0 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.8 C#CCNC(=O)C(=O)N 240690a_100000212058_100011215815 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,0,0,0,0,0|2,1,0]=3 18 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,0,0,0,0,0|1,0,3]=4 27 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.8 CC#CCC(=O)C(O)O 1458a_100000233687_100000748600 [0,0,0,0,0,0|1,0,3]=4 31 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [0,0,0,0,0,0|1,0,3]=4 38 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.8 CC=NNC(=O)C(=O)N 4a_100000211141_200000210099 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,0,0,0,0,0|1,0,2]=3 47 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 48 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,0,0,0,0,0|2,0,1]=3 52 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,0,0,0,0,0|4,0,0]=4 73 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,0,0,0,0,0|3,1,0]=4 78 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,0,0,0,0,0|3,0,0]=3 80 B8R0.8 CNCCC(=C(F)F)F 2230a_106832991635_100000036642 [0,0,0,0,0,0|4,0,0]=4 81 B8R0.8 CNCCC(=C(F)F)F 34a_100102657272_100009813398 [0,0,0,0,0,0|4,0,0]=4 82 B8R0.8 CNCCC(=C(F)F)F 7a_106832991635_100009813398 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,0,0,0,0,0|4,0,0]=4 84 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.8 COCCC(=C(F)F)F 34a_100000068906_200000210301 [0,0,0,0,0,0|3,1,0]=4 87 B8R0.8 COCCC(=C(F)F)F 34a_100138415774_100009813398 [0,0,0,0,0,0|3,1,0]=4 88 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,0,0,0,0,0|2,1,1]=4 89 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,0,0,0,0,0|2,1,1]=4 90 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,0,0,0,0,0|2,1,1]=4 91 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,0,0,0,0,0|0,1,2]=3 92 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,0,0,0,0,0|3,1,0]=4 93 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,0,0,0,0,0|3,1,0]=4 94 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,0,0,0,0,0|3,1,0]=4 95 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,0,0,0,0,0|3,1,0]=4 96 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,0,0,0,0,0|3,1,0]=4 97 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,0,0,0,0,0|1,1,1]=3 98 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,0,0,0,0,0|1,1,1]=3 99 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,0,0,0,0,0|3,1,0]=4 100 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,0,0,0,0,0|3,1,0]=4 101 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,0,0,0,0,0|3,1,0]=4 102 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,0,0,0,0,0|3,1,0]=4 103 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,0,0,0,0,0|2,1,1]=4 104 B8R0.8 CSCCC(=C(F)F)F 62a_100009813398_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B8R0.8 CSCCC(=C(F)F)F 62a_200000210301_100009813398 [0,0,0,0,0,0|3,0,0]=3 106 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,0,0,0,0,0|2,0,1]=3 107 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,0,0,0,0,0|2,0,1]=3 108 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,0,0,0,0,0|2,0,1]=3 109 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,0,0,0,0,0|0,0,2]=2 110 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,0,0,0,0,0|3,0,0]=3 112 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,0,0,0,0,0|3,0,0]=3 115 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,0,0,0,0,0|3,0,0]=3 116 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,0,0,0,0,0|1,0,1]=2 117 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,0,0,0,0,0|1,0,1]=2 118 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,0,0,0,0,0|1,0,2]=3 119 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,0,0,0,0,0|1,0,2]=3 120 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,0,0,0,0,0|2,0,1]=3 125 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,0,0,0,0,0|3,0,1]=4 126 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,0,0,0,0,0|3,0,1]=4 127 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,0,0,0,0,0|3,0,1]=4 129 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,0,0,0,0,0|3,0,1]=4 130 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,0,0,0,0,0|3,0,1]=4 131 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,0,0,0,0,0|3,0,1]=4 135 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,0,0,0,0,0|3,0,1]=4 140 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,0,0,0,0,0|3,0,1]=4 141 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,0,0,0,0,0|3,0,1]=4 142 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [0,0,0,0,0,0|2,0,2]=4 146 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,0,0,0,0,0|4,0,0]=4 147 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,0,0,0,0,0|4,0,0]=4 148 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,0,0,0,0,0|2,0,2]=4 149 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.8 [13CH3]OCCC(=C(F)F)F 34a_100000068906_200025704644 [0,0,0,0,0,0|3,1,0]=4 151 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_100009813398_200025704644 [0,0,0,0,0,0|3,0,0]=3 152 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_200025704644_100009813398 [0,0,0,0,0,0|3,0,0]=3 153 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|1,1,1]=4 155 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|1,0,1]=3 156 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,0,0,0,0,0|1,0,2]=4 158 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,0,0,0,0|1,0,2]=4 159 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [1,0,0,0,0,0|3,0,0]=4 163 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|2,0,0]=3 164 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|1,1,0]=3 167 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|1,0,0]=2 168 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|3,0,0]=4 169 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|3,0,0]=4 170 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,0,0,0,0|1,0,2]=4 172 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,0,0,0,0,0|1,0,2]=4 173 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,0,0,0,0|1,0,2]=4 174 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,1,1]=4 175 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,1,1]=4 176 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,1]=3 177 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,1]=3 178 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,1]=3 182 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|3,0,0]=4 183 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|3,0,0]=4 184 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|3,0,0]=4 185 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|3,0,0]=4 186 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,1,0]=4 191 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,1,0]=4 192 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,1,0]=4 193 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,1,0]=4 194 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,1,0]=4 195 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,1,0]=4 196 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,1,0]=4 197 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,0]=3 198 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 199 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 200 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 201 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,0]=3 202 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,0]=3 203 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,0]=3 204 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,0]=3 205 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|3,0,0]=4 206 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|3,0,0]=4 207 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|3,0,0]=4 209 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|3,0,0]=4 210 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|3,0,0]=4 211 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|3,0,0]=4 212 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|3,0,0]=4 213 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|2,0,0]=3 214 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|2,0,0]=3 215 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|2,0,0]=3 216 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|2,0,0]=3 217 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|3,0,0]=4 218 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|3,0,0]=4 219 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [1,0,0,0,0,0|2,1,0]=4 220 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|1,1,1]=4 221 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|0,1,1]=3 222 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|2,1,0]=4 223 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|1,0,1]=3 224 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|0,0,1]=2 225 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,0,0,0,0,0|2,0,1]=4 226 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|2,0,1]=4 227 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|2,0,1]=4 228 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [1,0,0,0,0,0|2,1,0]=4 229 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|2,0,0]=3 230 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|2,0,0]=3 231 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,1,1]=4 232 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,1,1]=4 233 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,1]=3 234 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,1]=3 235 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,1,0]=4 237 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,0]=3 238 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,0]=3 239 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|2,0,0]=3 240 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|2,0,0]=3 241 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|1,0,2]=4 242 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|1,0,2]=4 243 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|2,0,1]=4 244 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|2,0,1]=4 245 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|2,0,1]=4 247 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|2,0,1]=4 248 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|3,0,0]=4 249 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|3,0,0]=4 250 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|3,0,0]=4 251 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|3,0,0]=4 252 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,1]=4 253 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|3,0,0]=4 254 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|3,0,0]=4 255 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|3,0,0]=4 256 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [1,0,0,0,0,0|3,0,0]=4 257 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [1,0,0,0,0,0|3,0,0]=4 258 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [1,0,0,0,0,0|3,0,0]=4 259 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,1]=4 260 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,1]=4 261 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,1]=4 262 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,1]=4 263 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,1]=4 264 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|3,0,0]=4 265 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 266 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 267 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 268 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 269 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 270 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|3,0,0]=4 271 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|3,0,0]=4 272 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 273 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 274 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|1,1,1]=4 275 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|1,1,1]=4 276 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|2,1,0]=4 277 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [1,0,0,0,0,0|2,1,0]=4 278 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,1,1]=4 279 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,1,1]=4 280 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,1,1]=4 281 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,1,1]=4 282 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,1,1]=4 283 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|1,1,1]=4 284 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,1,1]=4 285 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,1,0]=4 286 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,1,0]=4 287 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,1,0]=4 288 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,1,0]=4 289 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|2,1,0]=4 290 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|2,1,0]=4 291 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|2,1,0]=4 292 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|2,1,0]=4 293 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|1,1,1]=4 294 B7R0.4 CSC/C=C/B(O)O 62a_100016262062_200000210301 [1,0,0,0,0,0|1,0,2]=4 295 B7R0.4 CSC/C=C/B(O)O 62a_200000210301_100016262062 [1,0,0,0,0,0|1,0,2]=4 296 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|2,0,0]=3 297 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|2,0,0]=3 298 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [1,0,0,0,0,0|2,0,0]=3 299 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [1,0,0,0,0,0|2,0,0]=3 300 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,1]=3 301 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,1]=3 302 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,1]=3 303 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|1,0,1]=3 304 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|1,0,1]=3 305 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,1]=3 306 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|1,0,2]=4 307 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|1,0,2]=4 308 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 309 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 310 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 311 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,0]=3 312 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,0]=3 313 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,0]=3 314 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|2,0,0]=3 315 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|2,0,0]=3 316 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|2,0,0]=3 317 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|2,0,0]=3 318 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|2,0,0]=3 319 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|2,0,0]=3 320 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|2,0,1]=4 321 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|1,0,1]=3 322 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|2,0,1]=4 323 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|2,0,1]=4 324 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|2,0,1]=4 325 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|1,0,2]=4 326 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|1,0,2]=4 327 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,1]=4 328 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 329 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|2,1,0]=4 330 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|2,1,0]=4 331 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_100016262062_200025704644 [1,0,0,0,0,0|1,0,2]=4 332 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_200025704644_100016262062 [1,0,0,0,0,0|1,0,2]=4 333 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [1,0,0,0,0,0|2,0,0]=3 334 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [1,0,0,0,0,0|2,0,0]=3 335 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|1,0,1]=3 336 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|1,0,1]=3 337 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|2,0,0]=3 338 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|2,0,0]=3 339 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|2,0,0]=3 340 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|2,0,0]=3 341 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [1,0,0,0,0,0|3,0,0]=4 342 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,0,0,0,0|2,0,0]=3 343 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,0,0,0,0,0|3,0,0]=4 344 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,0,0,0,0,0|2,1,0]=4 345 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [1,0,0,0,0,0|3,0,0]=4 347 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [1,0,0,0,0,0|3,0,0]=4 348 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,0,0,0,0,0|1,0,0]=2 349 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,0,0,0,0,0|1,0,0]=2 350 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,0,0,0,0,0|2,0,1]=4 351 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,0,0,0,0,0|2,0,1]=4 352 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,0,0|2,0,1]=4 356 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,0,0,0,0,0|0,0,2]=3 359 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 361 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 362 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 363 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,0,0|1,0,1]=3 364 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,0,0|1,0,1]=3 365 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|2,0,1]=4 366 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|2,0,1]=4 367 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|2,0,1]=4 368 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 369 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 370 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|3,0,0]=4 372 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|1,0,2]=4 373 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|1,0,2]=4 374 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,0,0,0,0|2,0,0]=3 375 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,0,0,0,0,0|2,0,0]=3 376 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,0,0,0,0|2,0,0]=3 377 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,0,0,0,0,0|1,0,2]=4 378 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,0,0|2,0,1]=4 379 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,0,0|2,0,1]=4 380 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,0,0,0,0,0|3,0,0]=4 382 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,0,0,0,0,0|3,0,0]=4 383 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,0,0,0,0,0|2,0,0]=3 384 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|2,0,1]=4 385 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [1,0,0,0,0,0|3,0,0]=4 387 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,0,0,0,0,0|1,1,0]=3 388 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,0,0,0,0,0|1,0,0]=2 389 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,0,0,0,0,0|1,0,0]=2 390 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 394 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 395 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 396 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,0,0,0,0,0|3,0,0]=4 398 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,0,0,0,0,0|3,0,0]=4 399 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,0,0,0,0|1,1,1]=4 403 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,0,0,0,0|1,1,1]=4 405 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,0,0,0,0,0|1,0,2]=4 406 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,0,0,0,0,0|0,1,2]=4 407 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,1]=4 408 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,1,0,0,0,0|2,0,1]=4 409 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [0,1,0,0,0,0|1,1,1]=4 410 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [0,1,0,0,0,0|2,0,1]=4 411 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [0,1,0,0,0,0|2,0,1]=4 412 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [0,1,0,0,0,0|1,0,1]=3 413 B9R0.3 CSCCC(=O)C(F)(F)F 1458a_100000174002_200000243211 [0,1,0,0,0,0|2,0,1]=4 414 B9R0.3 CSCCC(=O)C(F)(F)F 1458a_100015355933_100000751147 [0,1,0,0,0,0|2,0,1]=4 415 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,1,0,0,0,0|3,0,0]=4 416 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [0,1,0,0,0,0|2,1,0]=4 417 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,1,0,0,0,0|1,0,2]=4 418 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,1,0,0,0,0|2,0,1]=4 419 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,1,0,0,0,0|2,0,1]=4 420 B9R0.6 CCCN(C)C(=O)C(=O)N 240690a_100000747261_100011215815 [0,1,0,0,0,0|3,0,0]=4 421 B9R0.6 COCC(C)C(=O)C(O)O 1458a_100000233687_100000765312 [0,1,0,0,0,0|0,1,2]=4 422 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,1,0,0,0,0|1,1,1]=4 423 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,1,0,0,0,0|1,1,1]=4 424 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [0,1,0,0,0,0|2,0,1]=4 425 B9R0.6 CSCC(C)C(=O)N(C)C 11a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 426 B9R0.6 CSCC(C)C(=O)N(C)C 1626a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 427 B9R0.6 CSCC(C)C(=O)N(C)C 240690a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 428 B9R0.6 CSCC(C)C(=O)N(C)C 527a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 429 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,1,0,0,0,0|2,0,1]=4 430 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,0|3,0,0]=4 431 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,1,0,0,0,0|3,0,0]=4 432 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,1,0,0,0,0|3,0,0]=4 433 B9R0.7 C=C(C)CCC(=O)C(O)O 1458a_100000233687_100000730704 [0,1,0,0,0,0|1,0,2]=4 434 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,1,0,0,0,0|2,0,1]=4 435 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,1,0,0,0,0|2,0,1]=4 436 B9R0.7 C=C(C)CNC(=O)C(=O)N 240690a_100000765925_100011215815 [0,1,0,0,0,0|3,0,0]=4 437 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,0|3,0,0]=4 438 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,0|3,0,0]=4 439 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,0|3,0,0]=4 440 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,0|3,0,0]=4 441 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,0|3,0,0]=4 442 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,1,0,0,0,0|1,0,2]=4 443 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,0|2,0,1]=4 444 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,0|2,0,1]=4 445 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,1,0,0,0,0|3,0,0]=4 446 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,0|3,0,0]=4 447 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,1,0,0,0,0|1,0,2]=4 448 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,1,0,0,0,0|2,0,1]=4 449 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,1,0,0,0,0|2,0,1]=4 450 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,1,0,0,0,0|3,0,0]=4 451 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,1,0,0,0,0|2,0,1]=4 452 B9R0.8 C#CCCC(=O)C(=O)NC 1458a_100011218921_100000753159 [0,1,0,0,0,0|2,0,1]=4 453 B9R0.8 C#CCNC(=O)C(=O)OC 11a_100000212058_100000024059 [0,1,0,0,0,0|2,0,1]=4 454 B9R0.8 C#CCNC(=O)C(=O)OC 1626a_100000212058_100000024059 [0,1,0,0,0,0|2,0,1]=4 455 B9R0.8 C#CCNC(=O)C(=O)OC 240690a_100000212058_100000024059 [0,1,0,0,0,0|2,0,1]=4 456 B9R0.8 C#CCNC(=O)C(=O)OC 527a_100000212058_100000024059 [0,1,0,0,0,0|2,0,1]=4 457 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|3,0,0]=4 458 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,1,0,0,0,0|2,1,0]=4 459 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,1,0,0,0,0|2,0,0]=3 460 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,1,0,0,0,0|2,0,1]=4 461 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|3,0,0]=4 462 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|3,0,0]=4 463 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|3,0,0]=4 464 B9R0.8 C=CC(=O)N(C)CCSC 1626a_100000686725_100000185746 [0,1,0,0,0,0|3,0,0]=4 465 B9R0.8 C=CC(=O)N(C)CCSC 240690a_100000686725_200121576911 [0,1,0,0,0,0|3,0,0]=4 466 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,1,0,0,0,0|2,0,1]=4 467 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,1,0,0,0,0|2,0,1]=4 468 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,1,0,0,0,0|2,0,1]=4 469 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,1,0,0,0,0|2,0,1]=4 470 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,1,0,0,0,0|2,0,1]=4 471 B9R0.8 CC#CCC(=O)C(=O)NC 1458a_100011218921_100000748600 [0,1,0,0,0,0|2,0,1]=4 472 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,1,0,0,0,0|2,0,1]=4 473 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|1,0,2]=4 474 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 475 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 476 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 477 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 478 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|2,0,1]=4 479 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|2,0,1]=4 480 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|1,1,1]=4 481 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|1,0,1]=3 482 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|2,0,0]=3 483 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|2,0,1]=4 484 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|2,0,1]=4 485 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|1,0,2]=4 486 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|2,0,1]=4 487 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,0,0,0,0|3,0,0]=4 488 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,0,0,0,0|3,0,0]=4 489 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|3,0,0]=4 490 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,0,0,0,0|3,0,0]=4 491 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|3,0,0]=4 492 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|3,0,0]=4 493 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|3,0,0]=4 494 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|3,0,0]=4 495 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|3,0,0]=4 496 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|3,0,0]=4 497 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 498 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 499 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 500 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 501 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 502 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 503 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 504 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 505 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|2,0,0]=3 506 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|2,0,0]=3 507 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|2,0,0]=3 508 B9R0.8 CNC(=O)C(=O)CCC#N 1458a_100011218921_100011215226 [0,1,0,0,0,0|3,0,0]=4 509 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,0,0,0,0|3,0,0]=4 510 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|3,0,0]=4 511 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|1,1,0]=3 512 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|1,0,0]=2 513 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,1,0,0,0,0|1,0,2]=4 514 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 515 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 516 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|2,0,1]=4 517 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|2,0,1]=4 518 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|2,0,1]=4 519 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,1,0,0,0,0|3,0,0]=4 520 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,1,0,0,0,0|3,0,0]=4 521 B9R0.8 COC(=O)C(=O)NCC#N 1626a_100000734998_100000024059 [0,1,0,0,0,0|3,0,0]=4 522 B9R0.8 COC(=O)C(=O)NCC#N 527a_100000734998_100000024059 [0,1,0,0,0,0|3,0,0]=4 523 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,1,0,0,0,0|3,0,0]=4 524 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,1,0,0,0,0|3,0,0]=4 525 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,1,0,0,0,0|3,0,0]=4 526 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,1,0,0,0,0|3,0,0]=4 527 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,1,0,0,0,0|3,0,0]=4 528 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,1,0,0,0,0|3,0,0]=4 529 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|1,0,1]=3 530 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|1,0,1]=3 531 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|1,0,1]=3 532 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|1,0,1]=3 533 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,1,0,0,0,0|2,0,1]=4 534 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,1,0,0,0,0|2,0,1]=4 535 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,1,0,0,0,0|2,0,1]=4 536 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,1,0,0,0,0|1,0,1]=3 537 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,1,0,0,0,0|1,1,1]=4 538 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,1,0,0,0,0|0,1,2]=4 539 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|1,1,1]=4 540 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,1,0,0,0,0|2,1,0]=4 541 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,1,0,0,0,0|2,1,0]=4 542 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,1,0,0,0,0|2,0,1]=4 543 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,1,0,0,0,0|2,0,1]=4 544 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,1,0,0,0,0|1,1,1]=4 545 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,1,0,0,0,0|0,0,2]=3 546 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,1,0,0,0,0|1,0,2]=4 547 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,1,0,0,0,0|2,0,0]=3 548 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,1,0,0,0,0|2,0,0]=3 549 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [0,1,0,0,0,0|2,0,1]=4 550 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,1,0,0,0,0|2,0,1]=4 551 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,1,0,0,0,0|2,0,1]=4 552 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,1,0,0,0,0|2,0,1]=4 553 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,1,0,0,0,0|1,0,1]=3 554 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,1,0,0,0,0|1,1,1]=4 555 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,1,0,0,0,0|2,0,1]=4 556 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,1,0,0,0,0|2,0,1]=4 557 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,1,0,0,0,0|1,0,1]=3 558 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [0,1,0,0,0,0|1,0,2]=4 559 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,1,0,0,0,0|1,1,1]=4 560 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,0,0,0,0|3,0,0]=4 561 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,1,0,0,0,0|3,0,0]=4 562 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,0,0,0,0|3,0,0]=4 563 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,0|2,0,1]=4 564 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,0,0,0,0|1,0,2]=4 565 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,0,0,0,0|2,0,1]=4 566 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,0,0,0,0|2,0,1]=4 567 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,0,0,0,0|3,0,0]=4 568 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,1,0,0,0,0|3,0,0]=4 569 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,0,0,0,0|3,0,0]=4 570 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,1,0,0,0,0|1,0,2]=4 571 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,1,0,0,0,0|2,0,1]=4 572 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,1,0,0,0,0|2,0,1]=4 573 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,1,0,0,0,0|3,0,0]=4 574 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,0,0,0,0|1,0,2]=4 575 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,0,0,0,0|2,0,1]=4 576 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,0,0,0,0|2,0,1]=4 577 B9R0.47 C#CCCNC(=O)C(=O)N 240690a_100000755551_100011215815 [0,1,0,0,0,0|2,0,1]=4 578 B9R0.47 C#CCNCC(=O)C(=O)C 34a_100000212058_100011261029 [0,1,0,0,0,0|2,0,1]=4 579 B9R0.47 C#CCOCC(=O)C(=O)C 34a_100000210247_100011261029 [0,1,0,0,0,0|2,0,1]=4 580 B9R0.47 C#CCSCC(=O)C(=O)C 62a_100000038162_100011261029 [0,1,0,0,0,0|2,0,1]=4 581 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,1,0,0,0,0|3,0,0]=4 582 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,1,0,0,0,0|3,0,0]=4 583 B9R0.47 C=C(Br)C(=O)NCCOC 1626a_100000209980_100009813364 [0,1,0,0,0,0|2,1,0]=4 584 B9R0.47 C=C(Br)C(=O)NCCSC 11a_100020590264_100009813364 [0,1,0,0,0,0|2,0,0]=3 585 B9R0.47 C=C(Br)C(=O)NCCSC 1626a_100020590264_100009813364 [0,1,0,0,0,0|2,0,0]=3 586 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|3,0,0]=4 587 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|3,0,0]=4 588 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|3,0,0]=4 589 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|2,1,0]=4 590 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|2,1,0]=4 591 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|2,0,0]=3 592 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|3,0,0]=4 593 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|3,0,0]=4 594 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|3,0,0]=4 596 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,1,0,0,0,0|2,1,0]=4 597 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|2,0,0]=3 598 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|2,0,0]=3 599 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 600 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,0,0,0,0|3,0,0]=4 601 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 602 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,0,0,0,0|2,1,0]=4 603 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,0,0,0,0|2,0,0]=3 604 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,0,0,0,0|2,0,0]=3 605 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,0,0,0,0|2,0,0]=3 606 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,0,0,0,0|2,0,0]=3 607 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,1,0,0,0,0|3,0,0]=4 608 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.47 C=C(Cl)C(=O)NCCOC 1626a_100000209980_100000039160 [0,1,0,0,0,0|2,1,0]=4 610 B9R0.47 C=C(Cl)C(=O)NCCSC 11a_100020590264_100000039160 [0,1,0,0,0,0|2,0,0]=3 611 B9R0.47 C=C(Cl)C(=O)NCCSC 1626a_100020590264_100000039160 [0,1,0,0,0,0|2,0,0]=3 612 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,1,0,0,0,0|3,0,0]=4 613 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,1,0,0,0,0|3,0,0]=4 614 B9R0.47 C=C(F)C(=O)NCCOC 1626a_100000209980_100000036797 [0,1,0,0,0,0|2,1,0]=4 615 B9R0.47 C=C(F)C(=O)NCCSC 11a_100020590264_100000036797 [0,1,0,0,0,0|2,0,0]=3 616 B9R0.47 C=C(F)C(=O)NCCSC 1626a_100020590264_100000036797 [0,1,0,0,0,0|2,0,0]=3 617 B9R0.47 C=CCCNC(=O)C(=O)N 240690a_100015191253_100011215815 [0,1,0,0,0,0|2,0,1]=4 618 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,1,0,0,0,0|2,0,1]=4 619 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [0,1,0,0,0,0|2,0,1]=4 620 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [0,1,0,0,0,0|2,0,1]=4 621 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|3,0,0]=4 622 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|3,0,0]=4 623 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,1,0,0,0,0|3,0,0]=4 624 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|3,0,0]=4 625 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011215382_100011261029 [0,1,0,0,0,0|3,0,0]=4 626 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011261029_100011215382 [0,1,0,0,0,0|3,0,0]=4 627 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,1,0,0,0,0|3,0,0]=4 628 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,1,0,0,0,0|3,0,0]=4 629 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,1,0,0,0,0|3,0,0]=4 630 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,1,0,0,0,0|3,0,0]=4 631 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|3,0,0]=4 632 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|3,0,0]=4 633 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|1,0,2]=4 634 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|2,0,1]=4 635 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|2,0,1]=4 636 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,0]=3 637 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,0,0,0,0|1,0,2]=4 638 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|2,0,1]=4 639 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|2,0,1]=4 640 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|2,0,1]=4 641 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|2,0,1]=4 642 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|2,0,1]=4 643 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|2,0,1]=4 644 B9R0.47 CCCNNC(=O)C(=O)N 22a_100000740057_100011215815 [0,1,0,0,0,0|3,0,0]=4 645 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|2,0,0]=3 646 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|2,0,0]=3 647 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|2,0,0]=3 648 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,0,0,0,0|0,1,2]=4 649 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|1,1,1]=4 650 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|1,1,1]=4 651 B9R0.47 CCSCCC(=C(F)F)F 62a_100000210202_100009813398 [0,1,0,0,0,0|3,0,0]=4 652 B9R0.47 CCSCCC(=C(F)F)F 62a_100009813398_100000210202 [0,1,0,0,0,0|3,0,0]=4 653 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|2,0,1]=4 654 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|2,0,1]=4 655 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|2,0,1]=4 656 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,0,0,0,0|0,0,2]=3 657 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,1,0,0,0,0|3,0,0]=4 658 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,1,0,0,0,0|3,0,0]=4 659 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,1,0,0,0,0|3,0,0]=4 660 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,1,0,0,0,0|3,0,0]=4 661 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,1,0,0,0,0|3,0,0]=4 662 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,1,0,0,0,0|3,0,0]=4 663 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|1,0,1]=3 664 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|1,0,1]=3 665 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,1,0,0,0,0|3,0,0]=4 667 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,1,0,0,0,0|3,0,0]=4 668 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,1,0,0,0,0|3,0,0]=4 669 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|0,1,2]=4 670 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|1,1,1]=4 671 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|1,1,1]=4 672 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,1,0,0,0,0|1,1,0]=3 673 B9R0.47 COCCNC(=O)C(O)O 240690a_100000209980_100000233687 [0,1,0,0,0,0|0,1,2]=4 674 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,1,0,0,0,0|1,1,1]=4 675 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,1,0,0,0,0|1,1,1]=4 676 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,1,0,0,0,0|1,1,1]=4 677 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,0,0,0,0|1,1,1]=4 678 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,0,0,0,0|1,1,1]=4 679 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,0,0,0,0|1,1,1]=4 680 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|1,1,0]=3 681 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|1,1,0]=3 682 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|2,0,1]=4 683 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,1,0,0,0,0|3,0,0]=4 684 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,1,0,0,0,0|3,0,0]=4 685 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,1,0,0,0,0|3,0,0]=4 686 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,1,0,0,0,0|3,0,0]=4 689 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,1,0,0,0,0|1,0,0]=2 690 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,1,0,0,0,0|2,0,1]=4 691 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,1,0,0,0,0|2,0,1]=4 692 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,1,0,0,0,0|2,0,1]=4 693 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,1,0,0,0,0|2,0,1]=4 694 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,1,0,0,0,0|2,0,1]=4 695 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,1,0,0,0,0|2,0,1]=4 696 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,1,0,0,0,0|2,0,1]=4 697 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,1,0,0,0,0|2,0,1]=4 698 B9R0.47 CSCCNC(=O)C(F)F 11a_100020590264_100000210393 [0,1,0,0,0,0|2,0,1]=4 699 B9R0.47 CSCCNC(=O)C(F)F 1626a_100020590264_100000210393 [0,1,0,0,0,0|2,0,1]=4 700 B9R0.47 CSCCNC(=O)C(F)F 240690a_100020590264_100000210393 [0,1,0,0,0,0|2,0,1]=4 701 B9R0.47 CSCCNC(=O)C(F)F 527a_100020590264_100000210393 [0,1,0,0,0,0|2,0,1]=4 702 B9R0.47 CSCCNC(=O)C(O)O 240690a_100020590264_100000233687 [0,1,0,0,0,0|0,0,2]=3 703 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,1,0,0,0,0|3,0,0]=4 704 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,1,0,0,0,0|1,0,1]=3 705 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,1,0,0,0,0|1,0,1]=3 706 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,1,0,0,0,0|1,0,1]=3 707 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,1,0,0,0,0|2,0,1]=4 708 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,1,0,0,0,0|2,0,1]=4 709 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,1,0,0,0,0|2,0,1]=4 710 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,0,0,0,0|1,0,1]=3 711 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,1,0,0,0,0|2,0,1]=4 712 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,1,0,0,0,0|2,0,1]=4 713 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,1,0,0,0,0|2,0,1]=4 714 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,1,0,0,0,0|2,0,1]=4 715 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,1,0,0,0,0|2,0,1]=4 716 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,1,0,0,0,0|2,0,1]=4 717 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,1,0,0,0,0|2,0,1]=4 718 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,1,0,0,0,0|2,0,1]=4 719 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,1,0,0,0,0|1,0,2]=4 720 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,1,0,0,0,0|1,0,2]=4 721 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,1,0,0,0,0|2,0,1]=4 722 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,1,0,0,0,0|2,0,1]=4 723 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,1,0,0,0,0|2,0,1]=4 724 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,1,0,0,0,0|2,0,1]=4 725 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,1,0,0,0,0|2,0,1]=4 726 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,1,0,0,0,0|2,0,1]=4 727 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,1,0,0,0,0|2,0,1]=4 728 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,1,0,0,0,0|2,0,1]=4 729 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,1,0,0,0,0|1,0,2]=4 730 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,1,0,0,0,0|1,0,2]=4 731 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,1,0,0,0,0|3,0,0]=4 732 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,0,0,0,0|1,0,1]=3 733 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,0,0,0,0|1,0,1]=3 734 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,1,0,0,0,0|2,0,1]=4 735 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,1,0,0,0,0|2,0,1]=4 736 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|1,0,0]=2 737 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|1,0,0]=2 738 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,1,0,0,0,0|2,0,1]=4 739 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,1,0,0,0,0|2,0,1]=4 740 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,1,0,0,0,0|3,0,0]=4 741 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,1,0,0,0,0|3,0,0]=4 742 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|2,0,1]=4 743 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|2,0,1]=4 744 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|2,0,1]=4 745 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|2,0,1]=4 746 B9R0.47 FCSCCC(=C(F)F)F 62a_100009813398_100015361967 [0,1,0,0,0,0|3,0,0]=4 747 B9R0.47 FCSCCC(=C(F)F)F 62a_100015361967_100009813398 [0,1,0,0,0,0|3,0,0]=4 748 B9R0.47 N#CCCNC(=O)C(=O)N 240690a_100000720768_100011215815 [0,1,0,0,0,0|3,0,0]=4 749 B9R0.47 NC(=O)C(=O)NCCCF 240690a_100015189416_100011215815 [0,1,0,0,0,0|3,0,0]=4 750 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,1,0,0,0,0|3,0,0]=4 751 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,1,0,0,0,0|1,0,2]=4 752 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,1,0,0,0,0|1,0,2]=4 753 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|3,0,0]=4 754 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|2,0,1]=4 755 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 756 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 757 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,1,0,0|3,0,0]=4 758 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|3,0,0]=4 759 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|2,0,1]=4 760 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,0,0,1,0,0|1,0,1]=3 761 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,0,0,1,0,0|1,0,1]=3 762 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,0,0,1,0,0|2,0,1]=4 763 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,0,0,1,0,0|1,0,1]=3 764 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,0,0,1,0,0|1,0,1]=3 765 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|2,0,1]=4 766 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|2,0,1]=4 767 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|2,0,1]=4 768 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|2,0,1]=4 769 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,1,0,0|2,0,1]=4 770 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [0,0,0,1,0,0|3,0,0]=4 771 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [0,0,0,1,0,0|3,0,0]=4 772 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [0,0,0,1,0,0|3,0,0]=4 773 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [0,0,0,1,0,0|3,0,0]=4 774 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,1,0,0|2,0,1]=4 775 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,0,0,1,0,0|2,0,1]=4 776 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,0,0,1,0,0|1,1,1]=4 777 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,0,0,1,0,0|2,0,1]=4 778 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,0,0,1,0,0|1,0,1]=3 779 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,0,0,1,0,0|3,0,0]=4 780 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,0,0,1,0,0|2,1,0]=4 781 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,0,0,1,0,0|2,0,1]=4 782 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,0,0,1,0,0|1,1,1]=4 783 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,0,0,1,0,0|2,0,1]=4 784 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,0,0,1,0,0|1,1,1]=4 785 B9R1.110 NC(=O)C(=O)N1CCC1 240690a_100000754969_100011215815 [0,0,0,1,0,0|3,0,0]=4 786 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,0,0,1,0,0|1,0,2]=4 787 B9R1.110 O=C(C(O)O)C1COC1 1458a_100000233687_100000687716 [0,0,0,1,0,0|0,1,2]=4 788 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,0,0,1,0,0|3,0,0]=4 789 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,0,0,1,0,0|2,1,0]=4 790 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,0,0,1,0,0|2,0,0]=3 791 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,0,0,1,0,0|2,1,0]=4 792 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,0,0,1,0,0|3,0,0]=4 793 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,0,0,1,0,0|2,0,1]=4 794 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,0,0,1,0,0|2,0,1]=4 795 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,0,0,1,0,0|2,0,1]=4 796 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,0,0,1,0,0|1,1,1]=4 797 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,0,0,1,0,0|1,0,1]=3 798 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,0,0,1,0,0|1,1,1]=4 799 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,0,0,1,0,0|2,0,1]=4 800 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,0,0,1,0,0|1,1,1]=4 801 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,0,0,1,0,0|1,0,1]=3 802 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,0,0,1,0,0|1,1,1]=4 803 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,0,0,1,0,0|3,0,0]=4 804 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,0,0,1,0,0|1,0,2]=4 805 B9R1.112 O=C(CC1CO1)C(O)O 1458a_100000233687_100011216344 [0,0,0,1,0,0|0,1,2]=4 806 B9R1.112 O=C(CC1CS1)C(O)O 1458a_100000233687_100000031435 [0,0,0,1,0,0|0,0,2]=3 807 B9R1.112 O=C(C[C@@H]1CO1)C(O)O 1458a_100000233687_100000745022 [0,0,0,1,0,0|0,1,2]=4 808 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,0,0,1,0,0|3,0,0]=4 809 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100000692101_100000187820 [0,0,0,0,0,1|2,0,1]=4 810 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100134613110_100000753159 [0,0,0,0,0,1|2,0,1]=4 811 B9R0.4 C#CCCC(=O)CC(=O)[O-] 1458a_100000692101_100020667443 [0,0,0,0,0,1|1,0,2]=4 812 B9R0.4 C/C=C/CC(=O)CC(=O)N 1458a_100134613110_100102629194 [0,0,0,0,0,1|2,0,1]=4 813 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,0,0,0,0,1|3,0,0]=4 814 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,0,0,0,0,1|2,1,0]=4 815 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,0,0,0,0,1|2,0,0]=3 816 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,0,0,0,0,1|3,0,0]=4 817 B9R0.4 C=C(F)CC(=O)CCOC 1458a_100000749529_100009893438 [0,0,0,0,0,1|2,1,0]=4 818 B9R0.4 C=C(F)CC(=O)CCSC 1458a_100000174002_100009893438 [0,0,0,0,0,1|2,0,0]=3 819 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [0,0,0,0,0,1|2,0,1]=4 820 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [0,0,0,0,0,1|2,0,1]=4 821 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [0,0,0,0,0,1|1,0,2]=4 822 B9R0.4 CC#CCC(=O)CC(=O)N 1458a_100134613110_100000748600 [0,0,0,0,0,1|2,0,1]=4 823 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,0,0,0,0,1|2,0,1]=4 824 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,0,0,0,0,1|2,0,1]=4 825 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,0,0,0,0,1|2,0,1]=4 826 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,0,0,0,0,1|2,0,1]=4 827 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100121576822_100000187820 [0,0,0,0,0,1|2,0,1]=4 828 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100134613110_100000070051 [0,0,0,0,0,1|2,0,1]=4 829 B9R0.4 CC=CCC(=O)CC(=O)[O-] 1458a_100121576822_100020667443 [0,0,0,0,0,1|1,0,2]=4 830 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,0,0,0,0,1|3,0,0]=4 831 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,0,0,0,0,1|3,0,0]=4 832 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,0,0,0,0,1|3,0,0]=4 833 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,0,0,0,0,1|3,0,0]=4 834 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,0,0,0,0,1|2,0,0]=3 835 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,0,0,0,0,1|2,0,0]=3 836 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,0,0,0,0,1|1,0,1]=3 837 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,0,0,0,0,1|2,0,1]=4 838 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,0,0,0,0,1|2,0,1]=4 839 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,0,0,0,0,1|2,0,1]=4 840 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,0,0,0,1|3,0,0]=4 841 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,0,0,0,0,1|3,0,0]=4 842 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,0,0,0,0,1|3,0,0]=4 843 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,0,0,0,0,1|3,0,0]=4 844 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,0,0,0,0,1|3,0,0]=4 845 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,0,0,0,0,1|3,0,0]=4 846 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,0,0,0,0,1|3,0,0]=4 847 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,0,0,0,0,1|2,0,1]=4 848 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,0,0,0,0,1|3,0,0]=4 849 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,0,0,0,0,1|2,0,1]=4 850 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,0,0,0,0,1|3,0,0]=4 851 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,0,0,0,0,1|3,0,0]=4 852 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,0,0,0,0,1|2,0,0]=3 853 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,0,0,0,0,1|2,0,0]=3 854 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,0,0,0,0,1|2,1,0]=4 855 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,0,0,0,0,1|2,1,0]=4 856 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,0,0,0,0,1|2,1,0]=4 857 B9R0.4 COCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000233755 [0,0,0,0,0,1|2,1,0]=4 858 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,0,0,0,0,1|1,1,0]=3 859 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,0,0,0,0,1|1,1,0]=3 860 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,0,0,0,0,1|0,1,1]=3 861 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,0,0,0,0,1|1,1,1]=4 862 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,0,0,0,0,1|1,1,1]=4 863 B9R0.4 COCCC(=O)C[N+](=O)[O-] 1458a_100000749529_100000761209 [0,0,0,0,0,1|1,1,1]=4 864 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,0,0,0,0,1|2,1,0]=4 865 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,0,0,0,0,1|2,0,0]=3 866 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,0,0,0,0,1|2,0,0]=3 867 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,0,0,0,0,1|2,0,0]=3 868 B9R0.4 CSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000751147 [0,0,0,0,0,1|2,0,0]=3 869 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,0,0,0,0,1|1,0,0]=2 870 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,0,0,0,0,1|1,0,0]=2 871 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,0,0,0,0,1|0,0,1]=2 872 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,0,0,0,0,1|2,0,1]=4 873 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,0,0,0,0,1|2,0,1]=4 874 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,0,0,0,0,1|1,0,1]=3 875 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,0,0,0,0,1|2,0,1]=4 876 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,0,0,0,0,1|3,0,0]=4 877 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,0,0,0,0,1|1,0,1]=3 878 B9R0.4 CSCCC(=O)C[N+](=O)[O-] 1458a_100000174002_100000761209 [0,0,0,0,0,1|1,0,1]=3 879 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,0,0,0,0,1|3,0,0]=4 880 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,0,0,0,0,1|1,0,0]=2 881 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,0,0,0,0,1|2,0,1]=4 882 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,0,0,0,0,1|2,0,1]=4 883 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,0,0,0,0,1|2,0,1]=4 884 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,0,0,0,0,1|2,0,1]=4 885 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,0,0,0,0,1|2,0,1]=4 886 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,0,0,0,0,1|2,0,1]=4 887 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,0,0,0,0,1|2,0,1]=4 888 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,0,0,0,0,1|2,0,1]=4 889 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000686725_100000747473 [0,0,0,0,0,1|3,0,0]=4 890 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000739694_100000751147 [0,0,0,0,0,1|3,0,0]=4 891 B9R0.4 CSCCN(C)CC(=O)N 269982a_100000686725_100000187820 [0,0,0,0,0,1|3,0,0]=4 892 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,0,0,0,0,1|2,0,0]=3 893 B9R0.4 CSCCN(C)CC(=O)[O-] 269982a_100000686725_100020667443 [0,0,0,0,0,1|2,0,1]=4 894 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100011934036_100000187820 [0,0,0,0,0,1|3,0,0]=4 895 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100134613110_100011215226 [0,0,0,0,0,1|3,0,0]=4 896 B9R0.4 N#CCCC(=O)CC(=O)[O-] 1458a_100011934036_100020667443 [0,0,0,0,0,1|2,0,1]=4 897 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,0,0,0,0,1|3,0,0]=4 898 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,0,0,0,0,1|3,0,0]=4 899 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,0,0,0,0,1|1,0,0]=2 900 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|1,0,1]=4 901 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,0]=3 902 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [2,0,0,0,0,0|2,0,0]=4 903 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|1,1,0]=4 904 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|2,0,0]=4 905 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,1]=4 906 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,1]=4 907 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,1]=4 908 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,1]=4 909 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,1]=4 910 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,1]=4 911 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,1]=4 912 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 913 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|0,0,1]=3 914 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|2,0,0]=4 915 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 916 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 917 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 918 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 919 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 920 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 921 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 922 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 923 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 924 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 925 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 926 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 927 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 928 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|2,0,0]=4 929 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|2,0,0]=4 930 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|2,0,0]=4 931 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|2,0,0]=4 932 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|1,0,1]=4 933 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|1,0,1]=4 934 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|0,1,1]=4 935 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [2,0,0,0,0,0|1,1,0]=4 936 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [2,0,0,0,0,0|1,1,0]=4 937 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 938 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 939 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 940 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,1,0]=4 941 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,1,0]=4 942 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,1,0]=4 943 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|1,0,0]=3 944 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|1,0,0]=3 945 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|1,0,0]=3 946 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|1,0,0]=3 947 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|2,0,0]=4 948 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|2,0,0]=4 949 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|0,1,1]=4 950 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|0,1,1]=4 951 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|0,0,1]=3 952 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|0,0,1]=3 953 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,0,1]=4 954 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,0,1]=4 955 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|1,0,1]=4 956 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|1,0,1]=4 957 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 958 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 959 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,1]=4 960 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,1]=4 961 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,1]=4 962 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 963 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 964 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 965 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 966 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 967 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,1]=4 968 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 969 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 970 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 971 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 972 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|0,1,1]=4 973 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|0,1,1]=4 974 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|0,1,1]=4 975 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|0,1,1]=4 976 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|1,1,0]=4 977 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|1,1,0]=4 978 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|1,1,0]=4 979 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|0,1,1]=4 980 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|2,0,0]=4 981 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|2,0,0]=4 982 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|0,0,1]=3 983 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|0,0,1]=3 984 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|0,0,1]=3 985 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|0,0,1]=3 986 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|1,0,0]=3 987 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|1,0,0]=3 988 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|0,0,1]=3 989 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|1,0,1]=4 990 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|1,0,1]=4 991 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,0,1]=4 992 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,0,1]=4 993 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 994 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|1,1,0]=4 995 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|1,1,0]=4 996 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|1,0,0]=3 997 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|1,0,0]=3 998 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,1,0]=4 999 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,1,0]=4 1000 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,1]=4 1001 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,1]=4 1002 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,1]=4 1003 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,1]=4 1004 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|2,0,0]=4 1005 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|2,0,0]=4 1006 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|2,0,0]=4 1007 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|2,0,0]=4 1008 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 1009 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 1010 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|0,0,1]=3 1011 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|0,0,1]=3 1012 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|0,0,2]=4 1013 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|0,0,2]=4 1014 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|1,0,1]=4 1015 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|1,0,1]=4 1016 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|0,0,1]=3 1017 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|0,0,1]=3 1018 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|0,0,2]=4 1019 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|0,0,2]=4 1020 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [2,0,0,0,0,0|2,0,0]=4 1021 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [2,0,0,0,0,0|0,0,2]=4 1022 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [2,0,0,0,0,0|1,0,1]=4 1023 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [2,0,0,0,0,0|1,0,1]=4 1024 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [2,0,0,0,0,0|2,0,0]=4 1025 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [2,0,0,0,0,0|2,0,0]=4 1026 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [2,0,0,0,0,0|2,0,0]=4 1027 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [1,1,0,0,0,0|1,0,1]=4 1028 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [1,1,0,0,0,0|1,0,1]=4 1029 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|2,0,0]=4 1030 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|2,0,0]=4 1031 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [1,1,0,0,0,0|1,1,0]=4 1032 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [1,1,0,0,0,0|1,1,0]=4 1033 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [1,1,0,0,0,0|1,0,0]=3 1034 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [1,1,0,0,0,0|1,0,0]=3 1035 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,1,0,0,0,0|1,0,1]=4 1036 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|2,0,0]=4 1037 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,1,0,0,0,0|1,1,0]=4 1038 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,0]=3 1039 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,1]=4 1040 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,1]=4 1041 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,1,0,0,0,0|2,0,0]=4 1042 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,1,0,0,0,0|2,0,0]=4 1043 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,1,0,0,0,0|2,0,0]=4 1044 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|1,0,1]=4 1045 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|1,0,1]=4 1046 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|1,0,1]=4 1047 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 1048 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 1049 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 1050 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,1,0,0,0,0|1,0,1]=4 1051 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,1,0,0,0,0|1,0,1]=4 1052 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,1,0,0,0,0|1,0,1]=4 1053 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,1,0,0,0,0|1,0,1]=4 1054 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,1,0,0,0,0|1,0,1]=4 1055 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,1,0,0,0,0|1,0,1]=4 1056 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,1,0,0,0,0|1,0,1]=4 1057 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,1,0,0,0,0|1,0,1]=4 1058 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,1,0,0,0,0|2,0,0]=4 1059 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|0,0,1]=3 1060 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [1,1,0,0,0,0|1,1,0]=4 1061 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [1,1,0,0,0,0|1,1,0]=4 1062 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [1,1,0,0,0,0|1,1,0]=4 1063 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|0,1,1]=4 1064 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|0,1,1]=4 1065 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|0,1,1]=4 1066 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [1,1,0,0,0,0|1,0,0]=3 1067 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [1,1,0,0,0,0|1,0,0]=3 1068 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [1,1,0,0,0,0|1,0,0]=3 1069 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [1,1,0,0,0,0|1,0,1]=4 1070 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [1,1,0,0,0,0|1,0,1]=4 1071 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,1,0,0,0,0|1,0,1]=4 1072 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|0,0,1]=3 1073 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|0,0,1]=3 1074 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,1,0,0,0,0|0,1,1]=4 1075 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 1076 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 1077 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|2,0,0]=4 1078 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [1,1,0,0,0,0|1,1,0]=4 1079 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|1,0,1]=4 1080 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,1]=4 1081 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,1,0,0,0,0|2,0,0]=4 1082 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 1083 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 1084 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 1085 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|2,0,0]=4 1086 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|2,0,0]=4 1087 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|2,0,0]=4 1088 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|2,0,0]=4 1089 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [1,1,0,0,0,0|0,1,1]=4 1090 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [1,1,0,0,0,0|1,0,1]=4 1091 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [1,1,0,0,0,0|1,0,1]=4 1092 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|2,0,0]=4 1093 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [1,1,0,0,0,0|2,0,0]=4 1094 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,1,0,0,0,0|2,0,0]=4 1095 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,1,0,0,0,0|1,1,0]=4 1096 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,1,0,0,0,0|1,1,0]=4 1097 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,1,0,0,0,0|1,0,0]=3 1098 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,1,0,0,0,0|2,0,0]=4 1099 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,1,0,0,0,0|2,0,0]=4 1100 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [1,1,0,0,0,0|2,0,0]=4 1101 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [1,1,0,0,0,0|2,0,0]=4 1102 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [1,1,0,0,0,0|1,1,0]=4 1103 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [1,1,0,0,0,0|1,1,0]=4 1104 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [1,1,0,0,0,0|1,1,0]=4 1105 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [1,1,0,0,0,0|1,1,0]=4 1106 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [1,1,0,0,0,0|1,0,0]=3 1107 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [1,1,0,0,0,0|1,0,0]=3 1108 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [1,1,0,0,0,0|2,0,0]=4 1109 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [1,1,0,0,0,0|2,0,0]=4 1110 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [1,1,0,0,0,0|2,0,0]=4 1111 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [1,1,0,0,0,0|1,1,0]=4 1112 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [1,1,0,0,0,0|1,0,0]=3 1113 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [1,1,0,0,0,0|1,0,0]=3 1114 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [1,1,0,0,0,0|1,0,0]=3 1115 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [1,1,0,0,0,0|1,0,0]=3 1116 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|1,0,1]=4 1117 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,1,0,0,0,0|1,0,1]=4 1118 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,1,0,0,0,0|1,0,1]=4 1119 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,1,0,0,0,0|1,0,1]=4 1120 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,1,0,0,0,0|1,0,1]=4 1121 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,1,0,0,0,0|1,0,1]=4 1122 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,1,0,0,0,0|1,0,1]=4 1123 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,1,0,0,0,0|1,0,1]=4 1124 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|1,0,1]=4 1125 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 1126 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 1127 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|0,1,1]=4 1128 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|1,0,1]=4 1129 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|1,0,1]=4 1130 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,1,0,0,0,0|1,0,1]=4 1131 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|0,0,1]=3 1132 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,1,0,0,0,0|2,0,0]=4 1133 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 1134 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 1135 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 1136 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,1,0,0,0,0|2,0,0]=4 1137 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,1,0,0,0,0|2,0,0]=4 1138 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,1,0,0,0,0|2,0,0]=4 1139 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,1,0,0,0,0|2,0,0]=4 1140 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,1,0,0,0,0|2,0,0]=4 1141 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 1142 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 1143 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 1144 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,1,0,0,0,0|2,0,0]=4 1146 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,1,0,0,0,0|2,0,0]=4 1147 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,1,0,0,0,0|2,0,0]=4 1148 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [1,1,0,0,0,0|2,0,0]=4 1149 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [1,1,0,0,0,0|2,0,0]=4 1150 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [1,1,0,0,0,0|2,0,0]=4 1151 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [1,1,0,0,0,0|2,0,0]=4 1152 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [1,1,0,0,0,0|2,0,0]=4 1153 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [1,1,0,0,0,0|2,0,0]=4 1154 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,1,0,0,0,0|2,0,0]=4 1155 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 1156 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 1157 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 1158 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 1159 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,1,0,0,0,0|2,0,0]=4 1160 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,1,0,0,0,0|2,0,0]=4 1161 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,1,0,0,0,0|2,0,0]=4 1162 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,1,0,0,0,0|2,0,0]=4 1163 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,1,0,0,0,0|2,0,0]=4 1164 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|2,0,0]=4 1165 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|2,0,0]=4 1166 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|2,0,0]=4 1167 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|2,0,0]=4 1168 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,1,0,0,0,0|2,0,0]=4 1169 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,1,0,0,0,0|2,0,0]=4 1170 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,1,0,0,0,0|2,0,0]=4 1171 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,1,0,0,0,0|2,0,0]=4 1172 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|0,1,1]=4 1173 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,1,0,0,0,0|0,1,1]=4 1174 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,1,0,0,0,0|0,1,1]=4 1175 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,1,0,0,0,0|1,0,1]=4 1176 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,1,0,0,0,0|0,0,1]=3 1177 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,1,0,0,0,0|0,0,1]=3 1178 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|1,0,1]=4 1179 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,1]=4 1180 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,1,0,0,0,0|1,0,1]=4 1181 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,1,0,0,0,0|2,0,0]=4 1182 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|2,0,0]=4 1183 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|2,0,0]=4 1184 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|1,0,1]=4 1185 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,1]=4 1186 B8R0.11 CSCSC(C=O)C=O 62a_100000736813_100011218213 [1,1,0,0,0,0|1,0,1]=4 1187 B8R0.11 CSCSC(C=O)C=O 62a_100011218213_100000736813 [1,1,0,0,0,0|1,0,1]=4 1188 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|2,0,0]=4 1189 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|2,0,0]=4 1190 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|2,0,0]=4 1191 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,1]=4 1192 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,1]=4 1193 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,1]=4 1194 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1195 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|2,0,0]=4 1196 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1197 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|2,0,0]=4 1198 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,1]=4 1199 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|1,0,1]=4 1200 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,1]=4 1201 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [1,1,0,0,0,0|2,0,0]=4 1202 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [1,1,0,0,0,0|2,0,0]=4 1203 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,1]=4 1204 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,1]=4 1205 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|1,0,1]=4 1206 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|1,0,1]=4 1207 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [1,1,0,0,0,0|2,0,0]=4 1208 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [1,1,0,0,0,0|2,0,0]=4 1209 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|1,0,1]=4 1210 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|1,0,1]=4 1211 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,1,0,0,0,0|2,0,0]=4 1212 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,1,0,0,0,0|2,0,0]=4 1213 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|1,0,1]=4 1214 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|1,0,1]=4 1215 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|2,0,0]=4 1216 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|2,0,0]=4 1217 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,1]=4 1218 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|2,0,0]=4 1219 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|2,0,0]=4 1220 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [1,1,0,0,0,0|2,0,0]=4 1221 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [1,1,0,0,0,0|2,0,0]=4 1222 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,1]=4 1223 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,1]=4 1224 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|1,0,1]=4 1225 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|1,0,1]=4 1226 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 1227 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 1228 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 1229 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 1230 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 1231 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 1232 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,1,0,0,0,0|2,0,0]=4 1233 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,1,0,0,0,0|2,0,0]=4 1234 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|2,0,0]=4 1235 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1236 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,0,0,0,0|2,0,0]=4 1237 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,0,0,0,0|2,0,0]=4 1238 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|1,0,1]=4 1239 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|0,1,1]=4 1240 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,1]=4 1241 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,1]=4 1242 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|1,0,1]=4 1243 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|1,0,1]=4 1244 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|1,0,1]=4 1245 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|1,0,1]=4 1246 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|1,0,1]=4 1247 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|1,0,1]=4 1248 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|1,0,1]=4 1249 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|1,0,1]=4 1250 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,1,0,0,0,0|1,0,1]=4 1251 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,1,0,0,0,0|1,0,1]=4 1252 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|0,0,1]=3 1253 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|1,0,1]=4 1254 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,1,0,0,0,0|1,0,1]=4 1255 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,1,0,0,0,0|1,0,1]=4 1256 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,1,0,0,0,0|1,0,1]=4 1257 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,1,0,0,0,0|1,0,1]=4 1258 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,1,0,0,0,0|0,0,2]=4 1259 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,1,0,0,0,0|1,0,1]=4 1260 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,1,0,0,0,0|1,0,1]=4 1261 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,1,0,0,0,0|0,0,2]=4 1262 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,1,0,0,0,0|0,0,2]=4 1263 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [1,1,0,0,0,0|2,0,0]=4 1264 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [1,1,0,0,0,0|1,0,1]=4 1265 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [1,1,0,0,0,0|2,0,0]=4 1266 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|1,0,1]=4 1267 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,1,0,0,0,0|1,0,1]=4 1268 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [1,1,0,0,0,0|2,0,0]=4 1269 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [1,1,0,0,0,0|2,0,0]=4 1270 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|1,0,1]=4 1271 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|1,0,1]=4 1272 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,1,0,0,0,0|1,0,1]=4 1273 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,1,0,0,0,0|1,0,1]=4 1274 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,1,0,0,0,0|2,0,0]=4 1275 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,1,0,0,0,0|2,0,0]=4 1276 B8R0.7 FCSCCC=C(F)F 62a_100015361967_200009816681 [1,1,0,0,0,0|2,0,0]=4 1277 B8R0.7 FCSCCC=C(F)F 62a_200009816681_100015361967 [1,1,0,0,0,0|2,0,0]=4 1278 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,1,0,0,0,0|1,0,1]=4 1279 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,1,0,0,0,0|1,0,1]=4 1280 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [1,1,0,0,0,0|2,0,0]=4 1281 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [1,1,0,0,0,0|2,0,0]=4 1282 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [1,1,0,0,0,0|2,0,0]=4 1283 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [1,1,0,0,0,0|2,0,0]=4 1284 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|1,0,1]=4 1285 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,1,0,0,0,0|1,0,1]=4 1286 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,1,0,0,0,0|1,0,1]=4 1287 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|1,0,1]=4 1288 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|1,0,1]=4 1289 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [1,1,0,0,0,0|2,0,0]=4 1290 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [1,1,0,0,0,0|0,0,2]=4 1291 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [1,1,0,0,0,0|1,0,1]=4 1292 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [1,1,0,0,0,0|1,0,1]=4 1293 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [1,1,0,0,0,0|2,0,0]=4 1294 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [1,1,0,0,0,0|1,0,1]=4 1295 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1296 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1297 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|1,0,1]=4 1298 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|1,0,1]=4 1299 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [1,1,0,0,0,0|2,0,0]=4 1300 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [1,1,0,0,0,0|2,0,0]=4 1301 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [1,1,0,0,0,0|2,0,0]=4 1302 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1303 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [1,1,0,0,0,0|1,0,1]=4 1304 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [1,1,0,0,0,0|0,0,2]=4 1305 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [1,1,0,0,0,0|1,0,1]=4 1306 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [1,1,0,0,0,0|1,0,1]=4 1307 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [1,1,0,0,0,0|2,0,0]=4 1308 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1309 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [1,1,0,0,0,0|0,0,2]=4 1310 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|1,0,1]=4 1311 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|1,0,1]=4 1312 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,1,0,0,0,1|2,0,0]=4 1313 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,1,0,0,0,1|2,0,0]=4 1314 B10R0.6 C=C(F)CC(=O)CCCSC 1458a_100000173376_100009893438 [0,1,0,0,0,1|2,0,0]=4 1315 B10R0.6 C=C(F)CC(=O)CCSCC 1458a_100000230768_100009893438 [0,1,0,0,0,1|2,0,0]=4 1316 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,1,0,0,0,1|1,0,0]=3 1317 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,1,0,0,0,1|1,0,0]=3 1318 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,0,0,0,1|2,0,0]=4 1319 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,1,0,0,0,1|2,0,0]=4 1320 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,1,0,0,0,1|2,0,0]=4 1321 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,1,0,0,0,1|1,0,1]=4 1322 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,1,0,0,0,1|2,0,0]=4 1323 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,1,0,0,0,1|2,0,0]=4 1324 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,1,0,0,0,1|2,0,0]=4 1325 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,1,0,0,0,1|2,0,0]=4 1326 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,1,0,0,0,1|2,0,0]=4 1327 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,1,0,0,0,1|1,0,1]=4 1328 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,1,0,0,0,1|2,0,0]=4 1329 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,1,0,0,0,1|1,0,1]=4 1330 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,1,0,0,0,1|2,0,0]=4 1331 B10R0.6 CCCSCC(=O)NC(=O)N 62a_100000210303_100000182717 [0,1,0,0,0,1|2,0,0]=4 1332 B10R0.6 CCNCCC(=O)NC(=O)N 2230a_100015525214_100000237605 [0,1,0,0,0,1|2,0,0]=4 1333 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,1,0,0,0,1|1,1,0]=4 1334 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,1,0,0,0,1|1,1,0]=4 1335 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,1,0,0,0,1|0,1,1]=4 1336 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,1,0,0,0,1|2,0,0]=4 1337 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,1,0,0,0,1|2,0,0]=4 1338 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,1,0,0,0,1|2,0,0]=4 1339 B10R0.6 CCSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757381 [0,1,0,0,0,1|2,0,0]=4 1340 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,1,0,0,0,1|1,0,0]=3 1341 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,1,0,0,0,1|1,0,0]=3 1342 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,1,0,0,0,1|0,0,1]=3 1343 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,1,0,0,0,1|1,0,1]=4 1344 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,1,0,0,0,1|1,0,1]=4 1345 B10R0.6 CCSCCC(=O)C[N+](=O)[O-] 1458a_100000230768_100000761209 [0,1,0,0,0,1|1,0,1]=4 1346 B10R0.6 CCSCCC(=O)NC(=O)N 62a_100000210202_100000237605 [0,1,0,0,0,1|1,0,0]=3 1347 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,1,0,0,0,1|2,0,0]=4 1348 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,1,0,0,0,1|2,0,0]=4 1349 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,1,0,0,0,1|1,1,0]=4 1350 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,1,0,0,0,1|1,1,0]=4 1351 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,1,0,0,0,1|0,1,1]=4 1352 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,1,0,0,0,1|1,1,0]=4 1353 B10R0.6 COCCNC(=O)CC(=O)N 240690a_100000209980_100134613110 [0,1,0,0,0,1|1,1,0]=4 1354 B10R0.6 COCCNC(=O)CC(=O)N 527a_100000209980_100134613110 [0,1,0,0,0,1|1,1,0]=4 1355 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,1,0,0,0,1|1,1,0]=4 1356 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,1,0,0,0,1|1,1,0]=4 1357 B10R0.6 COCSCC(=O)NC(=O)C 62a_100000766300_100000183797 [0,1,0,0,0,1|1,1,0]=4 1358 B10R0.6 COCSCC(=O)NC(=O)N 62a_100000766300_100000182717 [0,1,0,0,0,1|1,1,0]=4 1359 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,1,0,0,0,1|1,0,0]=3 1360 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,1,0,0,0,1|0,0,1]=3 1361 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,1,0,0,0,1|1,0,1]=4 1362 B10R0.6 CSCCCC(=O)C[N+](=O)[O-] 1458a_100000173376_100000761209 [0,1,0,0,0,1|1,0,1]=4 1363 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,1,0,0,0,1|2,0,0]=4 1364 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,1,0,0,0,1|2,0,0]=4 1365 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,1,0,0,0,1|2,0,0]=4 1366 B10R0.6 CSCCNC(=O)C=C(C)Cl 11a_100020590264_200042562850 [0,1,0,0,0,1|2,0,0]=4 1367 B10R0.6 CSCCNC(=O)C=C(C)Cl 1626a_100020590264_200042562850 [0,1,0,0,0,1|2,0,0]=4 1368 B10R0.6 CSCCNC(=O)C=C(C)Cl 240690a_100020590264_200042562850 [0,1,0,0,0,1|2,0,0]=4 1369 B10R0.6 CSCCNC(=O)C=C(C)I 11a_100020590264_100025716642 [0,1,0,0,0,1|2,0,0]=4 1370 B10R0.6 CSCCNC(=O)C=C(C)I 1626a_100020590264_100025716642 [0,1,0,0,0,1|2,0,0]=4 1371 B10R0.6 CSCCNC(=O)C=C(Cl)Cl 1626a_100020590264_100000137448 [0,1,0,0,0,1|2,0,0]=4 1372 B10R0.6 CSCCNC(=O)C=C(Cl)Cl 240690a_100020590264_100000137448 [0,1,0,0,0,1|2,0,0]=4 1373 B10R0.6 CSCCNC(=O)CC(=O)N 240690a_100020590264_100134613110 [0,1,0,0,0,1|1,0,0]=3 1374 B10R0.6 CSCCNC(=O)CC(=O)N 527a_100020590264_100134613110 [0,1,0,0,0,1|1,0,0]=3 1375 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,1,0,0,0,1|1,0,1]=4 1376 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,1,0,0,0,1|1,0,0]=3 1377 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,1,0,0,0,1|1,0,0]=3 1378 B10R0.6 CSCCOC(=O)NC(=O)N 62a_200000210301_100000054987 [0,1,0,0,0,1|1,0,0]=3 1379 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,1,0,0,0,1|0,0,2]=4 1380 B10R0.6 CSCSCC(=O)NC(=O)C 62a_100011218213_100000183797 [0,1,0,0,0,1|1,0,0]=3 1381 B10R0.6 CSCSCC(=O)NC(=O)N 62a_100011218213_100000182717 [0,1,0,0,0,1|1,0,0]=3 1382 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,1,0,0,0,1|2,0,0]=4 1383 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,1,0,0,0,1|2,0,0]=4 1384 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,1,0,0,0,1|2,0,0]=4 1385 B10R0.6 NC(=O)NC(=O)CCSCF 62a_100015361967_100000237605 [0,1,0,0,0,1|1,0,0]=3 1386 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,1,0,0,0,1|1,0,1]=4 1387 B10R0.6 [13CH3]SCCOC(=O)NC(=O)N 62a_200025704644_100000054987 [0,1,0,0,0,1|1,0,0]=3 1388 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [0,1,0,0,0,1|1,0,1]=4 1389 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [0,1,0,0,0,1|1,0,1]=4 1390 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [0,1,0,0,0,1|1,0,1]=4 1391 B10R0.18 C=C(C#N)CC(=O)CCSC 1458a_100000174002_100000694840 [0,1,0,0,0,1|2,0,0]=4 1392 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,1,0,0,0,1|1,0,1]=4 1393 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,1,0,0,0,1|1,0,1]=4 1394 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [0,1,0,0,0,1|1,0,1]=4 1395 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [0,1,0,0,0,1|1,0,1]=4 1396 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [0,1,0,0,0,1|1,0,1]=4 1397 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,1,0,0,0,1|2,0,0]=4 1398 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,1,0,0,0,1|1,1,0]=4 1399 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,1,0,0,0,1|1,0,0]=3 1400 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,1,0,0,0,1|1,0,1]=4 1401 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,1,0,0,0,1|1,0,1]=4 1402 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,1,0,0,0,1|2,0,0]=4 1403 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,1,0,0,0,1|2,0,0]=4 1404 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,1,0,0,0,1|1,0,0]=3 1405 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,1,0,0,0,1|1,0,0]=3 1406 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,1,0,0,0,1|2,0,0]=4 1407 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,1,0,0,0,1|2,0,0]=4 1408 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,1,0,0,0,1|2,0,0]=4 1409 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,1,0,0,0,1|2,0,0]=4 1410 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,1,0,0,0,1|2,0,0]=4 1411 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,1,0,0,0,1|2,0,0]=4 1412 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,1,0,0,0,1|2,0,0]=4 1413 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,1,0,0,0,1|2,0,0]=4 1414 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,1,0,0,0,1|1,1,0]=4 1415 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,1,0,0,0,1|1,0,0]=3 1416 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [0,1,0,0,0,1|2,0,0]=4 1417 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [0,1,0,0,0,1|2,0,0]=4 1418 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,1,0,0,0,1|2,0,0]=4 1419 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,1,0,0,0,1|2,0,0]=4 1420 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,1,0,0,0,1|0,0,0]=2 1421 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,1,0,0,0,1|0,0,0]=2 1422 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,1,0,0,0,1|2,0,0]=4 1423 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,1,0,0,0,1|2,0,0]=4 1424 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,1,0,0,0,1|2,0,0]=4 1425 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,1,0,0,0,1|0,1,0]=3 1426 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,1,0,0,0,1|0,1,0]=3 1427 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,1,0,0,0,1|1,0,1]=4 1428 B10R0.18 CSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000174002 [0,1,0,0,0,1|1,0,1]=4 1429 B10R0.18 CSCCC(=O)N[C@H](C)CO 527a_100000737577_100000174002 [0,1,0,0,0,1|1,0,1]=4 1430 B10R0.28 CSCCC(=O)CC(C)(C)O 1458a_100000693243_100000751147 [0,1,0,0,0,1|1,0,1]=4 1431 B10R0.28 CSCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000751147 [0,1,0,0,0,1|1,0,1]=4 1432 B10R0.28 CSCCC(=O)CS(=O)(=O)N 1458a_100000174002_100000741382 [0,1,0,0,0,1|1,0,1]=4 1433 B10R0.28 CSCCC(=O)CS(=O)(=O)[O-] 1458a_100000174002_100009817235 [0,1,0,0,0,1|1,0,1]=4 1434 B10R0.28 CSCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000174002 [0,1,0,0,0,1|1,0,1]=4 1435 B10R0.32 C=C(C)CC(=O)C(C)CSC 1458a_100000753918_100000748629 [0,1,0,0,0,1|2,0,0]=4 1436 B10R0.32 C=C(F)CC(=O)C(C)CSC 1458a_100000753918_100009893438 [0,1,0,0,0,1|2,0,0]=4 1437 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [0,1,0,0,0,1|2,0,0]=4 1438 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [0,1,0,0,0,1|2,0,0]=4 1439 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [0,1,0,0,0,1|1,0,1]=4 1440 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [0,1,0,0,0,1|2,0,0]=4 1441 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [0,1,0,0,0,1|1,0,1]=4 1442 B10R0.32 COCC(C)C(=O)CC(=O)N 1458a_100000751857_100000187820 [0,1,0,0,0,1|1,1,0]=4 1443 B10R0.32 COCC(C)C(=O)CC(=O)N 1458a_100134613110_100000765312 [0,1,0,0,0,1|1,1,0]=4 1444 B10R0.32 COCC(C)C(=O)CC(=O)[O-] 1458a_100000751857_100020667443 [0,1,0,0,0,1|0,1,1]=4 1445 B10R0.32 CSCC(C)C(=O)CC(=O)N 1458a_100000753918_100000187820 [0,1,0,0,0,1|1,0,0]=3 1446 B10R0.32 CSCC(C)C(=O)CC(=O)[O-] 1458a_100000753918_100020667443 [0,1,0,0,0,1|0,0,1]=3 1447 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [0,1,0,0,0,1|1,0,1]=4 1448 B10R0.32 CSCC(C)C(=O)C[N+](=O)[O-] 1458a_100000753918_100000761209 [0,1,0,0,0,1|1,0,1]=4 1449 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,1,0,0,0,1|2,0,0]=4 1450 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,1,0,0,0,1|2,0,0]=4 1451 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,1,0,0,0,1|1,0,1]=4 1452 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,1,0,0,0,1|2,0,0]=4 1453 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,1,0,0,0,1|2,0,0]=4 1454 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,1,0,0,0,1|1,0,1]=4 1455 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,1,0,0,0,1|2,0,0]=4 1456 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,1,0,0,0,1|2,0,0]=4 1457 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,1,0,0,0,1|2,0,0]=4 1458 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,1,0,0,0,1|2,0,0]=4 1459 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,1,0,0,0,1|1,0,1]=4 1460 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,1,0,0,0,1|1,1,0]=4 1461 B10R0.81 COCCC(=O)C(C)C(=O)N 1458a_100000749529_100000702099 [0,1,0,0,0,1|1,1,0]=4 1462 B10R0.81 COCCC(=O)C(F)C(=O)N 1458a_100000749529_100009813875 [0,1,0,0,0,1|1,1,0]=4 1463 B10R0.81 COCCC(=O)C(F)C(=O)[O-] 1458a_100000749529_100020610796 [0,1,0,0,0,1|0,1,1]=4 1464 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,1,0,0,0,1|1,0,0]=3 1465 B10R0.81 CSCCC(=O)C(C)C(=O)N 1458a_100000174002_100000702099 [0,1,0,0,0,1|1,0,0]=3 1466 B10R0.81 CSCCC(=O)C(F)C(=O)N 1458a_100000174002_100009813875 [0,1,0,0,0,1|1,0,0]=3 1467 B10R0.81 CSCCC(=O)C(F)C(=O)[O-] 1458a_100000174002_100020610796 [0,1,0,0,0,1|0,0,1]=3 1468 B10R0.81 CSCCN(C)C(C)C(=O)O 269956a_100000749554_100000212216 [0,1,0,0,0,1|2,0,0]=4 1469 B10R0.87 CCN(CCSC)CC(=O)O 269956a_100000746405_100000212216 [0,1,0,0,0,1|2,0,0]=4 1470 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_100134613110_100000730704 [0,1,0,0,0,1|2,0,0]=4 1471 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_200000688413_100000187820 [0,1,0,0,0,1|2,0,0]=4 1472 B10R0.96 C=C(C)CCC(=O)CC(=O)[O-] 1458a_200000688413_100020667443 [0,1,0,0,0,1|1,0,1]=4 1473 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,1,0,0,0,1|2,0,0]=4 1474 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,1,0,0,0,1|2,0,0]=4 1475 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,1,0,0,0,1|1,0,1]=4 1476 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,1,0,0,0,1|2,0,0]=4 1477 B10R0.96 CN(C)CCC(=O)NC(=O)N 2230a_100102631434_100000237605 [0,1,0,0,0,1|2,0,0]=4 1478 B10R0.96 CN(C)CCC(=O)NC(=O)N 269982a_100102631434_100000237605 [0,1,0,0,0,1|2,0,0]=4 1479 B10R0.96 C[S+](C)CCC(=O)CC(=O)N 1458a_100009452791_100000187820 [0,1,0,0,0,1|1,0,1]=4 1480 B10R0.96 C[S+](C)CCC(=O)CC(=O)[O-] 1458a_100009452791_100020667443 [0,1,0,0,0,1|0,0,2]=4 1481 B10R0.5 CCSCCC(=O)C(C)(C)O 1458a_100000242741_100000757381 [0,2,0,0,0,0|1,0,1]=4 1482 B10R0.5 CSCCNC(=O)C(C)(C)O 240690a_100020590264_100000242741 [0,2,0,0,0,0|1,0,1]=4 1483 B10R0.40 CCC(C)(O)C(=O)CCSC 1458a_100011219770_100000751147 [0,2,0,0,0,0|1,0,1]=4 1484 B10R0.40 COC(C)(C)C(=O)CCSC 1458a_100000753492_100000751147 [0,2,0,0,0,0|1,0,1]=4 1485 B10R0.40 CSCCC(=O)C(C)(C)CO 1458a_100000749806_100000751147 [0,2,0,0,0,0|1,0,1]=4 1486 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,2,0,0,0,0|2,0,0]=4 1487 B10R0.35 CCCN(C)C(=O)C(=O)OC 11a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 1488 B10R0.35 CCCN(C)C(=O)C(=O)OC 1626a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 1489 B10R0.35 CCCN(C)C(=O)C(=O)OC 240690a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 1490 B10R0.35 CCCN(C)C(=O)C(=O)OC 527a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 1491 B10R0.35 CCNC(C)C(=O)C(=O)OC 2230a_100015525214_100000692041 [0,2,0,0,0,0|2,0,0]=4 1492 B10R0.35 CCOC(C)C(=O)C(=O)OC 34a_100121572206_100000692041 [0,2,0,0,0,0|2,0,0]=4 1493 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000210202_100000692041 [0,2,0,0,0,0|2,0,0]=4 1494 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210202 [0,2,0,0,0,0|2,0,0]=4 1495 B10R0.35 CNC(=O)C(=O)C(C)COC 1458a_100011218921_100000765312 [0,2,0,0,0,0|1,1,0]=4 1496 B10R0.57 C=C(C)CCC(=O)C(=O)NC 1458a_100011218921_100000730704 [0,2,0,0,0,0|2,0,0]=4 1497 B10R0.57 C=C(C)CNC(=O)C(=O)OC 11a_100000765925_100000024059 [0,2,0,0,0,0|2,0,0]=4 1498 B10R0.57 C=C(C)CNC(=O)C(=O)OC 1626a_100000765925_100000024059 [0,2,0,0,0,0|2,0,0]=4 1499 B10R0.57 C=C(C)CNC(=O)C(=O)OC 240690a_100000765925_100000024059 [0,2,0,0,0,0|2,0,0]=4 1500 B10R0.57 C=C(C)CNC(=O)C(=O)OC 527a_100000765925_100000024059 [0,2,0,0,0,0|2,0,0]=4 1501 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|2,0,0]=4 1502 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|2,0,0]=4 1503 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,2,0,0,0,0|2,0,0]=4 1504 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,2,0,0,0,0|2,0,0]=4 1505 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,2,0,0,0,0|2,0,0]=4 1506 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,2,0,0,0,0|2,0,0]=4 1507 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 1508 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 1509 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 1510 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 1511 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 1512 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 1513 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 1514 B10R0.82 CCC(C)CNC(=O)C(=O)N 240690a_100020588543_100011215815 [0,2,0,0,0,0|2,0,0]=4 1515 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|2,0,0]=4 1516 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|2,0,0]=4 1517 B10R0.82 CCC(O)CNC(=O)C(=O)N 240690a_100011218483_100011215815 [0,2,0,0,0,0|2,0,0]=4 1518 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100009879195_100011261029 [0,2,0,0,0,0|1,1,0]=4 1519 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100011261029_100009879195 [0,2,0,0,0,0|1,1,0]=4 1520 B10R0.82 CO[C@H](C)CNC(=O)C(=O)N 240690a_100020591295_100011215815 [0,2,0,0,0,0|1,1,0]=4 1521 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,2,0,0,0,0|2,0,0]=4 1522 B10R0.19 CCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210211 [0,2,0,0,0,0|2,0,0]=4 1523 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|2,0,0]=4 1524 B10R0.19 CCCNC(=O)C(=O)CCO 1458a_200011297150_100000211926 [0,2,0,0,0,0|2,0,0]=4 1525 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|2,0,0]=4 1526 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|2,0,0]=4 1527 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|2,0,0]=4 1528 B10R0.19 CCC[C@H](O)C(=O)CCSC 1458a_100009822183_100000751147 [0,2,0,0,0,0|1,0,1]=4 1529 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,2,0,0,0,0|1,1,0]=4 1530 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,2,0,0,0,0|1,0,0]=3 1531 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|2,0,0]=4 1532 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|2,0,0]=4 1533 B10R0.19 CCOC(C)C(=O)CCSC 1458a_100000739345_100000751147 [0,2,0,0,0,0|1,0,1]=4 1534 B10R0.19 CO/N=C(\C)/C(=O)CCSC 1458a_100160996864_100000751147 [0,2,0,0,0,0|1,0,0]=3 1535 B10R0.19 COCC(=O)N(C)CCSC 11a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 1536 B10R0.19 COCC(=O)N(C)CCSC 1626a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 1537 B10R0.19 COCC(=O)N(C)CCSC 240690a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 1538 B10R0.19 COCC(=O)N(C)CCSC 527a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 1539 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000174002_100000765312 [0,2,0,0,0,0|1,0,1]=4 1540 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000751857_100000751147 [0,2,0,0,0,0|1,0,1]=4 1541 B10R0.19 COCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000233755 [0,2,0,0,0,0|1,1,0]=4 1542 B10R0.19 CSCCC(=O)C(C)CCO 1458a_100000174002_100009893172 [0,2,0,0,0,0|1,0,1]=4 1543 B10R0.19 CSCCC(=O)N(C)CCO 240690a_100000210263_100000174002 [0,2,0,0,0,0|2,0,0]=4 1544 B10R0.19 CSCCC(=O)N(C)CCO 527a_100000210263_100000174002 [0,2,0,0,0,0|2,0,0]=4 1545 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|0,0,2]=4 1546 B10R0.19 CSCCN(C)C(=O)CCO 240690a_100000686725_100011216618 [0,2,0,0,0,0|2,0,0]=4 1547 B10R0.21 CCC(OC)C(=O)CCSC 1458a_100000747056_100000751147 [0,2,0,0,0,0|1,0,1]=4 1548 B10R0.21 COC(OC)C(=O)CCSC 1458a_100000046285_100000751147 [0,2,0,0,0,0|0,0,2]=4 1549 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|2,0,0]=4 1550 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 1551 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 1552 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 1553 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 1554 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|2,0,0]=4 1555 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|2,0,0]=4 1556 B10R0.83 C#CCCNC(=O)C(=O)OC 11a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 1557 B10R0.83 C#CCCNC(=O)C(=O)OC 1626a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 1558 B10R0.83 C#CCCNC(=O)C(=O)OC 240690a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 1559 B10R0.83 C#CCCNC(=O)C(=O)OC 527a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 1560 B10R0.83 C#CCNCC(=O)C(=O)OC 34a_100000212058_100011610305 [0,2,0,0,0,0|1,0,1]=4 1561 B10R0.83 C#CCOCC(=O)C(=O)OC 34a_100000210247_100011610305 [0,2,0,0,0,0|1,0,1]=4 1562 B10R0.83 C#CCSCC(=O)C(=O)OC 62a_100000038162_100011610305 [0,2,0,0,0,0|1,0,1]=4 1563 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [0,2,0,0,0,0|2,0,0]=4 1564 B10R0.83 C/C=C(\C)/C(=O)NCCSC 11a_100020590264_100020587367 [0,2,0,0,0,0|2,0,0]=4 1565 B10R0.83 C/C=C(\C)/C(=O)NCCSC 1626a_100020590264_100020587367 [0,2,0,0,0,0|2,0,0]=4 1566 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|2,0,0]=4 1567 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|2,0,0]=4 1568 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|2,0,0]=4 1569 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100000766300_100009813391 [0,2,0,0,0,0|1,1,0]=4 1570 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100009813391_100000766300 [0,2,0,0,0,0|1,1,0]=4 1571 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100009813391_100011218213 [0,2,0,0,0,0|1,0,0]=3 1572 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100011218213_100009813391 [0,2,0,0,0,0|1,0,0]=3 1573 B10R0.83 C=CCCNC(=O)C(=O)OC 11a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 1574 B10R0.83 C=CCCNC(=O)C(=O)OC 1626a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 1575 B10R0.83 C=CCCNC(=O)C(=O)OC 240690a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 1576 B10R0.83 C=CCCNC(=O)C(=O)OC 527a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 1577 B10R0.83 C=CCOCC(=O)C(=O)OC 34a_200000210373_100011610305 [0,2,0,0,0,0|1,0,1]=4 1578 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100000210623_100011610305 [0,2,0,0,0,0|1,0,1]=4 1579 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100011610305_100000210623 [0,2,0,0,0,0|1,0,1]=4 1580 B10R0.83 CC#CCNC(=O)C(=O)OC 11a_100000685387_100000024059 [0,2,0,0,0,0|1,0,1]=4 1581 B10R0.83 CC#CCNC(=O)C(=O)OC 1626a_100000685387_100000024059 [0,2,0,0,0,0|1,0,1]=4 1582 B10R0.83 CC#CCNC(=O)C(=O)OC 527a_100000685387_100000024059 [0,2,0,0,0,0|1,0,1]=4 1583 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,2,0,0,0,0|1,0,1]=4 1584 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|2,0,0]=4 1585 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|2,0,0]=4 1586 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|2,0,0]=4 1587 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|2,0,0]=4 1588 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 1589 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 1590 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 1591 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 1592 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,0]=3 1593 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,0]=3 1594 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,0]=3 1595 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|1,1,0]=4 1596 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,0]=3 1597 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|1,0,1]=4 1598 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|1,0,1]=4 1599 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|0,0,2]=4 1600 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|1,0,1]=4 1601 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|1,0,1]=4 1602 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|2,0,0]=4 1603 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|2,0,0]=4 1604 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,1,0]=4 1605 B10R0.83 CNC(=O)C(=O)NCCOC 1626a_100000209980_100011218921 [0,2,0,0,0,0|1,1,0]=4 1606 B10R0.83 CNC(=O)C(=O)NCCOC 240690a_100000209980_100011218921 [0,2,0,0,0,0|1,1,0]=4 1607 B10R0.83 CNC(=O)C(=O)NCCOC 527a_100000209980_100011218921 [0,2,0,0,0,0|1,1,0]=4 1608 B10R0.83 CNC(=O)C(=O)NCCSC 1626a_100020590264_100011218921 [0,2,0,0,0,0|1,0,0]=3 1609 B10R0.83 CNC(=O)C(=O)NCCSC 240690a_100020590264_100011218921 [0,2,0,0,0,0|1,0,0]=3 1610 B10R0.83 CNC(=O)C(=O)NCCSC 527a_100020590264_100011218921 [0,2,0,0,0,0|1,0,0]=3 1611 B10R0.83 COC(=O)C(=O)CNCCF 34a_100000724931_100011610305 [0,2,0,0,0,0|2,0,0]=4 1612 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [0,2,0,0,0,0|2,0,0]=4 1613 B10R0.83 COC(=O)C(=O)COCCBr 34a_100000211926_100011610305 [0,2,0,0,0,0|2,0,0]=4 1614 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [0,2,0,0,0,0|2,0,0]=4 1615 B10R0.83 COC(=O)C(=O)CSCC#N 62a_100011215382_100011610305 [0,2,0,0,0,0|2,0,0]=4 1616 B10R0.83 COC(=O)C(=O)CSCC#N 62a_100011610305_100011215382 [0,2,0,0,0,0|2,0,0]=4 1617 B10R0.83 COC(=O)C(=O)CSCC=O 62a_100011610305_200015260668 [0,2,0,0,0,0|2,0,0]=4 1618 B10R0.83 COC(=O)C(=O)CSCC=O 62a_200015260668_100011610305 [0,2,0,0,0,0|2,0,0]=4 1619 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011217306_100011610305 [0,2,0,0,0,0|2,0,0]=4 1620 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011610305_100011217306 [0,2,0,0,0,0|2,0,0]=4 1621 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [0,2,0,0,0,0|2,0,0]=4 1622 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [0,2,0,0,0,0|2,0,0]=4 1623 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [0,2,0,0,0,0|0,0,0]=2 1624 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [0,2,0,0,0,0|0,0,0]=2 1625 B10R0.83 COC(=O)C(=O)NCCC#N 11a_100000720768_100000024059 [0,2,0,0,0,0|2,0,0]=4 1626 B10R0.83 COC(=O)C(=O)NCCC#N 1626a_100000720768_100000024059 [0,2,0,0,0,0|2,0,0]=4 1627 B10R0.83 COC(=O)C(=O)NCCC#N 240690a_100000720768_100000024059 [0,2,0,0,0,0|2,0,0]=4 1628 B10R0.83 COC(=O)C(=O)NCCC#N 527a_100000720768_100000024059 [0,2,0,0,0,0|2,0,0]=4 1629 B10R0.83 COC(=O)C(=O)NCCCF 11a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 1630 B10R0.83 COC(=O)C(=O)NCCCF 1626a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 1631 B10R0.83 COC(=O)C(=O)NCCCF 240690a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 1632 B10R0.83 COC(=O)C(=O)NCCCF 527a_100015189416_100000024059 [0,2,0,0,0,0|2,0,0]=4 1633 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,2,0,0,0,0|2,0,0]=4 1634 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,2,0,0,0,0|2,0,0]=4 1635 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|0,0,0]=2 1636 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|0,0,0]=2 1637 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|0,0,0]=2 1638 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|0,0,0]=2 1639 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|1,0,1]=4 1640 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|1,0,1]=4 1641 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,2,0,0,0,0|1,0,1]=4 1642 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,2,0,0,0,0|1,0,1]=4 1643 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,2,0,0,0,0|1,0,1]=4 1644 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|1,0,1]=4 1645 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|1,0,1]=4 1646 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|1,0,1]=4 1647 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|1,0,1]=4 1648 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|1,0,1]=4 1649 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|1,0,1]=4 1650 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,2,0,0,0,0|1,0,1]=4 1651 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|1,0,1]=4 1652 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,2,0,0,0,0|1,0,1]=4 1653 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,2,0,0,0,0|1,0,1]=4 1654 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,2,0,0,0,0|1,0,1]=4 1655 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,2,0,0,0,0|1,0,1]=4 1656 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [0,2,0,0,0,0|0,1,0]=3 1657 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [0,2,0,0,0,0|0,1,0]=3 1658 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [0,2,0,0,0,0|0,1,0]=3 1659 B10R0.83 COCSCC(=O)C(=O)OC 62a_100000766300_100011610305 [0,2,0,0,0,0|0,1,0]=3 1660 B10R0.83 COCSCC(=O)C(=O)OC 62a_100011610305_100000766300 [0,2,0,0,0,0|0,1,0]=3 1661 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,2,0,0,0,0|2,0,0]=4 1662 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,2,0,0,0,0|2,0,0]=4 1663 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,2,0,0,0,0|2,0,0]=4 1664 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,2,0,0,0,0|2,0,0]=4 1665 B10R0.83 CON(C)C(=O)CNCSC 2230a_100015207273_100011218213 [0,2,0,0,0,0|2,0,0]=4 1666 B10R0.83 CON(C)C(=O)CSCSC 62a_100000764215_100011218213 [0,2,0,0,0,0|2,0,0]=4 1667 B10R0.83 CON(C)C(=O)CSCSC 62a_100011218213_100000764215 [0,2,0,0,0,0|2,0,0]=4 1668 B10R0.83 CSCCNC(=O)C(O)CO 240690a_100020590264_100011215603 [0,2,0,0,0,0|0,0,2]=4 1669 B10R0.85 COC(=O)C(C=O)SCSC 62a_100000046368_100011218213 [0,2,0,0,0,0|1,0,1]=4 1670 B10R0.85 COC(=O)C(C=O)SCSC 62a_100011218213_100000046368 [0,2,0,0,0,0|1,0,1]=4 1671 B10R0.86 C=C[C@H](NCCSC)C(=O)O 269956a_100016992060_100000212216 [0,2,0,0,0,0|1,0,1]=4 1672 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [0,2,0,0,0,0|1,0,1]=4 1673 B10R0.86 CSCCNC(CO)C(=O)O 269956a_100000187304_100000212216 [0,2,0,0,0,0|0,0,2]=4 1674 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,2,0,0,0,0|1,0,1]=4 1675 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,2,0,0,0,0|1,0,1]=4 1676 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|2,0,0]=4 1677 B10R0.26 CCCC(C)NC(=O)C(=O)N 240690a_100000741246_100011215815 [0,2,0,0,0,0|2,0,0]=4 1678 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|2,0,0]=4 1679 B10R0.26 COCC(=O)CC(=O)C(=O)C 1458a_100000210968_100011261029 [0,2,0,0,0,0|1,1,0]=4 1680 B10R0.26 COC[C@@H](C)NC(=O)C(=O)N 240690a_100000764878_100011215815 [0,2,0,0,0,0|1,1,0]=4 1681 B10R0.26 CSCC(=O)CC(=O)C(=O)C 1458a_100000184570_100011261029 [0,2,0,0,0,0|1,0,0]=3 1682 B10R0.42 CSCNCC(C)(C)C(=O)O 269956a_100000693527_100011218213 [0,2,0,0,0,0|1,0,1]=4 1683 B10R0.42 CSCNCC(F)(F)C(=O)O 269956a_100000734215_100011218213 [0,2,0,0,0,0|1,0,1]=4 1684 B10R0.75 C/C=C/COCC(=O)C(=O)C 34a_100016270725_100011261029 [0,2,0,0,0,0|2,0,0]=4 1685 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100011261029_100102629194 [0,2,0,0,0,0|2,0,0]=4 1686 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100102629194_100011261029 [0,2,0,0,0,0|2,0,0]=4 1687 B10R0.75 C=C(Br)C(=O)NCCCSC 11a_100000749238_100009813364 [0,2,0,0,0,0|2,0,0]=4 1688 B10R0.75 C=C(Br)C(=O)NCCCSC 1626a_100000749238_100009813364 [0,2,0,0,0,0|2,0,0]=4 1689 B10R0.75 C=C(Br)C(=O)NCCSCC 11a_100000106463_100009813364 [0,2,0,0,0,0|2,0,0]=4 1690 B10R0.75 C=C(Br)C(=O)NCCSCC 1626a_100000106463_100009813364 [0,2,0,0,0,0|2,0,0]=4 1691 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|2,0,0]=4 1692 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|2,0,0]=4 1693 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 1694 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 1695 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|2,0,0]=4 1696 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|2,0,0]=4 1697 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100009816335_100015361967 [0,2,0,0,0,0|2,0,0]=4 1698 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100015361967_100009816335 [0,2,0,0,0,0|2,0,0]=4 1699 B10R0.75 C=C(Cl)C(=O)NCCCSC 11a_100000749238_100000039160 [0,2,0,0,0,0|2,0,0]=4 1700 B10R0.75 C=C(Cl)C(=O)NCCCSC 1626a_100000749238_100000039160 [0,2,0,0,0,0|2,0,0]=4 1701 B10R0.75 C=C(Cl)C(=O)NCCSCC 11a_100000106463_100000039160 [0,2,0,0,0,0|2,0,0]=4 1702 B10R0.75 C=C(Cl)C(=O)NCCSCC 1626a_100000106463_100000039160 [0,2,0,0,0,0|2,0,0]=4 1703 B10R0.75 C=C(F)C(=O)NCCCSC 11a_100000749238_100000036797 [0,2,0,0,0,0|2,0,0]=4 1704 B10R0.75 C=C(F)C(=O)NCCCSC 1626a_100000749238_100000036797 [0,2,0,0,0,0|2,0,0]=4 1705 B10R0.75 C=C(F)C(=O)NCCSCC 11a_100000106463_100000036797 [0,2,0,0,0,0|2,0,0]=4 1706 B10R0.75 C=C(F)C(=O)NCCSCC 1626a_100000106463_100000036797 [0,2,0,0,0,0|2,0,0]=4 1707 B10R0.75 CC#CCNCC(=O)C(=O)C 34a_100000685387_100011261029 [0,2,0,0,0,0|2,0,0]=4 1708 B10R0.75 CC#CCOCC(=O)C(=O)C 34a_100000761923_100011261029 [0,2,0,0,0,0|2,0,0]=4 1709 B10R0.75 CC#CCSCC(=O)C(=O)C 62a_100000748600_100011261029 [0,2,0,0,0,0|2,0,0]=4 1710 B10R0.75 CC#CCSCC(=O)C(=O)C 62a_100011261029_100000748600 [0,2,0,0,0,0|2,0,0]=4 1711 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,2,0,0,0,0|2,0,0]=4 1712 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,2,0,0,0,0|2,0,0]=4 1713 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,2,0,0,0,0|2,0,0]=4 1714 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,2,0,0,0,0|2,0,0]=4 1715 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|2,0,0]=4 1716 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,2,0,0,0,0|2,0,0]=4 1717 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,2,0,0,0,0|2,0,0]=4 1718 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,2,0,0,0,0|2,0,0]=4 1719 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,2,0,0,0,0|2,0,0]=4 1720 B10R0.75 CC(=O)C(=O)CSCSC#N 62a_100000211825_100011261029 [0,2,0,0,0,0|1,0,1]=4 1721 B10R0.75 CC(=O)C(=O)CSCSC#N 62a_100011261029_100000211825 [0,2,0,0,0,0|1,0,1]=4 1722 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100000070051_100011261029 [0,2,0,0,0,0|2,0,0]=4 1723 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100011261029_100000070051 [0,2,0,0,0,0|2,0,0]=4 1724 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|2,0,0]=4 1725 B10R0.75 CCCCNNC(=O)C(=O)N 22a_100025702795_100011215815 [0,2,0,0,0,0|2,0,0]=4 1726 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|2,0,0]=4 1727 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|2,0,0]=4 1728 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|2,0,0]=4 1729 B10R0.75 CCOCCNC(=O)C(=O)N 240690a_100011200944_100011215815 [0,2,0,0,0,0|1,1,0]=4 1730 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,2,0,0,0,0|1,1,0]=4 1731 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,2,0,0,0,0|1,1,0]=4 1732 B10R0.75 CCSCCNC(=O)C(=O)N 240690a_100000106463_100011215815 [0,2,0,0,0,0|1,0,0]=3 1733 B10R0.75 CCSCCNC(=O)C(O)O 240690a_100000106463_100000233687 [0,2,0,0,0,0|0,0,2]=4 1734 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|1,0,1]=4 1735 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|1,0,1]=4 1736 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|1,0,1]=4 1737 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,0,0,0,0|1,0,1]=4 1738 B10R0.75 COCCCNC(=O)C(=O)N 240690a_100150723488_100011215815 [0,2,0,0,0,0|1,1,0]=4 1739 B10R0.75 COCCNNC(=O)C(=O)N 22a_100000741390_100011215815 [0,2,0,0,0,0|1,1,0]=4 1740 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|1,1,0]=4 1741 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|1,1,0]=4 1742 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|1,1,0]=4 1743 B10R0.75 CSCCCNC(=O)C(=O)N 240690a_100000749238_100011215815 [0,2,0,0,0,0|1,0,0]=3 1744 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,2,0,0,0,0|0,0,2]=4 1745 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|1,0,1]=4 1746 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|1,0,1]=4 1747 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|1,0,1]=4 1748 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|1,0,1]=4 1749 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,0,0,0,0|1,0,1]=4 1750 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|1,0,0]=3 1751 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|1,0,0]=3 1752 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|1,0,0]=3 1753 B10R0.75 NC(=O)C(=O)NCCCCO 240690a_100000750430_100011215815 [0,2,0,0,0,0|2,0,0]=4 1754 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,2,0,0,0,0|2,0,0]=4 1755 B10R0.98 C=C(C)COCC(=O)C(=O)C 34a_100000210245_100011261029 [0,2,0,0,0,0|2,0,0]=4 1756 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100000748629_100011261029 [0,2,0,0,0,0|2,0,0]=4 1757 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100011261029_100000211660 [0,2,0,0,0,0|2,0,0]=4 1758 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,2,0,0,0,0|2,0,0]=4 1759 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|2,0,0]=4 1760 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,2,0,0,0,0|2,0,0]=4 1761 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,2,0,0,0,0|2,0,0]=4 1762 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,2,0,0,0,0|2,0,0]=4 1763 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,2,0,0,0,0|2,0,0]=4 1764 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,2,0,0,0,0|2,0,0]=4 1765 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,2,0,0,0,0|2,0,0]=4 1766 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,2,0,0,0,0|2,0,0]=4 1767 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,2,0,0,0,0|2,0,0]=4 1768 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,2,0,0,0,0|2,0,0]=4 1769 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,2,0,0,0,0|2,0,0]=4 1770 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,2,0,0,0,0|2,0,0]=4 1771 B10R0.98 CC(=O)COCC(=O)C(=O)C 34a_100000211253_100011261029 [0,2,0,0,0,0|2,0,0]=4 1772 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,2,0,0,0,0|2,0,0]=4 1773 B10R0.98 CC(C)SCCC(=O)C(O)O 1458a_100000233687_100000730970 [0,2,0,0,0,0|0,0,2]=4 1774 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,2,0,0,0,0|1,0,1]=4 1775 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,2,0,0,0,0|1,0,1]=4 1776 B10R0.98 CC(O)CCNC(=O)C(=O)N 240690a_200000755665_100011215815 [0,2,0,0,0,0|2,0,0]=4 1777 B10R0.98 CN(C)CCNC(=O)C(=O)N 240690a_100000210585_100011215815 [0,2,0,0,0,0|2,0,0]=4 1778 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|2,0,0]=4 1779 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [1,0,0,1,0,0|1,1,0]=4 1780 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|1,0,1]=4 1781 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [1,0,0,1,0,0|0,1,1]=4 1782 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [1,0,0,1,0,0|1,0,1]=4 1783 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|2,0,0]=4 1784 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [1,0,0,1,0,0|1,1,0]=4 1785 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [1,0,0,1,0,0|1,0,0]=3 1786 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [1,0,0,1,0,0|1,1,0]=4 1787 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,0,1]=4 1788 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|1,0,1]=4 1789 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|0,1,1]=4 1790 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|0,0,1]=3 1791 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|0,1,1]=4 1792 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|1,0,1]=4 1793 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|1,0,1]=4 1794 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|1,0,1]=4 1795 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|1,0,1]=4 1796 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 1797 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 1798 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,1,0,0|2,0,0]=4 1799 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,1]=4 1800 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,1]=4 1801 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 1802 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 1803 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 1804 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|2,0,0]=4 1805 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,0,1]=4 1806 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,0,0,1,0,1|2,0,0]=4 1807 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,0,0,1,0,1|1,1,0]=4 1808 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,0,0,1,0,1|2,0,0]=4 1809 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,0,0,1,0,1|2,0,0]=4 1810 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,0,0,1,0,1|2,0,0]=4 1811 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,0,0,1,0,1|1,0,1]=4 1812 B10R1.130 CSCc1oc(=O)oc1C 62a_200000210301_100000068490 [0,0,0,1,0,1|1,0,1]=4 1813 B10R1.130 Cc1oc(=O)oc1CS[13CH3] 62a_200025704644_100000068490 [0,0,0,1,0,1|1,0,1]=4 1814 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [0,0,0,1,0,1|1,0,1]=4 1815 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [0,0,0,1,0,1|1,0,1]=4 1816 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,0,0,1,0,1|2,0,0]=4 1817 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [0,0,0,1,0,1|2,0,0]=4 1818 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [0,0,0,1,0,1|2,0,0]=4 1819 B10R1.266 NC(=O)CC(=O)C1COC1 1458a_100000758290_100000187820 [0,0,0,1,0,1|1,1,0]=4 1820 B10R1.266 NC(=O)CC(=O)C1COC1 1458a_100134613110_100000687716 [0,0,0,1,0,1|1,1,0]=4 1821 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [0,0,0,1,0,1|1,0,1]=4 1822 B10R1.266 O=C([O-])CC(=O)C1COC1 1458a_100000758290_100020667443 [0,0,0,1,0,1|0,1,1]=4 1823 B10R1.268 CC(=CC(=O)CC1CS1)C 1458a_100000211388_100000031435 [0,0,0,1,0,1|2,0,0]=4 1824 B10R1.268 CC(=CC(=O)CC1CS1)Cl 1458a_200042562850_100000031435 [0,0,0,1,0,1|2,0,0]=4 1825 B10R1.268 CC(=CC(=O)CC1CS1)I 1458a_100025716642_100000031435 [0,0,0,1,0,1|2,0,0]=4 1826 B10R1.268 CN(CC(=O)O)CC1CS1 269956a_100000746989_100000031435 [0,0,0,1,0,1|2,0,0]=4 1827 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [0,0,0,1,0,1|1,0,1]=4 1828 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,0,0,1,0,1|2,0,0]=4 1829 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,0,0,1,0,1|2,0,0]=4 1830 B10R1.268 NC(=O)CC(=O)CC1CO1 1458a_100134613110_100011216344 [0,0,0,1,0,1|1,1,0]=4 1831 B10R1.268 NC(=O)CC(=O)CC1CS1 1458a_100134613110_100000031435 [0,0,0,1,0,1|1,0,0]=3 1832 B10R1.268 NC(=O)CC(=O)C[C@@H]1CO1 1458a_100134613110_100000745022 [0,0,0,1,0,1|1,1,0]=4 1833 B10R1.268 O=C(C=C(Cl)Cl)CC1CS1 1458a_100000137448_100000031435 [0,0,0,1,0,1|2,0,0]=4 1834 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,0,0,1,0,1|1,0,1]=4 1835 B10R1.179 CSCCC(=O)C1(CC1)O 1458a_100000241761_100000751147 [0,1,0,1,0,0|1,0,1]=4 1836 B10R1.372 CC(C)(O)C(=O)CC1CS1 1458a_100000242741_100000031435 [0,1,0,1,0,0|1,0,1]=4 1837 B10R1.23 C=C(Br)C(=O)N1CCSC1 11a_100011215254_100009813364 [0,1,0,1,0,0|2,0,0]=4 1838 B10R1.23 C=C(C)C(=O)N1CCSC1 11a_100011215254_100000185857 [0,1,0,1,0,0|2,0,0]=4 1839 B10R1.23 C=C(Cl)C(=O)N1CCSC1 11a_100011215254_100000039160 [0,1,0,1,0,0|2,0,0]=4 1840 B10R1.23 C=C(F)C(=O)N1CCSC1 11a_100011215254_100000036797 [0,1,0,1,0,0|2,0,0]=4 1841 B10R1.23 C[C@@H](O)C(=O)N1CCSC1 240690a_100011215254_100000717761 [0,1,0,1,0,0|1,0,1]=4 1842 B10R1.23 C[C@H](O)C(=O)N1CCSC1 240690a_100011215254_217856618621 [0,1,0,1,0,0|1,0,1]=4 1843 B10R1.23 NC(=O)C(=O)N1CCCC1 240690a_100000188435_100011215815 [0,1,0,1,0,0|2,0,0]=4 1844 B10R1.23 NC(=O)C(=O)N1CCSC1 240690a_100011215254_100011215815 [0,1,0,1,0,0|1,0,0]=3 1845 B10R1.23 O=C(C(O)O)N1CCSC1 240690a_100011215254_100000233687 [0,1,0,1,0,0|0,0,2]=4 1846 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|2,0,0]=4 1847 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|2,0,0]=4 1848 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,1,0,1,0,0|1,0,1]=4 1849 B10R1.205 NC(=O)C(=O)NCC1CC1 240690a_100000735609_100011215815 [0,1,0,1,0,0|2,0,0]=4 1850 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 1851 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 1852 B10R1.169 COC(=O)C1CC(C1)SC 62a_100009897219_200000210301 [0,1,0,1,0,0|1,0,1]=4 1853 B10R1.169 COC(=O)C1CC(C1)SC 62a_200000210301_100009897219 [0,1,0,1,0,0|1,0,1]=4 1854 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_100009897219_200025704644 [0,1,0,1,0,0|1,0,1]=4 1855 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_200025704644_100009897219 [0,1,0,1,0,0|1,0,1]=4 1856 B10R1.169 CSC1CN(C1)C(=O)CO 240690a_100016990038_100000210174 [0,1,0,1,0,0|2,0,0]=4 1857 B10R1.169 CSC1CN(C1)C(=O)CO 527a_100016990038_100000210174 [0,1,0,1,0,0|2,0,0]=4 1858 B10R1.178 CSCCC(=O)C1CCO1 1458a_100000089072_100000751147 [0,1,0,1,0,0|1,0,1]=4 1859 B10R1.178 CSCCC(=O)C1COC1 1458a_100000174002_100000687716 [0,1,0,1,0,0|1,0,1]=4 1860 B10R1.178 CSCCC(=O)C1COC1 1458a_100000758290_100000751147 [0,1,0,1,0,0|1,0,1]=4 1861 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|2,0,0]=4 1862 B10R1.182 CNC(=O)C(=O)C1COC1 1458a_100011218921_100000687716 [0,1,0,1,0,0|1,1,0]=4 1863 B10R1.182 COC(=O)C(=O)N1CCC1 11a_100000754969_100000024059 [0,1,0,1,0,0|2,0,0]=4 1864 B10R1.182 COC(=O)C(=O)N1CCC1 240690a_100000754969_100000024059 [0,1,0,1,0,0|2,0,0]=4 1865 B10R1.182 COC(=O)C(=O)N1CCC1 527a_100000754969_100000024059 [0,1,0,1,0,0|2,0,0]=4 1866 B10R1.184 C/C=C(\C)/C(=O)CC1CS1 1458a_100020587367_100000031435 [0,1,0,1,0,0|2,0,0]=4 1867 B10R1.184 CCC(O)C(=O)CC1CS1 1458a_100011196387_100000031435 [0,1,0,1,0,0|1,0,1]=4 1868 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|2,0,0]=4 1869 B10R1.184 CNC(=O)C(=O)CC1CO1 1458a_100011218921_100011216344 [0,1,0,1,0,0|1,1,0]=4 1870 B10R1.184 CNC(=O)C(=O)CC1CS1 1458a_100011218921_100000031435 [0,1,0,1,0,0|1,0,0]=3 1871 B10R1.184 CNC(=O)C(=O)C[C@@H]1CO1 1458a_100011218921_100000745022 [0,1,0,1,0,0|1,1,0]=4 1872 B10R1.184 COC(=O)C(=O)NC1CC1 1626a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 1873 B10R1.184 COC(=O)C(=O)NC1CC1 240690a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 1874 B10R1.184 COC(=O)C(=O)NC1CC1 527a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 1875 B10R1.184 COC(C)C(=O)CC1CS1 1458a_100000743197_100000031435 [0,1,0,1,0,0|1,0,1]=4 1876 B10R1.184 O=C(CC1CS1)C(O)CO 1458a_100011215603_100000031435 [0,1,0,1,0,0|0,0,2]=4 1877 B10R1.116 CC1CCN1C(=O)C(=O)N 240690a_100000755817_100011215815 [0,1,0,1,0,0|2,0,0]=4 1878 B10R1.204 C=C(Br)C(=O)NC1CSC1 11a_100016994217_100009813364 [0,1,0,1,0,0|2,0,0]=4 1879 B10R1.204 C=C(Br)C(=O)NC1CSC1 1626a_100016994217_100009813364 [0,1,0,1,0,0|2,0,0]=4 1880 B10R1.204 C=C(C)C(=O)NC1CSC1 11a_100016994217_100000185857 [0,1,0,1,0,0|2,0,0]=4 1881 B10R1.204 C=C(C)C(=O)NC1CSC1 1626a_100016994217_100000185857 [0,1,0,1,0,0|2,0,0]=4 1882 B10R1.204 C=C(Cl)C(=O)NC1CSC1 11a_100016994217_100000039160 [0,1,0,1,0,0|2,0,0]=4 1883 B10R1.204 C=C(Cl)C(=O)NC1CSC1 1626a_100016994217_100000039160 [0,1,0,1,0,0|2,0,0]=4 1884 B10R1.204 C=C(F)C(=O)NC1CSC1 11a_100016994217_100000036797 [0,1,0,1,0,0|2,0,0]=4 1885 B10R1.204 C=C(F)C(=O)NC1CSC1 1626a_100016994217_100000036797 [0,1,0,1,0,0|2,0,0]=4 1886 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|2,0,0]=4 1887 B10R1.204 C[C@@H](O)C(=O)NC1CSC1 240690a_100016994217_100000717761 [0,1,0,1,0,0|1,0,1]=4 1888 B10R1.204 C[C@H](O)C(=O)NC1CSC1 1626a_100016994217_217856618621 [0,1,0,1,0,0|1,0,1]=4 1889 B10R1.204 C[C@H](O)C(=O)NC1CSC1 240690a_100016994217_217856618621 [0,1,0,1,0,0|1,0,1]=4 1890 B10R1.204 NC(=O)C(=O)NC1CCC1 240690a_100000749019_100011215815 [0,1,0,1,0,0|2,0,0]=4 1891 B10R1.204 NC(=O)C(=O)NC1COC1 240690a_100016991112_100011215815 [0,1,0,1,0,0|1,1,0]=4 1892 B10R1.204 NC(=O)C(=O)NC1CSC1 240690a_100016994217_100011215815 [0,1,0,1,0,0|1,0,0]=3 1893 B10R1.204 O=C(NC1CSC1)C(O)O 240690a_100016994217_100000233687 [0,1,0,1,0,0|0,0,2]=4 1894 B10R1.131 CC1=CC(OC1=O)SCF 62a_100015361967_200009893386 [0,1,0,1,0,0|1,0,1]=4 1895 B10R1.131 CC1=CC(OC1=O)SCF 62a_200009893386_100015361967 [0,1,0,1,0,0|1,0,1]=4 1896 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,1,0,1,0,0|1,0,1]=4 1897 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,1,0,1,0,0|1,0,1]=4 1898 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|1,0,1]=4 1899 B10R1.186 CSCCNC(=O)C1CO1 11a_100020590264_100000701028 [0,1,0,1,0,0|1,0,1]=4 1900 B10R1.186 CSCCNC(=O)C1CO1 1626a_100020590264_100000701028 [0,1,0,1,0,0|1,0,1]=4 1901 B10R1.186 CSCCNC(=O)C1CO1 240690a_100020590264_100000701028 [0,1,0,1,0,0|1,0,1]=4 1902 B10R1.186 CSCCNC(=O)C1CO1 527a_100020590264_100000701028 [0,1,0,1,0,0|1,0,1]=4 1903 B10R2.485 O=C(CC1CS1)C2CO2 1458a_100000701028_100000031435 [0,0,0,2,0,0|1,0,1]=4 1904 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,0,0,0,0,2|2,0,0]=4 1905 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,0,0,0,0,2|2,0,0]=4 1906 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [0,0,0,0,0,2|2,0,0]=4 1907 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [0,0,0,0,0,2|2,0,0]=4 1908 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [0,0,0,0,0,2|2,0,0]=4 1909 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [0,0,0,0,0,2|2,0,0]=4 1910 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,0,0,0,0,2|2,0,0]=4 1911 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,0,0,0,0,2|2,0,0]=4 1912 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,0,0,0,0,2|2,0,0]=4 1913 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,0,0,0,0,2|2,0,0]=4 1914 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,0,0,0,0,2|2,0,0]=4 1915 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,0,0,0,0,2|2,0,0]=4 1916 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,0,0,0,0,2|2,0,0]=4 1917 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,0,0,0,0,2|2,0,0]=4 1918 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,0,0,0,0,2|2,0,0]=4 1919 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,0,0,0,0,2|2,0,0]=4 1920 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [0,0,0,0,0,2|2,0,0]=4 1921 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,0,0,0,0,2|1,0,0]=3 1922 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,0,0,0,0,2|1,1,0]=4 1923 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,0,0,0,0,2|1,1,0]=4 1924 B10R0.78 COCCC(=O)CNC(=O)N 1458a_100000184981_100000233755 [0,0,0,0,0,2|1,1,0]=4 1925 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,0,0,0,0,2|1,1,0]=4 1926 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,0,0,0,0,2|1,1,0]=4 1927 B10R0.78 COCCC(=O)NCC(=O)N 11a_100000711301_100000749529 [0,0,0,0,0,2|1,1,0]=4 1928 B10R0.78 COCCC(=O)NCC(=O)N 240690a_100000711301_100000749529 [0,0,0,0,0,2|1,1,0]=4 1929 B10R0.78 COCCC(=O)NCC(=O)N 527a_100000711301_100000749529 [0,0,0,0,0,2|1,1,0]=4 1930 B10R0.78 COCCC(=O)NNC(=O)C 22a_100000189765_100000749529 [0,0,0,0,0,2|1,1,0]=4 1931 B10R0.78 COCCC(=O)NNC(=O)C 22a_100011260505_100000070787 [0,0,0,0,0,2|1,1,0]=4 1932 B10R0.78 CSCCC(=NNC(=O)C)C 4a_100000189765_100011217047 [0,0,0,0,0,2|2,0,0]=4 1933 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,0,0,0,0,2|2,0,0]=4 1934 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,0,0,0,0,2|2,0,0]=4 1935 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,0,0,0,0,2|1,0,0]=3 1936 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,0,0,0,0,2|1,0,1]=4 1937 B10R0.78 CSCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000751147 [0,0,0,0,0,2|1,0,1]=4 1938 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,0,0,0,0,2|1,0,0]=3 1939 B10R0.78 CSCCC(=O)CNC(=O)N 1458a_100000184981_100000751147 [0,0,0,0,0,2|1,0,0]=3 1940 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,0,0,0,0,2|1,0,0]=3 1941 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,0,0,0,0,2|1,0,0]=3 1942 B10R0.78 CSCCC(=O)NCC(=O)N 11a_100000711301_100000174002 [0,0,0,0,0,2|1,0,0]=3 1943 B10R0.78 CSCCC(=O)NCC(=O)N 240690a_100000711301_100000174002 [0,0,0,0,0,2|1,0,0]=3 1944 B10R0.78 CSCCC(=O)NCC(=O)N 527a_100000711301_100000174002 [0,0,0,0,0,2|1,0,0]=3 1945 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [0,0,0,0,0,2|1,0,1]=4 1946 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [0,0,0,0,0,2|1,0,1]=4 1947 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [0,0,0,0,0,2|1,0,1]=4 1948 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [0,0,0,0,0,2|1,0,0]=3 1949 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,0,0,0,0,2|1,0,0]=3