|2,0,0]=4 2755 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,1,0,0,0,0|1,0,1]=4 2756 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|1,0,0]=3 2757 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,1,0,0,0,0|2,0,0]=4 2758 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,1,0,0,0,0|2,0,0]=4 2759 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,1,0,0,0,0|2,0,0]=4 2760 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|1,0,0]=3 2761 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,1,0,0,0,0|1,0,1]=4 2762 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,1,0,0,0,0|2,0,0]=4 2763 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|2,0,0]=4 2764 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,1,0,0,0,0|1,0,1]=4 2765 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,1,0,0,0,0|2,0,0]=4 2766 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,1,0,0,0,0|2,0,0]=4 2767 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,1,0,0,0,0|1,0,1]=4 2768 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,1,0,0,0,0|1,0,1]=4 2769 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,1,0,0,0,0|2,0,0]=4 2770 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,1,0,0,0,0|2,0,0]=4 2771 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,1,0,0,0,0|2,0,0]=4 2772 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|2,0,0]=4 2773 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 2774 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 2775 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,1,0,0,0,0|2,0,0]=4 2776 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,1,0,0,0,0|2,0,0]=4 2777 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,1,0,0,0,0|2,0,0]=4 2778 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,1,0,0,0,0|1,0,1]=4 2779 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 2780 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 2781 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 2782 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|1,0,0]=3 2783 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|1,0,1]=4 2784 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 2785 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 2786 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|1,0,1]=4 2787 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|1,0,1]=4 2788 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 2789 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|1,0,0]=3 2790 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|1,0,0]=3 2791 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,1,0,0,0,0|2,0,0]=4 2792 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,1,0,0,0,0|1,0,1]=4 2793 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,1,0,0,0,0|2,0,0]=4 2794 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,1,0,0,0,0|1,0,1]=4 2795 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 2796 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|1,0,0]=3 2797 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 2798 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|1,0,1]=4 2800 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|1,0,1]=4 2801 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [1,1,0,0,0,0|2,0,0]=4 2802 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [1,1,0,0,0,0|2,0,0]=4 2803 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [1,1,0,0,0,0|1,0,1]=4 2804 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [1,1,0,0,0,0|1,0,1]=4 2805 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [1,1,0,0,0,0|1,0,1]=4 2806 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [1,1,0,0,0,0|2,0,0]=4 2807 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [1,1,0,0,0,0|2,0,0]=4 2808 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [1,1,0,0,0,0|2,0,0]=4 2809 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [1,1,0,0,0,0|2,0,0]=4 2810 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2811 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [1,1,0,0,0,0|2,0,0]=4 2812 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [1,1,0,0,0,0|2,0,0]=4 2813 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [1,1,0,0,0,0|2,0,0]=4 2814 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [1,1,0,0,0,0|2,0,0]=4 2815 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [1,1,0,0,0,0|2,0,0]=4 2816 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [1,1,0,0,0,0|2,0,0]=4 2817 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [1,1,0,0,0,0|1,0,0]=3 2818 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [1,1,0,0,0,0|2,0,0]=4 2819 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [1,1,0,0,0,0|2,0,0]=4 2820 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [1,1,0,0,0,0|2,0,0]=4 2821 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [1,1,0,0,0,0|2,0,0]=4 2822 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [1,1,0,0,0,0|2,0,0]=4 2823 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [1,1,0,0,0,0|1,0,0]=3 2824 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [1,1,0,0,0,0|2,0,0]=4 2825 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [1,1,0,0,0,0|2,0,0]=4 2826 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [1,1,0,0,0,0|2,0,0]=4 2827 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [1,1,0,0,0,0|1,0,0]=3 2828 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [1,1,0,0,0,0|1,0,0]=3 2829 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [1,1,0,0,0,0|2,0,0]=4 2830 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [1,1,0,0,0,0|2,0,0]=4 2831 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [1,1,0,0,0,0|2,0,0]=4 2832 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [1,1,0,0,0,0|2,0,0]=4 2833 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [1,1,0,0,0,0|2,0,0]=4 2834 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [1,1,0,0,0,0|2,0,0]=4 2835 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [1,1,0,0,0,0|2,0,0]=4 2836 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [1,1,0,0,0,0|2,0,0]=4 2837 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [1,1,0,0,0,0|2,0,0]=4 2838 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [1,1,0,0,0,0|2,0,0]=4 2839 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [1,1,0,0,0,0|2,0,0]=4 2840 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [1,1,0,0,0,0|2,0,0]=4 2841 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [1,1,0,0,0,0|2,0,0]=4 2842 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [1,1,0,0,0,0|2,0,0]=4 2843 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [1,1,0,0,0,0|2,0,0]=4 2844 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [1,1,0,0,0,0|2,0,0]=4 2845 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [1,1,0,0,0,0|2,0,0]=4 2846 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [1,1,0,0,0,0|1,0,0]=3 2847 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [1,1,0,0,0,0|2,0,0]=4 2848 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [1,1,0,0,0,0|2,0,0]=4 2849 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [1,1,0,0,0,0|2,0,0]=4 2850 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [1,1,0,0,0,0|2,0,0]=4 2851 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [1,1,0,0,0,0|2,0,0]=4 2852 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [1,1,0,0,0,0|2,0,0]=4 2853 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,1,0,0,0,0|1,0,1]=4 2854 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,0,0,0,0|1,0,0]=3 2855 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,0,0,0,0|1,0,0]=3 2856 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,0,0,0,0|1,0,0]=3 2857 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,0,0,0,0|1,0,0]=3 2858 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,0,0,0,0|1,0,0]=3 2859 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,0,0,0,0|1,0,0]=3 2860 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,0,0,0,0|1,0,0]=3 2861 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,1,0,0,0,0|2,0,0]=4 2862 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,1,0,0,0,0|2,0,0]=4 2863 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,1,0,0,0,0|2,0,0]=4 2864 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,1,0,0,0,0|2,0,0]=4 2865 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 2866 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 2867 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|0,0,0]=2 2868 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 2869 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 2870 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|0,0,0]=2 2871 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,1,0,0,0,0|2,0,0]=4 2872 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,1,0,0,0,0|2,0,0]=4 2873 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,1,0,0,0,0|2,0,0]=4 2874 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|1,0,0]=3 2875 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [1,1,0,0,0,0|2,0,0]=4 2876 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|2,0,0]=4 2877 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|1,0,0]=3 2878 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,1,0,0,0,0|2,0,0]=4 2879 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [1,1,0,0,0,0|2,0,0]=4 2880 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [1,1,0,0,0,0|2,0,0]=4 2881 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [1,1,0,0,0,0|2,0,0]=4 2882 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|1,0,0]=3 2883 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,0,0,0,0|1,0,0]=3 2884 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,0,0,0,0|1,0,0]=3 2885 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,0,0,0,0|1,0,0]=3 2886 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|1,0,0]=3 2887 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 2888 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [1,1,0,0,0,0|2,0,0]=4 2889 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,1,0,0,0,0|1,0,0]=3 2890 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [1,1,0,0,0,0|2,0,0]=4 2891 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [1,1,0,0,0,0|2,0,0]=4 2892 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [1,1,0,0,0,0|2,0,0]=4 2893 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [1,1,0,0,0,0|2,0,0]=4 2894 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [1,1,0,0,0,0|2,0,0]=4 2895 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [1,1,0,0,0,0|2,0,0]=4 2896 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [1,1,0,0,0,0|2,0,0]=4 2897 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [1,1,0,0,0,0|2,0,0]=4 2898 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [1,1,0,0,0,0|2,0,0]=4 2899 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [1,1,0,0,0,0|2,0,0]=4 2900 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [1,1,0,0,0,0|2,0,0]=4 2901 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,1,0,0,0,0|2,0,0]=4 2902 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,1,0,0,0,0|2,0,0]=4 2903 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [1,1,0,0,0,0|2,0,0]=4 2904 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [1,1,0,0,0,0|2,0,0]=4 2905 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [1,1,0,0,0,0|1,0,0]=3 2906 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [1,1,0,0,0,0|2,0,0]=4 2907 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [1,1,0,0,0,0|2,0,0]=4 2908 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [1,1,0,0,0,0|2,0,0]=4 2909 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [1,1,0,0,0,0|1,0,1]=4 2910 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [1,1,0,0,0,0|2,0,0]=4 2911 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [1,1,0,0,0,0|2,0,0]=4 2912 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [1,1,0,0,0,0|2,0,0]=4 2913 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [1,1,0,0,0,0|2,0,0]=4 2914 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [1,1,0,0,0,0|2,0,0]=4 2915 B10R0.6 C#CCCCN(C)CC(=O)O 269956a_100000746989_100011215417 [0,1,0,0,0,1|1,0,1]=4 2916 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,1,0,0,0,1|1,0,1]=4 2917 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [0,1,0,0,0,1|2,0,0]=4 2918 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [0,1,0,0,0,1|2,0,0]=4 2919 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,1,0,0,0,1|2,0,0]=4 2920 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,1,0,0,0,1|2,0,0]=4 2921 B10R0.6 CC/C=C\CN(C)CC(=O)O 269956a_100000746989_100103147603 [0,1,0,0,0,1|1,0,1]=4 2922 B10R0.6 CCC#CCN(C)CC(=O)O 269956a_100000746989_100009813939 [0,1,0,0,0,1|1,0,1]=4 2923 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,0,0,0,1|1,0,0]=3 2924 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,0,0,0,1|1,0,0]=3 2925 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,0,0,0,1|1,0,0]=3 2926 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,0,0,0,1|1,0,0]=3 2927 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,1,0,0,0,1|2,0,0]=4 2928 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,1,0,0,0,1|2,0,0]=4 2929 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,1,0,0,0,1|2,0,0]=4 2930 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,1,0,0,0,1|1,0,0]=3 2931 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,1,0,0,0,1|1,0,1]=4 2932 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [0,1,0,0,0,1|2,0,0]=4 2933 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,1,0,0,0,1|1,0,0]=3 2934 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,1,0,0,0,1|1,0,0]=3 2935 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,1,0,0,0,1|1,0,0]=3 2936 B10R0.6 CCOCCN(C)CC(=O)N 2230a_100000739694_100011215890 [0,1,0,0,0,1|2,0,0]=4 2937 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,1,0,0,0,1|1,0,0]=3 2938 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [0,1,0,0,0,1|2,0,0]=4 2939 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [0,1,0,0,0,1|2,0,0]=4 2940 B10R0.6 CCSCCN(C)CC(=O)N 2230a_100000739694_100000757381 [0,1,0,0,0,1|2,0,0]=4 2941 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,1,0,0,0,1|1,0,0]=3 2942 B10R0.6 CN(CCCC#N)CC(=O)O 269956a_100000746989_100000687738 [0,1,0,0,0,1|1,0,1]=4 2943 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [0,1,0,0,0,1|1,0,1]=4 2944 B10R0.6 CN(CCCCF)CC(=O)N 2230a_100000739694_100000729493 [0,1,0,0,0,1|2,0,0]=4 2945 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,1,0,0,0,1|1,0,0]=3 2946 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [0,1,0,0,0,1|2,0,0]=4 2947 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [0,1,0,0,0,1|2,0,0]=4 2948 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [0,1,0,0,0,1|2,0,0]=4 2949 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,1,0,0,0,1|1,0,0]=3 2950 B10R0.6 CN(CCCCO)CC(=O)[O-] 269982a_100000717598_100020667443 [0,1,0,0,0,1|1,0,1]=4 2951 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000224831_100000747473 [0,1,0,0,0,1|2,0,0]=4 2952 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000739694_100000740836 [0,1,0,0,0,1|2,0,0]=4 2953 B10R0.6 COCCCN(C)CC(=O)N 269982a_100000224831_100000187820 [0,1,0,0,0,1|2,0,0]=4 2954 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,1,0,0,0,1|1,0,0]=3 2955 B10R0.6 COCCCN(C)CC(=O)[O-] 269982a_100000224831_100020667443 [0,1,0,0,0,1|1,0,1]=4 2956 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [0,1,0,0,0,1|2,0,0]=4 2957 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [0,1,0,0,0,1|2,0,0]=4 2958 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,1,0,0,0,1|2,0,0]=4 2959 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [0,1,0,0,0,1|2,0,0]=4 2960 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [0,1,0,0,0,1|2,0,0]=4 2961 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,1,0,0,0,1|2,0,0]=4 2962 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,1,0,0,0,1|2,0,0]=4 2963 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,1,0,0,0,1|2,0,0]=4 2964 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,1,0,0,0,1|1,0,0]=3 2965 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,1,0,0,0,1|1,0,0]=3 2966 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,1,0,0,0,1|1,0,1]=4 2967 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,1,0,0,0,1|1,0,1]=4 2968 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,1,0,0,0,1|1,0,0]=3 2969 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,1,0,0,0,1|1,0,0]=3 2970 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,1,0,0,0,1|1,0,0]=3 2971 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,1,0,0,0,1|1,0,0]=3 2972 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,1,0,0,0,1|0,0,0]=2 2973 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,1,0,0,0,1|0,0,0]=2 2974 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,1,0,0,0,1|1,0,0]=3 2975 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,1,0,0,0,1|1,0,0]=3 2976 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,1,0,0,0,1|1,0,0]=3 2977 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,1,0,0,0,1|1,0,0]=3 2978 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,1,0,0,0,1|1,0,0]=3 2979 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,1,0,0,0,1|1,0,0]=3 2980 B10R0.18 CCCCC(C)NC(C)CO 2230a_100000126638_100012180447 [0,1,0,0,0,1|1,0,1]=4 2981 B10R0.18 CCCCC(C)N[C@H](C)CO 2230a_100000737577_200011215066 [0,1,0,0,0,1|1,0,1]=4 2982 B10R0.18 CCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210087 [0,1,0,0,0,1|1,0,1]=4 2983 B10R0.18 CCCCC(C)OC(C)CO 34a_100000687866_100012180447 [0,1,0,0,0,1|1,0,1]=4 2984 B10R0.18 CCCCC(C)OC(C)CO 7a_100000687866_100012180447 [0,1,0,0,0,1|1,0,1]=4 2985 B10R0.18 CCCCC(C)SC(C)CO 62a_100012180447_200011215066 [0,1,0,0,0,1|1,0,1]=4 2986 B10R0.18 CCCCC(C)SC(C)OC 62a_100009879195_200011215066 [0,1,0,0,0,1|1,0,1]=4 2987 B10R0.18 CCCCC(C)SC(C)OC 62a_200011215066_100009879195 [0,1,0,0,0,1|1,0,1]=4 2988 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_100016084084_200011215066 [0,1,0,0,0,1|1,0,1]=4 2989 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_200011215066_100016084084 [0,1,0,0,0,1|1,0,1]=4 2990 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,1,0,0,0,1|2,0,0]=4 2991 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,1,0,0,0,1|2,0,0]=4 2992 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,1,0,0,0,1|2,0,0]=4 2993 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,1,0,0,0,1|2,0,0]=4 2994 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,1,0,0,0,1|1,0,0]=3 2995 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,1,0,0,0,1|1,0,0]=3 2996 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,1,0,0,0,1|1,0,0]=3 2997 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,1,0,0,0,1|1,0,0]=3 2998 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,1,0,0,0,1|1,0,0]=3 2999 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,1,0,0,0,1|1,0,0]=3 3000 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,1,0,0,0,1|2,0,0]=4 3001 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,1,0,0,0,1|2,0,0]=4 3002 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,1,0,0,0,1|2,0,0]=4 3003 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [0,1,0,0,0,1|2,0,0]=4 3004 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [0,1,0,0,0,1|2,0,0]=4 3005 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [0,1,0,0,0,1|2,0,0]=4 3006 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [0,1,0,0,0,1|2,0,0]=4 3007 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [0,1,0,0,0,1|2,0,0]=4 3008 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [0,1,0,0,0,1|2,0,0]=4 3009 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [0,1,0,0,0,1|2,0,0]=4 3010 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [0,1,0,0,0,1|2,0,0]=4 3011 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [0,1,0,0,0,1|2,0,0]=4 3012 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [0,1,0,0,0,1|2,0,0]=4 3013 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [0,1,0,0,0,1|2,0,0]=4 3014 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [0,1,0,0,0,1|2,0,0]=4 3015 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,1,0,0,0,1|2,0,0]=4 3016 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,1,0,0,0,1|2,0,0]=4 3017 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,1,0,0,0,1|2,0,0]=4 3018 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,1,0,0,0,1|2,0,0]=4 3019 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,1,0,0,0,1|2,0,0]=4 3020 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,1,0,0,0,1|2,0,0]=4 3021 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [0,1,0,0,0,1|2,0,0]=4 3022 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [0,1,0,0,0,1|2,0,0]=4 3023 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [0,1,0,0,0,1|2,0,0]=4 3024 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [0,1,0,0,0,1|2,0,0]=4 3025 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [0,1,0,0,0,1|2,0,0]=4 3026 B10R0.28 CCCCC(C)NS(=O)(=O)C 40a_100000126638_100000738038 [0,1,0,0,0,1|1,0,1]=4 3027 B10R0.32 CC(CCO)N(C)CC(=O)O 269956a_100000746989_100009893172 [0,1,0,0,0,1|2,0,0]=4 3028 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,0,0,0,1|1,0,1]=4 3029 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,1,0,0,0,1|1,0,1]=4 3030 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,0,0,0,1|1,0,1]=4 3031 B10R0.32 CCCC(C)N(C)CC(=O)N 2230a_100000739694_100000766640 [0,1,0,0,0,1|2,0,0]=4 3032 B10R0.32 CCCC(C)N(C)CC(=O)N 270004a_100000739694_100000211909 [0,1,0,0,0,1|2,0,0]=4 3033 B10R0.32 CCCC(C)N(C)CC(=O)O 269956a_100000746989_100000766640 [0,1,0,0,0,1|1,0,0]=3 3034 B10R0.32 CCCN(C)C(C)OC(=O)C 269982a_100000747261_100009818208 [0,1,0,0,0,1|2,0,0]=4 3035 B10R0.32 COCC(C)N(C)CC(=O)O 269956a_100000746989_100000765312 [0,1,0,0,0,1|2,0,0]=4 3036 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,1,0,0,0,1|1,0,1]=4 3037 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,1,0,0,0,1|1,0,0]=3 3038 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,1,0,0,0,1|1,0,0]=3 3039 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,1,0,0,0,1|1,0,0]=3 3040 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,1,0,0,0,1|1,0,0]=3 3041 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000739694_100000748023 [0,1,0,0,0,1|2,0,0]=4 3042 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000753921_100000747473 [0,1,0,0,0,1|2,0,0]=4 3043 B10R0.44 CCC(C)CN(C)CC(=O)N 269982a_100000753921_100000187820 [0,1,0,0,0,1|2,0,0]=4 3044 B10R0.44 CCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243153 [0,1,0,0,0,1|2,0,0]=4 3045 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,1,0,0,0,1|1,0,0]=3 3046 B10R0.44 CCC(C)CN(C)CC(=O)[O-] 269982a_100000753921_100020667443 [0,1,0,0,0,1|1,0,1]=4 3047 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100000758301_100009818208 [0,1,0,0,0,1|2,0,0]=4 3048 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100009818208_100000758301 [0,1,0,0,0,1|2,0,0]=4 3049 B10R0.44 CCC(O)CN(C)CC(=O)N 2230a_100000739694_100011218378 [0,1,0,0,0,1|2,0,0]=4 3050 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [0,1,0,0,0,1|1,0,0]=3 3051 B10R0.44 CC[C@H](C)CN(C)CC(=O)N 2230a_100000739694_100009816398 [0,1,0,0,0,1|2,0,0]=4 3052 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,1,0,0,0,1|1,0,0]=3 3053 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [0,1,0,0,0,1|2,0,0]=4 3054 B10R0.44 CN(CC(=O)O)C[C@@H](O)CF 269956a_100000746989_100015614560 [0,1,0,0,0,1|2,0,0]=4 3055 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [0,1,0,0,0,1|2,0,0]=4 3056 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,1,0,0,0,1|2,0,0]=4 3057 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,1,0,0,0,1|2,0,0]=4 3058 B10R0.81 CC(C(=O)O)N(C)CCCF 269956a_100000749554_100011934791 [0,1,0,0,0,1|2,0,0]=4 3059 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,1,0,0,0,1|2,0,0]=4 3060 B10R0.81 CCCCC(C)C(=O)C(O)O 1458a_100000233687_200011215066 [0,1,0,0,0,1|0,0,2]=4 3061 B10R0.81 CCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011215066 [0,1,0,0,0,1|1,0,1]=4 3062 B10R0.81 CCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011215066 [0,1,0,0,0,1|1,0,1]=4 3063 B10R0.81 CCCCN(C)C(=O)C(=O)N 240690a_100000207549_100011215815 [0,1,0,0,0,1|2,0,0]=4 3064 B10R0.81 CCCCN(C)C(C)C(=O)C 2230a_100000207549_100009814033 [0,1,0,0,0,1|2,0,0]=4 3065 B10R0.81 CCCCN(C)C(C)C(=O)C 269982a_100000207549_100009814033 [0,1,0,0,0,1|2,0,0]=4 3066 B10R0.81 CCCCN(C)C(C)C(=O)N 2230a_100000207549_100000702099 [0,1,0,0,0,1|2,0,0]=4 3067 B10R0.81 CCCCN(C)C(C)C(=O)N 269982a_100000207549_100000184083 [0,1,0,0,0,1|2,0,0]=4 3068 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,1,0,0,0,1|1,0,0]=3 3069 B10R0.81 CCCCN(C)C(F)C(=O)N 2230a_100000207549_100009813875 [0,1,0,0,0,1|2,0,0]=4 3070 B10R0.81 CCCCN(C)C(F)C(=O)N 269982a_100000207549_100009813875 [0,1,0,0,0,1|2,0,0]=4 3071 B10R0.81 CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210303 [0,1,0,0,0,1|2,0,0]=4 3072 B10R0.81 CCOCN(C)C(C)C(=O)O 269956a_100000749554_100000739092 [0,1,0,0,0,1|2,0,0]=4 3073 B10R0.81 COCCN(C)C(C)C(=O)O 269956a_100000749554_100000233755 [0,1,0,0,0,1|2,0,0]=4 3074 B10R0.81 CSCCN(C)C(C)C(=O)O 269956a_100000749554_100000212216 [0,1,0,0,0,1|2,0,0]=4 3075 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,1,0,0,0,1|1,0,0]=3 3076 B10R0.87 CCCCN(CC)CC(=O)N 2230a_100000207695_100000747473 [0,1,0,0,0,1|2,0,0]=4 3077 B10R0.87 CCCCN(CC)CC(=O)N 269982a_100000207695_100000187820 [0,1,0,0,0,1|2,0,0]=4 3078 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [0,1,0,0,0,1|1,0,0]=3 3079 B10R0.87 CCCCN(CC)CC(=O)[O-] 269982a_100000207695_100020667443 [0,1,0,0,0,1|1,0,1]=4 3080 B10R0.87 CCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210211 [0,1,0,0,0,1|1,0,1]=4 3081 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,1,0,0,0,1|1,0,0]=3 3082 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,1,0,0,0,1|1,0,0]=3 3083 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,1,0,0,0,1|1,0,0]=3 3084 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [0,1,0,0,0,1|1,0,0]=3 3085 B10R0.87 CCN(CCCF)CC(=O)O 269956a_100000746405_100011934791 [0,1,0,0,0,1|2,0,0]=4 3086 B10R0.87 CCN(CCCO)CC(=O)O 269956a_100000746405_100011215043 [0,1,0,0,0,1|2,0,0]=4 3087 B10R0.87 CCN(CCOC)CC(=O)O 269956a_100000746405_100000233755 [0,1,0,0,0,1|2,0,0]=4 3088 B10R0.87 CCN(CCSC)CC(=O)O 269956a_100000746405_100000212216 [0,1,0,0,0,1|2,0,0]=4 3089 B10R0.87 CCOCN(CC)CC(=O)O 269956a_100000746405_100000739092 [0,1,0,0,0,1|2,0,0]=4 3090 B10R0.87 CC[C@H](CC(=O)O)NCCF 269956a_100016995926_100011217306 [0,1,0,0,0,1|2,0,0]=4 3091 B10R0.87 CC[C@H](CC(=O)O)NCCO 269956a_100016995926_100000211926 [0,1,0,0,0,1|2,0,0]=4 3092 B10R0.87 CC[C@H](CC(=O)O)NCOC 269956a_100016995926_100000766300 [0,1,0,0,0,1|2,0,0]=4 3093 B10R0.87 CC[C@H](CC(=O)O)NCSC 269956a_100016995926_100011218213 [0,1,0,0,0,1|2,0,0]=4 3094 B10R0.87 COCN[C@H](CO)CC(=O)O 269956a_100009816507_100000766300 [0,1,0,0,0,1|2,0,0]=4 3095 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,1,0,0,0,1|2,0,0]=4 3096 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,1,0,0,0,1|2,0,0]=4 3097 B10R0.87 CSCN[C@H](CO)CC(=O)O 269956a_100009816507_100011218213 [0,1,0,0,0,1|2,0,0]=4 3098 B10R0.87 O=C(O)C[C@@H](CO)NCCF 269956a_100009816507_100011217306 [0,1,0,0,0,1|2,0,0]=4 3099 B10R0.87 O=C(O)C[C@@H](CO)NCCO 269956a_100009816507_100000211926 [0,1,0,0,0,1|2,0,0]=4 3100 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,1,0,0,0,1|1,0,1]=4 3101 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,1,0,0,0,1|1,0,1]=4 3102 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,1,0,0,0,1|1,0,0]=3 3103 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,1,0,0,0,1|1,0,0]=3 3104 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,1,0,0,0,1|1,0,0]=3 3105 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,1,0,0,0,1|1,0,0]=3 3106 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,1,0,0,0,1|2,0,0]=4 3107 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,1,0,0,0,1|2,0,0]=4 3108 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100009818208_100011218427 [0,1,0,0,0,1|2,0,0]=4 3109 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100011218427_100009818208 [0,1,0,0,0,1|2,0,0]=4 3110 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100009818208 [0,1,0,0,0,1|2,0,0]=4 3111 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009818208_100009817552 [0,1,0,0,0,1|2,0,0]=4 3112 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,1,0,0,0,1|2,0,0]=4 3113 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,1,0,0,0,1|2,0,0]=4 3114 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,1,0,0,0,1|2,0,0]=4 3115 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,1,0,0,0,1|1,0,0]=3 3116 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,1,0,0,0,1|1,0,1]=4 3117 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,1,0,0,0,1|2,0,0]=4 3118 B10R0.96 CC(C)OCN(C)CC(=O)O 269956a_100000746989_100000709892 [0,1,0,0,0,1|2,0,0]=4 3119 B10R0.96 CC(O)CCN(C)CC(=O)N 2230a_100000739694_100012276601 [0,1,0,0,0,1|2,0,0]=4 3120 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,1,0,0,0,1|1,0,0]=3 3121 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [0,1,0,0,0,1|2,0,0]=4 3122 B10R0.122 CC(C)(CC(=O)O)NCCF 269956a_100000755897_100011217306 [0,1,0,0,0,1|2,0,0]=4 3123 B10R0.122 CC(C)(CC(=O)O)NCCO 269956a_100000755897_100000211926 [0,1,0,0,0,1|2,0,0]=4 3124 B10R0.122 CCCC[Si](C)(C)CC(=O)C 1458a_100000070787_200000073895 [0,1,0,0,0,1|1,1,0]=4 3125 B10R0.122 CCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210303 [0,1,0,0,0,1|2,0,0]=4 3126 B10R0.122 CCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210207 [0,1,0,0,0,1|1,0,0]=3 3127 B10R0.122 CCCOC(C)(C)CC(=O)C 7a_100000210262_100000210303 [0,1,0,0,0,1|2,0,0]=4 3128 B10R0.122 COCNC(C)(C)CC(=O)O 269956a_100000755897_100000766300 [0,1,0,0,0,1|2,0,0]=4 3129 B10R0.122 CSCNC(C)(C)CC(=O)O 269956a_100000755897_100011218213 [0,1,0,0,0,1|2,0,0]=4 3130 B10R0.5 CCCCNC(C)C(C)(C)O 269862a_100000102301_100000747739 [0,2,0,0,0,0|1,0,1]=4 3131 B10R0.5 CCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210211 [0,2,0,0,0,0|1,0,1]=4 3132 B10R0.13 C=C(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000748629 [0,2,0,0,0,0|1,0,1]=4 3133 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,2,0,0,0,0|1,0,1]=4 3134 B10R0.13 CC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000179758 [0,2,0,0,0,0|1,0,1]=4 3135 B10R0.13 CC(=O)C(C)N(C)CC(C)C 2230a_100000747067_100009814033 [0,2,0,0,0,0|2,0,0]=4 3136 B10R0.13 CC(=O)C(C)N(C)CC(C)C 269982a_100000747067_100009814033 [0,2,0,0,0,0|2,0,0]=4 3137 B10R0.13 CC(=O)C(C)N(C)CC(C)O 2230a_100000227577_100009814033 [0,2,0,0,0,0|2,0,0]=4 3138 B10R0.13 CC(=O)C(C)N(C)CC(C)O 269982a_100000227577_100009814033 [0,2,0,0,0,0|2,0,0]=4 3139 B10R0.13 CC(=O)N(C)C(C)CC(C)C 11a_100000745462_100015343762 [0,2,0,0,0,0|2,0,0]=4 3140 B10R0.13 CC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100015343762 [0,2,0,0,0,0|2,0,0]=4 3141 B10R0.13 CC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100015343762 [0,2,0,0,0,0|2,0,0]=4 3142 B10R0.13 CC(=O)N(C)C(C)CC(C)C 527a_100000745462_100103153847 [0,2,0,0,0,0|2,0,0]=4 3143 B10R0.13 CC(C(=O)N)C(=O)C[C@@H](C)O 1458a_100011933948_100000702099 [0,2,0,0,0,0|1,0,1]=4 3144 B10R0.13 CC(C(=O)O)N(C)CC(F)F 269956a_100000749554_100011934356 [0,2,0,0,0,0|2,0,0]=4 3145 B10R0.13 CC(C(=O)O)N(C)C[C@@H](C)O 269956a_100000749554_100009817552 [0,2,0,0,0,0|1,0,0]=3 3146 B10R0.13 CC(C)CC(=O)C(C)C(=O)N 1458a_100000210554_100000702099 [0,2,0,0,0,0|1,0,1]=4 3147 B10R0.13 CC(C)CN(C)C(C)C(=O)N 2230a_100000747067_100000702099 [0,2,0,0,0,0|2,0,0]=4 3148 B10R0.13 CC(C)CN(C)C(C)C(=O)N 269982a_100000747067_100000184083 [0,2,0,0,0,0|2,0,0]=4 3149 B10R0.13 CC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000210760 [0,2,0,0,0,0|1,0,0]=3 3150 B10R0.13 CC(O)CN(C)C(C)C(=O)N 2230a_100000227577_100000702099 [0,2,0,0,0,0|2,0,0]=4 3151 B10R0.13 CC(O)CN(C)C(C)C(=O)N 269982a_100000227577_100000184083 [0,2,0,0,0,0|2,0,0]=4 3152 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [0,2,0,0,0,0|1,0,0]=3 3153 B10R0.25 CC(C(=O)O)N(CF)CCO 269956a_100011300695_100015361967 [0,2,0,0,0,0|2,0,0]=4 3154 B10R0.25 CCCC(C#N)N(C)C(=O)C 11a_100000727963_100015343762 [0,2,0,0,0,0|2,0,0]=4 3155 B10R0.25 CCCC(C#N)N(C)C(=O)C 1626a_100000727963_100015343762 [0,2,0,0,0,0|2,0,0]=4 3156 B10R0.25 CCCC(C#N)N(C)C(=O)C 240690a_100000727963_100015343762 [0,2,0,0,0,0|2,0,0]=4 3157 B10R0.25 CCCN(CC)C(C)C(=O)C 2230a_100000226822_100009814033 [0,2,0,0,0,0|2,0,0]=4 3158 B10R0.25 CCCN(CC)C(C)C(=O)C 269982a_100000226822_100009814033 [0,2,0,0,0,0|2,0,0]=4 3159 B10R0.25 CCCN(CC)C(C)C(=O)N 2230a_100000226822_100000702099 [0,2,0,0,0,0|2,0,0]=4 3160 B10R0.25 CCCN(CC)C(C)C(=O)N 2230a_100020603310_100000210303 [0,2,0,0,0,0|2,0,0]=4 3161 B10R0.25 CCCN(CC)C(C)C(=O)N 269982a_100000226822_100000184083 [0,2,0,0,0,0|2,0,0]=4 3162 B10R0.25 CCCN(CC)C(C)C(=O)N 269982a_100020603310_100000210303 [0,2,0,0,0,0|2,0,0]=4 3163 B10R0.25 CCC[C@@H](NC)C(O)C(=O)N 2230a_200132311066_200000210301 [0,2,0,0,0,0|2,0,0]=4 3164 B10R0.25 CCC[C@@H](N[13CH3])C(O)C(=O)N 2230a_200132311066_200025704644 [0,2,0,0,0,0|2,0,0]=4 3165 B10R0.25 CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210202 [0,2,0,0,0,0|2,0,0]=4 3166 B10R0.35 CC(CCO)N(C)C(=O)CO 240690a_100000731037_100000210174 [0,2,0,0,0,0|2,0,0]=4 3167 B10R0.35 CC(CCO)N(C)C(=O)CO 527a_100000731037_100000210174 [0,2,0,0,0,0|2,0,0]=4 3168 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,2,0,0,0,0|1,0,1]=4 3169 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [0,2,0,0,0,0|1,0,1]=4 3170 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,2,0,0,0,0|0,0,1]=3 3171 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,2,0,0,0,0|0,0,1]=3 3172 B10R0.35 CCCN(C)C(C)C(=O)CC 2230a_100000747261_100000742827 [0,2,0,0,0,0|2,0,0]=4 3173 B10R0.35 CCCN(C)C(C)C(=O)CC 269982a_100000747261_100000742827 [0,2,0,0,0,0|2,0,0]=4 3174 B10R0.35 CCCN(C)C(C)C(=O)NC 2230a_100000747261_100000731044 [0,2,0,0,0,0|2,0,0]=4 3175 B10R0.35 CCCN(C)C(C)C(=O)NC 269982a_100000747261_100000209862 [0,2,0,0,0,0|2,0,0]=4 3176 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [0,2,0,0,0,0|1,0,0]=3 3177 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [0,2,0,0,0,0|1,0,0]=3 3178 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [0,2,0,0,0,0|1,0,0]=3 3179 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [0,2,0,0,0,0|1,0,0]=3 3180 B10R0.35 CCNC(=O)C(C)C(=O)CO 1458a_100000210174_100000230173 [0,2,0,0,0,0|1,0,1]=4 3181 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [0,2,0,0,0,0|1,0,1]=4 3182 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [0,2,0,0,0,0|1,0,1]=4 3183 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [0,2,0,0,0,0|1,0,1]=4 3184 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [0,2,0,0,0,0|1,0,1]=4 3185 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 3186 B10R0.35 COC(=O)C(C)C(=O)CCF 1458a_100012027023_100011217306 [0,2,0,0,0,0|1,0,1]=4 3187 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100011216618_100000211248 [0,2,0,0,0,0|1,0,1]=4 3188 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100012027023_100000211926 [0,2,0,0,0,0|1,0,1]=4 3189 B10R0.35 COC(=O)C(C)C(=O)CSC 1458a_100000184570_100000211248 [0,2,0,0,0,0|1,0,1]=4 3190 B10R0.35 COC(=O)C(C)N(C)CCF 2230a_100000725243_100011217306 [0,2,0,0,0,0|2,0,0]=4 3191 B10R0.35 COC(=O)C(C)N(C)CCF 269982a_100000725243_100011217306 [0,2,0,0,0,0|2,0,0]=4 3192 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 3193 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 3194 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 3195 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 3196 B10R0.35 COC(=O)C(C)N(C)CSC 2230a_100000725243_100011218213 [0,2,0,0,0,0|2,0,0]=4 3197 B10R0.35 COC(=O)C(C)N(C)CSC 269982a_100000725243_100011218213 [0,2,0,0,0,0|2,0,0]=4 3198 B10R0.35 COCC(=O)C(C)C(=O)OC 1458a_100000210968_100000211248 [0,2,0,0,0,0|1,0,1]=4 3199 B10R0.35 COCN(C)C(C)C(=O)OC 2230a_100000725243_100000766300 [0,2,0,0,0,0|2,0,0]=4 3200 B10R0.35 COCN(C)C(C)C(=O)OC 269982a_100000725243_100000766300 [0,2,0,0,0,0|2,0,0]=4 3201 B10R0.36 CCCN(C)C(C)(C)C(=O)C 269982a_100000747261_100000075568 [0,2,0,0,0,0|2,0,0]=4 3202 B10R0.36 CCCN(C)C(C)(C)C(=O)N 2230a_100000747261_100000702505 [0,2,0,0,0,0|2,0,0]=4 3203 B10R0.36 CCCN(C)C(C)(C)C(=O)N 269982a_100000747261_100000702505 [0,2,0,0,0,0|2,0,0]=4 3204 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 3205 B10R0.56 CCC(C)C(=O)C(C)C(=O)C 1458a_100011192722_100000179758 [0,2,0,0,0,0|1,0,1]=4 3206 B10R0.56 CCC(C)C(=O)C(C)C(=O)N 1458a_100011192722_100000702099 [0,2,0,0,0,0|1,0,1]=4 3207 B10R0.56 CCC(C)N(C)C(C)C(=O)C 2230a_100000741768_100009814033 [0,2,0,0,0,0|2,0,0]=4 3208 B10R0.56 CCC(C)N(C)C(C)C(=O)C 269982a_100000741768_100009814033 [0,2,0,0,0,0|2,0,0]=4 3209 B10R0.56 CCC(C)N(C)C(C)C(=O)N 2230a_100000741768_100000702099 [0,2,0,0,0,0|2,0,0]=4 3210 B10R0.56 CCC(C)N(C)C(C)C(=O)N 269982a_100000741768_100000184083 [0,2,0,0,0,0|2,0,0]=4 3211 B10R0.56 CCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000758301 [0,2,0,0,0,0|1,0,0]=3 3212 B10R0.56 CCC(O)C(=O)C(C)C(=O)C 1458a_100011196387_100000179758 [0,2,0,0,0,0|1,0,1]=4 3213 B10R0.56 CCC(O)C(=O)C(C)C(=O)N 1458a_100011196387_100000702099 [0,2,0,0,0,0|1,0,1]=4 3214 B10R0.56 COC(C)N(C)C(C)C(=O)O 269956a_100000749554_100009879195 [0,2,0,0,0,0|2,0,0]=4 3215 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [0,2,0,0,0,0|1,0,1]=4 3216 B10R0.101 CCCN(C)C(CC)C(=O)N 2230a_100000747261_100000750255 [0,2,0,0,0,0|2,0,0]=4 3217 B10R0.101 CCCN(C)C(CC)C(=O)N 269982a_100000747261_100000750255 [0,2,0,0,0,0|2,0,0]=4 3218 B10R0.101 CCCN(C)[C@@H](CC)C(=O)N 2230a_103436537554_100000210303 [0,2,0,0,0,0|2,0,0]=4 3219 B10R0.101 CCCN(C)[C@@H](CC)C(=O)N 269982a_103436537554_100000210303 [0,2,0,0,0,0|2,0,0]=4 3220 B10R0.101 CCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210207 [0,2,0,0,0,0|1,0,0]=3 3221 B10R0.101 CCC[C@@H](N)C(OC)C(=O)N 34a_200132311066_200000210301 [0,2,0,0,0,0|1,0,0]=3 3222 B10R0.101 CCC[C@@H](N)C(O[13CH3])C(=O)N 34a_200132311066_200025704644 [0,2,0,0,0,0|1,0,0]=3 3223 B10R0.101 CN(CCF)[C@@H](CO)C(=O)O 269956a_100015362447_100011217306 [0,2,0,0,0,0|2,0,0]=4 3224 B10R0.101 CN(CCO)[C@@H](CO)C(=O)O 269956a_100015362447_100000211926 [0,2,0,0,0,0|2,0,0]=4 3225 B10R0.101 COCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000766300 [0,2,0,0,0,0|2,0,0]=4 3226 B10R0.101 CSCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100011218213 [0,2,0,0,0,0|2,0,0]=4 3227 B10R0.43 CC(=O)C(C)(C)CCC(C)C 1458a_100000070787_200000037585 [0,2,0,0,0,0|1,0,0]=3 3228 B10R0.43 CC(=O)C(C)(C)OCC(C)C 34a_100000747739_100000210624 [0,2,0,0,0,0|2,0,0]=4 3229 B10R0.43 CC(=O)C(C)(C)OCC(C)C 7a_100000747739_100000210760 [0,2,0,0,0,0|2,0,0]=4 3230 B10R0.43 CC(=O)C(C)(C)OCC(C)O 34a_100000747739_100011218427 [0,2,0,0,0,0|2,0,0]=4 3231 B10R0.43 CC(=O)C(C)(C)OCC(C)O 7a_100000747739_100011218427 [0,2,0,0,0,0|2,0,0]=4 3232 B10R0.43 CC(=O)C(C)(C)OC[C@@H](C)O 34a_100000747739_100009817552 [0,2,0,0,0,0|2,0,0]=4 3233 B10R0.43 CC(=O)C(C)(C)OC[C@@H](C)O 7a_100000747739_100009817552 [0,2,0,0,0,0|2,0,0]=4 3234 B10R0.43 CC(=O)C(C)(C)SCC(C)C 62a_100000075568_100000210760 [0,2,0,0,0,0|2,0,0]=4 3235 B10R0.43 CC(=O)C(C)(C)SCC(C)C 62a_100000210624_100000075568 [0,2,0,0,0,0|2,0,0]=4 3236 B10R0.43 CC(=O)C(C)(C)SCC(C)O 62a_100000075568_100011218427 [0,2,0,0,0,0|2,0,0]=4 3237 B10R0.43 CC(=O)C(C)(C)SCC(C)O 62a_100011218427_100000075568 [0,2,0,0,0,0|2,0,0]=4 3238 B10R0.43 CC(=O)C(C)(C)SC[C@@H](C)O 62a_100000075568_100009817552 [0,2,0,0,0,0|2,0,0]=4 3239 B10R0.43 CC(=O)C(C)(C)SC[C@@H](C)O 62a_100009817552_100000075568 [0,2,0,0,0,0|2,0,0]=4 3240 B10R0.43 CC(Br)COC(C)(C)C(=O)N 34a_100012180447_100000702505 [0,2,0,0,0,0|2,0,0]=4 3241 B10R0.43 CC(C)CNC(C)(C)C(=O)N 2230a_100000210953_100000702505 [0,2,0,0,0,0|2,0,0]=4 3242 B10R0.43 CC(C)CNC(C)(C)C(=O)N 2230a_100000743658_100000210760 [0,2,0,0,0,0|2,0,0]=4 3243 B10R0.43 CC(C)CNC(C)(C)C(=O)N 34a_100000210953_100000702505 [0,2,0,0,0,0|2,0,0]=4 3244 B10R0.43 CC(C)CNC(C)(C)C(=O)N 34a_100000743658_100000210624 [0,2,0,0,0,0|2,0,0]=4 3245 B10R0.43 CC(C)COC(C)(C)C(=O)N 34a_100000210257_100000702505 [0,2,0,0,0,0|2,0,0]=4 3246 B10R0.43 CC(C)COC(C)(C)C(=O)N 34a_100011626353_100000210624 [0,2,0,0,0,0|2,0,0]=4 3247 B10R0.43 CC(C)COC(C)(C)C(=O)N 7a_100011626353_100000210760 [0,2,0,0,0,0|2,0,0]=4 3248 B10R0.43 CC(C)CSC(C)(C)C(=O)N 62a_100000210624_100000702505 [0,2,0,0,0,0|2,0,0]=4 3249 B10R0.43 CC(C)CSC(C)(C)C(=O)N 62a_100000702505_100000210760 [0,2,0,0,0,0|2,0,0]=4 3250 B10R0.43 CC(C)NCC(C)(C)C(=O)N 2230a_100000740840_100000210206 [0,2,0,0,0,0|2,0,0]=4 3251 B10R0.43 CC(C)NCC(C)(C)C(=O)N 34a_100000740840_100000210206 [0,2,0,0,0,0|2,0,0]=4 3252 B10R0.43 CC(C)NCC(C)(C)C(=O)N 34a_100138425928_200009895572 [0,2,0,0,0,0|2,0,0]=4 3253 B10R0.43 CC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000210206 [0,2,0,0,0,0|1,0,0]=3 3254 B10R0.43 CC(C)NCC(F)(F)C(=O)O 269956a_100000734215_100000210206 [0,2,0,0,0,0|2,0,0]=4 3255 B10R0.43 CC(C)NOC(C)(C)C(=O)O 269956a_100016989451_100000210206 [0,2,0,0,0,0|2,0,0]=4 3256 B10R0.43 CC(C)OCC(C)(C)C(=O)N 34a_100000212225_200009895572 [0,2,0,0,0,0|2,0,0]=4 3257 B10R0.43 CC(C)SCC(C)(C)C(=O)N 62a_100000210206_200009895572 [0,2,0,0,0,0|2,0,0]=4 3258 B10R0.43 CC(C)SCC(C)(C)C(=O)N 62a_200009895572_100000210206 [0,2,0,0,0,0|2,0,0]=4 3259 B10R0.43 CC(F)COC(C)(C)C(=O)N 34a_100015925927_100000702505 [0,2,0,0,0,0|2,0,0]=4 3260 B10R0.43 CC(O)CNC(C)(C)C(=O)N 2230a_100000210904_100000702505 [0,2,0,0,0,0|2,0,0]=4 3261 B10R0.43 CC(O)CNC(C)(C)C(=O)N 2230a_100000743658_100011218427 [0,2,0,0,0,0|2,0,0]=4 3262 B10R0.43 CC(O)CNC(C)(C)C(=O)N 34a_100000210904_100000702505 [0,2,0,0,0,0|2,0,0]=4 3263 B10R0.43 CC(O)CNC(C)(C)C(=O)N 34a_100000743658_100011218427 [0,2,0,0,0,0|2,0,0]=4 3264 B10R0.43 CC(O)COC(C)(C)C(=O)N 34a_100011626353_100011218427 [0,2,0,0,0,0|2,0,0]=4 3265 B10R0.43 CC(O)COC(C)(C)C(=O)N 7a_100011626353_100011218427 [0,2,0,0,0,0|2,0,0]=4 3266 B10R0.43 CC(O)CSC(C)(C)C(=O)N 62a_100000702505_100011218427 [0,2,0,0,0,0|2,0,0]=4 3267 B10R0.43 CC(O)CSC(C)(C)C(=O)N 62a_100011218427_100000702505 [0,2,0,0,0,0|2,0,0]=4 3268 B10R0.43 C[C@@H](Cl)COC(C)(C)C(=O)N 34a_100016084084_100000702505 [0,2,0,0,0,0|2,0,0]=4 3269 B10R0.43 C[C@@H](N)COC(C)(C)C(=O)N 34a_100000737577_100000702505 [0,2,0,0,0,0|2,0,0]=4 3270 B10R0.43 C[C@@H](O)CNC(C)(C)C(=O)N 2230a_100000743658_100009817552 [0,2,0,0,0,0|2,0,0]=4 3271 B10R0.43 C[C@@H](O)CNC(C)(C)C(=O)N 34a_100000743658_100009817552 [0,2,0,0,0,0|2,0,0]=4 3272 B10R0.43 C[C@@H](O)COC(C)(C)C(=O)N 34a_100011626353_100009817552 [0,2,0,0,0,0|2,0,0]=4 3273 B10R0.43 C[C@@H](O)COC(C)(C)C(=O)N 7a_100011626353_100009817552 [0,2,0,0,0,0|2,0,0]=4 3274 B10R0.43 C[C@@H](O)CSC(C)(C)C(=O)N 62a_100000702505_100009817552 [0,2,0,0,0,0|2,0,0]=4 3275 B10R0.43 C[C@@H](O)CSC(C)(C)C(=O)N 62a_100009817552_100000702505 [0,2,0,0,0,0|2,0,0]=4 3276 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,2,0,0,0,0|1,0,0]=3 3277 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100000210245_100000211248 [0,2,0,0,0,0|1,0,1]=4 3278 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100011215400_100000748629 [0,2,0,0,0,0|1,0,1]=4 3279 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000211248_100000211660 [0,2,0,0,0,0|1,0,1]=4 3280 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000748629_100000211248 [0,2,0,0,0,0|1,0,1]=4 3281 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,2,0,0,0,0|1,0,0]=3 3282 B10R0.57 C=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000185746 [0,2,0,0,0,0|2,0,0]=4 3283 B10R0.57 C=CC(=O)N(C)CCC(C)C 240690a_100000742789_200121576911 [0,2,0,0,0,0|2,0,0]=4 3284 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,0,0,0,0|0,0,0]=2 3285 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,2,0,0,0,0|1,0,0]=3 3286 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,2,0,0,0,0|1,0,0]=3 3287 B10R0.57 CC(C)COC(C)C(=O)NN 34a_100000725659_100000210624 [0,2,0,0,0,0|2,0,0]=4 3288 B10R0.57 CC(O)COC(C)C(=O)NN 34a_100000725659_100011218427 [0,2,0,0,0,0|2,0,0]=4 3289 B10R0.57 CC(OC[C@@H](C)O)C(=O)NN 34a_100000725659_100009817552 [0,2,0,0,0,0|2,0,0]=4 3290 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|1,0,0]=3 3291 B10R0.57 CCC(=O)C(C)NCC(C)C 2230a_100000210953_100000742827 [0,2,0,0,0,0|2,0,0]=4 3292 B10R0.57 CCC(=O)C(C)NCC(C)O 2230a_100000210904_100000742827 [0,2,0,0,0,0|2,0,0]=4 3293 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000210624_100000742827 [0,2,0,0,0,0|2,0,0]=4 3294 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000742827_100000210760 [0,2,0,0,0,0|2,0,0]=4 3295 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100000742827_100011218427 [0,2,0,0,0,0|2,0,0]=4 3296 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100011218427_100000742827 [0,2,0,0,0,0|2,0,0]=4 3297 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100000742827_100009817552 [0,2,0,0,0,0|2,0,0]=4 3298 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000742827 [0,2,0,0,0,0|2,0,0]=4 3299 B10R0.57 CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 3300 B10R0.57 CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 3301 B10R0.57 CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 3302 B10R0.57 CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 3303 B10R0.57 CN(C)CCN(C)C(=O)CO 240690a_100000225618_100000210174 [0,2,0,0,0,0|2,0,0]=4 3304 B10R0.57 CN(C)CCN(C)C(=O)CO 527a_100000225618_100000210174 [0,2,0,0,0,0|2,0,0]=4 3305 B10R0.57 CNC(=O)C(C)CNC(C)C 2230a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 3306 B10R0.57 CNC(=O)C(C)CNC(C)C 34a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 3307 B10R0.57 CNC(=O)C(C)NCC(C)C 2230a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 3308 B10R0.57 CNC(=O)C(C)NCC(C)C 34a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 3309 B10R0.57 CNC(=O)C(C)NCC(C)O 2230a_100000210904_100000731044 [0,2,0,0,0,0|2,0,0]=4 3310 B10R0.57 CNC(=O)C(C)NCC(C)O 34a_100000210904_100000731044 [0,2,0,0,0,0|2,0,0]=4 3311 B10R0.57 CNC(=O)C(C)OCC(C)Br 34a_100012180447_100000731044 [0,2,0,0,0,0|2,0,0]=4 3312 B10R0.57 CNC(=O)C(C)OCC(C)C 34a_100000210257_100000731044 [0,2,0,0,0,0|2,0,0]=4 3313 B10R0.57 CNC(=O)C(C)OCC(C)F 34a_100015925927_100000731044 [0,2,0,0,0,0|2,0,0]=4 3314 B10R0.57 CNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000731044 [0,2,0,0,0,0|2,0,0]=4 3315 B10R0.57 CNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000731044 [0,2,0,0,0,0|2,0,0]=4 3316 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000209862_100000210760 [0,2,0,0,0,0|2,0,0]=4 3317 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000210624_100000731044 [0,2,0,0,0,0|2,0,0]=4 3318 B10R0.57 CNC(=O)C(C)SCC(C)O 62a_100000209862_100011218427 [0,2,0,0,0,0|2,0,0]=4 3319 B10R0.57 CNC(=O)C(C)SCC(C)O 62a_100011218427_100000731044 [0,2,0,0,0,0|2,0,0]=4 3320 B10R0.57 CNC(=O)C(C)SC[C@@H](C)O 62a_100000209862_100009817552 [0,2,0,0,0,0|2,0,0]=4 3321 B10R0.57 CNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000731044 [0,2,0,0,0,0|2,0,0]=4 3322 B10R0.57 CNC(=O)N(C)CCC(C)C 2708a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 3323 B10R0.57 CNC(=O)N(C)CCC(C)C 273464a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 3324 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 2230a_100000684985_100000210760 [0,2,0,0,0,0|2,0,0]=4 3325 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 34a_100000684985_100000210624 [0,2,0,0,0,0|2,0,0]=4 3326 B10R0.57 CNC(=O)[C@@H](C)NCC(C)O 2230a_100000684985_100011218427 [0,2,0,0,0,0|2,0,0]=4 3327 B10R0.57 CNC(=O)[C@@H](C)NCC(C)O 34a_100000684985_100011218427 [0,2,0,0,0,0|2,0,0]=4 3328 B10R0.57 CNC(=O)[C@@H](C)NC[C@@H](C)O 2230a_100000684985_100009817552 [0,2,0,0,0,0|2,0,0]=4 3329 B10R0.57 CNC(=O)[C@@H](C)NC[C@@H](C)O 34a_100000684985_100009817552 [0,2,0,0,0,0|2,0,0]=4 3330 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,2,0,0,0,0|0,0,1]=3 3331 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,2,0,0,0,0|1,0,0]=3 3332 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,2,0,0,0,0|1,0,0]=3 3333 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,2,0,0,0,0|1,0,0]=3 3334 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,2,0,0,0,0|1,0,0]=3 3335 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,2,0,0,0,0|1,0,0]=3 3336 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,2,0,0,0,0|1,0,0]=3 3337 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,2,0,0,0,0|1,0,0]=3 3338 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,2,0,0,0,0|1,0,0]=3 3339 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,2,0,0,0,0|1,0,0]=3 3340 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,2,0,0,0,0|1,0,0]=3 3341 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,2,0,0,0,0|1,0,0]=3 3342 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,2,0,0,0,0|1,0,0]=3 3343 B10R0.57 COC(=O)C(C)NCC(F)F 34a_100000765723_100000211248 [0,2,0,0,0,0|2,0,0]=4 3344 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,2,0,0,0,0|1,0,1]=4 3345 B10R0.57 COC(=O)C(C)OCC(C)Br 34a_100012180447_100000211248 [0,2,0,0,0,0|1,0,0]=3 3346 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,2,0,0,0,0|1,0,0]=3 3347 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,2,0,0,0,0|1,0,0]=3 3348 B10R0.57 COC(=O)C(C)OCC(C)F 34a_100015925927_100000211248 [0,2,0,0,0,0|1,0,0]=3 3349 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,2,0,0,0,0|1,0,0]=3 3350 B10R0.57 COC(=O)C(C)OCC(F)F 34a_100000743014_100000211248 [0,2,0,0,0,0|2,0,0]=4 3351 B10R0.57 COC(=O)C(C)OCC(F)F 34a_100011215400_100011934356 [0,2,0,0,0,0|2,0,0]=4 3352 B10R0.57 COC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000211248 [0,2,0,0,0,0|1,0,0]=3 3353 B10R0.57 COC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000211248 [0,2,0,0,0,0|1,0,0]=3 3354 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,2,0,0,0,0|1,0,0]=3 3355 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,2,0,0,0,0|1,0,0]=3 3356 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,2,0,0,0,0|1,0,0]=3 3357 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,2,0,0,0,0|1,0,0]=3 3358 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,2,0,0,0,0|1,0,0]=3 3359 B10R0.57 COC(=O)C(C)SCC(F)F 62a_100000211248_100011934356 [0,2,0,0,0,0|2,0,0]=4 3360 B10R0.57 COC(=O)C(C)SCC(F)F 62a_100011934356_100000211248 [0,2,0,0,0,0|2,0,0]=4 3361 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,2,0,0,0,0|1,0,0]=3 3362 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,2,0,0,0,0|1,0,0]=3 3363 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,2,0,0,0,0|2,0,0]=4 3364 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,2,0,0,0,0|2,0,0]=4 3365 B10R0.82 C#CC(C)NCC(C)C(=O)O 269956a_100000749485_200000035995 [0,2,0,0,0,0|1,0,0]=3 3366 B10R0.82 C#CC(C)NCC(F)C(=O)O 269956a_100000084737_200000035995 [0,2,0,0,0,0|2,0,0]=4 3367 B10R0.82 C#CC(C)OCC(C)C(=O)C 34a_100000032740_200000035995 [0,2,0,0,0,0|2,0,0]=4 3368 B10R0.82 C=C(C)C(C)NCC(C)CC 269862a_100020588543_100011216138 [0,2,0,0,0,0|2,0,0]=4 3369 B10R0.82 C=C(C)C(C)NCC(O)CC 269862a_100011218483_100011216138 [0,2,0,0,0,0|2,0,0]=4 3370 B10R0.82 C=CC(C)COC(C)C(=O)C 7a_100011215527_100000179758 [0,2,0,0,0,0|2,0,0]=4 3371 B10R0.82 C=CC(C)COC(C)C(=O)N 34a_100011215527_100000702099 [0,2,0,0,0,0|2,0,0]=4 3372 B10R0.82 C=CC(C)COC(C)C(=O)N 7a_100011215527_100000702099 [0,2,0,0,0,0|2,0,0]=4 3373 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,2,0,0,0,0|1,0,0]=3 3374 B10R0.82 C=CC(C)NCC(F)C(=O)O 269956a_100000084737_100011215867 [0,2,0,0,0,0|2,0,0]=4 3375 B10R0.82 C=CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000730141 [0,2,0,0,0,0|0,0,2]=4 3376 B10R0.82 CC(=O)C(C)COC(C)C#N 7a_100000032740_100000703298 [0,2,0,0,0,0|2,0,0]=4 3377 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 3378 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 3379 B10R0.82 CC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100009814033 [0,2,0,0,0,0|2,0,0]=4 3380 B10R0.82 CC(=O)C(C)OCC(O)CO 34a_100000212229_100011219619 [0,2,0,0,0,0|2,0,0]=4 3381 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,2,0,0,0,0|2,0,0]=4 3382 B10R0.82 CC(=O)C(C)OC[C@@H](O)CF 34a_100000212229_100015614560 [0,2,0,0,0,0|2,0,0]=4 3383 B10R0.82 CC(=O)C(C)OC[C@@H](O)CO 34a_100000212229_100009815848 [0,2,0,0,0,0|2,0,0]=4 3384 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100009814033_100011219619 [0,2,0,0,0,0|2,0,0]=4 3385 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100011219619_100009814033 [0,2,0,0,0,0|2,0,0]=4 3386 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,2,0,0,0,0|2,0,0]=4 3387 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,2,0,0,0,0|2,0,0]=4 3388 B10R0.82 CC(=O)C(C)SC[C@@H](O)CF 62a_100009814033_100015614560 [0,2,0,0,0,0|2,0,0]=4 3389 B10R0.82 CC(=O)C(C)SC[C@@H](O)CF 62a_100015614560_100009814033 [0,2,0,0,0,0|2,0,0]=4 3390 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009814033_100009815848 [0,2,0,0,0,0|2,0,0]=4 3391 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100009814033 [0,2,0,0,0,0|2,0,0]=4 3392 B10R0.82 CC(C#N)NCC(C)C(=O)O 269956a_100000749485_100000184139 [0,2,0,0,0,0|1,0,0]=3 3393 B10R0.82 CC(C#N)NCC(F)C(=O)O 269956a_100000084737_100000184139 [0,2,0,0,0,0|2,0,0]=4 3394 B10R0.82 CC(CN)COC(C)C(=O)N 34a_100000744482_100000702099 [0,2,0,0,0,0|2,0,0]=4 3395 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,2,0,0,0,0|1,0,0]=3 3396 B10R0.82 CC(CO)CNC(C)C(=O)N 34a_100000744482_100000702099 [0,2,0,0,0,0|2,0,0]=4 3397 B10R0.82 CC(NC[C@@H](F)CO)C(=O)N 34a_100015665980_100000702099 [0,2,0,0,0,0|2,0,0]=4 3398 B10R0.82 CC(NC[C@H](O)CO)C(=O)N 2230a_100020644852_100000702099 [0,2,0,0,0,0|2,0,0]=4 3399 B10R0.82 CC(OCC(Cl)CCl)C(=O)N 34a_100000033668_100000702099 [0,2,0,0,0,0|2,0,0]=4 3400 B10R0.82 CC(OC[C@H](F)CN)C(=O)N 34a_100015665980_100000702099 [0,2,0,0,0,0|2,0,0]=4 3401 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100000702099_100011219619 [0,2,0,0,0,0|2,0,0]=4 3402 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100011219619_100000702099 [0,2,0,0,0,0|2,0,0]=4 3403 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000702099 [0,2,0,0,0,0|2,0,0]=4 3404 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000702099_100000059175 [0,2,0,0,0,0|2,0,0]=4 3405 B10R0.82 CC(SC[C@@H](O)CF)C(=O)N 62a_100000702099_100015614560 [0,2,0,0,0,0|2,0,0]=4 3406 B10R0.82 CC(SC[C@@H](O)CF)C(=O)N 62a_100015614560_100000702099 [0,2,0,0,0,0|2,0,0]=4 3407 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100000702099_100009815848 [0,2,0,0,0,0|2,0,0]=4 3408 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100009815848_100000702099 [0,2,0,0,0,0|2,0,0]=4 3409 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,2,0,0,0,0|2,0,0]=4 3410 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,2,0,0,0,0|0,0,1]=3 3411 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [0,2,0,0,0,0|1,0,1]=4 3412 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [0,2,0,0,0,0|0,0,2]=4 3413 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [0,2,0,0,0,0|1,0,1]=4 3414 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,2,0,0,0,0|1,0,1]=4 3415 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,2,0,0,0,0|1,0,1]=4 3416 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [0,2,0,0,0,0|1,0,1]=4 3417 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [0,2,0,0,0,0|1,0,1]=4 3418 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,2,0,0,0,0|1,0,0]=3 3419 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,2,0,0,0,0|1,0,0]=3 3420 B10R0.82 CCC(C)CNC(F)C(=O)N 2230a_100020588543_100009813875 [0,2,0,0,0,0|2,0,0]=4 3421 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,2,0,0,0,0|0,0,0]=2 3422 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,2,0,0,0,0|1,0,0]=3 3423 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,2,0,0,0,0|1,0,0]=3 3424 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,2,0,0,0,0|1,0,0]=3 3425 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,2,0,0,0,0|1,0,0]=3 3426 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,2,0,0,0,0|0,0,1]=3 3427 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,2,0,0,0,0|1,0,0]=3 3428 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,2,0,0,0,0|1,0,0]=3 3429 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,2,0,0,0,0|1,0,0]=3 3430 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,2,0,0,0,0|1,0,0]=3 3431 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,2,0,0,0,0|1,0,0]=3 3432 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,2,0,0,0,0|1,0,0]=3 3433 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,2,0,0,0,0|2,0,0]=4 3434 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,2,0,0,0,0|2,0,0]=4 3435 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,2,0,0,0,0|1,0,1]=4 3436 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,2,0,0,0,0|1,0,1]=4 3437 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,2,0,0,0,0|0,0,0]=2 3438 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,2,0,0,0,0|1,0,0]=3 3439 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,2,0,0,0,0|1,0,0]=3 3440 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,2,0,0,0,0|1,0,0]=3 3441 B10R0.82 CCC(C)OCC(C)[N+](=O)[O-] 34a_100000039676_100011215416 [0,2,0,0,0,0|1,0,1]=4 3442 B10R0.82 CCC(C)OCC(C)[N+](=O)[O-] 7a_100000039676_100000758301 [0,2,0,0,0,0|1,0,1]=4 3443 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,2,0,0,0,0|2,0,0]=4 3444 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,2,0,0,0,0|1,0,0]=3 3445 B10R0.82 CCC(O)CNC(C)C(=O)N 2230a_100011218483_100000702099 [0,2,0,0,0,0|1,0,0]=3 3446 B10R0.82 CCC(O)CNC(F)C(=O)N 2230a_100011218483_100009813875 [0,2,0,0,0,0|2,0,0]=4 3447 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,2,0,0,0,0|0,0,0]=2 3448 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218378 [0,2,0,0,0,0|1,0,0]=3 3449 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218378 [0,2,0,0,0,0|1,0,0]=3 3450 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,2,0,0,0,0|1,0,0]=3 3451 B10R0.82 CCC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218378 [0,2,0,0,0,0|0,0,1]=3 3452 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218378 [0,2,0,0,0,0|1,0,0]=3 3453 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218378 [0,2,0,0,0,0|1,0,0]=3 3454 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,2,0,0,0,0|1,0,0]=3 3455 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,2,0,0,0,0|1,0,0]=3 3456 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100000702099_100011218378 [0,2,0,0,0,0|1,0,0]=3 3457 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100011218378_100000702099 [0,2,0,0,0,0|1,0,0]=3 3458 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100009813875_100011218378 [0,2,0,0,0,0|2,0,0]=4 3459 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100011218378_100009813875 [0,2,0,0,0,0|2,0,0]=4 3460 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100011218378_100020610796 [0,2,0,0,0,0|1,0,1]=4 3461 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218378 [0,2,0,0,0,0|1,0,1]=4 3462 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,2,0,0,0,0|0,0,0]=2 3463 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,2,0,0,0,0|1,0,0]=3 3464 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,2,0,0,0,0|1,0,0]=3 3465 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,2,0,0,0,0|1,0,0]=3 3466 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,2,0,0,0,0|1,0,0]=3 3467 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,2,0,0,0,0|1,0,0]=3 3468 B10R0.82 CC[C@H](C)COC(F)C(=O)N 7a_100009816381_100009813875 [0,2,0,0,0,0|2,0,0]=4 3469 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,2,0,0,0,0|0,0,1]=3 3470 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,2,0,0,0,0|1,0,0]=3 3471 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,2,0,0,0,0|1,0,0]=3 3472 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,2,0,0,0,0|1,0,0]=3 3473 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,2,0,0,0,0|1,0,0]=3 3474 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,2,0,0,0,0|1,0,0]=3 3475 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,2,0,0,0,0|1,0,0]=3 3476 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,2,0,0,0,0|2,0,0]=4 3477 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,2,0,0,0,0|2,0,0]=4 3478 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,2,0,0,0,0|1,0,1]=4 3479 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,2,0,0,0,0|1,0,1]=4 3480 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,2,0,0,0,0|1,0,1]=4 3481 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,2,0,0,0,0|1,0,1]=4 3482 B10R0.82 COC(C)COC(C)C(=O)N 34a_100000690652_100000702099 [0,2,0,0,0,0|2,0,0]=4 3483 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,2,0,0,0,0|1,0,0]=3 3484 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,2,0,0,0,0|2,0,0]=4 3485 B10R0.82 CO[C@H](C)CNC(C)C(=O)C 2230a_100020591295_100009814033 [0,2,0,0,0,0|2,0,0]=4 3486 B10R0.82 CO[C@H](C)CNC(C)C(=O)N 2230a_100020591295_100000702099 [0,2,0,0,0,0|2,0,0]=4 3487 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 3488 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 3489 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 3490 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 3491 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 3492 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 3493 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 2230a_100000119354_100011219619 [0,2,0,0,0,0|2,0,0]=4 3494 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 34a_100000119354_100011219619 [0,2,0,0,0,0|2,0,0]=4 3495 B10R0.82 C[C@@H](NC[C@@H](O)CF)C(=O)N 2230a_100000119354_100015614560 [0,2,0,0,0,0|2,0,0]=4 3496 B10R0.82 C[C@@H](NC[C@@H](O)CF)C(=O)N 34a_100000119354_100015614560 [0,2,0,0,0,0|2,0,0]=4 3497 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 3498 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 3499 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 34a_100000731257_100011219619 [0,2,0,0,0,0|2,0,0]=4 3500 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 7a_100000731257_100011219619 [0,2,0,0,0,0|2,0,0]=4 3501 B10R0.82 C[C@@H](OC[C@@H](O)CF)C(=O)N 34a_100000731257_100015614560 [0,2,0,0,0,0|2,0,0]=4 3502 B10R0.82 C[C@@H](OC[C@@H](O)CF)C(=O)N 7a_100000731257_100015614560 [0,2,0,0,0,0|2,0,0]=4 3503 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 3504 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 3505 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,2,0,0,0,0|2,0,0]=4 3506 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,2,0,0,0,0|1,0,0]=3 3507 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,2,0,0,0,0|1,0,0]=3 3508 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 3509 B10R0.82 C[C@H](OCC(O)CO)C(=O)[O-] 7a_217856618621_100011219619 [0,2,0,0,0,0|1,0,1]=4 3510 B10R0.82 C[C@H](OC[C@@H](O)CF)C(=O)[O-] 7a_217856618621_100015614560 [0,2,0,0,0,0|1,0,1]=4 3511 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 3512 B10R0.84 C=C(C)CNC(CO)C(=O)O 269956a_100000187304_100000748629 [0,2,0,0,0,0|1,0,1]=4 3513 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,2,0,0,0,0|1,0,1]=4 3514 B10R0.84 C=C[C@H](NCC(C)C)C(=O)O 269956a_100016992060_100000210760 [0,2,0,0,0,0|1,0,1]=4 3515 B10R0.84 C=C[C@H](NCC(C)O)C(=O)O 269956a_100016992060_100011218427 [0,2,0,0,0,0|1,0,1]=4 3516 B10R0.84 C=C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100016992060_100009817552 [0,2,0,0,0,0|1,0,1]=4 3517 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,2,0,0,0,0|0,0,2]=4 3518 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,2,0,0,0,0|1,0,0]=3 3519 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000210760 [0,2,0,0,0,0|2,0,0]=4 3520 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_100000210432 [0,2,0,0,0,0|2,0,0]=4 3521 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000210624 [0,2,0,0,0,0|2,0,0]=4 3522 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,2,0,0,0,0|1,0,0]=3 3523 B10R0.84 CC(O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100011218427 [0,2,0,0,0,0|2,0,0]=4 3524 B10R0.84 CC(O)CN[C@@H](CO)C(=O)N 34a_100000729942_100011218427 [0,2,0,0,0,0|2,0,0]=4 3525 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000210953_100000750255 [0,2,0,0,0,0|2,0,0]=4 3526 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000733705_100000210760 [0,2,0,0,0,0|2,0,0]=4 3527 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000210953_100000750255 [0,2,0,0,0,0|2,0,0]=4 3528 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000733705_100000210624 [0,2,0,0,0,0|2,0,0]=4 3529 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000210904_100000750255 [0,2,0,0,0,0|2,0,0]=4 3530 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000733705_100011218427 [0,2,0,0,0,0|2,0,0]=4 3531 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000210904_100000750255 [0,2,0,0,0,0|2,0,0]=4 3532 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000733705_100011218427 [0,2,0,0,0,0|2,0,0]=4 3533 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 2230a_100000733705_100009817552 [0,2,0,0,0,0|2,0,0]=4 3534 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 34a_100000733705_100009817552 [0,2,0,0,0,0|2,0,0]=4 3535 B10R0.84 CCC(OCC(C)Br)C(=O)N 34a_100012180447_100000750255 [0,2,0,0,0,0|2,0,0]=4 3536 B10R0.84 CCC(OCC(C)C)C(=O)N 34a_100000210257_100000750255 [0,2,0,0,0,0|2,0,0]=4 3537 B10R0.84 CCC(OCC(C)F)C(=O)N 34a_100015925927_100000750255 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.84 CCC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000750255 [0,2,0,0,0,0|2,0,0]=4 3539 B10R0.84 CCC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000750255 [0,2,0,0,0,0|2,0,0]=4 3540 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000210624_100000750255 [0,2,0,0,0,0|2,0,0]=4 3541 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000750255_100000210760 [0,2,0,0,0,0|2,0,0]=4 3542 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100000750255_100011218427 [0,2,0,0,0,0|2,0,0]=4 3543 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100011218427_100000750255 [0,2,0,0,0,0|2,0,0]=4 3544 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100000750255_100009817552 [0,2,0,0,0,0|2,0,0]=4 3545 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000750255 [0,2,0,0,0,0|2,0,0]=4 3546 B10R0.84 CCN(CCC(C)C)C(=O)C 11a_100000207693_100015343762 [0,2,0,0,0,0|2,0,0]=4 3547 B10R0.84 CCN(CCC(C)C)C(=O)C 1626a_100000207693_100015343762 [0,2,0,0,0,0|2,0,0]=4 3548 B10R0.84 CCN(CCC(C)C)C(=O)C 240690a_100000207693_100015343762 [0,2,0,0,0,0|2,0,0]=4 3549 B10R0.84 CCN(CCC(C)C)C(=O)C 527a_100000207693_100103153847 [0,2,0,0,0,0|2,0,0]=4 3550 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,2,0,0,0,0|1,0,0]=3 3551 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,2,0,0,0,0|1,0,0]=3 3552 B10R0.84 CC[C@@H](NCC(F)F)C(=O)O 269956a_100000747097_100011934356 [0,2,0,0,0,0|2,0,0]=4 3553 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,2,0,0,0,0|1,0,0]=3 3554 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,2,0,0,0,0|0,0,2]=4 3555 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,2,0,0,0,0|1,0,0]=3 3556 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,2,0,0,0,0|1,0,0]=3 3557 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,2,0,0,0,0|1,0,0]=3 3558 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,2,0,0,0,0|1,0,0]=3 3559 B10R0.84 C[C@@H](O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100009817552 [0,2,0,0,0,0|2,0,0]=4 3560 B10R0.84 C[C@@H](O)CN[C@@H](CO)C(=O)N 34a_100000729942_100009817552 [0,2,0,0,0,0|2,0,0]=4 3561 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,2,0,0,0,0|1,0,0]=3 3562 B10R0.84 O=C(O)C(CO)NCC(F)F 269956a_100000187304_100011934356 [0,2,0,0,0,0|2,0,0]=4 3563 B10R0.92 CC(=O)C(C)COC(C)(C)C 34a_100000032740_100000210625 [0,2,0,0,0,0|2,0,0]=4 3564 B10R0.92 CC(=O)C(C)NCC(C)(C)C 2230a_100000743828_100009814033 [0,2,0,0,0,0|2,0,0]=4 3565 B10R0.92 CC(=O)C(C)NCC(C)(C)F 2230a_100020643315_100009814033 [0,2,0,0,0,0|2,0,0]=4 3566 B10R0.92 CC(=O)C(C)NCC(C)(C)O 2230a_100000751335_100009814033 [0,2,0,0,0,0|2,0,0]=4 3567 B10R0.92 CC(=O)C(C)OCC(C)(C)C 34a_100000212229_100011219605 [0,2,0,0,0,0|2,0,0]=4 3568 B10R0.92 CC(=O)C(C)OCC(C)(C)F 34a_100000212229_100011997219 [0,2,0,0,0,0|2,0,0]=4 3569 B10R0.92 CC(=O)C(C)OCC(C)(C)O 34a_100000212229_100000764493 [0,2,0,0,0,0|2,0,0]=4 3570 B10R0.92 CC(=O)C(C)SCC(C)(C)C 62a_100009814033_100011219605 [0,2,0,0,0,0|2,0,0]=4 3571 B10R0.92 CC(=O)C(C)SCC(C)(C)C 62a_100011219605_100009814033 [0,2,0,0,0,0|2,0,0]=4 3572 B10R0.92 CC(=O)C(C)SCC(C)(C)F 62a_100009814033_100011997219 [0,2,0,0,0,0|2,0,0]=4 3573 B10R0.92 CC(=O)C(C)SCC(C)(C)F 62a_100011997219_100009814033 [0,2,0,0,0,0|2,0,0]=4 3574 B10R0.92 CC(=O)C(C)SCC(C)(C)O 62a_100000764493_100009814033 [0,2,0,0,0,0|2,0,0]=4 3575 B10R0.92 CC(=O)C(C)SCC(C)(C)O 62a_100009814033_100000764493 [0,2,0,0,0,0|2,0,0]=4 3576 B10R0.92 CC(C)(C)NCC(F)C(=O)O 269956a_100000084737_100000211941 [0,2,0,0,0,0|2,0,0]=4 3577 B10R0.92 CC(CNC(C)(C)C)C(=O)O 269956a_100000749485_100000211941 [0,2,0,0,0,0|1,0,0]=3 3578 B10R0.92 CC(CNC(F)(F)F)C(=O)O 269956a_100000749485_200000243211 [0,2,0,0,0,0|2,0,0]=4 3579 B10R0.92 CC(NCC(C)(C)C)C(=O)N 2230a_100000743828_100000702099 [0,2,0,0,0,0|2,0,0]=4 3580 B10R0.92 CC(NCC(C)(C)F)C(=O)N 2230a_100020643315_100000702099 [0,2,0,0,0,0|2,0,0]=4 3581 B10R0.92 CC(NCC(C)(C)O)C(=O)N 2230a_100000751335_100000702099 [0,2,0,0,0,0|2,0,0]=4 3582 B10R0.92 CC(OCC(C)(C)F)C(=O)N 34a_100000716592_100000702099 [0,2,0,0,0,0|2,0,0]=4 3583 B10R0.92 CC(OCC(C)(F)F)C(=O)N 34a_100000068830_100000702099 [0,2,0,0,0,0|2,0,0]=4 3584 B10R0.92 CC(SCC(C)(C)C)C(=O)N 62a_100000702099_100011219605 [0,2,0,0,0,0|2,0,0]=4 3585 B10R0.92 CC(SCC(C)(C)C)C(=O)N 62a_100011219605_100000702099 [0,2,0,0,0,0|2,0,0]=4 3586 B10R0.92 CC(SCC(C)(C)F)C(=O)N 62a_100000702099_100011997219 [0,2,0,0,0,0|2,0,0]=4 3587 B10R0.92 CC(SCC(C)(C)F)C(=O)N 62a_100011997219_100000702099 [0,2,0,0,0,0|2,0,0]=4 3588 B10R0.92 CC(SCC(C)(C)O)C(=O)N 62a_100000702099_100000764493 [0,2,0,0,0,0|2,0,0]=4 3589 B10R0.92 CC(SCC(C)(C)O)C(=O)N 62a_100000764493_100000702099 [0,2,0,0,0,0|2,0,0]=4 3590 B10R0.92 C[C@@H](NCC(C)(C)C)C(=O)N 270004a_100000119354_100011204126 [0,2,0,0,0,0|2,0,0]=4 3591 B10R0.92 C[C@@H](NCC(C)(C)C)C(=O)N 34a_100000119354_100011219605 [0,2,0,0,0,0|2,0,0]=4 3592 B10R0.92 C[C@@H](NCC(C)(C)F)C(=O)N 34a_100000119354_100011997219 [0,2,0,0,0,0|2,0,0]=4 3593 B10R0.92 C[C@@H](NCC(C)(C)O)C(=O)N 34a_100000119354_100000764493 [0,2,0,0,0,0|2,0,0]=4 3594 B10R0.92 C[C@@H](OCC(C)(C)C)C(=O)N 34a_100000731257_100011219605 [0,2,0,0,0,0|2,0,0]=4 3595 B10R0.92 C[C@@H](OCC(C)(C)F)C(=O)N 34a_100000731257_100011997219 [0,2,0,0,0,0|2,0,0]=4 3596 B10R0.92 C[C@@H](OCC(C)(C)O)C(=O)N 34a_100000731257_100000764493 [0,2,0,0,0,0|2,0,0]=4 3597 B10R0.92 C[C@@H](OCC(C)(C)O)C(=O)N 7a_100000731257_100000764493 [0,2,0,0,0,0|2,0,0]=4 3598 B10R0.92 C[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743915_100011219605 [0,2,0,0,0,0|1,0,0]=3 3599 B10R0.92 C[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743915_100011997219 [0,2,0,0,0,0|1,0,0]=3 3600 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,2,0,0,0,0|1,0,0]=3 3601 B10R0.92 C[C@H](NCC(F)(F)F)C(=O)O 269956a_100000743915_100000763148 [0,2,0,0,0,0|2,0,0]=4 3602 B10R0.92 C[C@H](NC[N+](C)(C)C)C(=O)O 269956a_100000743915_200000036245 [0,2,0,0,0,0|2,0,0]=4 3603 B10R0.92 C[C@H](NC[Si](C)(C)C)C(=O)O 269956a_100000743915_100000037933 [0,2,0,0,0,0|1,1,0]=4 3604 B10R0.92 C[C@H](OCC(C)(C)O)C(=O)[O-] 7a_217856618621_100000764493 [0,2,0,0,0,0|1,0,1]=4 3605 B10R0.93 CC(=O)C(C)CN(C)C(C)C 1458a_100015184680_200000210301 [0,2,0,0,0,0|2,0,0]=4 3606 B10R0.93 CC(=O)C(C)NC(C)C(C)C 2230a_100000211541_100009814033 [0,2,0,0,0,0|2,0,0]=4 3607 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [0,2,0,0,0,0|1,0,1]=4 3608 B10R0.93 CC(=O)C(C)OC(C)C(C)C 7a_100000748068_100000179758 [0,2,0,0,0,0|2,0,0]=4 3609 B10R0.93 CC(CN(C)C(C)C)C(=O)[13CH3] 1458a_100015184680_200025704644 [0,2,0,0,0,0|2,0,0]=4 3610 B10R0.93 CC(NC(C)C(C)C)C(=O)N 2230a_100000211541_100000702099 [0,2,0,0,0,0|2,0,0]=4 3611 B10R0.93 CC(OC(C)C(C)C)C(=O)N 7a_100000748068_100000702099 [0,2,0,0,0,0|2,0,0]=4 3612 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [0,2,0,0,0,0|1,0,0]=3 3613 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [0,2,0,0,0,0|1,0,0]=3 3614 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [0,2,0,0,0,0|2,0,0]=4 3615 B10R0.19 C#CCC(=O)N(C)CCCC 1626a_100000207549_100011220946 [0,2,0,0,0,0|2,0,0]=4 3616 B10R0.19 C#CCC(=O)N(C)CCCC 527a_100000207549_100011220946 [0,2,0,0,0,0|2,0,0]=4 3617 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,2,0,0,0,0|1,0,0]=3 3618 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,2,0,0,0,0|1,0,0]=3 3619 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,2,0,0,0,0|2,0,0]=4 3620 B10R0.19 C=CCC(=O)N(C)CCCC 11a_100000207549_100000210193 [0,2,0,0,0,0|2,0,0]=4 3621 B10R0.19 C=CCC(=O)N(C)CCCC 1626a_100000207549_100000210193 [0,2,0,0,0,0|2,0,0]=4 3622 B10R0.19 C=CCC(=O)N(C)CCCC 240690a_100000207549_100000210193 [0,2,0,0,0,0|2,0,0]=4 3623 B10R0.19 C=CCC(=O)N(C)CCCC 527a_100000207549_100000210193 [0,2,0,0,0,0|2,0,0]=4 3624 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,2,0,0,0,0|1,0,0]=3 3625 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|1,0,0]=3 3626 B10R0.19 CC=CC(=O)N(C)CCCC 11a_100000207549_100000210699 [0,2,0,0,0,0|2,0,0]=4 3627 B10R0.19 CC=CC(=O)N(C)CCCC 1626a_100000207549_100000210699 [0,2,0,0,0,0|2,0,0]=4 3628 B10R0.19 CC=CC(=O)N(C)CCCC 240690a_100000207549_100000210699 [0,2,0,0,0,0|2,0,0]=4 3629 B10R0.19 CCC/C=C(\C)/C(=O)CCO 1458a_200020648666_100000211926 [0,2,0,0,0,0|0,0,2]=4 3630 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,2,0,0,0,0|1,0,0]=3 3631 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,2,0,0,0,0|1,0,0]=3 3632 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,2,0,0,0,0|1,0,0]=3 3633 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [0,2,0,0,0,0|1,0,0]=3 3634 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [0,2,0,0,0,0|1,0,0]=3 3635 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|1,0,0]=3 3636 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|1,0,0]=3 3637 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|1,0,0]=3 3638 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|0,0,0]=2 3639 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|0,0,0]=2 3640 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|0,0,0]=2 3641 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|0,1,0]=3 3642 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|1,0,0]=3 3643 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|1,0,0]=3 3644 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|1,0,0]=3 3645 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,2,0,0,0,0|1,0,0]=3 3646 B10R0.19 CCCCC(C)N(C)CCO 2230a_100000210263_200011215066 [0,2,0,0,0,0|2,0,0]=4 3647 B10R0.19 CCCCC(C)N(C)CCO 269982a_100000210263_200011215066 [0,2,0,0,0,0|2,0,0]=4 3648 B10R0.19 CCCCC(C)N(C)CCO 270004a_100000210263_100000210087 [0,2,0,0,0,0|2,0,0]=4 3649 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [0,2,0,0,0,0|2,0,0]=4 3650 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|2,0,0]=4 3651 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|2,0,0]=4 3652 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|1,0,0]=3 3653 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 3654 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 3655 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,2,0,0,0,0|2,0,0]=4 3656 B10R0.19 CCCCN(C)C(=O)C=CBr 1626a_100000207549_100016273825 [0,2,0,0,0,0|2,0,0]=4 3657 B10R0.19 CCCCN(C)C(=O)C=CBr 240690a_100000207549_100016273825 [0,2,0,0,0,0|2,0,0]=4 3658 B10R0.19 CCCCN(C)C(=O)C=CCl 11a_100000207549_200016279998 [0,2,0,0,0,0|2,0,0]=4 3659 B10R0.19 CCCCN(C)C(=O)C=CCl 1626a_100000207549_200016279998 [0,2,0,0,0,0|2,0,0]=4 3660 B10R0.19 CCCCN(C)C(=O)C=CCl 240690a_100000207549_200016279998 [0,2,0,0,0,0|2,0,0]=4 3661 B10R0.19 CCCCN(C)C(=O)C=CI 1626a_100000207549_100016256311 [0,2,0,0,0,0|2,0,0]=4 3662 B10R0.19 CCCCN(C)C(=O)CC#N 1626a_100000207549_100051588842 [0,2,0,0,0,0|2,0,0]=4 3663 B10R0.19 CCCCN(C)C(=O)CC#N 240690a_100000207549_100051588842 [0,2,0,0,0,0|2,0,0]=4 3664 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 3665 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 3666 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 3667 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 3668 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,2,0,0,0,0|1,0,0]=3 3669 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,2,0,0,0,0|2,0,0]=4 3670 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,2,0,0,0,0|2,0,0]=4 3671 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,2,0,0,0,0|2,0,0]=4 3672 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 3673 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 3674 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 3675 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,2,0,0,0,0|1,0,0]=3 3676 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 3677 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,2,0,0,0,0|1,1,0]=4 3678 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,2,0,0,0,0|1,1,0]=4 3679 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,2,0,0,0,0|1,1,0]=4 3680 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,2,0,0,0,0|1,1,0]=4 3681 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,2,0,0,0,0|1,1,0]=4 3682 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,2,0,0,0,0|1,1,0]=4 3683 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,2,0,0,0,0|1,1,0]=4 3684 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,2,0,0,0,0|1,1,0]=4 3685 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 3686 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 3687 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,2,0,0,0,0|2,0,0]=4 3688 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,2,0,0,0,0|2,0,0]=4 3689 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,2,0,0,0,0|1,1,0]=4 3690 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,2,0,0,0,0|2,0,0]=4 3691 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|1,0,0]=3 3692 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|2,0,0]=4 3693 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|1,0,0]=3 3694 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,2,0,0,0,0|2,0,0]=4 3695 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,2,0,0,0,0|2,0,0]=4 3696 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|1,0,0]=3 3697 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|1,0,0]=3 3698 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|2,0,0]=4 3699 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|2,0,0]=4 3700 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,2,0,0,0,0|2,0,0]=4 3701 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,2,0,0,0,0|2,0,0]=4 3702 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,2,0,0,0,0|2,0,0]=4 3703 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 3704 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,2,0,0,0,0|2,0,0]=4 3705 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,2,0,0,0,0|2,0,0]=4 3706 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,2,0,0,0,0|2,0,0]=4 3707 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 3708 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,2,0,0,0,0|2,0,0]=4 3709 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,2,0,0,0,0|2,0,0]=4 3710 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,2,0,0,0,0|2,0,0]=4 3711 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,2,0,0,0,0|2,0,0]=4 3712 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,2,0,0,0,0|2,0,0]=4 3713 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,2,0,0,0,0|2,0,0]=4 3714 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,2,0,0,0,0|2,0,0]=4 3715 B10R0.19 CN(CCCO)C(=O)CCO 240690a_100000213112_100011216618 [0,2,0,0,0,0|2,0,0]=4 3716 B10R0.19 COCC(=O)N(C)CCCO 240690a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 3717 B10R0.19 COCC(=O)N(C)CCCO 527a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 3718 B10R0.19 COCC(=O)N(C)CCSC 11a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 3719 B10R0.19 COCC(=O)N(C)CCSC 1626a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 3720 B10R0.19 COCC(=O)N(C)CCSC 240690a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 3721 B10R0.19 COCC(=O)N(C)CCSC 527a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 3722 B10R0.19 COCCN(C)C(=O)CCO 240690a_100000743101_100011216618 [0,2,0,0,0,0|2,0,0]=4 3723 B10R0.19 COCCN(C)C(=O)COC 11a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 3724 B10R0.19 COCCN(C)C(=O)COC 1626a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 3725 B10R0.19 COCCN(C)C(=O)COC 240690a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 3726 B10R0.19 COCCN(C)C(=O)COC 527a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 3727 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|2,0,0]=4 3728 B10R0.19 CSCCN(C)C(=O)CCO 240690a_100000686725_100011216618 [0,2,0,0,0,0|2,0,0]=4 3729 B10R0.46 C=CC(=O)N(C)CC(C)CC 1626a_100000753921_100000185746 [0,2,0,0,0,0|2,0,0]=4 3730 B10R0.46 C=CC(=O)N(C)CC(C)CC 240690a_100000753921_200121576911 [0,2,0,0,0,0|2,0,0]=4 3731 B10R0.46 CCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210202 [0,2,0,0,0,0|2,0,0]=4 3732 B10R0.46 CCC(=O)C(C)NC(C)CC 2230a_100000209981_100000742827 [0,2,0,0,0,0|2,0,0]=4 3733 B10R0.46 CCC(=O)C(C)OC(C)CC 7a_100000210228_100000742827 [0,2,0,0,0,0|2,0,0]=4 3734 B10R0.46 CCC(=O)C(C)SC(C)CC 62a_100000742827_100000758301 [0,2,0,0,0,0|2,0,0]=4 3735 B10R0.46 CCC(=O)C(C)SC(C)CC 62a_100000758301_100000742827 [0,2,0,0,0,0|2,0,0]=4 3736 B10R0.46 CCC(=O)N(C)CC(C)CC 11a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 3737 B10R0.46 CCC(=O)N(C)CC(C)CC 1626a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 3738 B10R0.46 CCC(=O)N(C)CC(C)CC 240690a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 3739 B10R0.46 CCC(=O)N(C)CC(C)CC 527a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 3740 B10R0.46 CCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210414 [0,2,0,0,0,0|1,0,1]=4 3741 B10R0.46 CCC(C)CN(C)C(=O)CO 240690a_100000753921_100000210174 [0,2,0,0,0,0|1,0,0]=3 3742 B10R0.46 CCC(C)CN(C)C(=O)CO 527a_100000753921_100000210174 [0,2,0,0,0,0|1,0,0]=3 3743 B10R0.46 CCC(C)CN(C)C(=O)NC 2708a_100102657272_100000753921 [0,2,0,0,0,0|2,0,0]=4 3744 B10R0.46 CCC(C)CN(C)C(=O)NC 273464a_100102657272_100000753921 [0,2,0,0,0,0|2,0,0]=4 3745 B10R0.46 CCC(C)NC(C)C(=O)NC 2230a_100000209981_100000731044 [0,2,0,0,0,0|2,0,0]=4 3746 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|1,0,0]=3 3747 B10R0.46 CCC(C)N[C@H](C)C(=O)NC 2230a_100000684985_100000758301 [0,2,0,0,0,0|2,0,0]=4 3748 B10R0.46 CCC(C)N[C@H](C)C(=O)NC 34a_100000684985_100011215416 [0,2,0,0,0,0|2,0,0]=4 3749 B10R0.46 CCC(C)OC(C)C(=O)NC 7a_100000210228_100000209862 [0,2,0,0,0,0|2,0,0]=4 3750 B10R0.46 CCC(C)OC(C)C(=O)NN 34a_100000725659_100011215416 [0,2,0,0,0,0|2,0,0]=4 3751 B10R0.46 CCC(C)OC(C)C(=O)OC 34a_100011215400_100011215416 [0,2,0,0,0,0|1,0,0]=3 3752 B10R0.46 CCC(C)OC(C)C(=O)OC 7a_100000210228_100000211248 [0,2,0,0,0,0|1,0,0]=3 3753 B10R0.46 CCC(C)SC(C)C(=O)NC 62a_100000209862_100000758301 [0,2,0,0,0,0|2,0,0]=4 3754 B10R0.46 CCC(C)SC(C)C(=O)NC 62a_100000758301_100000731044 [0,2,0,0,0,0|2,0,0]=4 3755 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000211248_100000758301 [0,2,0,0,0,0|1,0,0]=3 3756 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000758301_100000211248 [0,2,0,0,0,0|1,0,0]=3 3757 B10R0.46 CCN(C)CC(C)C(=O)CF 1458a_200015185930_100015361967 [0,2,0,0,0,0|2,0,0]=4 3758 B10R0.46 CCN(C)CC(C)C(=O)NC 11a_106832991635_200015185930 [0,2,0,0,0,0|2,0,0]=4 3759 B10R0.46 CCN(C)CC(C)C(=O)NC 1626a_100102657272_200015185930 [0,2,0,0,0,0|2,0,0]=4 3760 B10R0.46 CCN(C)CC(C)C(=O)NC 240690a_100102657272_200015185930 [0,2,0,0,0,0|2,0,0]=4 3761 B10R0.46 CCN(C)CC(C)C(=O)OC 269982a_100000225621_100000698445 [0,2,0,0,0,0|1,0,0]=3 3762 B10R0.46 CN(CC(O)CO)C(=O)CO 240690a_100011216503_100000210174 [0,2,0,0,0,0|2,0,0]=4 3763 B10R0.46 CN(CC(O)CO)C(=O)CO 527a_100011216503_100000210174 [0,2,0,0,0,0|2,0,0]=4 3764 B10R0.46 COC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000211248 [0,2,0,0,0,0|2,0,0]=4 3765 B10R0.46 COC(=O)C(C)OC(C)CF 34a_100016041109_100000211248 [0,2,0,0,0,0|2,0,0]=4 3766 B10R0.46 COC(=O)C(C)OC(C)CF 7a_100016041109_100000211248 [0,2,0,0,0,0|2,0,0]=4 3767 B10R0.46 COC(=O)C(C)OC(C)CN 34a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 3768 B10R0.46 COC(=O)C(C)OC(C)CO 34a_100011215400_100012180447 [0,2,0,0,0,0|2,0,0]=4 3769 B10R0.46 COC(=O)C(C)SC(C)CO 62a_100012180447_100000211248 [0,2,0,0,0,0|2,0,0]=4 3770 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100000211248_100009879195 [0,2,0,0,0,0|2,0,0]=4 3771 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100009879195_100000211248 [0,2,0,0,0,0|2,0,0]=4 3772 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100000211248_100016084084 [0,2,0,0,0,0|2,0,0]=4 3773 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000211248 [0,2,0,0,0,0|2,0,0]=4 3774 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,2,0,0,0,0|1,0,0]=3 3775 B10R0.83 C#CCCNC(C)C(=O)OC 34a_100000755551_100000211248 [0,2,0,0,0,0|0,0,2]=4 3776 B10R0.83 C#CCCOC(C)C(=O)OC 34a_100011215400_100000688953 [0,2,0,0,0,0|0,0,2]=4 3777 B10R0.83 C#CCCOC(C)C(=O)OC 34a_100011215631_100000211248 [0,2,0,0,0,0|0,0,2]=4 3778 B10R0.83 C#CCCSC(C)C(=O)OC 62a_100000211248_100000688953 [0,2,0,0,0,0|0,0,2]=4 3779 B10R0.83 C#CCCSC(C)C(=O)OC 62a_100000688953_100000211248 [0,2,0,0,0,0|0,0,2]=4 3780 B10R0.83 C#CCNCC(C)C(=O)OC 34a_100000212058_100000698445 [0,2,0,0,0,0|0,0,2]=4 3781 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000210247_100000698445 [0,2,0,0,0,0|0,0,2]=4 3782 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000749362_100000184674 [0,2,0,0,0,0|0,0,2]=4 3783 B10R0.83 C#CCOCC(C)C(=O)OC 7a_100000749362_100000038162 [0,2,0,0,0,0|0,0,2]=4 3784 B10R0.83 C#CCSCC(C)C(=O)OC 62a_100000038162_100000698445 [0,2,0,0,0,0|0,0,2]=4 3785 B10R0.83 C/C=C(\C)/C(C)NCCCC 269862a_100000102301_100020675665 [0,2,0,0,0,0|2,0,0]=4 3786 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100011215400_100102629194 [0,2,0,0,0,0|0,0,2]=4 3787 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100016270725_100000211248 [0,2,0,0,0,0|0,0,2]=4 3788 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100000211248_100102629194 [0,2,0,0,0,0|0,0,2]=4 3789 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100102629194_100000211248 [0,2,0,0,0,0|0,0,2]=4 3790 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|0,0,2]=4 3791 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|0,0,2]=4 3792 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|0,0,2]=4 3793 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|1,0,0]=3 3794 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,2,0,0,0,0|2,0,0]=4 3795 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,2,0,0,0,0|2,0,0]=4 3796 B10R0.83 C=CC(=O)N(C)CCCCO 240690a_100000717598_200121576911 [0,2,0,0,0,0|2,0,0]=4 3797 B10R0.83 C=CC(=O)N(C)CCCOC 1626a_100000224831_100000185746 [0,2,0,0,0,0|2,0,0]=4 3798 B10R0.83 C=CC(=O)N(C)CCCOC 240690a_100000224831_200121576911 [0,2,0,0,0,0|2,0,0]=4 3799 B10R0.83 C=CCCNC(C)C(=O)OC 2230a_100015191253_100000211248 [0,2,0,0,0,0|0,0,2]=4 3800 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011205117_100000211248 [0,2,0,0,0,0|0,0,2]=4 3801 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011215400_100000754431 [0,2,0,0,0,0|0,0,2]=4 3802 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000211248_100000754431 [0,2,0,0,0,0|0,0,2]=4 3803 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000754431_100000211248 [0,2,0,0,0,0|0,0,2]=4 3804 B10R0.83 C=CCOCC(C)C(=O)OC 34a_100000749362_100015514636 [0,2,0,0,0,0|0,0,2]=4 3805 B10R0.83 C=CCOCC(C)C(=O)OC 34a_200000210373_100000698445 [0,2,0,0,0,0|0,0,2]=4 3806 B10R0.83 C=CCOCC(C)C(=O)OC 7a_100000749362_100015514636 [0,2,0,0,0,0|0,0,2]=4 3807 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000210623_100000698445 [0,2,0,0,0,0|0,0,2]=4 3808 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000698445_100000210623 [0,2,0,0,0,0|0,0,2]=4 3809 B10R0.83 CC#CCNC(C)C(=O)OC 2230a_100000685387_100000211248 [0,2,0,0,0,0|0,0,2]=4 3810 B10R0.83 CC#CCNC(C)C(=O)OC 34a_100000685387_100000211248 [0,2,0,0,0,0|0,0,2]=4 3811 B10R0.83 CC#CCOC(C)C(=O)OC 34a_100000761923_100000211248 [0,2,0,0,0,0|0,0,2]=4 3812 B10R0.83 CC#CCOC(C)C(=O)OC 34a_100011215400_100000748600 [0,2,0,0,0,0|0,0,2]=4 3813 B10R0.83 CC#CCSC(C)C(=O)OC 62a_100000211248_100000748600 [0,2,0,0,0,0|0,0,2]=4 3814 B10R0.83 CC#CCSC(C)C(=O)OC 62a_100000748600_100000211248 [0,2,0,0,0,0|0,0,2]=4 3815 B10R0.83 CC(OCCCF)C(=O)NN 34a_100000725659_100011934791 [0,2,0,0,0,0|2,0,0]=4 3816 B10R0.83 CC(OCCCO)C(=O)NN 34a_100000725659_100000230001 [0,2,0,0,0,0|2,0,0]=4 3817 B10R0.83 CC=CCOC(C)C(=O)OC 34a_100011215400_100000070051 [0,2,0,0,0,0|0,0,2]=4 3818 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000070051_100000211248 [0,2,0,0,0,0|0,0,2]=4 3819 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000211248_100000070051 [0,2,0,0,0,0|0,0,2]=4 3820 B10R0.83 CCC(=O)C(C)NCCCF 2230a_100015189416_100000742827 [0,2,0,0,0,0|2,0,0]=4 3821 B10R0.83 CCC(=O)C(C)NCCOC 2230a_100000209980_100000742827 [0,2,0,0,0,0|2,0,0]=4 3822 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [0,2,0,0,0,0|2,0,0]=4 3823 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [0,2,0,0,0,0|2,0,0]=4 3824 B10R0.83 CCC(=O)C(C)SCCCF 62a_100000742827_100011934791 [0,2,0,0,0,0|2,0,0]=4 3825 B10R0.83 CCC(=O)C(C)SCCCF 62a_100011934791_100000742827 [0,2,0,0,0,0|2,0,0]=4 3826 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,2,0,0,0,0|2,0,0]=4 3827 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,2,0,0,0,0|2,0,0]=4 3828 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000233755_100000742827 [0,2,0,0,0,0|2,0,0]=4 3829 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000742827_100000233755 [0,2,0,0,0,0|2,0,0]=4 3830 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [0,2,0,0,0,0|2,0,0]=4 3831 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [0,2,0,0,0,0|2,0,0]=4 3832 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,2,0,0,0,0|2,0,0]=4 3833 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 3834 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 3835 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 3836 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 3837 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|1,0,0]=3 3838 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|1,0,0]=3 3839 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|1,0,0]=3 3840 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|0,0,0]=2 3841 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|1,0,0]=3 3842 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 3843 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 3844 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 3845 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 3846 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 3847 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 3848 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 3849 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 3850 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 3851 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 3852 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 3853 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 3854 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 3855 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 3856 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 3857 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|1,0,0]=3 3858 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|1,0,0]=3 3859 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|1,0,0]=3 3860 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|1,0,0]=3 3861 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|0,0,0]=2 3862 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|0,0,0]=2 3863 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|2,0,0]=4 3864 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|2,0,0]=4 3865 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|1,0,0]=3 3866 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|1,0,0]=3 3867 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|1,0,0]=3 3868 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|1,0,0]=3 3869 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|1,0,0]=3 3870 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [0,2,0,0,0,0|1,0,0]=3 3871 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|0,0,0]=2 3872 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|0,0,0]=2 3873 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|0,0,0]=2 3874 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|2,0,0]=4 3875 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|2,0,0]=4 3876 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|1,0,0]=3 3877 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|1,0,0]=3 3878 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|1,0,0]=3 3879 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,2,0,0,0,0|1,0,0]=3 3880 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|1,0,0]=3 3881 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 3882 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 3883 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 3884 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|1,0,0]=3 3885 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|1,0,0]=3 3886 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|0,0,0]=2 3887 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|0,0,0]=2 3888 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|2,0,0]=4 3889 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|2,0,0]=4 3890 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,2,0,0,0,0|1,0,0]=3 3891 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,2,0,0,0,0|1,0,0]=3 3892 B10R0.83 CCCNN=C(C)C(=O)OC 4a_100000740057_100000211753 [0,2,0,0,0,0|1,0,1]=4 3893 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 3894 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|0,0,0]=2 3895 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|0,0,0]=2 3896 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|0,0,0]=2 3897 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|1,0,0]=3 3898 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,2,0,0,0,0|2,0,0]=4 3899 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|1,0,0]=3 3900 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,1]=4 3901 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,1]=4 3902 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|0,0,0]=2 3903 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|0,0,0]=2 3904 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|0,0,0]=2 3905 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|0,0,0]=2 3906 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000739092_100000742827 [0,2,0,0,0,0|2,0,0]=4 3907 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000742827_100000739092 [0,2,0,0,0,0|2,0,0]=4 3908 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000209862_100000739092 [0,2,0,0,0,0|2,0,0]=4 3909 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000739092_100000731044 [0,2,0,0,0,0|2,0,0]=4 3910 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,2,0,0,0,0|1,0,0]=3 3911 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,2,0,0,0,0|1,0,0]=3 3912 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|0,0,0]=2 3913 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|0,0,0]=2 3914 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,2,0,0,0,0|1,0,0]=3 3915 B10R0.83 CNC(=O)C(C)CNCCF 2230a_100015187722_100011217306 [0,2,0,0,0,0|2,0,0]=4 3916 B10R0.83 CNC(=O)C(C)CNCCF 34a_100015187722_100011217306 [0,2,0,0,0,0|2,0,0]=4 3917 B10R0.83 CNC(=O)C(C)CNCCO 2230a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 3918 B10R0.83 CNC(=O)C(C)CNCCO 34a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 3919 B10R0.83 CNC(=O)C(C)CNCOC 2230a_100015187722_100000766300 [0,2,0,0,0,0|2,0,0]=4 3920 B10R0.83 CNC(=O)C(C)CNCSC 2230a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 3921 B10R0.83 CNC(=O)C(C)CNCSC 34a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 3922 B10R0.83 CNC(=O)C(C)NCCCF 2230a_100015189416_100000731044 [0,2,0,0,0,0|2,0,0]=4 3923 B10R0.83 CNC(=O)C(C)NCCCF 34a_100015189416_100000731044 [0,2,0,0,0,0|2,0,0]=4 3924 B10R0.83 CNC(=O)C(C)NCCOC 2230a_100000209980_100000731044 [0,2,0,0,0,0|2,0,0]=4 3925 B10R0.83 CNC(=O)C(C)NCCSC 2230a_100020590264_100000731044 [0,2,0,0,0,0|2,0,0]=4 3926 B10R0.83 CNC(=O)C(C)OCCCBr 34a_100011217188_100000731044 [0,2,0,0,0,0|2,0,0]=4 3927 B10R0.83 CNC(=O)C(C)OCCCCl 34a_100000230001_100000731044 [0,2,0,0,0,0|2,0,0]=4 3928 B10R0.83 CNC(=O)C(C)OCCCF 34a_100000759539_100000731044 [0,2,0,0,0,0|2,0,0]=4 3929 B10R0.83 CNC(=O)C(C)OCCCN 34a_100000182051_100000731044 [0,2,0,0,0,0|2,0,0]=4 3930 B10R0.83 CNC(=O)C(C)OCCOC 34a_100000210237_100000731044 [0,2,0,0,0,0|2,0,0]=4 3931 B10R0.83 CNC(=O)C(C)OCCSC 34a_100000230434_100000731044 [0,2,0,0,0,0|2,0,0]=4 3932 B10R0.83 CNC(=O)C(C)OCCSC 7a_100000230434_100000209862 [0,2,0,0,0,0|2,0,0]=4 3933 B10R0.83 CNC(=O)C(C)SCCCF 62a_100000209862_100011934791 [0,2,0,0,0,0|2,0,0]=4 3934 B10R0.83 CNC(=O)C(C)SCCCF 62a_100011934791_100000731044 [0,2,0,0,0,0|2,0,0]=4 3935 B10R0.83 CNC(=O)C(C)SCCCO 62a_100000209862_100011215043 [0,2,0,0,0,0|2,0,0]=4 3936 B10R0.83 CNC(=O)C(C)SCCCO 62a_100011215043_100000731044 [0,2,0,0,0,0|2,0,0]=4 3937 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000209862_100000233755 [0,2,0,0,0,0|2,0,0]=4 3938 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000233755_100000731044 [0,2,0,0,0,0|2,0,0]=4 3939 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000209862_100000751147 [0,2,0,0,0,0|2,0,0]=4 3940 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000212216_100000731044 [0,2,0,0,0,0|2,0,0]=4 3941 B10R0.83 CNC(=O)N(C)CCCCO 2708a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 3942 B10R0.83 CNC(=O)N(C)CCCCO 273464a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 3943 B10R0.83 CNC(=O)N(C)CCCOC 2708a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 3944 B10R0.83 CNC(=O)N(C)CCCOC 273464a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 3945 B10R0.83 CNC(=O)[C@@H](C)NCCCF 2230a_100000684985_100011934791 [0,2,0,0,0,0|2,0,0]=4 3946 B10R0.83 CNC(=O)[C@@H](C)NCCCF 34a_100000684985_100011934791 [0,2,0,0,0,0|2,0,0]=4 3947 B10R0.83 CNC(=O)[C@@H](C)NCCCO 2230a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 3948 B10R0.83 CNC(=O)[C@@H](C)NCCCO 34a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 3949 B10R0.83 CNC(=O)[C@@H](C)NCCOC 2230a_100000684985_100011201679 [0,2,0,0,0,0|2,0,0]=4 3950 B10R0.83 CNC(=O)[C@@H](C)NCCOC 34a_100000684985_100011201679 [0,2,0,0,0,0|2,0,0]=4 3951 B10R0.83 CNC(=O)[C@@H](C)NCCSC 2230a_100000684985_100000751147 [0,2,0,0,0,0|2,0,0]=4 3952 B10R0.83 CNC(=O)[C@@H](C)NCCSC 34a_100000684985_100000212216 [0,2,0,0,0,0|2,0,0]=4 3953 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|1,0,0]=3 3954 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|1,0,0]=3 3955 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,2,0,0,0,0|1,0,0]=3 3956 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,2,0,0,0,0|1,0,0]=3 3957 B10R0.83 COC(=O)C(C)COCC#N 7a_100000749362_100011215382 [0,2,0,0,0,0|1,0,1]=4 3958 B10R0.83 COC(=O)C(C)COCC=O 34a_100000749362_200009817547 [0,2,0,0,0,0|1,0,1]=4 3959 B10R0.83 COC(=O)C(C)COCC=O 7a_100000749362_200015260668 [0,2,0,0,0,0|1,0,1]=4 3960 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,2,0,0,0,0|1,0,0]=3 3961 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,2,0,0,0,0|1,0,0]=3 3962 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,2,0,0,0,0|1,0,0]=3 3963 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|1,0,0]=3 3964 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,2,0,0,0,0|1,0,0]=3 3965 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,2,0,0,0,0|1,0,0]=3 3966 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,2,0,0,0,0|1,0,0]=3 3967 B10R0.83 COC(=O)C(C)CSCC#N 62a_100000698445_100011215382 [0,2,0,0,0,0|1,0,1]=4 3968 B10R0.83 COC(=O)C(C)CSCC#N 62a_100011215382_100000698445 [0,2,0,0,0,0|1,0,1]=4 3969 B10R0.83 COC(=O)C(C)CSCC=O 62a_100000698445_200015260668 [0,2,0,0,0,0|1,0,1]=4 3970 B10R0.83 COC(=O)C(C)CSCC=O 62a_200015260668_100000698445 [0,2,0,0,0,0|1,0,1]=4 3971 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,2,0,0,0,0|1,0,0]=3 3972 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,2,0,0,0,0|1,0,0]=3 3973 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,2,0,0,0,0|1,0,0]=3 3974 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,2,0,0,0,0|1,0,0]=3 3975 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,2,0,0,0,0|1,0,0]=3 3976 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,2,0,0,0,0|1,0,0]=3 3977 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|1,0,0]=3 3978 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|1,0,0]=3 3979 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|1,0,0]=3 3980 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|1,0,0]=3 3981 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|1,0,0]=3 3982 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|1,0,0]=3 3983 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|1,0,0]=3 3984 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|1,0,0]=3 3985 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|1,0,0]=3 3986 B10R0.83 COC(=O)C(C)OCCON 34a_100000700252_100000211248 [0,2,0,0,0,0|2,0,0]=4 3987 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|1,0,0]=3 3988 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|1,0,0]=3 3989 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|1,0,0]=3 3990 B10R0.83 COC(=O)C(C)SCCC#N 62a_100000211248_100011215226 [0,2,0,0,0,0|1,0,1]=4 3991 B10R0.83 COC(=O)C(C)SCCC#N 62a_100011215226_100000211248 [0,2,0,0,0,0|1,0,1]=4 3992 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|1,0,0]=3 3993 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|1,0,0]=3 3994 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|1,0,0]=3 3995 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|1,0,0]=3 3996 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|1,0,0]=3 3997 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|1,0,0]=3 3998 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,2,0,0,0,0|2,0,0]=4 3999 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,2,0,0,0,0|2,0,0]=4 4000 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,2,0,0,0,0|2,0,0]=4 4001 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,0,0,0,0|2,0,0]=4 4002 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,0,0,0,0|2,0,0]=4 4003 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|2,0,0]=4 4004 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,2,0,0,0,0|1,0,0]=3 4005 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,2,0,0,0,0|1,0,0]=3 4006 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|1,0,0]=3 4007 B10R0.83 COCCOC(C)C(=O)NN 34a_100000725659_100011201679 [0,2,0,0,0,0|2,0,0]=4 4008 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|1,0,0]=3 4009 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|1,0,0]=3 4010 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|1,0,0]=3 4011 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|1,0,0]=3 4012 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,2,0,0,0,0|1,0,0]=3 4013 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,2,0,0,0,0|1,0,0]=3 4014 B10R0.83 CSCCOC(C)C(=O)NN 34a_100000725659_100000212216 [0,2,0,0,0,0|2,0,0]=4 4015 B10R0.85 C#CC(=O)C(CC)CCCC 1458a_100000211873_200011216223 [0,2,0,0,0,0|1,0,0]=3 4016 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [0,2,0,0,0,0|1,0,0]=3 4017 B10R0.85 C=CC(=O)N(CC)CCCC 1626a_100000207695_100000185746 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.85 C=CC(=O)N(CC)CCCC 240690a_100000207695_200121576911 [0,2,0,0,0,0|2,0,0]=4 4019 B10R0.85 CCC(NCCF)C(=O)OC 34a_100000724931_100000235869 [0,2,0,0,0,0|2,0,0]=4 4020 B10R0.85 CCC(NCCO)C(=O)OC 2230a_100016997473_100000235869 [0,2,0,0,0,0|2,0,0]=4 4021 B10R0.85 CCC(NCCO)C(=O)OC 34a_100016990907_100000235869 [0,2,0,0,0,0|2,0,0]=4 4022 B10R0.85 CCC(OCCBr)C(=O)OC 34a_100000211926_100000235869 [0,2,0,0,0,0|2,0,0]=4 4023 B10R0.85 CCC(OCCF)C(=O)OC 34a_100000695916_100011217306 [0,2,0,0,0,0|2,0,0]=4 4024 B10R0.85 CCC(OCCF)C(=O)OC 7a_100000695916_100011217306 [0,2,0,0,0,0|2,0,0]=4 4025 B10R0.85 CCC(OCCN)C(=O)OC 34a_100000210304_100000235869 [0,2,0,0,0,0|2,0,0]=4 4026 B10R0.85 CCC(OCCO)C(=O)OC 34a_100000695916_100000211926 [0,2,0,0,0,0|2,0,0]=4 4027 B10R0.85 CCC(OCCO)C(=O)OC 7a_100000695916_100000211926 [0,2,0,0,0,0|2,0,0]=4 4028 B10R0.85 CCC(OCSC)C(=O)OC 34a_100000695916_100011218213 [0,2,0,0,0,0|2,0,0]=4 4029 B10R0.85 CCC(SCCF)C(=O)OC 62a_100000235869_100011217306 [0,2,0,0,0,0|2,0,0]=4 4030 B10R0.85 CCC(SCCF)C(=O)OC 62a_100011217306_100000235869 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000211926_100000235869 [0,2,0,0,0,0|2,0,0]=4 4032 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000235869_100000211926 [0,2,0,0,0,0|2,0,0]=4 4033 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000235869_100000766300 [0,2,0,0,0,0|2,0,0]=4 4034 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000766300_100000235869 [0,2,0,0,0,0|2,0,0]=4 4035 B10R0.85 CCC(SCSC)C(=O)OC 62a_100000235869_100011218213 [0,2,0,0,0,0|2,0,0]=4 4036 B10R0.85 CCC(SCSC)C(=O)OC 62a_100011218213_100000235869 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,2,0,0,0,0|1,0,0]=3 4038 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,2,0,0,0,0|1,0,0]=3 4039 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [0,2,0,0,0,0|1,0,0]=3 4040 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,2,0,0,0,0|0,0,0]=2 4041 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,2,0,0,0,0|1,0,0]=3 4042 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,2,0,0,0,0|1,0,0]=3 4043 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,2,0,0,0,0|1,0,0]=3 4044 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,2,0,0,0,0|1,0,0]=3 4045 B10R0.85 CCCCC(CC)C(C)OC 34a_200011290779_200000210301 [0,2,0,0,0,0|1,0,1]=4 4046 B10R0.85 CCCCC(CC)C(C)OC 7a_200011290779_200000210301 [0,2,0,0,0,0|1,0,1]=4 4047 B10R0.85 CCCCC(CC)C(C)O[13CH3] 34a_200011290779_200025704644 [0,2,0,0,0,0|1,0,1]=4 4048 B10R0.85 CCCCC(CC)C(C)O[13CH3] 7a_200011290779_200025704644 [0,2,0,0,0,0|1,0,1]=4 4049 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,0,0,0,0|0,0,0]=2 4050 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,0,0,0,0|0,0,0]=2 4051 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,0,0,0,0|0,0,0]=2 4052 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,0,0,0,0|0,0,0]=2 4053 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,0,0,0,0|0,0,0]=2 4054 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,0,0,0,0|0,0,0]=2 4055 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,0,0,0,0|0,0,0]=2 4056 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,0,0,0,0|0,0,0]=2 4057 B10R0.85 CCCCN(CC)C(=O)CC 11a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 4058 B10R0.85 CCCCN(CC)C(=O)CC 1626a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 4059 B10R0.85 CCCCN(CC)C(=O)CC 240690a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 4060 B10R0.85 CCCCN(CC)C(=O)CC 527a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 4061 B10R0.85 CCCCN(CC)C(=O)CO 240690a_100000207695_100000210174 [0,2,0,0,0,0|1,0,0]=3 4062 B10R0.85 CCCCN(CC)C(=O)CO 527a_100000207695_100000210174 [0,2,0,0,0,0|1,0,0]=3 4063 B10R0.85 CCCCN(CC)C(=O)NC 2708a_100102657272_100000207695 [0,2,0,0,0,0|2,0,0]=4 4064 B10R0.85 CCCCN(CC)C(=O)NC 273464a_100102657272_100000207695 [0,2,0,0,0,0|2,0,0]=4 4065 B10R0.85 CCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210303 [0,2,0,0,0,0|2,0,0]=4 4066 B10R0.85 CCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210303 [0,2,0,0,0,0|2,0,0]=4 4067 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [0,2,0,0,0,0|1,0,1]=4 4068 B10R0.85 CCCOC(CC)C(=O)CC 34a_200011218131_100000210303 [0,2,0,0,0,0|2,0,0]=4 4069 B10R0.85 CCCOC(CC)C(=O)CC 7a_200011218131_100000210303 [0,2,0,0,0,0|2,0,0]=4 4070 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [0,2,0,0,0,0|1,0,0]=3 4071 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [0,2,0,0,0,0|1,0,0]=3 4072 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [0,2,0,0,0,0|1,0,0]=3 4073 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [0,2,0,0,0,0|1,0,0]=3 4074 B10R0.85 CCCOC(CO)C(=O)OC 34a_100000210258_100012276630 [0,2,0,0,0,0|1,0,0]=3 4075 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000036821_100000210303 [0,2,0,0,0,0|1,0,0]=3 4076 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000210258_100000101307 [0,2,0,0,0,0|1,0,0]=3 4077 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [0,2,0,0,0,0|1,0,1]=4 4078 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [0,2,0,0,0,0|1,0,1]=4 4079 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [0,2,0,0,0,0|1,0,0]=3 4080 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [0,2,0,0,0,0|1,0,0]=3 4081 B10R0.85 CCCSC(CO)C(=O)OC 62a_100000210303_100012276630 [0,2,0,0,0,0|1,0,0]=3 4082 B10R0.85 CCCSC(CO)C(=O)OC 62a_100012276630_100000210303 [0,2,0,0,0,0|1,0,0]=3 4083 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000101307_100000210303 [0,2,0,0,0,0|1,0,0]=3 4084 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000210303_100000101307 [0,2,0,0,0,0|1,0,0]=3 4085 B10R0.85 CCN(CCOC)C(=O)CO 240690a_100000731262_100000210174 [0,2,0,0,0,0|2,0,0]=4 4086 B10R0.85 CCN(CCOC)C(=O)CO 527a_100000731262_100000210174 [0,2,0,0,0,0|2,0,0]=4 4087 B10R0.85 COC(=O)C(CN)OCCF 34a_100000695228_100011217306 [0,2,0,0,0,0|2,0,0]=4 4088 B10R0.85 COC(=O)C(CN)OCCO 34a_100000695228_100000211926 [0,2,0,0,0,0|2,0,0]=4 4089 B10R0.85 COC(=O)C(CN)OCSC 34a_100000695228_100011218213 [0,2,0,0,0,0|2,0,0]=4 4090 B10R0.85 COC(=O)C(CO)NCCF 34a_100000724931_100012276630 [0,2,0,0,0,0|2,0,0]=4 4091 B10R0.85 COC(=O)C(CO)NCCO 34a_100016990907_100012276630 [0,2,0,0,0,0|2,0,0]=4 4092 B10R0.85 COC(=O)C(CO)OCCBr 34a_100000211926_100012276630 [0,2,0,0,0,0|2,0,0]=4 4093 B10R0.85 COC(=O)C(CO)OCCN 34a_100000210304_100012276630 [0,2,0,0,0,0|2,0,0]=4 4094 B10R0.85 COC(=O)C(CO)SCCF 62a_100011217306_100012276630 [0,2,0,0,0,0|2,0,0]=4 4095 B10R0.85 COC(=O)C(CO)SCCF 62a_100012276630_100011217306 [0,2,0,0,0,0|2,0,0]=4 4096 B10R0.85 COC(=O)C(CO)SCCO 62a_100000211926_100012276630 [0,2,0,0,0,0|2,0,0]=4 4097 B10R0.85 COC(=O)C(CO)SCCO 62a_100012276630_100000211926 [0,2,0,0,0,0|2,0,0]=4 4098 B10R0.85 COC(=O)C(CO)SCSC 62a_100011218213_100012276630 [0,2,0,0,0,0|2,0,0]=4 4099 B10R0.85 COC(=O)C(CO)SCSC 62a_100012276630_100011218213 [0,2,0,0,0,0|2,0,0]=4 4100 B10R0.85 COC(=O)C(NCCF)OC 34a_100000724931_100000101307 [0,2,0,0,0,0|2,0,0]=4 4101 B10R0.85 COC(=O)C(NCCO)OC 34a_100016990907_100000101307 [0,2,0,0,0,0|2,0,0]=4 4102 B10R0.85 COC(=O)C(OC)OCCBr 34a_100000211926_100000101307 [0,2,0,0,0,0|2,0,0]=4 4103 B10R0.85 COC(=O)C(OC)OCCF 34a_100000036821_100011217306 [0,2,0,0,0,0|2,0,0]=4 4104 B10R0.85 COC(=O)C(OC)OCCN 34a_100000210304_100000101307 [0,2,0,0,0,0|2,0,0]=4 4105 B10R0.85 COC(=O)C(OC)OCCO 34a_100000036821_100000211926 [0,2,0,0,0,0|2,0,0]=4 4106 B10R0.85 COC(=O)C(OC)OCSC 34a_100000036821_100011218213 [0,2,0,0,0,0|2,0,0]=4 4107 B10R0.85 COC(=O)C(OC)SCCF 62a_100000101307_100011217306 [0,2,0,0,0,0|2,0,0]=4 4108 B10R0.85 COC(=O)C(OC)SCCF 62a_100011217306_100000101307 [0,2,0,0,0,0|2,0,0]=4 4109 B10R0.85 COC(=O)C(OC)SCCO 62a_100000101307_100000211926 [0,2,0,0,0,0|2,0,0]=4 4110 B10R0.85 COC(=O)C(OC)SCCO 62a_100000211926_100000101307 [0,2,0,0,0,0|2,0,0]=4 4111 B10R0.85 COC(=O)C(OC)SCSC 62a_100000101307_100011218213 [0,2,0,0,0,0|2,0,0]=4 4112 B10R0.85 COC(=O)C(OC)SCSC 62a_100011218213_100000101307 [0,2,0,0,0,0|2,0,0]=4 4113 B10R0.85 COCSC(CO)C(=O)OC 62a_100000766300_100012276630 [0,2,0,0,0,0|2,0,0]=4 4114 B10R0.85 COCSC(CO)C(=O)OC 62a_100012276630_100000766300 [0,2,0,0,0,0|2,0,0]=4 4115 B10R0.85 COCSC(OC)C(=O)OC 62a_100000101307_100000766300 [0,2,0,0,0,0|2,0,0]=4 4116 B10R0.85 COCSC(OC)C(=O)OC 62a_100000766300_100000101307 [0,2,0,0,0,0|2,0,0]=4 4117 B10R0.124 CCCCC(C)(C)C(=O)CC 1458a_100011216040_100000210202 [0,2,0,0,0,0|1,0,0]=3 4118 B10R0.124 CCCCC(C)(C)C(=O)CF 1458a_100011216040_100015361967 [0,2,0,0,0,0|1,0,0]=3 4119 B10R0.124 CCCCC(C)(C)C(=O)NC 11a_106832991635_100011216040 [0,2,0,0,0,0|1,0,0]=3 4120 B10R0.124 CCCCC(C)(C)C(=O)NC 1626a_100102657272_100011216040 [0,2,0,0,0,0|1,0,0]=3 4121 B10R0.124 CCCCC(C)(C)C(=O)NC 240690a_100102657272_100011216040 [0,2,0,0,0,0|1,0,0]=3 4122 B10R0.124 CCCCC(C)(C)C(=O)NC 527a_100102657272_100011216040 [0,2,0,0,0,0|1,0,0]=3 4123 B10R0.124 CCCCC(C)(O)C(=O)CC 1458a_100000137666_100000210202 [0,2,0,0,0,0|1,0,0]=3 4124 B10R0.124 CCCCC(C)(O)C(=O)CF 1458a_100000137666_100015361967 [0,2,0,0,0,0|1,0,0]=3 4125 B10R0.124 CCCCC(C)(O)C(=O)NC 240690a_100102657272_100000137666 [0,2,0,0,0,0|1,0,0]=3 4126 B10R0.124 CCCCC(F)(F)C(=O)CC 1458a_100000100317_100000210202 [0,2,0,0,0,0|2,0,0]=4 4127 B10R0.124 CCCCC(F)(F)C(=O)CF 1458a_100000100317_100015361967 [0,2,0,0,0,0|2,0,0]=4 4128 B10R0.124 CCCCC(F)(F)C(=O)NC 11a_106832991635_100000100317 [0,2,0,0,0,0|2,0,0]=4 4129 B10R0.124 CCCCC(F)(F)C(=O)NC 1626a_100102657272_100000100317 [0,2,0,0,0,0|2,0,0]=4 4130 B10R0.124 CCCCC(F)(F)C(=O)NC 240690a_100102657272_100000100317 [0,2,0,0,0,0|2,0,0]=4 4131 B10R0.124 CCCCC(F)(F)C(=O)NC 527a_100102657272_100000100317 [0,2,0,0,0,0|2,0,0]=4 4132 B10R0.124 CCCOC(C)(C)C(=O)NC 34a_100000210258_100000732697 [0,2,0,0,0,0|2,0,0]=4 4133 B10R0.124 CCCOC(C)(C)C(=O)NN 34a_100000061348_100000210303 [0,2,0,0,0,0|2,0,0]=4 4134 B10R0.124 CCCOC(C)(C)C(=O)OC 34a_100011217581_100000210303 [0,2,0,0,0,0|1,0,0]=3 4135 B10R0.124 CCCOC(C)(C)C(=O)OC 7a_100011217581_100000210303 [0,2,0,0,0,0|1,0,0]=3 4136 B10R0.124 CCCOC(C)(F)C(=O)OC 34a_100000210258_200009867631 [0,2,0,0,0,0|1,0,0]=3 4137 B10R0.124 CCCOC(F)(F)C(=O)OC 34a_100000210258_100000211177 [0,2,0,0,0,0|2,0,0]=4 4138 B10R0.124 CCCSC(C)(C)C(=O)NC 62a_100000210303_100000732697 [0,2,0,0,0,0|2,0,0]=4 4139 B10R0.124 CCCSC(C)(C)C(=O)NC 62a_100000732697_100000210303 [0,2,0,0,0,0|2,0,0]=4 4140 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000210303_100000689032 [0,2,0,0,0,0|1,0,0]=3 4141 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000689032_100000210303 [0,2,0,0,0,0|1,0,0]=3 4142 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_100000210303_200009867631 [0,2,0,0,0,0|1,0,0]=3 4143 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_200009867631_100000210303 [0,2,0,0,0,0|1,0,0]=3 4144 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000210303_100000211177 [0,2,0,0,0,0|2,0,0]=4 4145 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000211177_100000210303 [0,2,0,0,0,0|2,0,0]=4 4146 B10R0.124 CCOCC(C)(C)C(=O)NC 34a_100121572206_100000702813 [0,2,0,0,0,0|2,0,0]=4 4147 B10R0.124 CCOCC(C)(C)C(=O)OC 34a_100000709632_100000210202 [0,2,0,0,0,0|1,0,0]=3 4148 B10R0.124 CCOCC(C)(C)C(=O)OC 7a_100000709632_100000210202 [0,2,0,0,0,0|1,0,0]=3 4149 B10R0.124 CCOCC(F)(F)C(=O)OC 34a_100121572206_100010295740 [0,2,0,0,0,0|2,0,0]=4 4150 B10R0.124 CCSCC(C)(C)C(=O)NC 62a_100000210202_100000702813 [0,2,0,0,0,0|2,0,0]=4 4151 B10R0.124 CCSCC(C)(C)C(=O)NC 62a_100000702813_100000210202 [0,2,0,0,0,0|2,0,0]=4 4152 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000210202_100000684552 [0,2,0,0,0,0|1,0,0]=3 4153 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000684552_100000210202 [0,2,0,0,0,0|1,0,0]=3 4154 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100000210202_100010295740 [0,2,0,0,0,0|2,0,0]=4 4155 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100010295740_100000210202 [0,2,0,0,0,0|2,0,0]=4 4156 B10R0.124 COC(=O)C(C)(C)COCF 34a_100000709632_100015361967 [0,2,0,0,0,0|2,0,0]=4 4157 B10R0.124 COC(=O)C(C)(C)COCF 7a_100000709632_100015361967 [0,2,0,0,0,0|2,0,0]=4 4158 B10R0.124 COC(=O)C(C)(C)CSCF 62a_100000684552_100015361967 [0,2,0,0,0,0|2,0,0]=4 4159 B10R0.124 COC(=O)C(C)(C)CSCF 62a_100015361967_100000684552 [0,2,0,0,0,0|2,0,0]=4 4160 B10R0.124 COC(=O)C(C)(C)NCCO 2230a_100016997473_100000689032 [0,2,0,0,0,0|2,0,0]=4 4161 B10R0.124 COC(=O)C(C)(C)OCCF 34a_100011217581_100011217306 [0,2,0,0,0,0|2,0,0]=4 4162 B10R0.124 COC(=O)C(C)(C)OCCF 7a_100011217581_100011217306 [0,2,0,0,0,0|2,0,0]=4 4163 B10R0.124 COC(=O)C(C)(C)OCCO 34a_100011217581_100000211926 [0,2,0,0,0,0|2,0,0]=4 4164 B10R0.124 COC(=O)C(C)(C)OCCO 7a_100011217581_100000211926 [0,2,0,0,0,0|2,0,0]=4 4165 B10R0.124 COC(=O)C(C)(C)OCSC 34a_100011217581_100011218213 [0,2,0,0,0,0|2,0,0]=4 4166 B10R0.124 COC(=O)C(C)(C)SCCF 62a_100000689032_100011217306 [0,2,0,0,0,0|2,0,0]=4 4167 B10R0.124 COC(=O)C(C)(C)SCCF 62a_100011217306_100000689032 [0,2,0,0,0,0|2,0,0]=4 4168 B10R0.124 COC(=O)C(C)(C)SCCO 62a_100000211926_100000689032 [0,2,0,0,0,0|2,0,0]=4 4169 B10R0.124 COC(=O)C(C)(C)SCCO 62a_100000689032_100000211926 [0,2,0,0,0,0|2,0,0]=4 4170 B10R0.124 COC(=O)C(C)(C)SCSC 62a_100000689032_100011218213 [0,2,0,0,0,0|2,0,0]=4 4171 B10R0.124 COC(=O)C(C)(C)SCSC 62a_100011218213_100000689032 [0,2,0,0,0,0|2,0,0]=4 4172 B10R0.124 COC(=O)C(C)(F)NCCF 34a_100000724931_200009867631 [0,2,0,0,0,0|2,0,0]=4 4173 B10R0.124 COC(=O)C(C)(F)NCCO 2230a_100016997473_200009867631 [0,2,0,0,0,0|2,0,0]=4 4174 B10R0.124 COC(=O)C(C)(F)NCCO 34a_100016990907_200009867631 [0,2,0,0,0,0|2,0,0]=4 4175 B10R0.124 COC(=O)C(C)(F)OCCBr 34a_100000211926_200009867631 [0,2,0,0,0,0|2,0,0]=4 4176 B10R0.124 COC(=O)C(C)(F)OCCN 34a_100000210304_200009867631 [0,2,0,0,0,0|2,0,0]=4 4177 B10R0.124 COC(=O)C(C)(F)SCCF 62a_100011217306_200009867631 [0,2,0,0,0,0|2,0,0]=4 4178 B10R0.124 COC(=O)C(C)(F)SCCF 62a_200009867631_100011217306 [0,2,0,0,0,0|2,0,0]=4 4179 B10R0.124 COC(=O)C(C)(F)SCCO 62a_100000211926_200009867631 [0,2,0,0,0,0|2,0,0]=4 4180 B10R0.124 COC(=O)C(C)(F)SCCO 62a_200009867631_100000211926 [0,2,0,0,0,0|2,0,0]=4 4181 B10R0.124 COC(=O)C(C)(F)SCSC 62a_100011218213_200009867631 [0,2,0,0,0,0|2,0,0]=4 4182 B10R0.124 COC(=O)C(C)(F)SCSC 62a_200009867631_100011218213 [0,2,0,0,0,0|2,0,0]=4 4183 B10R0.124 COCSC(C)(C)C(=O)OC 62a_100000689032_100000766300 [0,2,0,0,0,0|2,0,0]=4 4184 B10R0.124 COCSC(C)(C)C(=O)OC 62a_100000766300_100000689032 [0,2,0,0,0,0|2,0,0]=4 4185 B10R0.124 COCSC(C)(F)C(=O)OC 62a_100000766300_200009867631 [0,2,0,0,0,0|2,0,0]=4 4186 B10R0.124 COCSC(C)(F)C(=O)OC 62a_200009867631_100000766300 [0,2,0,0,0,0|2,0,0]=4 4187 B10R0.17 CC(C)[C@@H](NCCF)C(=O)O 269956a_100000745019_100011217306 [0,2,0,0,0,0|2,0,0]=4 4188 B10R0.17 CC(C)[C@@H](NCCO)C(=O)O 269956a_100000745019_100000211926 [0,2,0,0,0,0|2,0,0]=4 4189 B10R0.17 CC(O)C(NCCF)C(=O)O 269956a_100000185852_100011217306 [0,2,0,0,0,0|2,0,0]=4 4190 B10R0.17 CC(O)C(NCCO)C(=O)O 269956a_100000185852_100000211926 [0,2,0,0,0,0|2,0,0]=4 4191 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [0,2,0,0,0,0|1,0,0]=3 4192 B10R0.17 CCCCC(C(=O)N)N(C)C 2230a_100102631434_100000748834 [0,2,0,0,0,0|1,0,0]=3 4193 B10R0.17 CCCCC(C(=O)N)N(C)C 269982a_100102631434_100000748834 [0,2,0,0,0,0|1,0,0]=3 4194 B10R0.17 CCCCN(C(=O)C)C(C)C 11a_100000207398_100015343762 [0,2,0,0,0,0|2,0,0]=4 4195 B10R0.17 CCCCN(C(=O)C)C(C)C 1626a_100000207398_100015343762 [0,2,0,0,0,0|2,0,0]=4 4196 B10R0.17 CCCCN(C(=O)C)C(C)C 240690a_100000207398_100015343762 [0,2,0,0,0,0|2,0,0]=4 4197 B10R0.17 CCCCN(C(=O)C)C(C)C 527a_100000207398_100103153847 [0,2,0,0,0,0|2,0,0]=4 4198 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [0,2,0,0,0,0|1,0,0]=3 4199 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [0,2,0,0,0,0|1,0,0]=3 4200 B10R0.17 CCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210303 [0,2,0,0,0,0|2,0,0]=4 4201 B10R0.17 CCCOC(C(=O)N)C(C)C 34a_100000210258_100000230017 [0,2,0,0,0,0|2,0,0]=4 4202 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210303_100000210371 [0,2,0,0,0,0|2,0,0]=4 4203 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210303 [0,2,0,0,0,0|2,0,0]=4 4204 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000210303_100000230017 [0,2,0,0,0,0|2,0,0]=4 4205 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000230017_100000210303 [0,2,0,0,0,0|2,0,0]=4 4206 B10R0.17 COCNC(C(=O)O)C(C)O 269956a_100000185852_100000766300 [0,2,0,0,0,0|2,0,0]=4 4207 B10R0.17 COCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000766300 [0,2,0,0,0,0|2,0,0]=4 4208 B10R0.17 CSCNC(C(=O)O)C(C)O 269956a_100000185852_100011218213 [0,2,0,0,0,0|2,0,0]=4 4209 B10R0.17 CSCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100011218213 [0,2,0,0,0,0|2,0,0]=4 4210 B10R0.53 C=C[C@H](NC(C)CC)C(=O)O 269956a_100016992060_100000758301 [0,2,0,0,0,0|1,0,1]=4 4211 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000209981_100000750255 [0,2,0,0,0,0|2,0,0]=4 4212 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000733705_100000758301 [0,2,0,0,0,0|2,0,0]=4 4213 B10R0.53 CCC(C)NC(CC)C(=O)N 34a_100000733705_100011215416 [0,2,0,0,0,0|2,0,0]=4 4214 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,2,0,0,0,0|1,0,0]=3 4215 B10R0.53 CCC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000758301 [0,2,0,0,0,0|2,0,0]=4 4216 B10R0.53 CCC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100011215416 [0,2,0,0,0,0|2,0,0]=4 4217 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,2,0,0,0,0|1,0,0]=3 4218 B10R0.53 CCC(C)OC(CC)C(=O)N 7a_100000210228_100000750255 [0,2,0,0,0,0|2,0,0]=4 4219 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000750255_100000758301 [0,2,0,0,0,0|2,0,0]=4 4220 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000758301_100000750255 [0,2,0,0,0,0|2,0,0]=4 4221 B10R0.53 CCC(O)CN(CC)C(=O)C 11a_100011365200_100015343762 [0,2,0,0,0,0|2,0,0]=4 4222 B10R0.53 CCC(O)CN(CC)C(=O)C 1626a_100011365200_100015343762 [0,2,0,0,0,0|2,0,0]=4 4223 B10R0.53 CCC(O)CN(CC)C(=O)C 240690a_100011365200_100015343762 [0,2,0,0,0,0|2,0,0]=4 4224 B10R0.53 CCC(O)CN(CC)C(=O)C 527a_100011365200_100103153847 [0,2,0,0,0,0|2,0,0]=4 4225 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [0,2,0,0,0,0|2,0,0]=4 4226 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 4227 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [0,2,0,0,0,0|2,0,0]=4 4228 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,2,0,0,0,0|2,0,0]=4 4229 B10R0.86 C#CCCNC(CO)C(=O)O 269956a_100000187304_100000688953 [0,2,0,0,0,0|0,0,2]=4 4230 B10R0.86 C#CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000688953 [0,2,0,0,0,0|0,0,2]=4 4231 B10R0.86 C/C=C/CNC(CO)C(=O)O 269956a_100000187304_100102629194 [0,2,0,0,0,0|0,0,2]=4 4232 B10R0.86 C/C=C/CN[C@H](CC)C(=O)O 269956a_100000747097_100102629194 [0,2,0,0,0,0|0,0,2]=4 4233 B10R0.86 C=CCCNC(CO)C(=O)O 269956a_100000187304_100000754431 [0,2,0,0,0,0|0,0,2]=4 4234 B10R0.86 C=CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000754431 [0,2,0,0,0,0|0,0,2]=4 4235 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,2,0,0,0,0|0,0,1]=3 4236 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,2,0,0,0,0|1,0,1]=4 4237 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,2,0,0,0,0|1,0,1]=4 4238 B10R0.86 C=C[C@H](NCCOC)C(=O)O 269956a_100016992060_100000233755 [0,2,0,0,0,0|1,0,1]=4 4239 B10R0.86 C=C[C@H](NCCSC)C(=O)O 269956a_100016992060_100000212216 [0,2,0,0,0,0|1,0,1]=4 4240 B10R0.86 C=C[C@H](NCOCC)C(=O)O 269956a_100016992060_100000739092 [0,2,0,0,0,0|1,0,1]=4 4241 B10R0.86 CC#CCNC(CO)C(=O)O 269956a_100000187304_100000748600 [0,2,0,0,0,0|0,0,2]=4 4242 B10R0.86 CC#CCN[C@H](CC)C(=O)O 269956a_100000747097_100000748600 [0,2,0,0,0,0|0,0,2]=4 4243 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100000733705_100011934791 [0,2,0,0,0,0|2,0,0]=4 4244 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100015189416_100000750255 [0,2,0,0,0,0|2,0,0]=4 4245 B10R0.86 CCC(NCCCF)C(=O)N 34a_100000733705_100011934791 [0,2,0,0,0,0|2,0,0]=4 4246 B10R0.86 CCC(NCCCF)C(=O)N 34a_100015189416_100000750255 [0,2,0,0,0,0|2,0,0]=4 4247 B10R0.86 CCC(NCCCO)C(=O)N 2230a_100000733705_100000230001 [0,2,0,0,0,0|2,0,0]=4 4248 B10R0.86 CCC(NCCCO)C(=O)N 34a_100000733705_100000230001 [0,2,0,0,0,0|2,0,0]=4 4249 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000209980_100000750255 [0,2,0,0,0,0|2,0,0]=4 4250 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000733705_100011201679 [0,2,0,0,0,0|2,0,0]=4 4251 B10R0.86 CCC(NCCOC)C(=O)N 34a_100000733705_100011201679 [0,2,0,0,0,0|2,0,0]=4 4252 B10R0.86 CCC(NCCSC)C(=O)N 2230a_100000733705_100000751147 [0,2,0,0,0,0|2,0,0]=4 4253 B10R0.86 CCC(NCCSC)C(=O)N 2230a_100020590264_100000750255 [0,2,0,0,0,0|2,0,0]=4 4254 B10R0.86 CCC(NCCSC)C(=O)N 34a_100000733705_100000212216 [0,2,0,0,0,0|2,0,0]=4 4255 B10R0.86 CCC(OCCCBr)C(=O)N 34a_100011217188_100000750255 [0,2,0,0,0,0|2,0,0]=4 4256 B10R0.86 CCC(OCCCCl)C(=O)N 34a_100000230001_100000750255 [0,2,0,0,0,0|2,0,0]=4 4257 B10R0.86 CCC(OCCCF)C(=O)N 34a_100000759539_100000750255 [0,2,0,0,0,0|2,0,0]=4 4258 B10R0.86 CCC(OCCCN)C(=O)N 34a_100000182051_100000750255 [0,2,0,0,0,0|2,0,0]=4 4259 B10R0.86 CCC(OCCOC)C(=O)N 34a_100000210237_100000750255 [0,2,0,0,0,0|2,0,0]=4 4260 B10R0.86 CCC(OCCSC)C(=O)N 34a_100000230434_100000750255 [0,2,0,0,0,0|2,0,0]=4 4261 B10R0.86 CCC(OCCSC)C(=O)N 7a_100000230434_100000750255 [0,2,0,0,0,0|2,0,0]=4 4262 B10R0.86 CCC(SCCCF)C(=O)N 62a_100000750255_100011934791 [0,2,0,0,0,0|2,0,0]=4 4263 B10R0.86 CCC(SCCCF)C(=O)N 62a_100011934791_100000750255 [0,2,0,0,0,0|2,0,0]=4 4264 B10R0.86 CCC(SCCCO)C(=O)N 62a_100000750255_100011215043 [0,2,0,0,0,0|2,0,0]=4 4265 B10R0.86 CCC(SCCCO)C(=O)N 62a_100011215043_100000750255 [0,2,0,0,0,0|2,0,0]=4 4266 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000233755_100000750255 [0,2,0,0,0,0|2,0,0]=4 4267 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000750255_100000233755 [0,2,0,0,0,0|2,0,0]=4 4268 B10R0.86 CCC(SCCSC)C(=O)N 62a_100000212216_100000750255 [0,2,0,0,0,0|2,0,0]=4 4269 B10R0.86 CCC(SCCSC)C(=O)N 62a_100000750255_100000751147 [0,2,0,0,0,0|2,0,0]=4 4270 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|1,0,0]=3 4271 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|1,0,0]=3 4272 B10R0.86 CCCCNC(C#N)C(=O)N 2230a_100000039599_100000210211 [0,2,0,0,0,0|1,0,1]=4 4273 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,2,0,0,0,0|1,0,0]=3 4274 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,2,0,0,0,0|1,0,0]=3 4275 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,2,0,0,0,0|1,0,0]=3 4276 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,2,0,0,0,0|1,0,0]=3 4277 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,2,0,0,0,0|0,0,0]=2 4278 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210211 [0,2,0,0,0,0|1,0,1]=4 4279 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210210 [0,2,0,0,0,0|1,0,1]=4 4280 B10R0.86 CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210211 [0,2,0,0,0,0|1,0,0]=3 4281 B10R0.86 CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|1,0,0]=3 4282 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,0,0,0,0|0,0,0]=2 4283 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210211 [0,2,0,0,0,0|1,0,1]=4 4284 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210210 [0,2,0,0,0,0|1,0,1]=4 4285 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,2,0,0,0,0|1,0,0]=3 4286 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,2,0,0,0,0|1,0,0]=3 4287 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,2,0,0,0,0|1,0,0]=3 4288 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,2,0,0,0,0|1,0,0]=3 4289 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,2,0,0,0,0|2,0,0]=4 4290 B10R0.86 CCOCNC(CO)C(=O)O 269956a_100000187304_100000739092 [0,2,0,0,0,0|1,0,0]=3 4291 B10R0.86 CCOCN[C@H](CC)C(=O)O 269956a_100000747097_100000739092 [0,2,0,0,0,0|1,0,0]=3 4292 B10R0.86 CCOCSC(CC)C(=O)N 62a_100000739092_100000750255 [0,2,0,0,0,0|2,0,0]=4 4293 B10R0.86 CCOCSC(CC)C(=O)N 62a_100000750255_100000739092 [0,2,0,0,0,0|2,0,0]=4 4294 B10R0.86 CC[C@@H](NCCC#N)C(=O)O 269956a_100000747097_100011215226 [0,2,0,0,0,0|1,0,1]=4 4295 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,2,0,0,0,0|1,0,0]=3 4296 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,2,0,0,0,0|1,0,0]=3 4297 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [0,2,0,0,0,0|1,0,0]=3 4298 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [0,2,0,0,0,0|1,0,0]=3 4299 B10R0.86 COCCNC(CO)C(=O)O 269956a_100000187304_100000233755 [0,2,0,0,0,0|1,0,0]=3 4300 B10R0.86 COCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011201679 [0,2,0,0,0,0|2,0,0]=4 4301 B10R0.86 COCCN[C@@H](CO)C(=O)N 34a_100000729942_100011201679 [0,2,0,0,0,0|2,0,0]=4 4302 B10R0.86 CSCCNC(CO)C(=O)O 269956a_100000187304_100000212216 [0,2,0,0,0,0|1,0,0]=3 4303 B10R0.86 CSCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000751147 [0,2,0,0,0,0|2,0,0]=4 4304 B10R0.86 CSCCN[C@@H](CO)C(=O)N 34a_100000729942_100000212216 [0,2,0,0,0,0|2,0,0]=4 4305 B10R0.86 N#CCCNC(CO)C(=O)O 269956a_100000187304_100011215226 [0,2,0,0,0,0|1,0,1]=4 4306 B10R0.86 NC(=O)[C@H](CO)NCCCF 2230a_100000729942_100011934791 [0,2,0,0,0,0|2,0,0]=4 4307 B10R0.86 NC(=O)[C@H](CO)NCCCF 34a_100000729942_100011934791 [0,2,0,0,0,0|2,0,0]=4 4308 B10R0.86 NC(=O)[C@H](CO)NCCCO 2230a_100000729942_100000230001 [0,2,0,0,0,0|2,0,0]=4 4309 B10R0.86 NC(=O)[C@H](CO)NCCCO 34a_100000729942_100000230001 [0,2,0,0,0,0|2,0,0]=4 4310 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,2,0,0,0,0|1,0,0]=3 4311 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,2,0,0,0,0|1,0,0]=3 4312 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,2,0,0,0,0|1,0,0]=3 4313 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,2,0,0,0,0|1,0,0]=3 4314 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [0,2,0,0,0,0|1,0,0]=3 4315 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [0,2,0,0,0,0|1,0,0]=3 4316 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [0,2,0,0,0,0|1,0,0]=3 4317 B10R0.88 CCCCC(SCF)C(=O)N 62a_100000748834_100015361967 [0,2,0,0,0,0|1,0,0]=3 4318 B10R0.88 CCCCC(SCF)C(=O)N 62a_100015361967_100000748834 [0,2,0,0,0,0|1,0,0]=3 4319 B10R0.88 CCCCN(CC#N)C(=O)C 11a_200011192266_100015343762 [0,2,0,0,0,0|2,0,0]=4 4320 B10R0.88 CCCCN(CC#N)C(=O)C 1626a_200011192266_100015343762 [0,2,0,0,0,0|2,0,0]=4 4321 B10R0.88 CCCCN(CC#N)C(=O)C 240690a_200011192266_100015343762 [0,2,0,0,0,0|2,0,0]=4 4322 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [0,2,0,0,0,0|2,0,0]=4 4323 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [0,2,0,0,0,0|2,0,0]=4 4324 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [0,2,0,0,0,0|2,0,0]=4 4325 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [0,2,0,0,0,0|2,0,0]=4 4326 B10R0.88 CCCCN(CCO)C(=O)C 240690a_100000198060_100015343762 [0,2,0,0,0,0|2,0,0]=4 4327 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,2,0,0,0,0|1,0,0]=3 4328 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,2,0,0,0,0|1,0,0]=3 4329 B10R0.88 CCCC[C@H](NCF)C(=O)N 34a_100000124899_100015361967 [0,2,0,0,0,0|1,0,0]=3 4330 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [0,2,0,0,0,0|2,0,0]=4 4331 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [0,2,0,0,0,0|2,0,0]=4 4332 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,2,0,0,0,0|1,0,0]=3 4333 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [0,2,0,0,0,0|1,0,0]=3 4334 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [0,2,0,0,0,0|1,0,0]=3 4335 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [0,2,0,0,0,0|1,0,0]=3 4336 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [0,2,0,0,0,0|2,0,0]=4 4337 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [0,2,0,0,0,0|2,0,0]=4 4338 B10R0.88 CCC[C@H](NCCF)C(=O)O 269956a_100000750406_100011217306 [0,2,0,0,0,0|2,0,0]=4 4339 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [0,2,0,0,0,0|2,0,0]=4 4340 B10R0.88 CCC[C@H](NCOC)C(=O)O 269956a_100000750406_100000766300 [0,2,0,0,0,0|2,0,0]=4 4341 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [0,2,0,0,0,0|2,0,0]=4 4342 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [0,2,0,0,0,0|2,0,0]=4 4343 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [0,2,0,0,0,0|2,0,0]=4 4344 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,2,0,0,0,0|1,0,0]=3 4345 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,2,0,0,0,0|1,0,0]=3 4346 B10R0.88 COCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000766300 [0,2,0,0,0,0|2,0,0]=4 4347 B10R0.88 COCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766300 [0,2,0,0,0,0|2,0,0]=4 4348 B10R0.88 COCN[C@H](COC)C(=O)O 269956a_100011998655_100000766300 [0,2,0,0,0,0|2,0,0]=4 4349 B10R0.88 COC[C@@H](NCCF)C(=O)O 269956a_100011998655_100011217306 [0,2,0,0,0,0|2,0,0]=4 4350 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [0,2,0,0,0,0|2,0,0]=4 4351 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [0,2,0,0,0,0|2,0,0]=4 4352 B10R0.88 CSCC[C@H](NCF)C(=O)N 34a_100000119342_100015361967 [0,2,0,0,0,0|2,0,0]=4 4353 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,2,0,0,0,0|1,0,0]=3 4354 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [0,2,0,0,0,0|2,0,0]=4 4355 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [0,2,0,0,0,0|2,0,0]=4 4356 B10R0.88 CSC[C@H](NCCF)C(=O)O 269956a_100011421858_100011217306 [0,2,0,0,0,0|2,0,0]=4 4357 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [0,2,0,0,0,0|2,0,0]=4 4358 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,2,0,0,0,0|1,0,0]=3 4359 B10R0.88 C[Se]C[C@H](NCCF)C(=O)O 269956a_100015254316_100011217306 [0,2,0,0,0,0|2,0,0]=4 4360 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [0,2,0,0,0,0|2,0,0]=4 4361 B10R0.133 CCC(C)(NCCF)C(=O)O 269956a_100025756313_100011217306 [0,2,0,0,0,0|2,0,0]=4 4362 B10R0.133 CCC(C)(NCCO)C(=O)O 269956a_100025756313_100000211926 [0,2,0,0,0,0|2,0,0]=4 4363 B10R0.133 CCC(C)(NCOC)C(=O)O 269956a_100025756313_100000766300 [0,2,0,0,0,0|2,0,0]=4 4364 B10R0.133 CCC(C)(NCSC)C(=O)O 269956a_100025756313_100011218213 [0,2,0,0,0,0|2,0,0]=4 4365 B10R0.133 CCCNC(C)(CC)C(=O)O 269956a_100025756313_100000210207 [0,2,0,0,0,0|1,0,0]=3 4366 B10R0.26 C=C(C)C(C)NC(C)CCC 269862a_100000741246_100011216138 [0,2,0,0,0,0|2,0,0]=4 4367 B10R0.26 CC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100009814033 [0,2,0,0,0,0|2,0,0]=4 4368 B10R0.26 CC(=O)C(C)OC(C)CCO 34a_100000212229_100009893172 [0,2,0,0,0,0|2,0,0]=4 4369 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009814033_100009893172 [0,2,0,0,0,0|2,0,0]=4 4370 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009893172_100009814033 [0,2,0,0,0,0|2,0,0]=4 4371 B10R0.26 CC(CC#N)N[C@@H](C)C(=O)O 269956a_100000743915_100009813641 [0,2,0,0,0,0|1,0,1]=4 4372 B10R0.26 CC(CCBr)OC(C)C(=O)N 34a_100012276601_100000702099 [0,2,0,0,0,0|2,0,0]=4 4373 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,2,0,0,0,0|1,0,0]=3 4374 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 2230a_100000119354_100009893172 [0,2,0,0,0,0|2,0,0]=4 4375 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 34a_100000119354_100009893172 [0,2,0,0,0,0|2,0,0]=4 4376 B10R0.26 CC(CCO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100009893172 [0,2,0,0,0,0|1,0,1]=4 4377 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 34a_100000731257_100009893172 [0,2,0,0,0,0|2,0,0]=4 4378 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 7a_100000731257_100009893172 [0,2,0,0,0,0|2,0,0]=4 4379 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100000702099_100009893172 [0,2,0,0,0,0|2,0,0]=4 4380 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100009893172_100000702099 [0,2,0,0,0,0|2,0,0]=4 4381 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 2230a_100000706166_100000702099 [0,2,0,0,0,0|2,0,0]=4 4382 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 34a_100000706166_100000702099 [0,2,0,0,0,0|2,0,0]=4 4383 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,2,0,0,0,0|2,0,0]=4 4384 B10R0.26 CCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210303 [0,2,0,0,0,0|2,0,0]=4 4385 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,2,0,0,0,0|1,0,1]=4 4386 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,2,0,0,0,0|1,0,1]=4 4387 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000211992 [0,2,0,0,0,0|1,0,1]=4 4388 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000211992 [0,2,0,0,0,0|1,0,1]=4 4389 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000211992 [0,2,0,0,0,0|1,0,1]=4 4390 B10R0.26 CCCC(C)NC(C)C(=O)C 2230a_100000741246_100009814033 [0,2,0,0,0,0|1,0,0]=3 4391 B10R0.26 CCCC(C)NC(C)C(=O)N 2230a_100000741246_100000702099 [0,2,0,0,0,0|1,0,0]=3 4392 B10R0.26 CCCC(C)NC(F)C(=O)N 2230a_100000741246_100009813875 [0,2,0,0,0,0|2,0,0]=4 4393 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|0,0,0]=2 4394 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000766640 [0,2,0,0,0,0|1,0,0]=3 4395 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000211909 [0,2,0,0,0,0|1,0,0]=3 4396 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 34a_100000119354_100000766640 [0,2,0,0,0,0|1,0,0]=3 4397 B10R0.26 CCCC(C)OC(C)C(=O)C 34a_100000212229_100000766640 [0,2,0,0,0,0|1,0,0]=3 4398 B10R0.26 CCCC(C)OC(C)C(=O)C 7a_100000764384_100000179758 [0,2,0,0,0,0|1,0,0]=3 4399 B10R0.26 CCCC(C)OC(C)C(=O)N 34a_100000764384_100000702099 [0,2,0,0,0,0|1,0,0]=3 4400 B10R0.26 CCCC(C)OC(C)C(=O)N 7a_100000764384_100000702099 [0,2,0,0,0,0|1,0,0]=3 4401 B10R0.26 CCCC(C)OC(F)C(=O)N 34a_100000764384_100009813875 [0,2,0,0,0,0|2,0,0]=4 4402 B10R0.26 CCCC(C)OC(F)C(=O)N 7a_100000764384_100009813875 [0,2,0,0,0,0|2,0,0]=4 4403 B10R0.26 CCCC(C)OC(F)C(=O)[O-] 34a_100000764384_100020610796 [0,2,0,0,0,0|1,0,1]=4 4404 B10R0.26 CCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000766640 [0,2,0,0,0,0|0,0,1]=3 4405 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000766640 [0,2,0,0,0,0|1,0,0]=3 4406 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000766640 [0,2,0,0,0,0|1,0,0]=3 4407 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100000766640_100009814033 [0,2,0,0,0,0|1,0,0]=3 4408 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100009814033_100000766640 [0,2,0,0,0,0|1,0,0]=3 4409 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000702099_100000766640 [0,2,0,0,0,0|1,0,0]=3 4410 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000766640_100000702099 [0,2,0,0,0,0|1,0,0]=3 4411 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100000766640_100009813875 [0,2,0,0,0,0|2,0,0]=4 4412 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100009813875_100000766640 [0,2,0,0,0,0|2,0,0]=4 4413 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100000766640_100020610796 [0,2,0,0,0,0|1,0,1]=4 4414 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000766640 [0,2,0,0,0,0|1,0,1]=4 4415 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,2,0,0,0,0|1,0,1]=4 4416 B10R0.26 CNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_200000210301 [0,2,0,0,0,0|1,0,1]=4 4417 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,2,0,0,0,0|1,0,0]=3 4418 B10R0.26 COCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000765312 [0,2,0,0,0,0|2,0,0]=4 4419 B10R0.26 COCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000749346 [0,2,0,0,0,0|2,0,0]=4 4420 B10R0.26 COCC(C)N[C@H](C)C(=O)N 34a_100000119354_100000765312 [0,2,0,0,0,0|2,0,0]=4 4421 B10R0.26 COCC(C)OC(C)C(=O)C 34a_100000212229_100000765312 [0,2,0,0,0,0|2,0,0]=4 4422 B10R0.26 COCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000765312 [0,2,0,0,0,0|1,0,1]=4 4423 B10R0.26 COCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000765312 [0,2,0,0,0,0|2,0,0]=4 4424 B10R0.26 COCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000765312 [0,2,0,0,0,0|2,0,0]=4 4425 B10R0.26 COCC(C)SC(C)C(=O)C 62a_100000765312_100009814033 [0,2,0,0,0,0|2,0,0]=4 4426 B10R0.26 COCC(C)SC(C)C(=O)C 62a_100009814033_100000765312 [0,2,0,0,0,0|2,0,0]=4 4427 B10R0.26 COCC(C)SC(C)C(=O)N 62a_100000702099_100000765312 [0,2,0,0,0,0|2,0,0]=4 4428 B10R0.26 COCC(C)SC(C)C(=O)N 62a_100000765312_100000702099 [0,2,0,0,0,0|2,0,0]=4 4429 B10R0.26 COCC(O)CN(C)C(=O)C 240690a_100000739405_100015343762 [0,2,0,0,0,0|2,0,0]=4 4430 B10R0.26 COCC(O)CN(C)C(=O)C 527a_100000739405_100103153847 [0,2,0,0,0,0|2,0,0]=4 4431 B10R0.26 COC[C@@H](C)NC(C)C(=O)C 2230a_100000764878_100009814033 [0,2,0,0,0,0|2,0,0]=4 4432 B10R0.26 COC[C@@H](C)NC(C)C(=O)N 2230a_100000764878_100000702099 [0,2,0,0,0,0|2,0,0]=4 4433 B10R0.26 COC[C@@H](C)OC(C)C(=O)N 34a_100011934205_100000702099 [0,2,0,0,0,0|2,0,0]=4 4434 B10R0.26 CSCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011216314 [0,2,0,0,0,0|2,0,0]=4 4435 B10R0.26 C[C@H](NC(=O)CN[13CH3])C(=O)O 269956a_100011417567_200025704644 [0,2,0,0,0,0|1,0,1]=4 4436 B10R0.47 CCC(C)NC(C)(C)C(=O)N 2230a_100000209981_100000702505 [0,2,0,0,0,0|2,0,0]=4 4437 B10R0.47 CCC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000758301 [0,2,0,0,0,0|2,0,0]=4 4438 B10R0.47 CCC(C)NC(C)(C)C(=O)N 34a_100000743658_100011215416 [0,2,0,0,0,0|2,0,0]=4 4439 B10R0.47 CCC(C)OC(C)(C)C(=O)C 34a_100000747739_100011215416 [0,2,0,0,0,0|2,0,0]=4 4440 B10R0.47 CCC(C)OC(C)(C)C(=O)C 7a_100000210228_100000075568 [0,2,0,0,0,0|2,0,0]=4 4441 B10R0.47 CCC(C)OC(C)(C)C(=O)C 7a_100000747739_100000758301 [0,2,0,0,0,0|2,0,0]=4 4442 B10R0.47 CCC(C)OC(C)(C)C(=O)N 34a_100011626353_100011215416 [0,2,0,0,0,0|2,0,0]=4 4443 B10R0.47 CCC(C)OC(C)(C)C(=O)N 7a_100000210228_100000702505 [0,2,0,0,0,0|2,0,0]=4 4444 B10R0.47 CCC(C)OC(C)(C)C(=O)N 7a_100011626353_100000758301 [0,2,0,0,0,0|2,0,0]=4 4445 B10R0.47 CCC(C)SC(C)(C)C(=O)C 62a_100000075568_100000758301 [0,2,0,0,0,0|2,0,0]=4 4446 B10R0.47 CCC(C)SC(C)(C)C(=O)C 62a_100000758301_100000075568 [0,2,0,0,0,0|2,0,0]=4 4447 B10R0.47 CCC(C)SC(C)(C)C(=O)N 62a_100000702505_100000758301 [0,2,0,0,0,0|2,0,0]=4 4448 B10R0.47 CCC(C)SC(C)(C)C(=O)N 62a_100000758301_100000702505 [0,2,0,0,0,0|2,0,0]=4 4449 B10R0.47 CCN(C)CC(C)(C)C(=O)N 269982a_100000225621_200009895572 [0,2,0,0,0,0|2,0,0]=4 4450 B10R0.67 CCC(C)(C)NC(C)C(=O)C 2230a_100000211385_100009814033 [0,2,0,0,0,0|2,0,0]=4 4451 B10R0.67 CCC(C)(C)NC(C)C(=O)N 2230a_100000211385_100000702099 [0,2,0,0,0,0|2,0,0]=4 4452 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,2,0,0,0,0|1,0,0]=3 4453 B10R0.67 CCC(C)(C)OC(C)C(=O)C 7a_100000210230_100000179758 [0,2,0,0,0,0|2,0,0]=4 4454 B10R0.67 CCC(C)(C)OC(C)C(=O)N 7a_100000210230_100000702099 [0,2,0,0,0,0|2,0,0]=4 4455 B10R0.67 CCC(C)(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210677 [0,2,0,0,0,0|1,0,1]=4 4456 B10R0.67 CCC(C)(C)O[C@H](C)C(=O)N 7a_100000731257_100000210677 [0,2,0,0,0,0|2,0,0]=4 4457 B10R0.67 CCC(C)(C)SC(C)C(=O)C 62a_100000032637_100009814033 [0,2,0,0,0,0|2,0,0]=4 4458 B10R0.67 CCC(C)(C)SC(C)C(=O)C 62a_100009814033_100000032637 [0,2,0,0,0,0|2,0,0]=4 4459 B10R0.67 CCC(C)(C)SC(C)C(=O)N 62a_100000032637_100000702099 [0,2,0,0,0,0|2,0,0]=4 4460 B10R0.67 CCC(C)(C)SC(C)C(=O)N 62a_100000702099_100000032637 [0,2,0,0,0,0|2,0,0]=4 4461 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 4462 B10R0.72 C#CC(CC)OC(C)C(=O)C 7a_100000758843_100000179758 [0,2,0,0,0,0|2,0,0]=4 4463 B10R0.72 C#CC(CC)OC(C)C(=O)N 34a_100000758843_100000702099 [0,2,0,0,0,0|2,0,0]=4 4464 B10R0.72 C#CC(CC)OC(C)C(=O)N 7a_100000758843_100000702099 [0,2,0,0,0,0|2,0,0]=4 4465 B10R0.72 C=CC(CC)OC(C)C(=O)C 7a_100000766422_100000179758 [0,2,0,0,0,0|2,0,0]=4 4466 B10R0.72 C=CC(CC)OC(C)C(=O)N 34a_100000766422_100000702099 [0,2,0,0,0,0|2,0,0]=4 4467 B10R0.72 C=CC(CC)OC(C)C(=O)N 7a_100000766422_100000702099 [0,2,0,0,0,0|2,0,0]=4 4468 B10R0.72 CCC(CC)NC(C)C(=O)C 2230a_100000199018_100009814033 [0,2,0,0,0,0|2,0,0]=4 4469 B10R0.72 CCC(CC)NC(C)C(=O)N 2230a_100000199018_100000702099 [0,2,0,0,0,0|2,0,0]=4 4470 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [0,2,0,0,0,0|1,0,0]=3 4471 B10R0.72 CCC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100000210860 [0,2,0,0,0,0|2,0,0]=4 4472 B10R0.72 CCC(CC)OC(C)C(=O)C 7a_100000688536_100000179758 [0,2,0,0,0,0|2,0,0]=4 4473 B10R0.72 CCC(CC)OC(C)C(=O)N 7a_100000688536_100000702099 [0,2,0,0,0,0|2,0,0]=4 4474 B10R0.72 CCC(CC)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210505 [0,2,0,0,0,0|1,0,1]=4 4475 B10R0.72 CCC(CC)O[C@H](C)C(=O)N 7a_100000731257_100000210505 [0,2,0,0,0,0|2,0,0]=4 4476 B10R0.72 CCC(CC)SC(C)C(=O)C 62a_100000210505_100009814033 [0,2,0,0,0,0|2,0,0]=4 4477 B10R0.72 CCC(CC)SC(C)C(=O)C 62a_100009814033_100000210505 [0,2,0,0,0,0|2,0,0]=4 4478 B10R0.72 CCC(CC)SC(C)C(=O)N 62a_100000210505_100000702099 [0,2,0,0,0,0|2,0,0]=4 4479 B10R0.72 CCC(CC)SC(C)C(=O)N 62a_100000702099_100000210505 [0,2,0,0,0,0|2,0,0]=4 4480 B10R0.72 CC[C@@H](CO)NC(C)C(=O)C 2230a_100000709445_100009814033 [0,2,0,0,0,0|2,0,0]=4 4481 B10R0.72 CC[C@@H](CO)NC(C)C(=O)N 2230a_100000709445_100000702099 [0,2,0,0,0,0|2,0,0]=4 4482 B10R0.42 C#CCNCC(C)(C)C(=O)O 269956a_100000693527_100000184674 [0,2,0,0,0,0|0,0,2]=4 4483 B10R0.42 C=CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210623 [0,2,0,0,0,0|0,0,2]=4 4484 B10R0.42 CC(=O)C(C)(C)OCCCF 34a_100000747739_100011934791 [0,2,0,0,0,0|2,0,0]=4 4485 B10R0.42 CC(=O)C(C)(C)OCCCF 7a_100000747739_100011934791 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.42 CC(=O)C(C)(C)OCCCO 34a_100000747739_100000230001 [0,2,0,0,0,0|2,0,0]=4 4487 B10R0.42 CC(=O)C(C)(C)OCCCO 7a_100000747739_100011215043 [0,2,0,0,0,0|2,0,0]=4 4488 B10R0.42 CC(=O)C(C)(C)SCCCF 62a_100000075568_100011934791 [0,2,0,0,0,0|2,0,0]=4 4489 B10R0.42 CC(=O)C(C)(C)SCCCF 62a_100011934791_100000075568 [0,2,0,0,0,0|2,0,0]=4 4490 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100000075568_100011215043 [0,2,0,0,0,0|2,0,0]=4 4491 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100011215043_100000075568 [0,2,0,0,0,0|2,0,0]=4 4492 B10R0.42 CC(C)(CNCC#N)C(=O)O 269956a_100000693527_100011215382 [0,2,0,0,0,0|1,0,1]=4 4493 B10R0.42 CC(C)(CNCC=O)C(=O)O 269956a_100000693527_200015260668 [0,2,0,0,0,0|1,0,1]=4 4494 B10R0.42 CC(C)(CNCCF)C(=O)N 2230a_100000740840_100011217306 [0,2,0,0,0,0|2,0,0]=4 4495 B10R0.42 CC(C)(CNCCF)C(=O)N 34a_100000724931_200009895572 [0,2,0,0,0,0|2,0,0]=4 4496 B10R0.42 CC(C)(CNCCF)C(=O)N 34a_100000740840_100011217306 [0,2,0,0,0,0|2,0,0]=4 4497 B10R0.42 CC(C)(CNCCF)C(=O)O 269956a_100000693527_100011217306 [0,2,0,0,0,0|1,0,0]=3 4498 B10R0.42 CC(C)(CNCCO)C(=O)N 2230a_100000740840_100000211926 [0,2,0,0,0,0|2,0,0]=4 4499 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100000740840_100000211926 [0,2,0,0,0,0|2,0,0]=4 4500 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100016990907_200009895572 [0,2,0,0,0,0|2,0,0]=4 4501 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [0,2,0,0,0,0|1,0,0]=3 4502 B10R0.42 CC(C)(COCCBr)C(=O)N 34a_100000211926_200009895572 [0,2,0,0,0,0|2,0,0]=4 4503 B10R0.42 CC(C)(COCCN)C(=O)N 34a_100000210304_200009895572 [0,2,0,0,0,0|2,0,0]=4 4504 B10R0.42 CC(C)(CSCCF)C(=O)N 62a_100011217306_200009895572 [0,2,0,0,0,0|2,0,0]=4 4505 B10R0.42 CC(C)(CSCCF)C(=O)N 62a_200009895572_100011217306 [0,2,0,0,0,0|2,0,0]=4 4506 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_100000211926_200009895572 [0,2,0,0,0,0|2,0,0]=4 4507 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_200009895572_100000211926 [0,2,0,0,0,0|2,0,0]=4 4508 B10R0.42 CC(C)(NCCCF)C(=O)N 2230a_100000743658_100011934791 [0,2,0,0,0,0|2,0,0]=4 4509 B10R0.42 CC(C)(NCCCF)C(=O)N 2230a_100015189416_100000702505 [0,2,0,0,0,0|2,0,0]=4 4510 B10R0.42 CC(C)(NCCCF)C(=O)N 34a_100000743658_100011934791 [0,2,0,0,0,0|2,0,0]=4 4511 B10R0.42 CC(C)(NCCCF)C(=O)N 34a_100015189416_100000702505 [0,2,0,0,0,0|2,0,0]=4 4512 B10R0.42 CC(C)(NCCCO)C(=O)N 2230a_100000743658_100000230001 [0,2,0,0,0,0|2,0,0]=4 4513 B10R0.42 CC(C)(NCCCO)C(=O)N 34a_100000743658_100000230001 [0,2,0,0,0,0|2,0,0]=4 4514 B10R0.42 CC(C)(OCCCBr)C(=O)N 34a_100011217188_100000702505 [0,2,0,0,0,0|2,0,0]=4 4515 B10R0.42 CC(C)(OCCCCl)C(=O)N 34a_100000230001_100000702505 [0,2,0,0,0,0|2,0,0]=4 4516 B10R0.42 CC(C)(OCCCF)C(=O)N 34a_100000759539_100000702505 [0,2,0,0,0,0|2,0,0]=4 4517 B10R0.42 CC(C)(OCCCF)C(=O)N 34a_100011626353_100011934791 [0,2,0,0,0,0|2,0,0]=4 4518 B10R0.42 CC(C)(OCCCF)C(=O)N 7a_100011626353_100011934791 [0,2,0,0,0,0|2,0,0]=4 4519 B10R0.42 CC(C)(OCCCN)C(=O)N 34a_100000182051_100000702505 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.42 CC(C)(OCCCO)C(=O)N 34a_100011626353_100000230001 [0,2,0,0,0,0|2,0,0]=4 4521 B10R0.42 CC(C)(OCCCO)C(=O)N 7a_100011626353_100011215043 [0,2,0,0,0,0|2,0,0]=4 4522 B10R0.42 CC(C)(ONCCF)C(=O)O 269956a_100016989451_100011217306 [0,2,0,0,0,0|2,0,0]=4 4523 B10R0.42 CC(C)(ONCCO)C(=O)O 269956a_100016989451_100000211926 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.42 CC(C)(SCCCF)C(=O)N 62a_100000702505_100011934791 [0,2,0,0,0,0|2,0,0]=4 4525 B10R0.42 CC(C)(SCCCF)C(=O)N 62a_100011934791_100000702505 [0,2,0,0,0,0|2,0,0]=4 4526 B10R0.42 CC(C)(SCCCO)C(=O)N 62a_100000702505_100011215043 [0,2,0,0,0,0|2,0,0]=4 4527 B10R0.42 CC(C)(SCCCO)C(=O)N 62a_100011215043_100000702505 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.42 CCCCNC(C)(C)C(=O)C 7a_106832991798_100000075568 [0,2,0,0,0,0|1,0,0]=3 4529 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000102301_100000702505 [0,2,0,0,0,0|1,0,0]=3 4530 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210211 [0,2,0,0,0,0|1,0,0]=3 4531 B10R0.42 CCCCNC(C)(C)C(=O)N 34a_100000743658_100000210210 [0,2,0,0,0,0|1,0,0]=3 4532 B10R0.42 CCCCNC(C)(C)C(=O)N 7a_106832991798_100000702505 [0,2,0,0,0,0|1,0,0]=3 4533 B10R0.42 CCCCNC(F)(F)C(=O)N 7a_106832991798_100009811971 [0,2,0,0,0,0|2,0,0]=4 4534 B10R0.42 CCCCOC(C)(C)C(=O)C 34a_100000747739_100000210210 [0,2,0,0,0,0|1,0,0]=3 4535 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000210227_100000075568 [0,2,0,0,0,0|1,0,0]=3 4536 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000747739_100000210211 [0,2,0,0,0,0|1,0,0]=3 4537 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100000210227_100000702505 [0,2,0,0,0,0|1,0,0]=3 4538 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100011626353_100000210210 [0,2,0,0,0,0|1,0,0]=3 4539 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100000210227_100000702505 [0,2,0,0,0,0|1,0,0]=3 4540 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100011626353_100000210211 [0,2,0,0,0,0|1,0,0]=3 4541 B10R0.42 CCCCOC(F)(F)C(=O)N 7a_100000210227_100009811971 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.42 CCCCOC(F)(F)C(=O)[O-] 34a_100000210227_100020612412 [0,2,0,0,0,0|1,0,1]=4 4543 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000075568_100000210210 [0,2,0,0,0,0|1,0,0]=3 4544 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000210211_100000075568 [0,2,0,0,0,0|1,0,0]=3 4545 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000210211_100000702505 [0,2,0,0,0,0|1,0,0]=3 4546 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000702505_100000210210 [0,2,0,0,0,0|1,0,0]=3 4547 B10R0.42 CCCCSC(C)(C)[N+](=O)[O-] 62a_100000210211_200009813997 [0,2,0,0,0,0|1,0,1]=4 4548 B10R0.42 CCCCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210210 [0,2,0,0,0,0|1,0,1]=4 4549 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100000210211_100009811971 [0,2,0,0,0,0|2,0,0]=4 4550 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100009811971_100000210210 [0,2,0,0,0,0|2,0,0]=4 4551 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000210211_100000745680 [0,2,0,0,0,0|1,0,1]=4 4552 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210210 [0,2,0,0,0,0|1,0,1]=4 4553 B10R0.42 CCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210303 [0,2,0,0,0,0|1,0,0]=3 4554 B10R0.42 CCCNCC(C)(C)C(=O)N 34a_100000740840_100000210303 [0,2,0,0,0,0|1,0,0]=3 4555 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,2,0,0,0,0|0,0,0]=2 4556 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,2,0,0,0,0|1,0,0]=3 4557 B10R0.42 CCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210207 [0,2,0,0,0,0|1,0,0]=3 4558 B10R0.42 CCCOCC(C)(C)C(=O)N 34a_100000210258_200009895572 [0,2,0,0,0,0|1,0,0]=3 4559 B10R0.42 CCCOCC(C)(C)[N+](=O)[O-] 34a_100000032158_100000210303 [0,2,0,0,0,0|1,0,1]=4 4560 B10R0.42 CCCOCC(C)(C)[N+](=O)[O-] 7a_100000032158_100000210303 [0,2,0,0,0,0|1,0,1]=4 4561 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_100000210303_200009895572 [0,2,0,0,0,0|1,0,0]=3 4562 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_200009895572_100000210303 [0,2,0,0,0,0|1,0,0]=3 4563 B10R0.42 CCOCSC(C)(C)C(=O)C 62a_100000075568_100000739092 [0,2,0,0,0,0|2,0,0]=4 4564 B10R0.42 CCOCSC(C)(C)C(=O)C 62a_100000739092_100000075568 [0,2,0,0,0,0|2,0,0]=4 4565 B10R0.42 CCOCSC(C)(C)C(=O)N 62a_100000702505_100000739092 [0,2,0,0,0,0|2,0,0]=4 4566 B10R0.42 CCOCSC(C)(C)C(=O)N 62a_100000739092_100000702505 [0,2,0,0,0,0|2,0,0]=4 4567 B10R0.42 COCCNC(C)(C)C(=O)N 2230a_100000209980_100000702505 [0,2,0,0,0,0|2,0,0]=4 4568 B10R0.42 COCCNC(C)(C)C(=O)N 2230a_100000743658_100011201679 [0,2,0,0,0,0|2,0,0]=4 4569 B10R0.42 COCCNC(C)(C)C(=O)N 34a_100000743658_100011201679 [0,2,0,0,0,0|2,0,0]=4 4570 B10R0.42 COCCOC(C)(C)C(=O)C 34a_100000747739_100011201679 [0,2,0,0,0,0|2,0,0]=4 4571 B10R0.42 COCCOC(C)(C)C(=O)C 7a_100000747739_100000233755 [0,2,0,0,0,0|2,0,0]=4 4572 B10R0.42 COCCOC(C)(C)C(=O)N 34a_100000210237_100000702505 [0,2,0,0,0,0|2,0,0]=4 4573 B10R0.42 COCCOC(C)(C)C(=O)N 34a_100011626353_100011201679 [0,2,0,0,0,0|2,0,0]=4 4574 B10R0.42 COCCOC(C)(C)C(=O)N 7a_100011626353_100000233755 [0,2,0,0,0,0|2,0,0]=4 4575 B10R0.42 COCCSC(C)(C)C(=O)C 62a_100000075568_100000233755 [0,2,0,0,0,0|2,0,0]=4 4576 B10R0.42 COCCSC(C)(C)C(=O)C 62a_100000233755_100000075568 [0,2,0,0,0,0|2,0,0]=4 4577 B10R0.42 COCCSC(C)(C)C(=O)N 62a_100000233755_100000702505 [0,2,0,0,0,0|2,0,0]=4 4578 B10R0.42 COCCSC(C)(C)C(=O)N 62a_100000702505_100000233755 [0,2,0,0,0,0|2,0,0]=4 4579 B10R0.42 COCNCC(C)(C)C(=O)N 2230a_100000740840_100000766300 [0,2,0,0,0,0|2,0,0]=4 4580 B10R0.42 COCNCC(C)(C)C(=O)O 269956a_100000693527_100000766300 [0,2,0,0,0,0|1,0,0]=3 4581 B10R0.42 COCNCC(F)(F)C(=O)O 269956a_100000734215_100000766300 [0,2,0,0,0,0|2,0,0]=4 4582 B10R0.42 COCNOC(C)(C)C(=O)O 269956a_100016989451_100000766300 [0,2,0,0,0,0|2,0,0]=4 4583 B10R0.42 COCSCC(C)(C)C(=O)N 62a_100000766300_200009895572 [0,2,0,0,0,0|2,0,0]=4 4584 B10R0.42 COCSCC(C)(C)C(=O)N 62a_200009895572_100000766300 [0,2,0,0,0,0|2,0,0]=4 4585 B10R0.42 CSCCNC(C)(C)C(=O)N 2230a_100000743658_100000751147 [0,2,0,0,0,0|2,0,0]=4 4586 B10R0.42 CSCCNC(C)(C)C(=O)N 2230a_100020590264_100000702505 [0,2,0,0,0,0|2,0,0]=4 4587 B10R0.42 CSCCNC(C)(C)C(=O)N 34a_100000743658_100000212216 [0,2,0,0,0,0|2,0,0]=4 4588 B10R0.42 CSCCOC(C)(C)C(=O)C 34a_100000747739_100000212216 [0,2,0,0,0,0|2,0,0]=4 4589 B10R0.42 CSCCOC(C)(C)C(=O)C 7a_100000230434_100000075568 [0,2,0,0,0,0|2,0,0]=4 4590 B10R0.42 CSCCOC(C)(C)C(=O)C 7a_100000747739_100000212216 [0,2,0,0,0,0|2,0,0]=4 4591 B10R0.42 CSCCOC(C)(C)C(=O)N 34a_100000230434_100000702505 [0,2,0,0,0,0|2,0,0]=4 4592 B10R0.42 CSCCOC(C)(C)C(=O)N 34a_100011626353_100000212216 [0,2,0,0,0,0|2,0,0]=4 4593 B10R0.42 CSCCOC(C)(C)C(=O)N 7a_100000230434_100000702505 [0,2,0,0,0,0|2,0,0]=4 4594 B10R0.42 CSCCOC(C)(C)C(=O)N 7a_100011626353_100000212216 [0,2,0,0,0,0|2,0,0]=4 4595 B10R0.42 CSCCSC(C)(C)C(=O)C 62a_100000075568_100000751147 [0,2,0,0,0,0|2,0,0]=4 4596 B10R0.42 CSCCSC(C)(C)C(=O)C 62a_100000212216_100000075568 [0,2,0,0,0,0|2,0,0]=4 4597 B10R0.42 CSCCSC(C)(C)C(=O)N 62a_100000212216_100000702505 [0,2,0,0,0,0|2,0,0]=4 4598 B10R0.42 CSCCSC(C)(C)C(=O)N 62a_100000702505_100000751147 [0,2,0,0,0,0|2,0,0]=4 4599 B10R0.42 CSCNCC(C)(C)C(=O)N 2230a_100000740840_100011218213 [0,2,0,0,0,0|2,0,0]=4 4600 B10R0.42 CSCNCC(C)(C)C(=O)N 34a_100000740840_100011218213 [0,2,0,0,0,0|2,0,0]=4 4601 B10R0.42 CSCNCC(C)(C)C(=O)O 269956a_100000693527_100011218213 [0,2,0,0,0,0|1,0,0]=3 4602 B10R0.42 CSCNCC(F)(F)C(=O)O 269956a_100000734215_100011218213 [0,2,0,0,0,0|2,0,0]=4 4603 B10R0.42 CSCNOC(C)(C)C(=O)O 269956a_100016989451_100011218213 [0,2,0,0,0,0|2,0,0]=4 4604 B10R0.42 CSCSCC(C)(C)C(=O)N 62a_100011218213_200009895572 [0,2,0,0,0,0|2,0,0]=4 4605 B10R0.42 CSCSCC(C)(C)C(=O)N 62a_200009895572_100011218213 [0,2,0,0,0,0|2,0,0]=4 4606 B10R0.42 O=C(O)C(F)(F)CNCCF 269956a_100000734215_100011217306 [0,2,0,0,0,0|2,0,0]=4 4607 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [0,2,0,0,0,0|2,0,0]=4 4608 B10R0.75 C#CCCCNC(C)C(=O)N 34a_100000718082_100000702099 [0,2,0,0,0,0|1,0,1]=4 4609 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,2,0,0,0,0|0,0,1]=3 4610 B10R0.75 C#CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000731252 [0,2,0,0,0,0|1,0,1]=4 4611 B10R0.75 C#CCCCN[C@H](C)C(=O)N 34a_100000119354_100000695029 [0,2,0,0,0,0|1,0,1]=4 4612 B10R0.75 C#CCCCOC(C)C(=O)C 34a_100000212229_100000695029 [0,2,0,0,0,0|1,0,1]=4 4613 B10R0.75 C#CCCCOC(C)C(=O)C 7a_100000215630_100000179758 [0,2,0,0,0,0|1,0,1]=4 4614 B10R0.75 C#CCCCOC(C)C(=O)N 34a_100000215630_100000702099 [0,2,0,0,0,0|1,0,1]=4 4615 B10R0.75 C#CCCCOC(C)C(=O)N 7a_100000215630_100000702099 [0,2,0,0,0,0|1,0,1]=4 4616 B10R0.75 C#CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215417 [0,2,0,0,0,0|0,0,2]=4 4617 B10R0.75 C#CCCCO[C@H](C)C(=O)N 34a_100000731257_100000695029 [0,2,0,0,0,0|1,0,1]=4 4618 B10R0.75 C#CCCCO[C@H](C)C(=O)N 7a_100000731257_100011215417 [0,2,0,0,0,0|1,0,1]=4 4619 B10R0.75 C#CCCCSC(C)C(=O)C 62a_100009814033_100011215417 [0,2,0,0,0,0|1,0,1]=4 4620 B10R0.75 C#CCCCSC(C)C(=O)C 62a_100011215417_100009814033 [0,2,0,0,0,0|1,0,1]=4 4621 B10R0.75 C#CCCCSC(C)C(=O)N 62a_100000702099_100011215417 [0,2,0,0,0,0|1,0,1]=4 4622 B10R0.75 C#CCCCSC(C)C(=O)N 62a_100011215417_100000702099 [0,2,0,0,0,0|1,0,1]=4 4623 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,2,0,0,0,0|0,0,1]=3 4624 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,2,0,0,0,0|1,0,1]=4 4625 B10R0.75 C#CCCOCC(C)C(=O)C 34a_100000032740_100000688953 [0,2,0,0,0,0|1,0,1]=4 4626 B10R0.75 C#CCCOCC(C)C(=O)C 7a_100000032740_100000688953 [0,2,0,0,0,0|1,0,1]=4 4627 B10R0.75 C/C=C/CCOC(C)C(=O)N 34a_100016278192_100000702099 [0,2,0,0,0,0|1,0,1]=4 4628 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [0,2,0,0,0,0|0,0,1]=3 4629 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [0,2,0,0,0,0|1,0,1]=4 4630 B10R0.75 C/C=C/COCC(C)C(=O)C 34a_100000032740_100102629194 [0,2,0,0,0,0|1,0,1]=4 4631 B10R0.75 C/C=C/COCC(C)C(=O)C 7a_100000032740_100102629194 [0,2,0,0,0,0|1,0,1]=4 4632 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,2,0,0,0,0|2,0,0]=4 4633 B10R0.75 C=C(C)C(C)NCCCCO 269862a_100000750430_100011216138 [0,2,0,0,0,0|2,0,0]=4 4634 B10R0.75 C=C(C)C(C)NCCCOC 269862a_100150723488_100011216138 [0,2,0,0,0,0|2,0,0]=4 4635 B10R0.75 C=C(C)C(C)NCCCSC 269862a_100000749238_100011216138 [0,2,0,0,0,0|2,0,0]=4 4636 B10R0.75 C=C(C)C(C)NCCOCC 269862a_100011200944_100011216138 [0,2,0,0,0,0|2,0,0]=4 4637 B10R0.75 C=C(C)C(C)NCCSCC 269862a_100000106463_100011216138 [0,2,0,0,0,0|2,0,0]=4 4638 B10R0.75 C=CCCCCN(C)C(=O)C 11a_100012000471_100015343762 [0,2,0,0,0,0|2,0,0]=4 4639 B10R0.75 C=CCCCCN(C)C(=O)C 1626a_100012000471_100015343762 [0,2,0,0,0,0|2,0,0]=4 4640 B10R0.75 C=CCCCCN(C)C(=O)C 240690a_100012000471_100015343762 [0,2,0,0,0,0|2,0,0]=4 4641 B10R0.75 C=CCCCCN(C)C(=O)C 527a_100012000471_100103153847 [0,2,0,0,0,0|2,0,0]=4 4642 B10R0.75 C=CCCCNC(C)C(=O)C 2230a_100000700776_100009814033 [0,2,0,0,0,0|1,0,1]=4 4643 B10R0.75 C=CCCCNC(C)C(=O)N 2230a_100000700776_100000702099 [0,2,0,0,0,0|1,0,1]=4 4644 B10R0.75 C=CCCCNC(C)C(=O)N 34a_100000700776_100000702099 [0,2,0,0,0,0|1,0,1]=4 4645 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,2,0,0,0,0|0,0,1]=3 4646 B10R0.75 C=CCCCN[C@H](C)C(=O)N 2230a_100000119354_100011713584 [0,2,0,0,0,0|1,0,1]=4 4647 B10R0.75 C=CCCCN[C@H](C)C(=O)N 34a_100000119354_100000757094 [0,2,0,0,0,0|1,0,1]=4 4648 B10R0.75 C=CCCCOC(C)C(=O)C 34a_100000212229_100000757094 [0,2,0,0,0,0|1,0,1]=4 4649 B10R0.75 C=CCCCOC(C)C(=O)C 7a_100000758997_100000179758 [0,2,0,0,0,0|1,0,1]=4 4650 B10R0.75 C=CCCCOC(C)C(=O)N 34a_100000758997_100000702099 [0,2,0,0,0,0|1,0,1]=4 4651 B10R0.75 C=CCCCOC(C)C(=O)N 7a_100000758997_100000702099 [0,2,0,0,0,0|1,0,1]=4 4652 B10R0.75 C=CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757094 [0,2,0,0,0,0|0,0,2]=4 4653 B10R0.75 C=CCCCO[C@H](C)C(=O)N 34a_100000731257_100000757094 [0,2,0,0,0,0|1,0,1]=4 4654 B10R0.75 C=CCCCO[C@H](C)C(=O)N 7a_100000731257_100000757094 [0,2,0,0,0,0|1,0,1]=4 4655 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100009814033_100000757094 [0,2,0,0,0,0|1,0,1]=4 4656 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100011713584_100009814033 [0,2,0,0,0,0|1,0,1]=4 4657 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100000702099_100000757094 [0,2,0,0,0,0|1,0,1]=4 4658 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100011713584_100000702099 [0,2,0,0,0,0|1,0,1]=4 4659 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,2,0,0,0,0|0,0,1]=3 4660 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,2,0,0,0,0|1,0,1]=4 4661 B10R0.75 C=CCCOCC(C)C(=O)C 34a_100000032740_100000754431 [0,2,0,0,0,0|1,0,1]=4 4662 B10R0.75 C=CCCOCC(C)C(=O)C 7a_100000032740_100000754431 [0,2,0,0,0,0|1,0,1]=4 4663 B10R0.75 C=COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000039644 [0,2,0,0,0,0|0,0,2]=4 4664 B10R0.75 CC#CCCOC(C)C(=O)N 34a_100000750427_100000702099 [0,2,0,0,0,0|1,0,1]=4 4665 B10R0.75 CC#CCNCC(C)C(=O)O 269956a_100000749485_100000748600 [0,2,0,0,0,0|0,0,1]=3 4666 B10R0.75 CC#CCNCC(F)C(=O)O 269956a_100000084737_100000748600 [0,2,0,0,0,0|1,0,1]=4 4667 B10R0.75 CC#CCOCC(C)C(=O)C 34a_100000032740_100000748600 [0,2,0,0,0,0|1,0,1]=4 4668 B10R0.75 CC#CCOCC(C)C(=O)C 7a_100000032740_100000748600 [0,2,0,0,0,0|1,0,1]=4 4669 B10R0.75 CC(=O)C(C)COCCC#N 7a_100000032740_100000184422 [0,2,0,0,0,0|1,0,1]=4 4670 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,2,0,0,0,0|1,0,0]=3 4671 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,2,0,0,0,0|1,0,0]=3 4672 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,2,0,0,0,0|1,0,0]=3 4673 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,2,0,0,0,0|1,0,0]=3 4674 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|1,0,0]=3 4675 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|1,0,0]=3 4676 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|1,0,0]=3 4677 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|1,0,0]=3 4678 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|1,0,0]=3 4679 B10R0.75 CC(=O)C(C)SCCCC#N 62a_100000687738_100009814033 [0,2,0,0,0,0|1,0,1]=4 4680 B10R0.75 CC(=O)C(C)SCCCC#N 62a_100009814033_100000687738 [0,2,0,0,0,0|1,0,1]=4 4681 B10R0.75 CC(=O)C(C)SCCCC=O 62a_100009814033_200011292268 [0,2,0,0,0,0|1,0,1]=4 4682 B10R0.75 CC(=O)C(C)SCCCC=O 62a_200011292268_100009814033 [0,2,0,0,0,0|1,0,1]=4 4683 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,2,0,0,0,0|1,0,0]=3 4684 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,2,0,0,0,0|1,0,0]=3 4685 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|1,0,0]=3 4686 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|1,0,0]=3 4687 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|2,0,0]=4 4688 B10R0.75 CC(=O)N(C)CCOCCO 240690a_100000228057_100015343762 [0,2,0,0,0,0|2,0,0]=4 4689 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,2,0,0,0,0|0,0,1]=3 4690 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,2,0,0,0,0|0,0,0]=2 4691 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,2,0,0,0,0|0,0,0]=2 4692 B10R0.75 CC(CNCSC#N)C(=O)O 269956a_100000749485_100000211825 [0,2,0,0,0,0|1,0,1]=4 4693 B10R0.75 CC(COCCCF)[N+](=O)[O-] 34a_100000039676_100011934791 [0,2,0,0,0,0|1,0,1]=4 4694 B10R0.75 CC(COCCCF)[N+](=O)[O-] 7a_100000039676_100011934791 [0,2,0,0,0,0|1,0,1]=4 4695 B10R0.75 CC(COCCCO)[N+](=O)[O-] 34a_100000039676_100000230001 [0,2,0,0,0,0|1,0,1]=4 4696 B10R0.75 CC(COCCCO)[N+](=O)[O-] 7a_100000039676_100011215043 [0,2,0,0,0,0|1,0,1]=4 4697 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,2,0,0,0,0|1,0,0]=3 4698 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|1,0,0]=3 4699 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,2,0,0,0,0|1,0,0]=3 4700 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,2,0,0,0,0|1,0,0]=3 4701 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,2,0,0,0,0|1,0,0]=3 4702 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,2,0,0,0,0|1,0,0]=3 4703 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,2,0,0,0,0|1,0,0]=3 4704 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,2,0,0,0,0|1,0,0]=3 4705 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|1,0,0]=3 4706 B10R0.75 CC(SCCCC#N)C(=O)N 62a_100000687738_100000702099 [0,2,0,0,0,0|1,0,1]=4 4707 B10R0.75 CC(SCCCC#N)C(=O)N 62a_100000702099_100000687738 [0,2,0,0,0,0|1,0,1]=4 4708 B10R0.75 CC(SCCCC=O)C(=O)N 62a_100000702099_200011292268 [0,2,0,0,0,0|1,0,1]=4 4709 B10R0.75 CC(SCCCC=O)C(=O)N 62a_200011292268_100000702099 [0,2,0,0,0,0|1,0,1]=4 4710 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,2,0,0,0,0|1,0,0]=3 4711 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,2,0,0,0,0|1,0,0]=3 4712 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,2,0,0,0,0|1,0,0]=3 4713 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,2,0,0,0,0|1,0,0]=3 4714 B10R0.75 CC/C=C\CN[C@@H](C)C(=O)O 269956a_100000743915_100103147603 [0,2,0,0,0,0|0,0,1]=3 4715 B10R0.75 CC/C=C\CN[C@H](C)C(=O)N 2230a_100000119354_100103147603 [0,2,0,0,0,0|1,0,1]=4 4716 B10R0.75 CC/C=C\CN[C@H](C)C(=O)N 34a_100000119354_100103147603 [0,2,0,0,0,0|1,0,1]=4 4717 B10R0.75 CC/C=C\COC(C)C(=O)C 34a_100000212229_100103147603 [0,2,0,0,0,0|1,0,1]=4 4718 B10R0.75 CC/C=C\COC(C)C(=O)N 34a_100016268518_100000702099 [0,2,0,0,0,0|1,0,1]=4 4719 B10R0.75 CC/C=C\CO[C@@H](C)C(=O)[O-] 7a_217856618621_100103147603 [0,2,0,0,0,0|0,0,2]=4 4720 B10R0.75 CC/C=C\CO[C@H](C)C(=O)N 34a_100000731257_100103147603 [0,2,0,0,0,0|1,0,1]=4 4721 B10R0.75 CC/C=C\CO[C@H](C)C(=O)N 7a_100000731257_100103147603 [0,2,0,0,0,0|1,0,1]=4 4722 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100009814033_100103147603 [0,2,0,0,0,0|1,0,1]=4 4723 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100103147603_100009814033 [0,2,0,0,0,0|1,0,1]=4 4724 B10R0.75 CC/C=C\CSC(C)C(=O)N 62a_100000702099_100103147603 [0,2,0,0,0,0|1,0,1]=4 4725 B10R0.75 CC/C=C\CSC(C)C(=O)N 62a_100103147603_100000702099 [0,2,0,0,0,0|1,0,1]=4 4726 B10R0.75 CC=CCOCC(C)C(=O)C 34a_100000032740_100000070051 [0,2,0,0,0,0|1,0,1]=4 4727 B10R0.75 CC=CCOCC(C)C(=O)C 7a_100000032740_100000070051 [0,2,0,0,0,0|1,0,1]=4 4728 B10R0.75 CCC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100009813939 [0,2,0,0,0,0|0,0,1]=3 4729 B10R0.75 CCC#CCN[C@H](C)C(=O)N 2230a_100000119354_100009813939 [0,2,0,0,0,0|1,0,1]=4 4730 B10R0.75 CCC#CCN[C@H](C)C(=O)N 34a_100000119354_100009813939 [0,2,0,0,0,0|1,0,1]=4 4731 B10R0.75 CCC#CCOC(C)C(=O)C 34a_100000212229_100009813939 [0,2,0,0,0,0|1,0,1]=4 4732 B10R0.75 CCC#CCOC(C)C(=O)N 34a_100000032950_100000702099 [0,2,0,0,0,0|1,0,1]=4 4733 B10R0.75 CCC#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100009813939 [0,2,0,0,0,0|0,0,2]=4 4734 B10R0.75 CCC#CCO[C@H](C)C(=O)N 34a_100000731257_100009813939 [0,2,0,0,0,0|1,0,1]=4 4735 B10R0.75 CCC#CCO[C@H](C)C(=O)N 7a_100000731257_100009813939 [0,2,0,0,0,0|1,0,1]=4 4736 B10R0.75 CCC#CCSC(C)C(=O)C 62a_100009813939_100009814033 [0,2,0,0,0,0|1,0,1]=4 4737 B10R0.75 CCC#CCSC(C)C(=O)C 62a_100009814033_100009813939 [0,2,0,0,0,0|1,0,1]=4 4738 B10R0.75 CCC#CCSC(C)C(=O)N 62a_100000702099_100009813939 [0,2,0,0,0,0|1,0,1]=4 4739 B10R0.75 CCC#CCSC(C)C(=O)N 62a_100009813939_100000702099 [0,2,0,0,0,0|1,0,1]=4 4740 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|1,0,0]=3 4741 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|2,0,0]=4 4742 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|2,0,0]=4 4743 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 4744 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 4745 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 4746 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|2,0,0]=4 4747 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|1,0,0]=3 4748 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,2,0,0,0,0|1,0,0]=3 4749 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|0,0,0]=2 4751 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,2,0,0,0,0|1,0,0]=3 4752 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,2,0,0,0,0|1,0,0]=3 4753 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|1,0,0]=3 4754 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|1,0,0]=3 4755 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|1,0,0]=3 4756 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|1,0,0]=3 4757 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 4758 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 4759 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,2,0,0,0,0|1,0,1]=4 4760 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|0,0,1]=3 4761 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|1,0,0]=3 4762 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|1,0,0]=3 4763 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|1,0,0]=3 4764 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|1,0,0]=3 4765 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,2,0,0,0,0|1,0,0]=3 4766 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,2,0,0,0,0|1,0,0]=3 4767 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,2,0,0,0,0|2,0,0]=4 4768 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,2,0,0,0,0|2,0,0]=4 4769 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,2,0,0,0,0|1,0,1]=4 4770 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,2,0,0,0,0|1,0,1]=4 4771 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|0,0,0]=2 4772 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|1,0,0]=3 4773 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|1,0,0]=3 4774 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|1,0,0]=3 4775 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210210 [0,2,0,0,0,0|1,0,1]=4 4776 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210211 [0,2,0,0,0,0|1,0,1]=4 4777 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|2,0,0]=4 4778 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [0,2,0,0,0,0|1,0,0]=3 4779 B10R0.75 CCOCCNC(C)C(=O)N 2230a_102516460346_100000702099 [0,2,0,0,0,0|1,0,0]=3 4780 B10R0.75 CCOCCNC(C)C(=O)N 34a_102516460346_100000702099 [0,2,0,0,0,0|1,0,0]=3 4781 B10R0.75 CCOCCNC(F)C(=O)N 2230a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 4782 B10R0.75 CCOCCNC(F)C(=O)N 34a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 4783 B10R0.75 CCOCCNC(F)C(=O)[O-] 34a_102516460346_100020610796 [0,2,0,0,0,0|1,0,1]=4 4784 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,2,0,0,0,0|0,0,0]=2 4785 B10R0.75 CCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215890 [0,2,0,0,0,0|1,0,0]=3 4786 B10R0.75 CCOCCN[C@H](C)C(=O)N 34a_100000119354_100000210147 [0,2,0,0,0,0|1,0,0]=3 4787 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,2,0,0,0,0|1,0,0]=3 4788 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,2,0,0,0,0|1,0,0]=3 4789 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,2,0,0,0,0|1,0,0]=3 4790 B10R0.75 CCOCCOC(C)C(=O)N 34a_100000210136_100000702099 [0,2,0,0,0,0|1,0,0]=3 4791 B10R0.75 CCOCCOC(C)C(=O)N 7a_100000210136_100000702099 [0,2,0,0,0,0|1,0,0]=3 4792 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,2,0,0,0,0|1,0,0]=3 4793 B10R0.75 CCOCCOC(F)C(=O)N 34a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 4794 B10R0.75 CCOCCOC(F)C(=O)N 7a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 4795 B10R0.75 CCOCCOC(F)C(=O)[O-] 34a_100000210136_100020610796 [0,2,0,0,0,0|1,0,1]=4 4796 B10R0.75 CCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215890 [0,2,0,0,0,0|0,0,1]=3 4797 B10R0.75 CCOCCO[C@H](C)C(=O)N 34a_100000731257_100000210147 [0,2,0,0,0,0|1,0,0]=3 4798 B10R0.75 CCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215890 [0,2,0,0,0,0|1,0,0]=3 4799 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [0,2,0,0,0,0|1,0,0]=3 4800 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [0,2,0,0,0,0|1,0,0]=3 4801 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000210147_100000702099 [0,2,0,0,0,0|1,0,0]=3 4802 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000702099_100011215890 [0,2,0,0,0,0|1,0,0]=3 4803 B10R0.75 CCOCCSC(F)C(=O)N 62a_100000210147_100009813875 [0,2,0,0,0,0|2,0,0]=4 4804 B10R0.75 CCOCCSC(F)C(=O)N 62a_100009813875_100011215890 [0,2,0,0,0,0|2,0,0]=4 4805 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100000210147_100020610796 [0,2,0,0,0,0|1,0,1]=4 4806 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215890 [0,2,0,0,0,0|1,0,1]=4 4807 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,2,0,0,0,0|0,0,0]=2 4808 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,2,0,0,0,0|1,0,0]=3 4809 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,2,0,0,0,0|1,0,0]=3 4810 B10R0.75 CCSCCNC(C)C(=O)N 2230a_100000106463_100000702099 [0,2,0,0,0,0|1,0,0]=3 4811 B10R0.75 CCSCCNC(F)C(=O)N 2230a_100000106463_100009813875 [0,2,0,0,0,0|2,0,0]=4 4812 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,0,0,0,0|0,0,0]=2 4813 B10R0.75 CCSCCN[C@H](C)C(=O)N 2230a_100000119354_100000757381 [0,2,0,0,0,0|1,0,0]=3 4814 B10R0.75 CCSCCN[C@H](C)C(=O)N 34a_100000119354_100000757381 [0,2,0,0,0,0|1,0,0]=3 4815 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,2,0,0,0,0|1,0,0]=3 4816 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,2,0,0,0,0|1,0,0]=3 4817 B10R0.75 CCSCCOC(C)C(=O)N 34a_100000212035_100000702099 [0,2,0,0,0,0|1,0,0]=3 4818 B10R0.75 CCSCCOC(C)C(=O)N 7a_100000212035_100000702099 [0,2,0,0,0,0|1,0,0]=3 4819 B10R0.75 CCSCCOC(F)C(=O)N 34a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 4820 B10R0.75 CCSCCOC(F)C(=O)N 7a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 4821 B10R0.75 CCSCCOC(F)C(=O)[O-] 34a_100000212035_100020610796 [0,2,0,0,0,0|1,0,1]=4 4822 B10R0.75 CCSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757381 [0,2,0,0,0,0|0,0,1]=3 4823 B10R0.75 CCSCCO[C@H](C)C(=O)N 34a_100000731257_100000757381 [0,2,0,0,0,0|1,0,0]=3 4824 B10R0.75 CCSCCO[C@H](C)C(=O)N 7a_100000731257_100000757381 [0,2,0,0,0,0|1,0,0]=3 4825 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,2,0,0,0,0|1,0,0]=3 4826 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,2,0,0,0,0|1,0,0]=3 4827 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000702099_100000757381 [0,2,0,0,0,0|1,0,0]=3 4828 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000757381_100000702099 [0,2,0,0,0,0|1,0,0]=3 4829 B10R0.75 CCSCCSC(F)C(=O)N 62a_100000757381_100009813875 [0,2,0,0,0,0|2,0,0]=4 4830 B10R0.75 CCSCCSC(F)C(=O)N 62a_100009813875_100000757381 [0,2,0,0,0,0|2,0,0]=4 4831 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100000757381_100020610796 [0,2,0,0,0,0|1,0,1]=4 4832 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100020610796_100000757381 [0,2,0,0,0,0|1,0,1]=4 4833 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,2,0,0,0,0|1,0,0]=3 4834 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,2,0,0,0,0|2,0,0]=4 4835 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,2,0,0,0,0|1,0,1]=4 4836 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,2,0,0,0,0|1,0,0]=3 4837 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,2,0,0,0,0|2,0,0]=4 4838 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,2,0,0,0,0|1,0,1]=4 4839 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,2,0,0,0,0|0,0,0]=2 4840 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,2,0,0,0,0|1,0,0]=3 4841 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,2,0,0,0,0|1,0,0]=3 4842 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|1,0,0]=3 4843 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,2,0,0,0,0|1,0,0]=3 4844 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,2,0,0,0,0|1,0,1]=4 4846 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,2,0,0,0,0|0,0,1]=3 4847 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,2,0,0,0,0|1,0,0]=3 4848 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,2,0,0,0,0|1,0,0]=3 4849 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,2,0,0,0,0|1,0,0]=3 4850 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,2,0,0,0,0|1,0,0]=3 4851 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,2,0,0,0,0|1,0,0]=3 4852 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,2,0,0,0,0|1,0,0]=3 4853 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,2,0,0,0,0|2,0,0]=4 4854 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,2,0,0,0,0|2,0,0]=4 4855 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,2,0,0,0,0|1,0,1]=4 4856 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,2,0,0,0,0|1,0,1]=4 4857 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,2,0,0,0,0|0,0,0]=2 4858 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,2,0,0,0,0|1,0,0]=3 4859 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,2,0,0,0,0|1,0,0]=3 4860 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,2,0,0,0,0|1,0,0]=3 4861 B10R0.75 COCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011201679 [0,2,0,0,0,0|1,0,1]=4 4862 B10R0.75 COCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000233755 [0,2,0,0,0,0|1,0,1]=4 4863 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,2,0,0,0,0|2,0,0]=4 4864 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,2,0,0,0,0|1,0,0]=3 4865 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [0,2,0,0,0,0|1,0,0]=3 4866 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [0,2,0,0,0,0|2,0,0]=4 4867 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,2,0,0,0,0|1,0,0]=3 4868 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [0,2,0,0,0,0|1,0,0]=3 4869 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [0,2,0,0,0,0|1,0,0]=3 4870 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 4871 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 4872 B10R0.75 CSCCCOC(F)C(=O)[O-] 34a_100000690336_100020610796 [0,2,0,0,0,0|1,0,1]=4 4873 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|0,0,0]=2 4874 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,0,0,0,0|1,0,0]=3 4875 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,2,0,0,0,0|1,0,0]=3 4876 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,2,0,0,0,0|1,0,0]=3 4877 B10R0.75 CSCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000212216 [0,2,0,0,0,0|1,0,1]=4 4878 B10R0.75 CSCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000212216 [0,2,0,0,0,0|1,0,1]=4 4879 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,2,0,0,0,0|2,0,0]=4 4880 B10R0.75 C[C@@H](NCCCC#N)C(=O)N 2230a_100000119354_100000687738 [0,2,0,0,0,0|1,0,1]=4 4881 B10R0.75 C[C@@H](NCCCC=O)C(=O)N 2230a_100000119354_200011292268 [0,2,0,0,0,0|1,0,1]=4 4882 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,2,0,0,0,0|1,0,0]=3 4883 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,2,0,0,0,0|1,0,0]=3 4884 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,2,0,0,0,0|1,0,0]=3 4885 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,2,0,0,0,0|1,0,0]=3 4886 B10R0.75 C[C@@H](OCCCC#N)C(=O)N 7a_100000731257_100000687738 [0,2,0,0,0,0|1,0,1]=4 4887 B10R0.75 C[C@@H](OCCCC=O)C(=O)N 7a_100000731257_200011292268 [0,2,0,0,0,0|1,0,1]=4 4888 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,2,0,0,0,0|1,0,0]=3 4889 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,2,0,0,0,0|1,0,0]=3 4890 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,2,0,0,0,0|1,0,0]=3 4891 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,2,0,0,0,0|1,0,0]=3 4892 B10R0.75 C[C@H](NCC#CCO)C(=O)O 269956a_100000743915_200000047223 [0,2,0,0,0,0|0,0,2]=4 4893 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,2,0,0,0,0|0,0,1]=3 4894 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,2,0,0,0,0|0,0,1]=3 4895 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,2,0,0,0,0|0,0,0]=2 4896 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,2,0,0,0,0|0,0,0]=2 4897 B10R0.75 C[C@H](NCCSC#N)C(=O)O 269956a_100000743915_100000034367 [0,2,0,0,0,0|1,0,1]=4 4898 B10R0.75 C[C@H](OCCCC#N)C(=O)[O-] 7a_217856618621_100000687738 [0,2,0,0,0,0|0,0,2]=4 4899 B10R0.75 C[C@H](OCCCC=O)C(=O)[O-] 7a_217856618621_200011292268 [0,2,0,0,0,0|0,0,2]=4 4900 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,2,0,0,0,0|0,0,1]=3 4901 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,2,0,0,0,0|0,0,1]=3 4902 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,2,0,0,0,0|1,0,1]=4 4903 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 4904 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 4905 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,2,0,0,0,0|2,0,0]=4 4906 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 4907 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 4908 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 4909 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 4910 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,2,0,0,0,0|2,0,0]=4 4911 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,2,0,0,0,0|2,0,0]=4 4912 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,2,0,0,0,0|2,0,0]=4 4913 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 4914 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,2,0,0,0,0|2,0,0]=4 4915 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,2,0,0,0,0|2,0,0]=4 4916 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,2,0,0,0,0|1,0,1]=4 4919 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,2,0,0,0,0|1,0,0]=3 4920 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,2,0,0,0,0|1,0,0]=3 4921 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,2,0,0,0,0|1,0,1]=4 4922 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,2,0,0,0,0|1,0,1]=4 4923 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,2,0,0,0,0|1,0,1]=4 4924 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,2,0,0,0,0|1,0,1]=4 4925 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,2,0,0,0,0|1,0,1]=4 4926 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,2,0,0,0,0|1,0,1]=4 4927 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,2,0,0,0,0|1,0,1]=4 4928 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,2,0,0,0,0|1,0,1]=4 4929 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,2,0,0,0,0|1,0,1]=4 4930 B10R0.98 C=C(C)C(C)NCCC(C)C 269862a_100000210545_100011216138 [0,2,0,0,0,0|2,0,0]=4 4931 B10R0.98 C=C(C)C(C)NCCC(C)O 269862a_200000755665_100011216138 [0,2,0,0,0,0|2,0,0]=4 4932 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,2,0,0,0,0|0,0,1]=3 4933 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000730704 [0,2,0,0,0,0|1,0,1]=4 4934 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000730704 [0,2,0,0,0,0|1,0,1]=4 4935 B10R0.98 C=C(C)CCOC(C)C(=O)C 34a_100000212229_100000730704 [0,2,0,0,0,0|1,0,1]=4 4936 B10R0.98 C=C(C)CCOC(C)C(=O)N 34a_100000764851_100000702099 [0,2,0,0,0,0|1,0,1]=4 4937 B10R0.98 C=C(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730704 [0,2,0,0,0,0|0,0,2]=4 4938 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000730704 [0,2,0,0,0,0|1,0,1]=4 4939 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000730704 [0,2,0,0,0,0|1,0,1]=4 4940 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100000730704_100009814033 [0,2,0,0,0,0|1,0,1]=4 4941 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100009814033_100000730704 [0,2,0,0,0,0|1,0,1]=4 4942 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000702099_100000730704 [0,2,0,0,0,0|1,0,1]=4 4943 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000730704_100000702099 [0,2,0,0,0,0|1,0,1]=4 4944 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,2,0,0,0,0|0,0,1]=3 4945 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,2,0,0,0,0|1,0,1]=4 4946 B10R0.98 C=C(C)COCC(C)C(=O)C 34a_100000032740_100000748629 [0,2,0,0,0,0|1,0,1]=4 4947 B10R0.98 C=C(C)COCC(C)C(=O)C 7a_100000032740_100000748629 [0,2,0,0,0,0|1,0,1]=4 4948 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,2,0,0,0,0|0,0,2]=4 4949 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,2,0,0,0,0|0,0,2]=4 4950 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,2,0,0,0,0|1,0,0]=3 4951 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,2,0,0,0,0|1,0,0]=3 4952 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,2,0,0,0,0|1,0,0]=3 4953 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,2,0,0,0,0|1,0,0]=3 4954 B10R0.98 CC(=O)C(C)COCC(F)F 34a_100000032740_100011934356 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.98 CC(=O)C(C)COCC(F)F 7a_100000032740_100011934356 [0,2,0,0,0,0|2,0,0]=4 4956 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,2,0,0,0,0|1,0,0]=3 4957 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,2,0,0,0,0|1,0,0]=3 4958 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,2,0,0,0,0|1,0,0]=3 4959 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,2,0,0,0,0|1,0,0]=3 4960 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,2,0,0,0,0|1,0,0]=3 4961 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,2,0,0,0,0|1,0,0]=3 4962 B10R0.98 CC(=O)C(C)OCOC(C)C 34a_100000212229_100000709892 [0,2,0,0,0,0|2,0,0]=4 4963 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,2,0,0,0,0|1,0,0]=3 4964 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,2,0,0,0,0|1,0,0]=3 4965 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,2,0,0,0,0|1,0,0]=3 4966 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,2,0,0,0,0|1,0,0]=3 4967 B10R0.98 CC(=O)C(C)SCCN(C)C 62a_100009814033_100000755713 [0,2,0,0,0,0|2,0,0]=4 4968 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100000709892_100009814033 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100009814033_100000709892 [0,2,0,0,0,0|2,0,0]=4 4970 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,2,0,0,0,0|0,0,1]=3 4971 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,2,0,0,0,0|1,0,1]=4 4972 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [0,2,0,0,0,0|1,0,1]=4 4973 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [0,2,0,0,0,0|1,0,1]=4 4974 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [0,2,0,0,0,0|0,0,2]=4 4975 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [0,2,0,0,0,0|1,0,1]=4 4976 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,2,0,0,0,0|1,0,1]=4 4977 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,2,0,0,0,0|1,0,1]=4 4978 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,2,0,0,0,0|1,0,1]=4 4979 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,2,0,0,0,0|1,0,1]=4 4980 B10R0.98 CC(=O)N(C)CCCN(C)C 240690a_100000225831_100015343762 [0,2,0,0,0,0|2,0,0]=4 4981 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,2,0,0,0,0|1,0,1]=4 4982 B10R0.98 CC(Br)CCOC(C)C(=O)N 34a_100009893172_100000702099 [0,2,0,0,0,0|1,0,0]=3 4983 B10R0.98 CC(Br)CCOC(F)C(=O)N 34a_100009893172_100009813875 [0,2,0,0,0,0|2,0,0]=4 4984 B10R0.98 CC(Br)CCOC(F)C(=O)[O-] 34a_100009893172_100020610796 [0,2,0,0,0,0|1,0,1]=4 4985 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,2,0,0,0,0|0,0,0]=2 4986 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,2,0,0,0,0|1,0,0]=3 4987 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,2,0,0,0,0|1,0,0]=3 4988 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,2,0,0,0,0|1,0,0]=3 4989 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,2,0,0,0,0|1,0,0]=3 4990 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,2,0,0,0,0|2,0,0]=4 4991 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,2,0,0,0,0|2,0,0]=4 4992 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,2,0,0,0,0|1,0,1]=4 4993 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,2,0,0,0,0|0,0,1]=3 4994 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,2,0,0,0,0|1,0,0]=3 4995 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,2,0,0,0,0|1,0,0]=3 4996 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,2,0,0,0,0|1,0,0]=3 4997 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,2,0,0,0,0|1,0,0]=3 4998 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,2,0,0,0,0|2,0,0]=4 4999 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,2,0,0,0,0|2,0,0]=4 5000 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,2,0,0,0,0|1,0,1]=4 5001 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,2,0,0,0,0|1,0,1]=4 5002 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,2,0,0,0,0|0,0,0]=2 5003 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,2,0,0,0,0|1,0,0]=3 5004 B10R0.98 CC(C)COCC(C)[N+](=O)[O-] 34a_100000039676_100000210624 [0,2,0,0,0,0|1,0,1]=4 5005 B10R0.98 CC(C)COCC(C)[N+](=O)[O-] 7a_100000039676_100000210760 [0,2,0,0,0,0|1,0,1]=4 5006 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,2,0,0,0,0|2,0,0]=4 5007 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,2,0,0,0,0|1,0,0]=3 5008 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 2230a_100000119354_100000709892 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 34a_100000119354_100000709892 [0,2,0,0,0,0|2,0,0]=4 5010 B10R0.98 CC(C)OCO[C@H](C)C(=O)N 34a_100000731257_100000709892 [0,2,0,0,0,0|2,0,0]=4 5011 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000702099_100000709892 [0,2,0,0,0,0|2,0,0]=4 5012 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000709892_100000702099 [0,2,0,0,0,0|2,0,0]=4 5013 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,2,0,0,0,0|1,0,1]=4 5014 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,2,0,0,0,0|1,0,1]=4 5015 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,2,0,0,0,0|1,0,0]=3 5016 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,2,0,0,0,0|0,0,0]=2 5017 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,2,0,0,0,0|2,0,0]=4 5018 B10R0.98 CC(COC[C@@H](C)O)[N+](=O)[O-] 34a_100000039676_100009817552 [0,2,0,0,0,0|1,0,1]=4 5019 B10R0.98 CC(COC[C@@H](C)O)[N+](=O)[O-] 7a_100000039676_100009817552 [0,2,0,0,0,0|1,0,1]=4 5020 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [0,2,0,0,0,0|1,0,0]=3 5021 B10R0.98 CC(O)CCNC(F)C(=O)N 2230a_200000755665_100009813875 [0,2,0,0,0,0|2,0,0]=4 5022 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,2,0,0,0,0|0,0,0]=2 5023 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [0,2,0,0,0,0|1,0,0]=3 5024 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [0,2,0,0,0,0|1,0,0]=3 5025 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,2,0,0,0,0|0,0,1]=3 5026 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,2,0,0,0,0|1,0,0]=3 5027 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,2,0,0,0,0|1,0,0]=3 5028 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,2,0,0,0,0|1,0,0]=3 5029 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,2,0,0,0,0|1,0,0]=3 5030 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100009813875_100012276601 [0,2,0,0,0,0|2,0,0]=4 5031 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100012276601_100009813875 [0,2,0,0,0,0|2,0,0]=4 5032 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100012276601_100020610796 [0,2,0,0,0,0|1,0,1]=4 5033 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100020610796_100012276601 [0,2,0,0,0,0|1,0,1]=4 5034 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,2,0,0,0,0|0,0,0]=2 5035 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,2,0,0,0,0|1,0,0]=3 5036 B10R0.98 CC(O)COCC(C)[N+](=O)[O-] 34a_100000039676_100011218427 [0,2,0,0,0,0|1,0,1]=4 5037 B10R0.98 CC(O)COCC(C)[N+](=O)[O-] 7a_100000039676_100011218427 [0,2,0,0,0,0|1,0,1]=4 5038 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.98 CC(OCCC(F)F)C(=O)N 34a_100103093639_100000702099 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,2,0,0,0,0|1,0,0]=3 5041 B10R0.98 CC(SCCN(C)C)C(=O)N 62a_100000702099_100000755713 [0,2,0,0,0,0|2,0,0]=4 5042 B10R0.98 C[C@@H](N)CCOC(F)C(=O)N 34a_100000706166_100009813875 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.98 C[C@@H](N)CCOC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,2,0,0,0,0|1,0,1]=4 5044 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,2,0,0,0,0|1,0,0]=3 5045 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,2,0,0,0,0|2,0,0]=4 5046 B10R0.98 C[C@@H](OCCN(C)C)C(=O)N 7a_100000731257_100000755713 [0,2,0,0,0,0|2,0,0]=4 5047 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,2,0,0,0,0|1,0,1]=4 5048 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,2,0,0,0,0|1,0,0]=3 5049 B10R0.98 C[C@H](OCCN(C)C)C(=O)[O-] 7a_217856618621_100000755713 [0,2,0,0,0,0|1,0,1]=4 5050 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,2,0,0,0,0|2,0,0]=4 5051 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,1,0,0|2,0,0]=4 5052 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 5053 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 5054 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 5055 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [1,0,0,1,0,0|2,0,0]=4 5056 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,1,0,0|2,0,0]=4 5057 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 5058 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 5059 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 5060 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|2,0,0]=4 5061 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|2,0,0]=4 5062 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|2,0,0]=4 5063 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|2,0,0]=4 5064 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|2,0,0]=4 5065 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|2,0,0]=4 5066 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|2,0,0]=4 5067 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|2,0,0]=4 5068 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|2,0,0]=4 5069 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|2,0,0]=4 5070 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|2,0,0]=4 5071 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|2,0,0]=4 5072 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|2,0,0]=4 5073 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|2,0,0]=4 5074 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|2,0,0]=4 5075 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|2,0,0]=4 5076 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 5077 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 5078 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 5079 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 5080 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 5081 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 5082 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [1,0,0,1,0,0|1,0,1]=4 5083 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [1,0,0,1,0,0|1,0,1]=4 5084 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [1,0,0,1,0,0|1,0,1]=4 5085 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [1,0,0,1,0,0|1,0,1]=4 5086 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [1,0,0,1,0,0|1,0,1]=4 5087 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [1,0,0,1,0,0|1,0,1]=4 5088 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|1,0,1]=4 5089 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|1,0,1]=4 5090 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [1,0,0,1,0,0|1,0,1]=4 5091 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [1,0,0,1,0,0|1,0,1]=4 5092 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [1,0,0,1,0,0|1,0,1]=4 5093 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [1,0,0,1,0,0|1,0,1]=4 5094 B8R1.38 C=CC(C)N1CCC1 269982a_100000754969_100011215867 [1,0,0,1,0,0|2,0,0]=4 5095 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [1,0,0,1,0,0|2,0,0]=4 5096 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [1,0,0,1,0,0|2,0,0]=4 5097 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [1,0,0,1,0,0|2,0,0]=4 5098 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [1,0,0,1,0,0|2,0,0]=4 5099 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [1,0,0,1,0,0|2,0,0]=4 5100 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [1,0,0,1,0,0|2,0,0]=4 5101 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [1,0,0,1,0,0|2,0,0]=4 5102 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [1,0,0,1,0,0|2,0,0]=4 5103 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [1,0,0,1,0,0|2,0,0]=4 5104 B8R1.38 C[C@H](CO)N1CCC1 269982a_100000754969_100016084084 [1,0,0,1,0,0|1,0,1]=4 5105 B8R1.40 C=CC(C)OC1CC1 34a_100000695699_100000211595 [1,0,0,1,0,0|2,0,0]=4 5106 B8R1.40 C=CC(C)SC1CC1 62a_100011215867_100000211595 [1,0,0,1,0,0|2,0,0]=4 5107 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [1,0,0,1,0,0|1,0,1]=4 5108 B8R1.40 CC(CO)SC1CC1 62a_100012180447_100000211595 [1,0,0,1,0,0|1,0,1]=4 5109 B8R1.40 CNC(C)CC1CC1 270004a_106832991635_200000686933 [1,0,0,1,0,0|2,0,0]=4 5110 B8R1.40 C[C@H](CO)SC1CC1 62a_100016084084_100000211595 [1,0,0,1,0,0|1,0,1]=4 5111 B8R1.41 CCOCC1(CO1)C 34a_100121572206_100000760498 [1,0,0,1,0,0|1,0,1]=4 5112 B8R1.41 CCSCC1(CO1)C 62a_100000210202_100000760498 [1,0,0,1,0,0|1,0,1]=4 5113 B8R1.41 CCSCC1(CO1)C 62a_100000760498_100000210202 [1,0,0,1,0,0|1,0,1]=4 5114 B8R1.47 CCN1CC(C1)CO 269982a_100016987283_100000204670 [1,0,0,1,0,0|1,0,1]=4 5115 B8R1.47 CCN1CC(C1)CO 34a_100016987283_100000210202 [1,0,0,1,0,0|1,0,1]=4 5116 B8R1.47 CNC1CC(C1)CO 270004a_106832991635_100000101936 [1,0,0,1,0,0|1,0,1]=4 5117 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [1,0,0,1,0,0|1,0,1]=4 5118 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [1,0,0,1,0,0|1,0,1]=4 5119 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [1,0,0,1,0,0|1,0,1]=4 5120 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [1,0,0,1,0,0|1,0,1]=4 5121 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [1,0,0,1,0,0|2,0,0]=4 5122 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [1,0,0,1,0,0|2,0,0]=4 5123 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [1,0,0,1,0,0|2,0,0]=4 5124 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [1,0,0,1,0,0|2,0,0]=4 5125 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [1,0,0,1,0,0|2,0,0]=4 5126 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [1,0,0,1,0,0|2,0,0]=4 5127 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [1,0,0,1,0,0|2,0,0]=4 5128 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [1,0,0,1,0,0|2,0,0]=4 5129 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [1,0,0,1,0,0|2,0,0]=4 5130 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [1,0,0,1,0,0|2,0,0]=4 5131 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 5132 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 5133 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 5134 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|2,0,0]=4 5135 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|2,0,0]=4 5136 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|2,0,0]=4 5137 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|2,0,0]=4 5138 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|2,0,0]=4 5139 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|2,0,0]=4 5140 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,0]=3 5141 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,0]=3 5142 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 5143 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|2,0,0]=4 5144 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|2,0,0]=4 5145 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|2,0,0]=4 5146 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|2,0,0]=4 5147 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 5148 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,0]=3 5149 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 5150 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|2,0,0]=4 5151 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 5152 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 5153 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 5154 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 5155 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,0]=3 5156 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,0]=3 5157 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 5158 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 5159 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 5160 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 5161 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 5162 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 5163 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 5164 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 5165 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 5166 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 5167 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|1,0,1]=4 5168 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 5169 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 5170 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 5171 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 5172 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|2,0,0]=4 5173 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 5174 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 5175 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 5176 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 5177 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 5178 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 5179 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 5180 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,0]=3 5181 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|1,0,1]=4 5182 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|1,0,1]=4 5183 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 5184 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 5185 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 5186 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,0,0,1,0,0|1,0,0]=3 5187 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [1,0,0,1,0,0|2,0,0]=4 5188 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [1,0,0,1,0,0|2,0,0]=4 5189 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [1,0,0,1,0,0|2,0,0]=4 5190 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [1,0,0,1,0,0|2,0,0]=4 5191 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [1,0,0,1,0,0|2,0,0]=4 5192 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [1,0,0,1,0,0|2,0,0]=4 5193 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,0,0,1,0,0|1,0,0]=3 5194 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [1,0,0,1,0,0|2,0,0]=4 5195 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [1,0,0,1,0,0|2,0,0]=4 5196 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [1,0,0,1,0,0|2,0,0]=4 5197 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 5198 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [1,0,0,1,0,0|2,0,0]=4 5199 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [1,0,0,1,0,0|2,0,0]=4 5200 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [1,0,0,1,0,0|2,0,0]=4 5201 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [1,0,0,1,0,0|2,0,0]=4 5202 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [1,0,0,1,0,0|2,0,0]=4 5203 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [1,0,0,1,0,0|1,0,0]=3 5204 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [1,0,0,1,0,0|2,0,0]=4 5205 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [1,0,0,1,0,0|2,0,0]=4 5206 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [1,0,0,1,0,0|1,0,0]=3 5207 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [1,0,0,1,0,0|2,0,0]=4 5208 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [1,0,0,1,0,0|2,0,0]=4 5209 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,0,0,1,0,1|2,0,0]=4 5210 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,0,0,1,0,1|2,0,0]=4 5211 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,0,0,1,0,1|2,0,0]=4 5212 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,0,0,1,0,1|2,0,0]=4 5213 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,0,0,1,0,1|1,0,0]=3 5214 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,0,0,1,0,1|1,0,0]=3 5215 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,0,0,1,0,1|2,0,0]=4 5216 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,0,0,1,0,1|2,0,0]=4 5217 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,0,0,1,0,1|2,0,0]=4 5218 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,0,0,1,0,1|2,0,0]=4 5219 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,0,0,1,0,1|2,0,0]=4 5220 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,0,0,1,0,1|2,0,0]=4 5221 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,0,0,1,0,1|1,0,0]=3 5222 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,0,0,1,0,1|1,0,1]=4 5223 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,0,0,1,0,1|2,0,0]=4 5224 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,0,0,1,0,1|2,0,0]=4 5225 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,0,0,1,0,1|2,0,0]=4 5226 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,0,0,1,0,1|2,0,0]=4 5227 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,0,0,1,0,1|1,0,0]=3 5228 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,0,0,1,0,1|1,0,0]=3 5229 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,0,0,1,0,1|1,0,1]=4 5230 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,0,0,1,0,1|1,0,1]=4 5231 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,0,0,1,0,1|2,0,0]=4 5232 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,0,0,1,0,1|2,0,0]=4 5233 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,0,0,1,0,1|1,0,0]=3 5234 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,0,0,1,0,1|1,0,0]=3 5235 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,0,0,1,0,1|2,0,0]=4 5236 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,0,0,1,0,1|2,0,0]=4 5237 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,0,0,1,0,1|1,0,0]=3 5238 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,0,0,1,0,1|1,0,0]=3 5239 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,0,0,1,0,1|2,0,0]=4 5240 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,0,0,1,0,1|2,0,0]=4 5241 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,0,0,1,0,1|2,0,0]=4 5242 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,0,0,1,0,1|2,0,0]=4 5243 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,0,0,1,0,1|2,0,0]=4 5244 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015307671_100015361967 [0,0,0,1,0,1|2,0,0]=4 5245 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015361967_100015307671 [0,0,0,1,0,1|2,0,0]=4 5246 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,0,0,1,0,1|2,0,0]=4 5247 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,0,0,1,0,1|2,0,0]=4 5248 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,0,0,1,0,1|2,0,0]=4 5249 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,0,0,1,0,1|2,0,0]=4 5250 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,0,0,1,0,1|2,0,0]=4 5251 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,0,0,1,0,1|2,0,0]=4 5252 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,0,0,1,0,1|2,0,0]=4 5253 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,0,0,1,0,1|2,0,0]=4 5254 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,1,0,1|1,0,1]=4 5255 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,1,0,1|1,0,0]=3 5256 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,1,0,1|1,0,0]=3 5257 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,1,0,1|2,0,0]=4 5258 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,1,0,1|2,0,0]=4 5259 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,1,0,1|2,0,0]=4 5260 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,1,0,1|2,0,0]=4 5261 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,1,0,1|2,0,0]=4 5262 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,1,0,1|2,0,0]=4 5263 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,0,1,0,1|2,0,0]=4 5264 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,1,0,1|1,0,0]=3 5265 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,1,0,1|1,0,0]=3 5266 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,1,0,1|1,0,0]=3 5267 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,1,0,1|1,0,0]=3 5268 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,1,0,1|2,0,0]=4 5269 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,1,0,1|2,0,0]=4 5270 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,1,0,1|2,0,0]=4 5271 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,1,0,1|2,0,0]=4 5272 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,0,0,1,0,1|2,0,0]=4 5273 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,0,0,1,0,1|2,0,0]=4 5274 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,0,0,1,0,1|2,0,0]=4 5275 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,0,0,1,0,1|2,0,0]=4 5276 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,0,1,0,1|2,0,0]=4 5277 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,0,1,0,1|2,0,0]=4 5278 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,0,1,0,1|2,0,0]=4 5279 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,0,1,0,1|2,0,0]=4 5280 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,1,0,1|1,0,1]=4 5281 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,1,0,1|1,0,0]=3 5282 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,1,0,1|2,0,0]=4 5283 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,1,0,1|2,0,0]=4 5284 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,1,0,1|2,0,0]=4 5285 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,0,1,0,1|2,0,0]=4 5286 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,0,0,1,0,1|2,0,0]=4 5287 B10R1.54 CC(=O)NC1CCN(C1)C 1626a_100000744687_100015343762 [0,0,0,1,0,1|2,0,0]=4 5288 B10R1.54 CC(=O)NC1CCN(C1)C 240690a_100000744687_100015343762 [0,0,0,1,0,1|2,0,0]=4 5289 B10R1.54 CC(=O)NC1CCN(C1)C 527a_100000744687_100103153847 [0,0,0,1,0,1|2,0,0]=4 5290 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 2230a_100016989438_200000210301 [0,0,0,1,0,1|2,0,0]=4 5291 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 269982a_100016989438_200000210301 [0,0,0,1,0,1|2,0,0]=4 5292 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 2230a_100016989438_200025704644 [0,0,0,1,0,1|2,0,0]=4 5293 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 269982a_100016989438_200025704644 [0,0,0,1,0,1|2,0,0]=4 5294 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 5295 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 5296 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,1,0,1|1,0,0]=3 5297 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 2230a_100016987628_100000747473 [0,0,0,1,0,1|2,0,0]=4 5298 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 269982a_100016987628_100000187820 [0,0,0,1,0,1|2,0,0]=4 5299 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 34a_100016987628_100000187820 [0,0,0,1,0,1|2,0,0]=4 5300 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016987628_100020667443 [0,0,0,1,0,1|1,0,1]=4 5301 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 34a_100016987628_100020667443 [0,0,0,1,0,1|1,0,1]=4 5302 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,1,0,1|1,0,0]=3 5303 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,1|1,0,0]=3 5304 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,0,1,0,1|2,0,0]=4 5305 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,1|1,0,0]=3 5306 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,1|1,0,0]=3 5307 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,1|1,0,0]=3 5308 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,1|1,0,0]=3 5309 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,0,0,1,0,1|2,0,0]=4 5310 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,0,0,1,0,1|2,0,0]=4 5311 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,0,0,1,0,1|2,0,0]=4 5312 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,0,0,1,0,1|2,0,0]=4 5313 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,1|1,0,0]=3 5314 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,0,0,1,0,1|2,0,0]=4 5315 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,0,0,1,0,1|2,0,0]=4 5316 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,0,0,1,0,1|2,0,0]=4 5317 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,0,1,0,1|1,0,0]=3 5318 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,0,0,1,0,1|2,0,0]=4 5319 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,0,0,1,0,1|2,0,0]=4 5320 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,0,0,1,0,1|2,0,0]=4 5321 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,0,0,1,0,1|2,0,0]=4 5322 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,0,1,0,1|2,0,0]=4 5323 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,0,0,1,0,1|2,0,0]=4 5324 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,0,0,1,0,1|2,0,0]=4 5325 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,0,0,1,0,1|2,0,0]=4 5326 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,0,1,0,1|1,0,0]=3 5327 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,0,0,1,0,1|2,0,0]=4 5328 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,0,0,1,0,1|2,0,0]=4 5329 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,0,0,1,0,1|2,0,0]=4 5330 B10R1.168 CC(=O)NC1CC(C1)CO 240690a_100000095622_100015343762 [0,0,0,1,0,1|2,0,0]=4 5331 B10R1.168 CC(=O)NC1CC(C1)CO 527a_100000095622_100103153847 [0,0,0,1,0,1|2,0,0]=4 5332 B10R1.168 CCC1CN(C1)CC(=O)N 2230a_100015205115_100000747473 [0,0,0,1,0,1|2,0,0]=4 5333 B10R1.168 CCC1CN(C1)CC(=O)N 269982a_100015205115_100000187820 [0,0,0,1,0,1|2,0,0]=4 5334 B10R1.168 CCC1CN(C1)CC(=O)[O-] 269982a_100015205115_100020667443 [0,0,0,1,0,1|1,0,1]=4 5335 B10R1.168 CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210202 [0,0,0,1,0,1|1,0,0]=3 5336 B10R1.168 CCN1CC(C1)NC(=O)C 11a_200015199589_100015343762 [0,0,0,1,0,1|2,0,0]=4 5337 B10R1.168 CCN1CC(C1)NC(=O)C 1626a_200015199589_100015343762 [0,0,0,1,0,1|2,0,0]=4 5338 B10R1.168 CCN1CC(C1)NC(=O)C 240690a_200015199589_100015343762 [0,0,0,1,0,1|2,0,0]=4 5339 B10R1.168 CCN1CC(C1)OC(=O)C 269982a_100016994906_100000204670 [0,0,0,1,0,1|2,0,0]=4 5340 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 11a_100121570643_100015343762 [0,0,0,1,0,1|2,0,0]=4 5341 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 1626a_100121570643_100015343762 [0,0,0,1,0,1|2,0,0]=4 5342 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 240690a_100121570643_100015343762 [0,0,0,1,0,1|2,0,0]=4 5343 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 527a_100121570643_100103153847 [0,0,0,1,0,1|2,0,0]=4 5344 B10R1.168 O=C(O)CC1CN(C1)CF 269956a_100016993960_100015361967 [0,0,0,1,0,1|2,0,0]=4 5345 B10R1.192 CC(=O)N1C(CCC1C)C 11a_100000687148_100015343762 [0,0,0,1,0,1|1,0,0]=3 5346 B10R1.192 CC(=O)N1C(CCC1C)C 240690a_100000687148_100015343762 [0,0,0,1,0,1|1,0,0]=3 5347 B10R1.192 CC(=O)N1C(CCC1C)C 527a_100000687148_100103153847 [0,0,0,1,0,1|1,0,0]=3 5348 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,0,0,1,0,1|1,0,0]=3 5349 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,0,0,1,0,1|1,0,0]=3 5350 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,0,0,1,0,1|1,0,0]=3 5351 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,0,0,1,0,1|1,0,0]=3 5352 B10R1.266 CC(=O)OC(C)N1CCC1 269982a_100000754969_100009818208 [0,0,0,1,0,1|2,0,0]=4 5353 B10R1.266 CN(CC(=O)N)C1CCC1 2230a_100000758072_100000747473 [0,0,0,1,0,1|2,0,0]=4 5354 B10R1.266 CN(CC(=O)N)C1CCC1 269982a_100000758072_100000187820 [0,0,0,1,0,1|2,0,0]=4 5355 B10R1.266 CN(CC(=O)N)C1CCC1 270004a_100000739694_100000241760 [0,0,0,1,0,1|2,0,0]=4 5356 B10R1.266 CN(CC(=O)N)C1CCC1 34a_100000758072_100000187820 [0,0,0,1,0,1|2,0,0]=4 5357 B10R1.266 CN(CC(=O)O)C1CCC1 269956a_100000746989_100000749161 [0,0,0,1,0,1|1,0,0]=3 5358 B10R1.266 CN(CC(=O)O)C1COC1 269956a_100000746989_100009818527 [0,0,0,1,0,1|2,0,0]=4 5359 B10R1.266 CN(CC(=O)[O-])C1CCC1 269982a_100000758072_100020667443 [0,0,0,1,0,1|1,0,1]=4 5360 B10R1.266 CN(CC(=O)[O-])C1CCC1 34a_100000758072_100020667443 [0,0,0,1,0,1|1,0,1]=4 5361 B10R1.268 CC(=O)OC(C)SC1CC1 62a_100009818208_100000211595 [0,0,0,1,0,1|2,0,0]=4 5362 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000739694_100000742324 [0,0,0,1,0,1|2,0,0]=4 5363 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000741881_100000747473 [0,0,0,1,0,1|2,0,0]=4 5364 B10R1.268 CN(CC(=O)N)CC1CC1 269982a_100000741881_100000187820 [0,0,0,1,0,1|2,0,0]=4 5365 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [0,0,0,1,0,1|1,0,0]=3 5366 B10R1.268 CN(CC(=O)O)CC1CO1 269956a_100000746989_102125554688 [0,0,0,1,0,1|2,0,0]=4 5367 B10R1.268 CN(CC(=O)O)CC1CS1 269956a_100000746989_100000031435 [0,0,0,1,0,1|2,0,0]=4 5368 B10R1.268 CN(CC(=O)O)C[C@@H]1CO1 269956a_100000746989_100000745022 [0,0,0,1,0,1|2,0,0]=4 5369 B10R1.268 CN(CC(=O)[O-])CC1CC1 269982a_100000741881_100020667443 [0,0,0,1,0,1|1,0,1]=4 5370 B10R1.370 CC(=O)NC1(CCOC1)C 11a_100000693475_100015343762 [0,0,0,1,0,1|2,0,0]=4 5371 B10R1.370 CC(=O)NC1(CCOC1)C 1626a_100000693475_100015343762 [0,0,0,1,0,1|2,0,0]=4 5372 B10R1.370 CC(=O)NC1(CCOC1)C 240690a_100000693475_100015343762 [0,0,0,1,0,1|2,0,0]=4 5373 B10R1.370 CC(=O)NC1(CCOC1)C 527a_100000693475_100103153847 [0,0,0,1,0,1|2,0,0]=4 5374 B10R1.23 CC(=O)C(C)N1CCCC1 1458a_100025750167_200000210301 [0,1,0,1,0,0|1,0,0]=3 5375 B10R1.23 CC(=O)C(C)N1CCCC1 2230a_100000188435_100009814033 [0,1,0,1,0,0|1,0,0]=3 5376 B10R1.23 CC(=O)C(C)N1CCCC1 269982a_100000188435_100009814033 [0,1,0,1,0,0|1,0,0]=3 5377 B10R1.23 CC(=O)C(C)N1CCSC1 2230a_100011215254_100009814033 [0,1,0,1,0,0|2,0,0]=4 5378 B10R1.23 CC(=O)C(C)N1CCSC1 269982a_100011215254_100009814033 [0,1,0,1,0,0|2,0,0]=4 5379 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 5380 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 5381 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 5382 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,1,0,1,0,0|2,0,0]=4 5383 B10R1.23 CC(=O)N(C)C1CCOC1 11a_100016988252_100015343762 [0,1,0,1,0,0|2,0,0]=4 5384 B10R1.23 CC(=O)N(C)C1CCOC1 1626a_100016988252_100015343762 [0,1,0,1,0,0|2,0,0]=4 5385 B10R1.23 CC(=O)N(C)C1CCOC1 240690a_100016988252_100015343762 [0,1,0,1,0,0|2,0,0]=4 5386 B10R1.23 CC(=O)N(C)C1CCOC1 527a_100016988252_100103153847 [0,1,0,1,0,0|2,0,0]=4 5387 B10R1.23 CC(C(=O)N)N1CCCC1 2230a_100000188435_100000702099 [0,1,0,1,0,0|1,0,0]=3 5388 B10R1.23 CC(C(=O)N)N1CCCC1 269982a_100000188435_100000184083 [0,1,0,1,0,0|1,0,0]=3 5389 B10R1.23 CC(C(=O)N)N1CCSC1 2230a_100011215254_100000702099 [0,1,0,1,0,0|2,0,0]=4 5390 B10R1.23 CC(C(=O)N)N1CCSC1 269982a_100011215254_100000184083 [0,1,0,1,0,0|2,0,0]=4 5391 B10R1.23 CC(C(=O)[13CH3])N1CCCC1 1458a_100025750167_200025704644 [0,1,0,1,0,0|1,0,0]=3 5392 B10R1.23 NC(=O)C(F)N1CCCC1 2230a_100000188435_100009813875 [0,1,0,1,0,0|2,0,0]=4 5393 B10R1.23 NC(=O)C(F)N1CCCC1 269982a_100000188435_100009813875 [0,1,0,1,0,0|2,0,0]=4 5394 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,1,0,1,0,0|2,0,0]=4 5395 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 5396 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,1,0,1,0,0|2,0,0]=4 5397 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 5398 B10R1.81 CC(=O)C(C)N1CC(C1)C 2230a_100000702820_100009814033 [0,1,0,1,0,0|2,0,0]=4 5399 B10R1.81 CC(=O)C(C)N1CC(C1)C 269982a_100000702820_100009814033 [0,1,0,1,0,0|2,0,0]=4 5400 B10R1.81 CC(=O)C(C)N1CC(C1)F 2230a_100000690557_100009814033 [0,1,0,1,0,0|2,0,0]=4 5401 B10R1.81 CC(=O)C(C)N1CC(C1)F 269982a_100000690557_100009814033 [0,1,0,1,0,0|2,0,0]=4 5402 B10R1.81 CC(=O)C(C)N1CC(C1)O 269982a_100000749847_100009814033 [0,1,0,1,0,0|2,0,0]=4 5403 B10R1.81 CC(C(=O)N)N1CC(C1)F 2230a_100000690557_100000702099 [0,1,0,1,0,0|2,0,0]=4 5404 B10R1.81 CC(C(=O)N)N1CC(C1)F 269982a_100000690557_100000184083 [0,1,0,1,0,0|2,0,0]=4 5405 B10R1.81 CC(C(=O)N)N1CC(C1)F 34a_100000690557_100000702099 [0,1,0,1,0,0|2,0,0]=4 5406 B10R1.81 CC(C(=O)N)N1CC(C1)O 269982a_100000749847_100000184083 [0,1,0,1,0,0|2,0,0]=4 5407 B10R1.81 CC1CN(C1)C(C)C(=O)N 2230a_100000702820_100000702099 [0,1,0,1,0,0|2,0,0]=4 5408 B10R1.81 CC1CN(C1)C(C)C(=O)N 269982a_100000702820_100000184083 [0,1,0,1,0,0|2,0,0]=4 5409 B10R1.81 CC1CN(C1)C(C)C(=O)N 34a_100000702820_100000702099 [0,1,0,1,0,0|2,0,0]=4 5410 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|1,0,0]=3 5411 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,1,0,1,0,0|2,0,0]=4 5412 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,1,0,1,0,0|2,0,0]=4 5413 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,1,0,1,0,0|2,0,0]=4 5414 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,1,0,1,0,0|2,0,0]=4 5415 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|1,0,1]=4 5416 B10R1.139 CCCN(C)C1CCC1=O 269982a_100000747261_100009892977 [0,1,0,1,0,0|2,0,0]=4 5417 B10R1.278 CC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000179758 [0,1,0,1,0,0|1,0,1]=4 5418 B10R1.278 CC(=O)C(C)N(C)C1CC1 2230a_100000226674_100009814033 [0,1,0,1,0,0|2,0,0]=4 5419 B10R1.278 CC(=O)C(C)N(C)C1CC1 269982a_100000226674_100009814033 [0,1,0,1,0,0|2,0,0]=4 5420 B10R1.278 CC(C(=O)N)C(=O)C1CC1 1458a_100000210395_100000702099 [0,1,0,1,0,0|1,0,1]=4 5421 B10R1.278 CC(C(=O)N)N(C)C1CC1 2230a_100000226674_100000702099 [0,1,0,1,0,0|2,0,0]=4 5422 B10R1.278 CC(C(=O)N)N(C)C1CC1 269982a_100000226674_100000184083 [0,1,0,1,0,0|2,0,0]=4 5423 B10R1.278 CC(C(=O)O)N(C)C1CC1 269956a_100000749554_100000211595 [0,1,0,1,0,0|1,0,0]=3 5424 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,1,0,0|0,0,0]=2 5425 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,1,0,0|0,0,0]=2 5426 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,1,0,1,0,0|1,0,1]=4 5427 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,1,0,1,0,0|1,0,1]=4 5428 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,1,0,1,0,0|1,0,1]=4 5429 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|1,0,0]=3 5430 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|1,0,0]=3 5431 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,1,0,1,0,0|2,0,0]=4 5432 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,1,0,0|2,0,0]=4 5433 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,1,0,0|2,0,0]=4 5434 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 5435 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 5436 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 5437 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,1,0,1,0,0|2,0,0]=4 5438 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,1,0,0|2,0,0]=4 5439 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,1,0,0|2,0,0]=4 5440 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|1,0,0]=3 5441 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,1,0,1,0,0|1,0,1]=4 5442 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 5443 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 5444 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 5445 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,1,0,0|1,0,0]=3 5446 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,1,0,1,0,0|2,0,0]=4 5447 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|1,0,0]=3 5448 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|1,0,0]=3 5449 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 5450 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 5451 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 5452 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,1,0,0|1,0,0]=3 5453 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,1,0,1,0,0|2,0,0]=4 5454 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,1,0,1,0,0|2,0,0]=4 5455 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,1,0,1,0,0|2,0,0]=4 5456 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|1,0,1]=4 5457 B10R1.117 CC(Br)COC1CCC1=O 34a_100012180447_100009892977 [0,1,0,1,0,0|2,0,0]=4 5458 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,1,0,1,0,0|2,0,0]=4 5459 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,1,0,1,0,0|2,0,0]=4 5460 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,1,0,1,0,0|2,0,0]=4 5461 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,1,0,1,0,0|2,0,0]=4 5462 B10R1.117 CC(F)COC1CCC1=O 34a_100015925927_100009892977 [0,1,0,1,0,0|2,0,0]=4 5463 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,1,0,1,0,0|2,0,0]=4 5464 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,1,0,1,0,0|2,0,0]=4 5465 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,1,0,1,0,0|2,0,0]=4 5466 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 5467 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 5468 B10R1.117 C[C@@H](Cl)COC1CCC1=O 34a_100016084084_100009892977 [0,1,0,1,0,0|2,0,0]=4 5469 B10R1.117 C[C@@H](N)COC1CCC1=O 34a_100000737577_100009892977 [0,1,0,1,0,0|2,0,0]=4 5470 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,1,0,1,0,0|2,0,0]=4 5471 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,1,0,1,0,0|2,0,0]=4 5472 B10R1.190 CC(=O)C(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100009814033 [0,1,0,1,0,0|2,0,0]=4 5473 B10R1.190 CC(=O)C(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100009814033 [0,1,0,1,0,0|2,0,0]=4 5474 B10R1.190 CC(N[C@@H]1C[C@@H]1F)C(=O)N 2230a_100015190264_100000702099 [0,1,0,1,0,0|2,0,0]=4 5475 B10R1.190 CC(N[C@@H]1C[C@H]1F)C(=O)N 2230a_100025746932_100000702099 [0,1,0,1,0,0|2,0,0]=4 5476 B10R1.190 CC(N[C@@H]1C[C@H]1F)C(=O)N 34a_100025746932_100000702099 [0,1,0,1,0,0|2,0,0]=4 5477 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,1,0,1,0,0|1,0,0]=3 5478 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,1,0,1,0,0|1,0,0]=3 5479 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,1,0,1,0,0|1,0,0]=3 5480 B10R1.205 CC(=O)C(C)OCC1CO1 34a_100000212229_102125554688 [0,1,0,1,0,0|2,0,0]=4 5481 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,1,0,1,0,0|1,0,0]=3 5482 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,1,0,1,0,0|1,0,0]=3 5483 B10R1.205 CC(=O)C(C)SCC1CO1 62a_100009814033_102125554688 [0,1,0,1,0,0|2,0,0]=4 5484 B10R1.205 CC(=O)C(C)SCC1CO1 62a_102125554688_100009814033 [0,1,0,1,0,0|2,0,0]=4 5485 B10R1.205 CC(=O)C(C)SCC1CS1 62a_100000031435_100009814033 [0,1,0,1,0,0|2,0,0]=4 5486 B10R1.205 CC(=O)C(C)SCC1CS1 62a_100009814033_100000031435 [0,1,0,1,0,0|2,0,0]=4 5487 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100000745022_100009814033 [0,1,0,1,0,0|2,0,0]=4 5488 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100009814033_100000745022 [0,1,0,1,0,0|2,0,0]=4 5489 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,1,0,1,0,0|0,0,0]=2 5490 B10R1.205 CC(COC1CC1)[N+](=O)[O-] 34a_100000039676_100000211595 [0,1,0,1,0,0|1,0,1]=4 5491 B10R1.205 CC(NCC1CC1)C(=O)N 2230a_100000735609_100000702099 [0,1,0,1,0,0|1,0,0]=3 5492 B10R1.205 CC(NCC1CC1)C(=O)N 34a_100000735609_100000702099 [0,1,0,1,0,0|1,0,0]=3 5493 B10R1.205 CC(OCC1CC1)C(=O)N 34a_100000211283_100000702099 [0,1,0,1,0,0|1,0,0]=3 5494 B10R1.205 CC(OC[C@@H]1CO1)C(=O)N 34a_100000757423_100000702099 [0,1,0,1,0,0|2,0,0]=4 5495 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000702099_100000742324 [0,1,0,1,0,0|1,0,0]=3 5496 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000756562_100000702099 [0,1,0,1,0,0|1,0,0]=3 5497 B10R1.205 CC(SCC1CO1)C(=O)N 62a_100000702099_102125554688 [0,1,0,1,0,0|2,0,0]=4 5498 B10R1.205 CC(SCC1CO1)C(=O)N 62a_102125554688_100000702099 [0,1,0,1,0,0|2,0,0]=4 5499 B10R1.205 CC(SCC1CS1)C(=O)N 62a_100000031435_100000702099 [0,1,0,1,0,0|2,0,0]=4 5500 B10R1.205 CC(SCC1CS1)C(=O)N 62a_100000702099_100000031435 [0,1,0,1,0,0|2,0,0]=4 5501 B10R1.205 CC(SC[C@@H]1CO1)C(=O)N 62a_100000702099_100000745022 [0,1,0,1,0,0|2,0,0]=4 5502 B10R1.205 CC(SC[C@@H]1CO1)C(=O)N 62a_100000745022_100000702099 [0,1,0,1,0,0|2,0,0]=4 5503 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 2230a_100000119354_100000742324 [0,1,0,1,0,0|1,0,0]=3 5504 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 34a_100000119354_100000742324 [0,1,0,1,0,0|1,0,0]=3 5505 B10R1.205 C[C@@H](NCC1CO1)C(=O)N 2230a_100000119354_100011216344 [0,1,0,1,0,0|2,0,0]=4 5506 B10R1.205 C[C@@H](NCC1CO1)C(=O)N 34a_100000119354_102125554688 [0,1,0,1,0,0|2,0,0]=4 5507 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 34a_100000731257_100000742324 [0,1,0,1,0,0|1,0,0]=3 5508 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 7a_100000731257_100000742324 [0,1,0,1,0,0|1,0,0]=3 5509 B10R1.205 C[C@@H](OCC1CO1)C(=O)N 34a_100000731257_102125554688 [0,1,0,1,0,0|2,0,0]=4 5510 B10R1.205 C[C@@H](OCC1CO1)C(=O)N 7a_100000731257_102125554688 [0,1,0,1,0,0|2,0,0]=4 5511 B10R1.205 C[C@@H](OCC1CS1)C(=O)N 7a_100000731257_100000031435 [0,1,0,1,0,0|2,0,0]=4 5512 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 5513 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,1,0,1,0,0|0,0,0]=2 5514 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,1,0,1,0,0|1,0,0]=3 5515 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,1,0,1,0,0|1,0,0]=3 5516 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 5517 B10R1.205 C[C@H](OCC1CC1)C(=O)[O-] 7a_217856618621_100000742324 [0,1,0,1,0,0|0,0,1]=3 5518 B10R1.205 C[C@H](OCC1CO1)C(=O)[O-] 7a_217856618621_102125554688 [0,1,0,1,0,0|1,0,1]=4 5519 B10R1.205 C[C@H](OCC1CS1)C(=O)[O-] 7a_217856618621_100000031435 [0,1,0,1,0,0|1,0,1]=4 5520 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 5521 B10R1.205 NC(=O)C(F)NCC1CC1 2230a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 5522 B10R1.205 NC(=O)C(F)NCC1CC1 34a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 5523 B10R1.205 NC(=O)C(F)OCC1CC1 34a_100000211283_100009813875 [0,1,0,1,0,0|2,0,0]=4 5524 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100000756562_100009813875 [0,1,0,1,0,0|2,0,0]=4 5525 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100009813875_100000742324 [0,1,0,1,0,0|2,0,0]=4 5526 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,1,0,1,0,0|2,0,0]=4 5527 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,1,0,1,0,0|1,0,0]=3 5528 B10R1.205 O=C([O-])C(F)NCC1CC1 34a_100000735609_100020610796 [0,1,0,1,0,0|1,0,1]=4 5529 B10R1.205 O=C([O-])C(F)OCC1CC1 34a_100000211283_100020610796 [0,1,0,1,0,0|1,0,1]=4 5530 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100000756562_100020610796 [0,1,0,1,0,0|1,0,1]=4 5531 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100020610796_100000742324 [0,1,0,1,0,0|1,0,1]=4 5532 B10R1.349 CC(=O)C1CN(C1)C(C)C 1458a_100011935012_200000210301 [0,1,0,1,0,0|2,0,0]=4 5533 B10R1.349 CC(C)N1CC(C1)C(=O)N 34a_100025753142_100000210206 [0,1,0,1,0,0|2,0,0]=4 5534 B10R1.349 CC(C)N1CC(C1)C(=O)[13CH3] 1458a_100011935012_200025704644 [0,1,0,1,0,0|2,0,0]=4 5535 B10R1.359 CC(=O)C1CCC(C1)(F)F 1458a_100000696201_200000210301 [0,1,0,1,0,0|2,0,0]=4 5536 B10R1.359 CC(=O)N1CCC(C1)(C)C 11a_100000764714_100015343762 [0,1,0,1,0,0|2,0,0]=4 5537 B10R1.359 CC(=O)N1CCC(C1)(C)C 1626a_100000764714_100015343762 [0,1,0,1,0,0|2,0,0]=4 5538 B10R1.359 CC(=O)N1CCC(C1)(C)C 240690a_100000764714_100015343762 [0,1,0,1,0,0|2,0,0]=4 5539 B10R1.359 CC(=O)N1CCC(C1)(C)C 527a_100000764714_100103153847 [0,1,0,1,0,0|2,0,0]=4 5540 B10R1.359 CC(=O)N1CCC(C1)(C)O 11a_100000718628_100015343762 [0,1,0,1,0,0|2,0,0]=4 5541 B10R1.359 CC(=O)N1CCC(C1)(C)O 240690a_100000718628_100015343762 [0,1,0,1,0,0|2,0,0]=4 5542 B10R1.359 CC(=O)N1CCC(C1)(C)O 527a_100000718628_100103153847 [0,1,0,1,0,0|2,0,0]=4 5543 B10R1.359 [13CH3]C(=O)C1CCC(C1)(F)F 1458a_100000696201_200025704644 [0,1,0,1,0,0|2,0,0]=4 5544 B10R1.470 CC(=O)C1(CCN(C1)C)C 1458a_100011814562_200000210301 [0,1,0,1,0,0|2,0,0]=4 5545 B10R1.470 CN1CCC(C1)(C)C(=O)[13CH3] 1458a_100011814562_200025704644 [0,1,0,1,0,0|2,0,0]=4 5546 B10R1.14 C=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_200121576911 [0,1,0,1,0,0|2,0,0]=4 5547 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|2,0,0]=4 5548 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [0,1,0,1,0,0|2,0,0]=4 5549 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 5550 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 5551 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 5552 B10R1.14 CN1CCC(C1)C(=O)CF 1458a_100000739633_100015361967 [0,1,0,1,0,0|2,0,0]=4 5553 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 5554 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 5555 B10R1.14 CNC(=O)C1CCN(C1)C 2230a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 5556 B10R1.14 CNC(=O)C1CCN(C1)C 240690a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 5557 B10R1.14 CNC(=O)C1CCN(C1)C 269982a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 5558 B10R1.14 CNC(=O)C1CCN(C1)C 34a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 5559 B10R1.14 CNC(=O)C1CCN(C1)C 527a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 5560 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 2230a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 5561 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 269982a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 5562 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 34a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 5563 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 5564 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 5565 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,1,0,0|1,0,0]=3 5566 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,1,0,0|1,0,0]=3 5567 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,1,0,0|1,0,0]=3 5568 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,1,0,0|1,0,0]=3 5569 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,1,0,0|1,0,0]=3 5570 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,1,0,0|1,0,0]=3 5571 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|2,0,0]=4 5572 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 5573 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 5574 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [0,1,0,1,0,0|2,0,0]=4 5575 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [0,1,0,1,0,0|2,0,0]=4 5576 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,1,0,0|1,0,0]=3 5577 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,1,0,0|2,0,0]=4 5578 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,1,0,0|2,0,0]=4 5579 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|1,0,0]=3 5580 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,1,0,0|2,0,0]=4 5581 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,1,0,0|2,0,0]=4 5582 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|1,0,1]=4 5583 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|1,0,1]=4 5584 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|1,0,0]=3 5585 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|1,0,0]=3 5586 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|2,0,0]=4 5587 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|2,0,0]=4 5588 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|2,0,0]=4 5589 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,1,0,0|2,0,0]=4 5590 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,1,0,0|2,0,0]=4 5591 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,1,0,0|2,0,0]=4 5592 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|1,0,0]=3 5593 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 5594 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 5595 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 5596 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|2,0,0]=4 5597 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 5598 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 5599 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 5600 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,1,0,0|2,0,0]=4 5601 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,1,0,0|2,0,0]=4 5602 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,1,0,0|2,0,0]=4 5603 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,1,0,0|2,0,0]=4 5604 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,1,0,0|2,0,0]=4 5605 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,1,0,0|2,0,0]=4 5606 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,1,0,0|2,0,0]=4 5607 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,1,0,0|2,0,0]=4 5608 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,1,0,0|2,0,0]=4 5609 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,1,0,0|2,0,0]=4 5610 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,1,0,0|2,0,0]=4 5611 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,1,0,0|2,0,0]=4 5612 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|1,0,1]=4 5613 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|1,0,1]=4 5614 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|1,0,0]=3 5615 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|2,0,0]=4 5616 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,1,0,0|2,0,0]=4 5617 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,1,0,0|2,0,0]=4 5618 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,1,0,0|2,0,0]=4 5619 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|0,0,2]=4 5620 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|0,0,0]=2 5621 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|1,0,0]=3 5622 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|1,0,0]=3 5623 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,1,0,0|2,0,0]=4 5624 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 5625 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 5626 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 5627 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 5628 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|1,0,0]=3 5629 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 5630 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 5631 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 5632 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 5633 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|1,0,0]=3 5634 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|1,0,0]=3 5635 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|1,0,0]=3 5636 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|1,0,0]=3 5637 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 5638 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 5639 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|1,0,0]=3 5640 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|1,0,0]=3 5641 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|1,0,0]=3 5642 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|1,0,0]=3 5643 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,1,0,0|2,0,0]=4 5644 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,1,0,0|2,0,0]=4 5645 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,1,0,0|1,0,0]=3 5646 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,1,0,0|1,0,0]=3 5647 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|2,0,0]=4 5648 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|2,0,0]=4 5649 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|1,0,0]=3 5650 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,1,0,0|2,0,0]=4 5651 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|2,0,0]=4 5652 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|2,0,0]=4 5653 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|1,0,0]=3 5654 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|1,0,0]=3 5655 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,1,0,1,0,0|2,0,0]=4 5656 B10R1.29 COCN[C@@H]1CONC1=O 2230a_100000765999_100000766300 [0,1,0,1,0,0|2,0,0]=4 5657 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,1,0,1,0,0|2,0,0]=4 5658 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,1,0,1,0,0|2,0,0]=4 5659 B10R1.29 CSCN[C@@H]1CONC1=O 2230a_100000765999_100011218213 [0,1,0,1,0,0|2,0,0]=4 5660 B10R1.29 CSCN[C@@H]1CONC1=O 34a_100000765999_100011218213 [0,1,0,1,0,0|2,0,0]=4 5661 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,1,0,0|2,0,0]=4 5662 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,1,0,0|2,0,0]=4 5663 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,1,0,1,0,0|2,0,0]=4 5664 B10R1.29 O=C1NOC[C@H]1NCCF 2230a_100000765999_100011217306 [0,1,0,1,0,0|2,0,0]=4 5665 B10R1.29 O=C1NOC[C@H]1NCCF 34a_100000765999_100011217306 [0,1,0,1,0,0|2,0,0]=4 5666 B10R1.29 O=C1NOC[C@H]1NCCO 2230a_100000765999_100000211926 [0,1,0,1,0,0|2,0,0]=4 5667 B10R1.29 O=C1NOC[C@H]1NCCO 34a_100000765999_100000211926 [0,1,0,1,0,0|2,0,0]=4 5668 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,1,0,1,0,0|2,0,0]=4 5669 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,1,0,1,0,0|2,0,0]=4 5670 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,1,0,1,0,0|2,0,0]=4 5671 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 5672 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,1,0,1,0,0|2,0,0]=4 5673 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,1,0,1,0,0|2,0,0]=4 5674 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,1,0,1,0,0|2,0,0]=4 5675 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 5676 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,1,0,1,0,0|1,0,1]=4 5677 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,1,0,1,0,0|1,0,1]=4 5678 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,1,0,1,0,0|1,0,1]=4 5679 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,1,0,1,0,0|1,0,1]=4 5680 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|1,0,0]=3 5681 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [0,1,0,1,0,0|2,0,0]=4 5682 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [0,1,0,1,0,0|2,0,0]=4 5683 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [0,1,0,1,0,0|2,0,0]=4 5684 B10R1.99 COCN1CC1C(=O)OC 2230a_200009830135_100000766300 [0,1,0,1,0,0|2,0,0]=4 5685 B10R1.169 C=CC(=O)N1CC(C1)CC 1626a_100015205115_100000185746 [0,1,0,1,0,0|2,0,0]=4 5686 B10R1.169 C=CC(=O)N1CC(C1)CC 240690a_100015205115_200121576911 [0,1,0,1,0,0|2,0,0]=4 5687 B10R1.169 CCC(=O)C1CC(C1)CO 1458a_206645079618_100000210202 [0,1,0,1,0,0|2,0,0]=4 5688 B10R1.169 CCC(=O)C1CC(C1)OC 1458a_100011999411_100000210202 [0,1,0,1,0,0|2,0,0]=4 5689 B10R1.169 CCC(=O)N1CC(C1)CC 11a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 5690 B10R1.169 CCC(=O)N1CC(C1)CC 1626a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 5691 B10R1.169 CCC(=O)N1CC(C1)CC 240690a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 5692 B10R1.169 CCC(=O)N1CC(C1)CC 527a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 5693 B10R1.169 CCC1CN(C1)C(=O)CO 240690a_100015205115_100000210174 [0,1,0,1,0,0|1,0,0]=3 5694 B10R1.169 CCC1CN(C1)C(=O)CO 527a_100015205115_100000210174 [0,1,0,1,0,0|1,0,0]=3 5695 B10R1.169 CCC1CN(C1)C(=O)NC 2708a_100102657272_100015205115 [0,1,0,1,0,0|2,0,0]=4 5696 B10R1.169 CCC1CN(C1)C(=O)NC 273464a_100102657272_100015205115 [0,1,0,1,0,0|2,0,0]=4 5697 B10R1.169 CCN1CC(C1)C(=O)NC 34a_100000703363_100000210202 [0,1,0,1,0,0|2,0,0]=4 5698 B10R1.169 CCN1CC(C1)C(=O)OC 269982a_100015188540_100000204670 [0,1,0,1,0,0|1,0,0]=3 5699 B10R1.169 CNC(=O)C1CC(C1)CO 1626a_100102657272_206645079618 [0,1,0,1,0,0|2,0,0]=4 5700 B10R1.169 CNC(=O)C1CC(C1)OC 11a_106832991635_100011999411 [0,1,0,1,0,0|2,0,0]=4 5701 B10R1.169 CNC(=O)C1CC(C1)OC 1626a_100102657272_100011999411 [0,1,0,1,0,0|2,0,0]=4 5702 B10R1.169 CNC(=O)C1CC(C1)OC 240690a_100102657272_100011999411 [0,1,0,1,0,0|2,0,0]=4 5703 B10R1.169 CNC(=O)C1CC(C1)OC 527a_100102657272_100011999411 [0,1,0,1,0,0|2,0,0]=4 5704 B10R1.169 CNC1CC(C1)C(=O)OC 34a_100102657272_100009897219 [0,1,0,1,0,0|1,0,0]=3 5705 B10R1.169 CNC1CC(C1)C(=O)OC 7a_106832991635_100009897219 [0,1,0,1,0,0|1,0,0]=3 5706 B10R1.169 COC(=O)C1CC(C1)OC 34a_100138415774_100009897219 [0,1,0,1,0,0|1,0,0]=3 5707 B10R1.169 COC(=O)C1CC(C1)OC 7a_100000076263_200000210301 [0,1,0,1,0,0|1,0,0]=3 5708 B10R1.169 COC(=O)C1CC(C1)O[13CH3] 7a_100000076263_200025704644 [0,1,0,1,0,0|1,0,0]=3 5709 B10R1.169 COC(=O)C1CC(C1)SC 62a_100009897219_200000210301 [0,1,0,1,0,0|1,0,0]=3 5710 B10R1.169 COC(=O)C1CC(C1)SC 62a_200000210301_100009897219 [0,1,0,1,0,0|1,0,0]=3 5711 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_100009897219_200025704644 [0,1,0,1,0,0|1,0,0]=3 5712 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_200025704644_100009897219 [0,1,0,1,0,0|1,0,0]=3 5713 B10R1.169 COC(=O)C1CN(C1)CF 269982a_100015188540_100015361967 [0,1,0,1,0,0|2,0,0]=4 5714 B10R1.169 COC1CC(C1)C(=O)CF 1458a_100011999411_100015361967 [0,1,0,1,0,0|2,0,0]=4 5715 B10R1.169 COC1CN(C1)C(=O)CO 240690a_100000755009_100000210174 [0,1,0,1,0,0|2,0,0]=4 5716 B10R1.169 COC1CN(C1)C(=O)CO 527a_100000755009_100000210174 [0,1,0,1,0,0|2,0,0]=4 5717 B10R1.169 CSC1CN(C1)C(=O)CO 240690a_100016990038_100000210174 [0,1,0,1,0,0|2,0,0]=4 5718 B10R1.169 CSC1CN(C1)C(=O)CO 527a_100016990038_100000210174 [0,1,0,1,0,0|2,0,0]=4 5719 B10R1.169 O=C(CF)C1CC(C1)CO 1458a_206645079618_100015361967 [0,1,0,1,0,0|2,0,0]=4 5720 B10R1.169 O=C(CO)N1CC(C1)CF 240690a_100010363649_100000210174 [0,1,0,1,0,0|2,0,0]=4 5721 B10R1.169 O=C(CO)N1CC(C1)CF 527a_100010363649_100000210174 [0,1,0,1,0,0|2,0,0]=4 5722 B10R1.169 O=C(CO)N1CC(C1)CO 240690a_100016987283_100000210174 [0,1,0,1,0,0|2,0,0]=4 5723 B10R1.169 O=C(CO)N1CC(C1)CO 527a_100016987283_100000210174 [0,1,0,1,0,0|2,0,0]=4 5724 B10R1.176 CCN1CCC(C(C1)O)C 2230a_100000696640_100000210202 [0,1,0,1,0,0|1,0,1]=4 5725 B10R1.176 CCN1CCC(C(C1)O)C 269982a_100000696640_100000204670 [0,1,0,1,0,0|1,0,1]=4 5726 B10R1.176 CCN1CCN(C(=O)C1)C 2230a_100000187256_100000210202 [0,1,0,1,0,0|2,0,0]=4 5727 B10R1.176 CCN1CCN(C(=O)C1)C 269982a_100000187256_100000204670 [0,1,0,1,0,0|2,0,0]=4 5728 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 5729 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 5730 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 5731 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 5732 B10R1.182 C=CC(=O)N(C)C1CCC1 1626a_100000758072_100000185746 [0,1,0,1,0,0|2,0,0]=4 5733 B10R1.182 C=CC(=O)N(C)C1CCC1 240690a_100000758072_200121576911 [0,1,0,1,0,0|2,0,0]=4 5734 B10R1.182 CCC(=O)C(C)N1CCC1 269982a_100000754969_100000742827 [0,1,0,1,0,0|2,0,0]=4 5735 B10R1.182 CCC(=O)N(C)C1CCC1 11a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 5736 B10R1.182 CCC(=O)N(C)C1CCC1 1626a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 5737 B10R1.182 CCC(=O)N(C)C1CCC1 240690a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 5738 B10R1.182 CCC(=O)N(C)C1CCC1 527a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 5739 B10R1.182 CN(C(=O)CO)C1CCC1 240690a_100000758072_100000210174 [0,1,0,1,0,0|1,0,0]=3 5740 B10R1.182 CN(C(=O)CO)C1CCC1 527a_100000758072_100000210174 [0,1,0,1,0,0|1,0,0]=3 5741 B10R1.182 CN(C(=O)CO)C1COC1 240690a_100102693430_100000210174 [0,1,0,1,0,0|2,0,0]=4 5742 B10R1.182 CN(C(=O)CO)C1COC1 527a_100102693430_100000210174 [0,1,0,1,0,0|2,0,0]=4 5743 B10R1.182 CNC(=O)C(C)N1CCC1 269982a_100000754969_100000209862 [0,1,0,1,0,0|2,0,0]=4 5744 B10R1.182 CNC(=O)N(C)C1CCC1 2708a_100102657272_100000758072 [0,1,0,1,0,0|2,0,0]=4 5745 B10R1.182 CNC(=O)N(C)C1CCC1 273464a_100102657272_100000758072 [0,1,0,1,0,0|2,0,0]=4 5746 B10R1.182 COC(=O)C(C)N1CCC1 269982a_100000754969_100000211248 [0,1,0,1,0,0|1,0,0]=3 5747 B10R1.184 C=CC(=O)N(C)CC1CC1 1626a_100000741881_100000185746 [0,1,0,1,0,0|2,0,0]=4 5748 B10R1.184 C=CC(=O)N(C)CC1CC1 240690a_100000741881_200121576911 [0,1,0,1,0,0|2,0,0]=4 5749 B10R1.184 CC(OC1CC1)C(=O)NN 34a_100000725659_100000211595 [0,1,0,1,0,0|2,0,0]=4 5750 B10R1.184 CCC(=O)C(C)SC1CC1 62a_100000742827_100000211595 [0,1,0,1,0,0|2,0,0]=4 5751 B10R1.184 CCC(=O)N(C)CC1CC1 11a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 5752 B10R1.184 CCC(=O)N(C)CC1CC1 1626a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 5753 B10R1.184 CCC(=O)N(C)CC1CC1 240690a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 5754 B10R1.184 CCC(=O)N(C)CC1CC1 527a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 5755 B10R1.184 CN(CC1CC1)C(=O)CO 240690a_100000741881_100000210174 [0,1,0,1,0,0|1,0,0]=3 5756 B10R1.184 CN(CC1CC1)C(=O)CO 527a_100000741881_100000210174 [0,1,0,1,0,0|1,0,0]=3 5757 B10R1.184 CNC(=O)C(C)NC1CC1 34a_100000212008_100000731044 [0,1,0,1,0,0|2,0,0]=4 5758 B10R1.184 CNC(=O)C(C)SC1CC1 62a_100000209862_100000211595 [0,1,0,1,0,0|2,0,0]=4 5759 B10R1.184 CNC(=O)N(C)CC1CC1 2708a_100102657272_100000741881 [0,1,0,1,0,0|2,0,0]=4 5760 B10R1.184 CNC(=O)N(C)CC1CC1 273464a_100102657272_100000741881 [0,1,0,1,0,0|2,0,0]=4 5761 B10R1.184 CNC(=O)[C@@H](C)NC1CC1 34a_100000684985_100000211595 [0,1,0,1,0,0|2,0,0]=4 5762 B10R1.184 COC(=O)C(C)NC1CC1 34a_100000212008_100000211248 [0,1,0,1,0,0|1,0,0]=3 5763 B10R1.184 COC(=O)C(C)OC1CC1 34a_100011215400_100000211595 [0,1,0,1,0,0|1,0,0]=3 5764 B10R1.184 COC(=O)C(C)SC1CC1 62a_100000211248_100000211595 [0,1,0,1,0,0|1,0,0]=3 5765 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,1,0,1,0,0|1,0,1]=4 5766 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,1,0,1,0,0|1,0,1]=4 5767 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,1,0,1,0,0|1,0,0]=3 5768 B10R1.411 CC1(CCCO1)C(=O)CF 1458a_100000684770_100015361967 [0,1,0,1,0,0|2,0,0]=4 5769 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,1,0,0|1,0,0]=3 5770 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,1,0,0|2,0,0]=4 5771 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,1,0,1,0,0|2,0,0]=4 5772 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,1,0,0|1,0,0]=3 5773 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,1,0,0|1,0,0]=3 5774 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,1,0,0|1,0,0]=3 5775 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,1,0,0|1,0,0]=3 5776 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,1,0,0|2,0,0]=4 5777 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,1,0,0|2,0,0]=4 5778 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [0,1,0,1,0,0|2,0,0]=4 5779 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 5780 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 5781 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 5782 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,1,0,1,0,0|2,0,0]=4 5783 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,1,0,1,0,0|2,0,0]=4 5784 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,1,0,1,0,0|2,0,0]=4 5785 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,1,0,1,0,0|2,0,0]=4 5786 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,1,0,1,0,0|2,0,0]=4 5787 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,1,0,1,0,0|1,0,0]=3 5788 B10R1.31 CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210202 [0,1,0,1,0,0|1,0,0]=3 5789 B10R1.31 CCN1CCC(C1)C(=O)N 269982a_100000752358_100000204670 [0,1,0,1,0,0|1,0,0]=3 5790 B10R1.31 CCN1CCC(C1)C(=O)N 34a_100000752358_100000210202 [0,1,0,1,0,0|1,0,0]=3 5791 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,1,0,1,0,0|1,0,0]=3 5792 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,1,0,1,0,0|2,0,0]=4 5793 B10R1.31 CN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200000210301 [0,1,0,1,0,0|0,0,2]=4 5794 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|0,0,0]=2 5795 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 5796 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 5797 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 5798 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,1,0,1,0,0|2,0,0]=4 5799 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,1,0,1,0,0|2,0,0]=4 5800 B10R1.31 NC(=O)C1CCN(C1)CF 269982a_100000752358_100015361967 [0,1,0,1,0,0|2,0,0]=4 5801 B10R1.31 NC(=O)C1CCN(C1)CF 34a_100000752358_100015361967 [0,1,0,1,0,0|2,0,0]=4 5802 B10R1.31 [13CH3]N[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200025704644 [0,1,0,1,0,0|0,0,2]=4 5803 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|0,0,0]=2 5804 B10R1.219 CCC(C(=O)N)N1CCC1 269982a_100000754969_100000750255 [0,1,0,1,0,0|2,0,0]=4 5805 B10R1.219 CCN(C(=O)C)C1CCC1 11a_100000758130_100015343762 [0,1,0,1,0,0|2,0,0]=4 5806 B10R1.219 CCN(C(=O)C)C1CCC1 1626a_100000758130_100015343762 [0,1,0,1,0,0|2,0,0]=4 5807 B10R1.219 CCN(C(=O)C)C1CCC1 240690a_100000758130_100015343762 [0,1,0,1,0,0|2,0,0]=4 5808 B10R1.219 CCN(C(=O)C)C1CCC1 527a_100000758130_100103153847 [0,1,0,1,0,0|2,0,0]=4 5809 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [0,1,0,1,0,0|0,0,0]=2 5810 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [0,1,0,1,0,0|0,0,0]=2 5811 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,1,0,1,0,0|1,0,1]=4 5812 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|1,0,0]=3 5813 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|1,0,0]=3 5814 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 5815 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 5816 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 5817 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|2,0,0]=4 5818 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 5819 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 5820 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 5821 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,1,0,1,0,0|2,0,0]=4 5822 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,1,0,1,0,0|1,0,1]=4 5823 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|1,0,0]=3 5824 B10R1.437 CCCNC1(CC1)C(=O)N 2230a_100000687655_100000210303 [0,1,0,1,0,0|2,0,0]=4 5825 B10R1.437 CCCNC1(CC1)C(=O)O 269956a_100000746478_100000210207 [0,1,0,1,0,0|1,0,0]=3 5826 B10R1.437 CCCOC1(CC1)C(=O)N 34a_100000210258_100010760883 [0,1,0,1,0,0|2,0,0]=4 5827 B10R1.437 CCCSC1(CC1)C(=O)C 62a_100000086384_100000210303 [0,1,0,1,0,0|2,0,0]=4 5828 B10R1.437 CCCSC1(CC1)C(=O)C 62a_100000210303_100000086384 [0,1,0,1,0,0|2,0,0]=4 5829 B10R1.437 CCCSC1(CC1)C(=O)N 62a_100000210303_100010760883 [0,1,0,1,0,0|2,0,0]=4 5830 B10R1.437 CCCSC1(CC1)C(=O)N 62a_100010760883_100000210303 [0,1,0,1,0,0|2,0,0]=4 5831 B10R1.437 CCNCC1(CC1)C(=O)O 269956a_100000703410_100000210202 [0,1,0,1,0,0|1,0,0]=3 5832 B10R1.437 CCOCC1(CC1)C(=O)N 34a_100000117830_100000210202 [0,1,0,1,0,0|2,0,0]=4 5833 B10R1.437 CCOCC1(CC1)C(=O)N 7a_100000117830_100000210202 [0,1,0,1,0,0|2,0,0]=4 5834 B10R1.437 CNCCC1(CC1)C(=O)O 269956a_100000690630_200000210301 [0,1,0,1,0,0|1,0,0]=3 5835 B10R1.437 COCNC1(CC1)C(=O)O 269956a_100000746478_100000766300 [0,1,0,1,0,0|2,0,0]=4 5836 B10R1.437 CSCNC1(CC1)C(=O)O 269956a_100000746478_100011218213 [0,1,0,1,0,0|2,0,0]=4 5837 B10R1.437 O=C(O)C1(CC1)CNCF 269956a_100000703410_100015361967 [0,1,0,1,0,0|2,0,0]=4 5838 B10R1.437 O=C(O)C1(CC1)NCCF 269956a_100000746478_100011217306 [0,1,0,1,0,0|2,0,0]=4 5839 B10R1.437 O=C(O)C1(CC1)NCCO 269956a_100000746478_100000211926 [0,1,0,1,0,0|2,0,0]=4 5840 B10R1.437 [13CH3]NCCC1(CC1)C(=O)O 269956a_100000690630_200025704644 [0,1,0,1,0,0|1,0,0]=3 5841 B10R1.469 C=C[C@H](NC1CC1)C(=O)O 269956a_100016992060_100000211595 [0,1,0,1,0,0|1,0,1]=4 5842 B10R1.469 CCC(NC1CC1)C(=O)N 34a_100000212008_100000750255 [0,1,0,1,0,0|2,0,0]=4 5843 B10R1.469 CCC(NC1CC1)C(=O)N 34a_100000733705_100000211595 [0,1,0,1,0,0|2,0,0]=4 5844 B10R1.469 CCC(SC1CC1)C(=O)N 62a_100000750255_100000211595 [0,1,0,1,0,0|2,0,0]=4 5845 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,1,0,1,0,0|1,0,0]=3 5846 B10R1.469 NC(=O)[C@H](CO)NC1CC1 34a_100000729942_100000211595 [0,1,0,1,0,0|2,0,0]=4 5847 B10R1.469 O=C(O)C(CO)NC1CC1 269956a_100000187304_100000211595 [0,1,0,1,0,0|1,0,0]=3 5848 B10R1.477 CC(=O)C1(CCCC1)C#N 1458a_100000209868_200000210301 [0,1,0,1,0,0|1,0,1]=4 5849 B10R1.477 CNC1(CCCC1)C(=O)N 2230a_100000755618_200000210301 [0,1,0,1,0,0|1,0,0]=3 5850 B10R1.477 CNC1(CCCC1)C(=O)N 34a_100000755618_200000210301 [0,1,0,1,0,0|1,0,0]=3 5851 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,1,0,1,0,0|0,0,0]=2 5852 B10R1.477 [13CH3]C(=O)C1(CCCC1)C#N 1458a_100000209868_200025704644 [0,1,0,1,0,0|1,0,1]=4 5853 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 2230a_100000755618_200025704644 [0,1,0,1,0,0|1,0,0]=3 5854 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 34a_100000755618_200025704644 [0,1,0,1,0,0|1,0,0]=3 5855 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,1,0,1,0,0|0,0,0]=2 5856 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|1,0,0]=3 5857 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|1,0,0]=3 5858 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,1,0,0|1,0,0]=3 5859 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,1,0,1,0,0|2,0,0]=4 5860 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 5861 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 5862 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 5863 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,1,0,1,0,0|2,0,0]=4 5864 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,1,0,1,0,0|2,0,0]=4 5865 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,1,0,1,0,0|2,0,0]=4 5866 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,1,0,1,0,0|2,0,0]=4 5867 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,1,0,1,0,0|2,0,0]=4 5868 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,1,0,1,0,0|2,0,0]=4 5869 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,1,0,1,0,0|2,0,0]=4 5870 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,1,0,1,0,0|2,0,0]=4 5871 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,1,0,1,0,0|2,0,0]=4 5872 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,1,0,1,0,0|2,0,0]=4 5873 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,1,0,1,0,0|1,0,1]=4 5874 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,1,0,1,0,0|1,0,1]=4 5875 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,1,0,1,0,0|1,0,1]=4 5876 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,1,0,1,0,0|1,0,1]=4 5877 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,1,0,1,0,0|1,0,1]=4 5878 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,1,0,1,0,0|1,0,1]=4 5879 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|1,0,0]=3 5880 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,1,0,0|1,0,0]=3 5881 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,1,0,0|1,0,0]=3 5882 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,1,0,0|1,0,0]=3 5883 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,1,0,0|1,0,0]=3 5884 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,1,0,1,0,0|2,0,0]=4 5885 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,1,0,1,0,0|2,0,0]=4 5886 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,1,0,1,0,0|2,0,0]=4 5887 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|1,0,0]=3 5888 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,1,0,0|1,0,0]=3 5889 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,1,0,0|1,0,0]=3 5890 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,1,0,0|1,0,0]=3 5891 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,1,0,1,0,0|2,0,0]=4 5892 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,1,0,1,0,0|2,0,0]=4 5893 B10R1.116 CC(=O)C(C)N1CCC1C 269982a_100000755817_100009814033 [0,1,0,1,0,0|1,0,0]=3 5894 B10R1.116 CC1CCN1C(C)C(=O)N 269982a_100000755817_100000184083 [0,1,0,1,0,0|1,0,0]=3 5895 B10R1.116 CC1CCN1C(C)C(=O)N 34a_100000755817_100000702099 [0,1,0,1,0,0|1,0,0]=3 5896 B10R1.116 CC1CCN1C(F)C(=O)N 269982a_100000755817_100009813875 [0,1,0,1,0,0|2,0,0]=4 5897 B10R1.116 CC1CCN1C(F)C(=O)N 34a_100000755817_100009813875 [0,1,0,1,0,0|2,0,0]=4 5898 B10R1.116 CC1CCN1C(F)C(=O)[O-] 34a_100000755817_100020610796 [0,1,0,1,0,0|1,0,1]=4 5899 B10R1.203 CC(=O)C(C)NC1(CC1)C 2230a_100000757604_100009814033 [0,1,0,1,0,0|2,0,0]=4 5900 B10R1.203 CC(=O)C(C)OC1(CC1)C 7a_100011725673_100000179758 [0,1,0,1,0,0|2,0,0]=4 5901 B10R1.203 CC(NC1(CC1)C)C(=O)N 2230a_100000757604_100000702099 [0,1,0,1,0,0|2,0,0]=4 5902 B10R1.203 CC(OC1(CC1)C)C(=O)N 7a_100011725673_100000702099 [0,1,0,1,0,0|2,0,0]=4 5903 B10R1.204 C=C(C)C(C)NC1CCC1 269862a_100000749019_100011216138 [0,1,0,1,0,0|2,0,0]=4 5904 B10R1.204 CC(=O)C(C)NC1CCC1 2230a_100000749019_100009814033 [0,1,0,1,0,0|1,0,0]=3 5905 B10R1.204 CC(=O)C(C)NC1COC1 2230a_100016991112_100009814033 [0,1,0,1,0,0|2,0,0]=4 5906 B10R1.204 CC(=O)C(C)OC1CCC1 34a_100000212229_100000749161 [0,1,0,1,0,0|1,0,0]=3 5907 B10R1.204 CC(=O)C(C)OC1COC1 34a_100000212229_100009818527 [0,1,0,1,0,0|2,0,0]=4 5908 B10R1.204 CC(=O)C(C)OC1CSC1 7a_100000072292_100000179758 [0,1,0,1,0,0|2,0,0]=4 5909 B10R1.204 CC(=O)C(C)SC1CCC1 62a_100009814033_100000749161 [0,1,0,1,0,0|1,0,0]=3 5910 B10R1.204 CC(=O)C(C)SC1COC1 62a_100009814033_100009818527 [0,1,0,1,0,0|2,0,0]=4 5911 B10R1.204 CC(=O)N(C)CC1CCC1 11a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 5912 B10R1.204 CC(=O)N(C)CC1CCC1 1626a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 5913 B10R1.204 CC(=O)N(C)CC1CCC1 240690a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 5914 B10R1.204 CC(=O)N(C)CC1CCC1 527a_200000750244_100103153847 [0,1,0,1,0,0|2,0,0]=4 5915 B10R1.204 CC(NC1CCC1)C(=O)N 2230a_100000749019_100000702099 [0,1,0,1,0,0|1,0,0]=3 5916 B10R1.204 CC(NC1CCC1)C(=O)N 34a_100000749019_100000702099 [0,1,0,1,0,0|1,0,0]=3 5917 B10R1.204 CC(NC1COC1)C(=O)N 2230a_100016991112_100000702099 [0,1,0,1,0,0|2,0,0]=4 5918 B10R1.204 CC(OC1CCC1)C(=O)N 34a_100000748187_100000702099 [0,1,0,1,0,0|1,0,0]=3 5919 B10R1.204 CC(OC1CSC1)C(=O)N 7a_100000072292_100000702099 [0,1,0,1,0,0|2,0,0]=4 5920 B10R1.204 CC(SC1CCC1)C(=O)N 62a_100000702099_100000749161 [0,1,0,1,0,0|1,0,0]=3 5921 B10R1.204 CC(SC1COC1)C(=O)N 62a_100000702099_100009818527 [0,1,0,1,0,0|2,0,0]=4 5922 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 270004a_100000119354_100000241760 [0,1,0,1,0,0|1,0,0]=3 5923 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 34a_100000119354_100000749161 [0,1,0,1,0,0|1,0,0]=3 5924 B10R1.204 C[C@@H](NC1COC1)C(=O)N 34a_100000119354_100009818527 [0,1,0,1,0,0|2,0,0]=4 5925 B10R1.204 C[C@@H](OC1CCC1)C(=O)N 34a_100000731257_100000749161 [0,1,0,1,0,0|1,0,0]=3 5926 B10R1.204 C[C@@H](OC1COC1)C(=O)N 34a_100000731257_100009818527 [0,1,0,1,0,0|2,0,0]=4 5927 B10R1.204 C[C@@H](OC1COC1)C(=O)N 7a_100000731257_100009818527 [0,1,0,1,0,0|2,0,0]=4 5928 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|0,0,0]=2 5929 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,1,0,1,0,0|1,0,0]=3 5930 B10R1.204 C[C@H](OC1COC1)C(=O)[O-] 7a_217856618621_100009818527 [0,1,0,1,0,0|1,0,1]=4 5931 B10R1.204 NC(=O)C(F)NC1CCC1 2230a_100000749019_100009813875 [0,1,0,1,0,0|2,0,0]=4 5932 B10R1.204 NC(=O)C(F)NC1CCC1 34a_100000749019_100009813875 [0,1,0,1,0,0|2,0,0]=4 5933 B10R1.204 NC(=O)C(F)OC1CCC1 34a_100000748187_100009813875 [0,1,0,1,0,0|2,0,0]=4 5934 B10R1.204 NC(=O)C(F)SC1CCC1 62a_100009813875_100000749161 [0,1,0,1,0,0|2,0,0]=4 5935 B10R1.204 O=C([O-])C(F)NC1CCC1 34a_100000749019_100020610796 [0,1,0,1,0,0|1,0,1]=4 5936 B10R1.204 O=C([O-])C(F)OC1CCC1 34a_100000748187_100020610796 [0,1,0,1,0,0|1,0,1]=4 5937 B10R1.204 O=C([O-])C(F)SC1CCC1 62a_100020610796_100000749161 [0,1,0,1,0,0|1,0,1]=4 5938 B10R1.235 CCC1(CN(C1)C(=O)C)O 11a_100015191684_100015343762 [0,1,0,1,0,0|2,0,0]=4 5939 B10R1.235 CCC1(CN(C1)C(=O)C)O 1626a_100015191684_100015343762 [0,1,0,1,0,0|2,0,0]=4 5940 B10R1.235 CCC1(CN(C1)C(=O)C)O 240690a_100015191684_100015343762 [0,1,0,1,0,0|2,0,0]=4 5941 B10R1.235 CCC1(CN(C1)C(=O)C)O 527a_100015191684_100103153847 [0,1,0,1,0,0|2,0,0]=4 5942 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 5943 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 5944 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 5945 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 5946 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 5947 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 5948 B10R1.463 CCC(C)OC1CCC1=O 7a_100000210228_100009892977 [0,1,0,1,0,0|2,0,0]=4 5949 B10R1.463 CCC(C)SC1CCC1=O 62a_100000758301_100009892977 [0,1,0,1,0,0|2,0,0]=4 5950 B10R1.463 CCC(C)SC1CCC1=O 62a_100009892977_100000758301 [0,1,0,1,0,0|2,0,0]=4 5951 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|1,0,0]=3 5952 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|1,0,0]=3 5953 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|1,0,0]=3 5954 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|1,0,0]=3 5955 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|1,0,0]=3 5956 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|1,0,0]=3 5957 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,1,0,1,0,0|2,0,0]=4 5958 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,1,0,1,0,0|2,0,0]=4 5959 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|1,0,0]=3 5960 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|1,0,0]=3 5961 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,1,0,0|2,0,0]=4 5962 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,1,0,1,0,0|2,0,0]=4 5963 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,1,0,1,0,0|2,0,0]=4 5964 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 5965 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 5966 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,1,0,0|2,0,0]=4 5967 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,1,0,0|2,0,0]=4 5968 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,1,0,1,0,0|2,0,0]=4 5969 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,1,0,1,0,0|2,0,0]=4 5970 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,1,0,1,0,0|2,0,0]=4 5971 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,1,0,1,0,0|2,0,0]=4 5972 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,1,0,1,0,0|2,0,0]=4 5973 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,1,0,1,0,0|2,0,0]=4 5974 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,1,0,1,0,0|2,0,0]=4 5975 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,1,0,1,0,0|2,0,0]=4 5976 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,1,0,1,0,0|2,0,0]=4 5977 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,1,0,0|2,0,0]=4 5978 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,1,0,0|2,0,0]=4 5979 B10R1.93 CCCN1CC(C1)C(=O)N 34a_100025753142_100000210303 [0,1,0,1,0,0|1,0,0]=3 5980 B10R1.93 CCNC1CN(C1)C(=O)C 2230a_100102955437_100000210202 [0,1,0,1,0,0|2,0,0]=4 5981 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,1,0,1,0,0|0,0,0]=2 5982 B10R1.93 CCOC1CN(C1)C(=O)C 11a_100000732654_100015343762 [0,1,0,1,0,0|2,0,0]=4 5983 B10R1.93 CCOC1CN(C1)C(=O)C 1626a_100000732654_100015343762 [0,1,0,1,0,0|2,0,0]=4 5984 B10R1.93 CCOC1CN(C1)C(=O)C 240690a_100000732654_100015343762 [0,1,0,1,0,0|2,0,0]=4 5985 B10R1.93 CCOC1CN(C1)C(=O)C 527a_100000732654_100103153847 [0,1,0,1,0,0|2,0,0]=4 5986 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,1,0,1,0,0|1,0,0]=3 5987 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,1,0,1,0,0|1,0,0]=3 5988 B10R1.93 COCC1CN(C1)C(=O)C 11a_100016993750_100015343762 [0,1,0,1,0,0|2,0,0]=4 5989 B10R1.93 COCC1CN(C1)C(=O)C 240690a_100016993750_100015343762 [0,1,0,1,0,0|2,0,0]=4 5990 B10R1.93 COCC1CN(C1)C(=O)C 527a_100016993750_100103153847 [0,1,0,1,0,0|2,0,0]=4 5991 B10R1.93 CSCN1CC(C1)C(=O)N 34a_100025753142_100011218213 [0,1,0,1,0,0|2,0,0]=4 5992 B10R1.93 NC(=O)C1CN(C1)CCF 34a_100025753142_100011217306 [0,1,0,1,0,0|2,0,0]=4 5993 B10R1.93 NC(=O)C1CN(C1)CCO 34a_100025753142_100000211926 [0,1,0,1,0,0|2,0,0]=4 5994 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,1,0,1,0,0|1,0,0]=3 5995 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210303 [0,1,0,1,0,0|1,0,1]=4 5996 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210303 [0,1,0,1,0,0|1,0,1]=4 5997 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [0,1,0,1,0,0|0,0,2]=4 5998 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 5999 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 6000 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,1,0,1,0,0|0,0,2]=4 6001 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,1,0,1,0,0|0,0,2]=4 6002 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,1,0,1,0,0|2,0,0]=4 6003 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,1,0,1,0,0|2,0,0]=4 6004 B10R1.186 CCCCNC(C)C1CO1 270004a_100000102301_100000031964 [0,1,0,1,0,0|1,0,1]=4 6005 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|1,0,0]=3 6006 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|1,0,0]=3 6007 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|1,0,0]=3 6008 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,1,0,1,0,0|1,0,0]=3 6009 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,1,0,1,0,0|2,0,0]=4 6010 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,1,0,0|2,0,0]=4 6011 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|1,0,0]=3 6012 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,1,0,1,0,0|1,0,0]=3 6013 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|1,0,0]=3 6014 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|1,0,0]=3 6015 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,1,0,1,0,0|2,0,0]=4 6016 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,1,0,0|2,0,0]=4 6017 B10R1.354 CC(=O)C(C)(C)N1CCC1 269982a_100000754969_100000075568 [0,1,0,1,0,0|2,0,0]=4 6018 B10R1.354 CC(C)(C(=O)N)N1CCC1 269982a_100000754969_100000702505 [0,1,0,1,0,0|2,0,0]=4 6019 B10R1.356 CC(=O)C(C)(C)OC1CC1 34a_100000747739_100000211595 [0,1,0,1,0,0|2,0,0]=4 6020 B10R1.356 CC(=O)C(C)(C)SC1CC1 62a_100000075568_100000211595 [0,1,0,1,0,0|2,0,0]=4 6021 B10R1.356 CC(C)(NC1CC1)C(=O)N 34a_100000212008_100000702505 [0,1,0,1,0,0|2,0,0]=4 6022 B10R1.356 CC(C)(NC1CC1)C(=O)N 34a_100000743658_100000211595 [0,1,0,1,0,0|2,0,0]=4 6023 B10R1.356 CC(C)(OC1CC1)C(=O)N 34a_100011626353_100000211595 [0,1,0,1,0,0|2,0,0]=4 6024 B10R1.356 CC(C)(SC1CC1)C(=O)N 62a_100000702505_100000211595 [0,1,0,1,0,0|2,0,0]=4 6025 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [0,0,0,2,0,0|2,0,0]=4 6026 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [0,0,0,2,0,0|2,0,0]=4 6027 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 6028 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 6029 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 6030 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,2,0,0|2,0,0]=4 6031 B10R2.27 O=C1CCC1NC2CC2 34a_100000212008_100009892977 [0,0,0,2,0,0|2,0,0]=4 6032 B10R2.27 O=C1CCC1SC2CC2 62a_100009892977_100000211595 [0,0,0,2,0,0|2,0,0]=4 6033 B10R2.324 O=C1CCC1N2CCC2 269982a_100000754969_100009892977 [0,0,0,2,0,0|2,0,0]=4 6034 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|1,0,0]=3 6035 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|1,0,0]=3 6036 B10R2.646 CC(=O)N1CC2(C1)CC2 11a_100015196877_100015343762 [0,0,0,2,0,0|2,0,0]=4 6037 B10R2.646 CC(=O)N1CC2(C1)CC2 1626a_100015196877_100015343762 [0,0,0,2,0,0|2,0,0]=4 6038 B10R2.646 CC(=O)N1CC2(C1)CC2 240690a_100015196877_100015343762 [0,0,0,2,0,0|2,0,0]=4 6039 B10R2.646 CC(=O)N1CC2(C1)CC2 527a_100015196877_100103153847 [0,0,0,2,0,0|2,0,0]=4 6040 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [0,0,0,0,0,2|2,0,0]=4 6041 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,0,0,0,0,2|2,0,0]=4 6042 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,0,0,0,0,2|2,0,0]=4 6043 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,0,0,0,0,2|2,0,0]=4 6044 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [0,0,0,0,0,2|2,0,0]=4 6045 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [0,0,0,0,0,2|2,0,0]=4 6046 B10R0.78 C=C(F)CNC(C)CCCC 2230a_100000126638_100009893438 [0,0,0,0,0,2|2,0,0]=4 6047 B10R0.78 C=C(F)COC(C)CCCC 34a_100000687866_100009893438 [0,0,0,0,0,2|2,0,0]=4 6048 B10R0.78 C=C(F)COC(C)CCCC 34a_200010262243_200011215066 [0,0,0,0,0,2|2,0,0]=4 6049 B10R0.78 C=C(F)COC(C)CCCC 7a_100000687866_100000042424 [0,0,0,0,0,2|2,0,0]=4 6050 B10R0.78 C=C(F)CSC(C)CCCC 62a_100000042424_200011215066 [0,0,0,0,0,2|2,0,0]=4 6051 B10R0.78 C=C(F)CSC(C)CCCC 62a_200011215066_100000042424 [0,0,0,0,0,2|2,0,0]=4 6052 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,0,0,0,0,2|2,0,0]=4 6053 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,0,0,0,0,2|2,0,0]=4 6054 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [0,0,0,0,0,2|2,0,0]=4 6055 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [0,0,0,0,0,2|2,0,0]=4 6056 B10R0.78 CC(CCCCl)OCC(=O)[O-] 34a_200000718107_100020667443 [0,0,0,0,0,2|1,0,1]=4 6057 B10R0.78 CCCCC(=NNC(=O)C)C 4a_100000189765_100000210087 [0,0,0,0,0,2|1,0,1]=4 6058 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,0,0,0,0,2|1,0,0]=3 6059 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,0,0,0,0,2|1,0,0]=3 6060 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,0,0,0,0,2|1,0,0]=3 6061 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,0,0,0,0,2|1,0,0]=3 6062 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,0,0,0,0,2|0,0,0]=2 6063 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [0,0,0,0,0,2|1,0,1]=4 6064 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [0,0,0,0,0,2|1,0,1]=4 6065 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [0,0,0,0,0,2|1,0,1]=4 6066 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [0,0,0,0,0,2|1,0,1]=4 6067 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [0,0,0,0,0,2|1,0,1]=4 6068 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,0,0,0,0,2|1,0,0]=3 6069 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,0,0,0,0,2|1,0,0]=3 6070 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,0,0,0,0,2|1,0,0]=3 6071 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,0,0,0,0,2|0,0,1]=3 6072 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,0,0,0,0,2|1,0,1]=4 6073 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,0,0,0,0,2|1,0,1]=4 6074 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,0,0,0,0,2|1,0,1]=4 6075 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,0,0,0,0,2|1,0,1]=4 6076 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 34a_100000687866_100000761209 [0,0,0,0,0,2|1,0,1]=4 6077 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,0,0,0,0,2|1,0,0]=3 6078 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,0,0,0,0,2|1,0,0]=3 6079 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,0,0,0,0,2|0,0,1]=3 6080 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,0,0,0,0,2|0,0,1]=3 6081 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [0,0,0,0,0,2|1,0,1]=4 6082 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [0,0,0,0,0,2|1,0,1]=4 6083 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [0,0,0,0,0,2|1,0,1]=4 6084 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [0,0,0,0,0,2|1,0,1]=4 6085 B10R0.78 CCCCC(C)SC[N+](=O)[O-] 62a_200011215066_100000761209 [0,0,0,0,0,2|1,0,1]=4 6086 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,0,0,0,0,2|2,0,0]=4 6087 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,0,0,0,0,2|2,0,0]=4 6088 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,0,0,0,0,2|2,0,0]=4 6089 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,0,0,0,0,2|2,0,0]=4 6090 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,0,0,0,0,2|2,0,0]=4 6091 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,0,0,0,0,2|2,0,0]=4 6092 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,0,0,0,0,2|2,0,0]=4 6093 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,0,0,0,0,2|2,0,0]=4 6094 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,0,0,0,0,2|2,0,0]=4 6095 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,0,0,0,0,2|2,0,0]=4 6096 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,0,0,0,0,2|2,0,0]=4 6097 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,0,0,0,0,2|2,0,0]=4 6098 B10R0.78 CCOCC(C)OCC(=O)N 34a_100000718985_100000187820 [0,0,0,0,0,2|2,0,0]=4 6099 B10R0.78 CCOCC(C)OCC(=O)N 7a_100000718985_100000187820 [0,0,0,0,0,2|2,0,0]=4 6100 B10R0.78 CCOCC(C)OCC(=O)[O-] 34a_100000718985_100020667443 [0,0,0,0,0,2|1,0,1]=4 6101 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,0,0,0,0,2|2,0,0]=4 6102 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,0,0,0,0,2|2,0,0]=4