0 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 C=C(C)C(=O)CC(F)F 1458a_100000185857_100011934356 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.23 C=C(C)CC(=O)C(O)O 1458a_100000233687_100000748629 [0,0,0,0,0,0|0,0,4]=4 9 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,0,0,0,0,0|3,0,0]=3 28 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,0,0,0,0,0|4,0,0]=4 30 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,0,0,0,0,0|2,0,1]=3 38 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,0,0,0,0,0|0,0,2]=2 40 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,0,0,0,0,0|3,0,0]=3 41 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,0,0,0,0,0|3,0,0]=3 43 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,0,0,0,0,0|3,0,0]=3 44 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,0,0,0,0,0|1,0,1]=2 45 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,0,0,0,0,0|1,0,1]=2 46 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,0,0,0,0|1,0,2]=3 47 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,0,0,0,0,0|2,0,0]=2 48 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,0,0,0,0,0|2,0,0]=2 49 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,0,0,0,0,0|1,0,2]=3 62 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,0,0,0,0,0|4,0,0]=4 63 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,0,0,0,0,0|2,0,1]=3 64 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,0,0,0,0,0|2,0,1]=3 65 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,0,0,0,0,0|2,0,2]=4 71 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,0,0,0,0|2,0,1]=3 72 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,0,0,0,0,0|2,0,2]=4 77 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,0,0,0,0,0|2,0,2]=4 78 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,0,0,0,0,0|2,0,2]=4 85 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,0,0,0,0,0|2,0,2]=4 86 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,0,0,0,0,0|1,0,2]=3 90 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,0,0,0,0,0|2,0,1]=3 91 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,0,0,0,0,0|2,0,1]=3 92 B8R0.23 CN(C)C(=O)C[S+](C)C 11a_100102631434_200159257847 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.23 CN(C)C(=O)C[S+](C)C 1626a_100102631434_200159257847 [0,0,0,0,0,0|4,0,0]=4 94 B8R0.23 CN(C)C(=O)C[S+](C)C 240690a_100102631434_200159257847 [0,0,0,0,0,0|4,0,0]=4 95 B8R0.23 CN(C)C(=O)C[S+](C)C 527a_100102631434_200159257847 [0,0,0,0,0,0|4,0,0]=4 96 B8R0.23 CN(C)CC(=O)N(C)C 11a_100102631434_100000750896 [0,0,0,0,0,0|4,0,0]=4 97 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100000185065_200000210301 [0,0,0,0,0,0|4,0,0]=4 98 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100102631434_100000185267 [0,0,0,0,0,0|4,0,0]=4 99 B8R0.23 CN(C)CC(=O)N(C)C 240690a_100102631434_100000750896 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.23 CN(C)CC(=O)N(C)C 269982a_100102631434_100000185267 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.23 CN(C)CC(=O)N(C)C 527a_100102631434_100000750896 [0,0,0,0,0,0|4,0,0]=4 102 B8R0.23 CN([13CH3])CC(=O)N(C)C 2230a_100000185065_200025704644 [0,0,0,0,0,0|4,0,0]=4 103 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [0,0,0,0,0,0|3,0,1]=4 104 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,0,0,0,0,0|4,0,0]=4 105 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.23 O=C(CC(F)F)C(O)O 1458a_100000233687_100011934356 [0,0,0,0,0,0|2,0,2]=4 107 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,0,0,0,0,0|1,0,1]=3 108 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,0,0,0,0,0|0,0,3]=4 110 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,0,0,0,0,0|1,0,0]=2 112 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,0,0,0,0,0|2,0,0]=3 113 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [1,0,0,0,0,0|3,0,0]=4 114 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,0,0,0,0,0|2,0,0]=3 115 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,0,0,0,0,0|2,0,0]=3 116 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,0,0,0,0,0|1,0,1]=3 117 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,0,0,0,0,0|0,0,1]=2 118 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,0,0,0,0,0|1,0,1]=3 119 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,0,0,0,0,0|1,0,1]=3 120 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,0,0,0,0,0|1,0,1]=3 121 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,0,0,0,0,0|1,0,1]=3 122 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,0,0,0,0,0|1,0,1]=3 123 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,0,0,0,0,0|2,0,0]=3 134 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,0,0,0,0,0|2,0,0]=3 135 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,0,0,0,0,0|2,0,0]=3 136 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,0,0,0,0,0|2,0,0]=3 137 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,0,0,0,0,0|3,0,0]=4 138 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,0,0,0,0,0|3,0,0]=4 139 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,0,0,0,0,0|3,0,0]=4 140 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,0,0,0,0,0|3,0,0]=4 141 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,0,0,0,0,0|3,0,0]=4 142 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,0,0,0,0,0|3,0,0]=4 143 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,0,0,0,0,0|3,0,0]=4 144 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,0,0,0,0,0|3,0,0]=4 145 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,0,0,0,0,0|3,0,0]=4 146 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,0,0,0,0,0|3,0,0]=4 148 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,0,0,0,0,0|3,0,0]=4 149 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,0,0,0,0,0|3,0,0]=4 150 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,0,0,0,0,0|3,0,0]=4 151 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,0,0,0,0,0|3,0,0]=4 153 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,0,0,0,0,0|3,0,0]=4 154 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,0,0,0,0,0|3,0,0]=4 156 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,0,0,0,0,0|3,0,0]=4 157 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,0,0,0,0,0|3,0,0]=4 158 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [1,0,0,0,0,0|3,0,0]=4 162 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,0,0,0,0|2,0,0]=3 163 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,0,0,0,0,0|3,0,0]=4 164 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [1,0,0,0,0,0|3,0,0]=4 167 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [1,0,0,0,0,0|3,0,0]=4 168 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,0,0,0,0,0|2,0,0]=3 169 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,0,0,0,0,0|2,0,0]=3 170 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,0,0,0,0|2,0,1]=4 173 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,0,0,0,0,0|0,0,2]=3 177 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 178 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 179 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 180 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 181 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,0,0|1,0,1]=3 182 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,0,0|1,0,1]=3 183 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|2,0,1]=4 184 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|2,0,1]=4 186 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 187 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 188 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|3,0,0]=4 190 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|1,0,2]=4 191 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|1,0,2]=4 192 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,0,0,0,0|2,0,0]=3 193 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,0,0,0,0,0|2,0,0]=3 194 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,0,0,0,0|2,0,0]=3 195 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,0,0,0,0,0|1,0,2]=4 196 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,0,0|2,0,1]=4 197 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,0,0|2,0,1]=4 198 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|2,0,1]=4 199 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,0,0,0,0,0|2,0,0]=3 200 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|2,0,1]=4 201 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [1,0,0,0,0,0|3,0,0]=4 203 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,0,0,0,0,0|2,0,0]=3 204 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,0,0,0,0,0|2,0,0]=3 205 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,0,0,0,0,0|2,0,0]=3 206 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,0,0,0,0,0|2,0,1]=4 209 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,0,0,0,0,0|1,0,2]=4 211 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,0,0,0,0,0|1,0,2]=4 212 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,1]=4 213 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [1,0,0,0,0,0|3,0,0]=4 214 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [1,0,0,0,0,0|3,0,0]=4 215 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,0,0,0,0|1,0,1]=3 216 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,0|1,0,1]=3 217 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,0|1,0,1]=3 218 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,0|2,0,1]=4 219 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,0,0|2,0,1]=4 220 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,0,0|2,0,1]=4 221 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,0|2,0,1]=4 222 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,0|2,0,1]=4 223 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,0|2,0,1]=4 224 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,0|2,0,0]=3 225 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,0|2,0,0]=3 226 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,0|2,0,0]=3 227 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,0|2,0,0]=3 228 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,0|3,0,0]=4 230 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,0,0,0,0,0|3,0,0]=4 233 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,0,0,0,0|1,0,1]=3 234 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,0|1,0,1]=3 235 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,0|2,0,1]=4 236 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,0|2,0,1]=4 237 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,0|2,0,1]=4 238 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,0|1,0,1]=3 239 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,0|1,0,2]=4 240 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,0,0|2,0,1]=4 241 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,0|2,0,1]=4 242 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,0,0|1,0,2]=4 243 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,0,0|2,0,1]=4 244 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,0,0|2,0,1]=4 245 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,0,0|1,0,2]=4 247 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,0,0|1,0,2]=4 248 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,0,0,0,0,0|2,0,1]=4 249 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,0,0,0,0,0|2,0,1]=4 250 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,0,0,0,0,0|2,0,1]=4 251 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,0,0,0,0,0|2,0,1]=4 252 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,0,0|2,0,1]=4 253 B9R0.10 CC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000210624 [0,1,0,0,0,0|2,0,1]=4 254 B9R0.10 CC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000210624 [0,1,0,0,0,0|2,0,1]=4 255 B9R0.10 CC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000210624 [0,1,0,0,0,0|1,0,1]=3 256 B9R0.10 CC(C)CC(=O)C(F)(F)F 1458a_100000210554_200000243211 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.10 CC(C)CC(=O)C(F)(F)F 1458a_100015355933_100000210624 [0,1,0,0,0,0|2,0,1]=4 258 B9R0.10 CC(C)NC(=O)C(C)(C)O 240690a_100138425928_100000242741 [0,1,0,0,0,0|2,0,1]=4 259 B9R0.10 CC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218427 [0,1,0,0,0,0|2,0,1]=4 260 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,1,0,0,0,0|1,0,2]=4 261 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,1,0,0,0,0|1,0,2]=4 262 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [0,1,0,0,0,0|2,0,1]=4 263 B9R0.23 C#CC(C)C(=O)CC(C)C 1458a_100000210554_200000035995 [0,1,0,0,0,0|2,0,1]=4 264 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,1,0,0,0,0|2,0,0]=3 265 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,1,0,0,0,0|3,0,0]=4 266 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100020587367 [0,1,0,0,0,0|3,0,0]=4 267 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100020587367 [0,1,0,0,0,0|3,0,0]=4 268 B9R0.23 C=C(C)CC(=O)C(=O)NC 1458a_100011218921_100000748629 [0,1,0,0,0,0|1,0,2]=4 269 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,1,0,0,0,0|2,0,1]=4 270 B9R0.23 C=CC(=O)N(C)CC(C)C 1626a_100000747067_100000185746 [0,1,0,0,0,0|3,0,0]=4 271 B9R0.23 C=CC(=O)N(C)CC(C)C 240690a_100000747067_200121576911 [0,1,0,0,0,0|3,0,0]=4 272 B9R0.23 C=CC(C)C(=O)CC(C)C 1458a_100011216780_100000210624 [0,1,0,0,0,0|2,0,1]=4 273 B9R0.23 CC(C)CC(=O)C(C)C#N 1458a_100000210554_100000703298 [0,1,0,0,0,0|2,0,1]=4 274 B9R0.23 CC(C)CC(=O)C(C)C#N 1458a_100000753662_100000210624 [0,1,0,0,0,0|2,0,1]=4 275 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [0,1,0,0,0,0|0,0,2]=3 276 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,1,0,0,0,0|1,0,1]=3 277 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,1,0,0,0,0|2,0,0]=3 278 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,1,0,0,0,0|2,0,0]=3 279 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [0,1,0,0,0,0|1,0,2]=4 280 B9R0.23 CC(C)NC(=O)C(=O)CF 1458a_100011220036_100015361967 [0,1,0,0,0,0|2,0,0]=3 281 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [0,1,0,0,0,0|1,0,2]=4 282 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [0,1,0,0,0,0|1,0,2]=4 285 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [0,1,0,0,0,0|3,0,0]=4 286 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [0,1,0,0,0,0|3,0,0]=4 287 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,0,0,0,0|2,0,0]=3 288 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,1,0,0,0,0|2,0,1]=4 289 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 290 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 291 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 292 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,1,0,0,0,0|3,0,0]=4 293 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,1,0,0,0,0|1,0,2]=4 294 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,1,0,0,0,0|2,0,1]=4 295 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,1,0,0,0,0|2,0,1]=4 296 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,1,0,0,0,0|1,0,1]=3 297 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,1,0,0,0,0|2,0,1]=4 298 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,1,0,0,0,0|2,0,1]=4 299 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,1,0,0,0,0|3,0,0]=4 300 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,1,0,0,0,0|3,0,0]=4 301 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,1,0,0,0,0|3,0,0]=4 303 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,1,0,0,0,0|1,0,0]=2 304 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,1,0,0,0,0|2,0,0]=3 305 B9R0.23 CNC(=O)C(=O)CC(F)F 1458a_100011218921_100011934356 [0,1,0,0,0,0|3,0,0]=4 306 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [0,1,0,0,0,0|2,0,0]=3 307 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [0,1,0,0,0,0|2,0,0]=3 308 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [0,1,0,0,0,0|2,0,0]=3 309 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [0,1,0,0,0,0|2,0,0]=3 310 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [0,1,0,0,0,0|2,0,0]=3 311 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [0,1,0,0,0,0|2,0,0]=3 312 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [0,1,0,0,0,0|3,0,0]=4 313 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [0,1,0,0,0,0|3,0,0]=4 314 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,1,0,0,0,0|1,0,2]=4 315 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,1,0,0,0,0|1,0,2]=4 316 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,1,0,0,0,0|1,0,0]=2 317 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,1,0,0,0,0|1,0,0]=2 318 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,1,0,0,0,0|1,0,0]=2 319 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,1,0,0,0,0|1,0,0]=2 320 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,1,0,0,0,0|2,0,1]=4 321 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,0,0|2,0,1]=4 322 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,0,0|2,0,1]=4 323 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,0,0|2,0,1]=4 324 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,0,0|2,0,1]=4 325 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,0,0|2,0,1]=4 326 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,0,0|2,0,1]=4 327 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [0,1,0,0,0,0|1,0,1]=3 328 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [0,1,0,0,0,0|2,0,1]=4 329 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [0,1,0,0,0,0|2,0,1]=4 330 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [0,1,0,0,0,0|2,0,1]=4 331 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [0,1,0,0,0,0|2,0,1]=4 332 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [0,1,0,0,0,0|2,0,1]=4 333 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [0,1,0,0,0,0|2,0,1]=4 334 B9R0.23 CON(C)C(=O)CN(C)C 2230a_100102631434_100000764215 [0,1,0,0,0,0|3,0,0]=4 335 B9R0.23 CON(C)C(=O)CN(C)C 269982a_100102631434_100000764215 [0,1,0,0,0,0|3,0,0]=4 336 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [0,1,0,0,0,0|2,0,1]=4 337 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [0,1,0,0,0,0|2,0,1]=4 338 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [0,1,0,0,0,0|1,1,1]=4 339 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,1,0,0,0,0|2,0,1]=4 340 B9R0.39 CC(=O)/C(=C/C(C)C)/C#N 1458a_200042966509_200000210301 [0,1,0,0,0,0|2,0,1]=4 341 B9R0.39 CC(C)/C=C(\C#N)/C(=O)[13CH3] 1458a_200042966509_200025704644 [0,1,0,0,0,0|2,0,1]=4 342 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,1,0,0,0,0|2,0,1]=4 343 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,1,0,0,0,0|2,0,1]=4 344 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,0,0,0,0|1,0,2]=4 345 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,1,0,0,0,0|3,0,0]=4 346 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,1,0,0,0,0|3,0,0]=4 347 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,1,0,0,0,0|3,0,0]=4 348 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,1,0,0,0,0|3,0,0]=4 349 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,0,0,0,0|2,0,1]=4 350 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,1,0,0,0,0|2,0,1]=4 351 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,1,0,0,0,0|2,0,1]=4 352 B9R0.42 C#CC(C)NC(=O)C(=O)N 240690a_100000707721_100011215815 [0,1,0,0,0,0|2,0,1]=4 353 B9R0.42 C=C(Br)C(=O)NC(C)CC 11a_100000209981_100009813364 [0,1,0,0,0,0|3,0,0]=4 354 B9R0.42 C=C(Br)C(=O)NC(C)CC 1626a_100000209981_100009813364 [0,1,0,0,0,0|3,0,0]=4 355 B9R0.42 C=C(Br)C(=O)N[C@H](C)CF 11a_100102880703_100009813364 [0,1,0,0,0,0|3,0,0]=4 356 B9R0.42 C=C(Br)C(=O)N[C@H](C)CF 1626a_100102880703_100009813364 [0,1,0,0,0,0|3,0,0]=4 357 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,0,0,0,0|2,0,0]=3 358 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,1,0,0,0,0|3,0,0]=4 359 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,0,0,0,0|2,0,0]=3 360 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,1,0,0,0,0|2,0,0]=3 361 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,1,0,0,0,0|3,0,0]=4 362 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,1,0,0,0,0|3,0,0]=4 363 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 11a_100102880703_100000185857 [0,1,0,0,0,0|3,0,0]=4 364 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000185857 [0,1,0,0,0,0|3,0,0]=4 365 B9R0.42 C=C(Cl)C(=O)NC(C)CC 11a_100000209981_100000039160 [0,1,0,0,0,0|3,0,0]=4 366 B9R0.42 C=C(Cl)C(=O)NC(C)CC 1626a_100000209981_100000039160 [0,1,0,0,0,0|3,0,0]=4 367 B9R0.42 C=C(Cl)C(=O)N[C@H](C)CF 11a_100102880703_100000039160 [0,1,0,0,0,0|3,0,0]=4 368 B9R0.42 C=C(Cl)C(=O)N[C@H](C)CF 1626a_100102880703_100000039160 [0,1,0,0,0,0|3,0,0]=4 369 B9R0.42 C=C(F)C(=O)NC(C)CC 11a_100000209981_100000036797 [0,1,0,0,0,0|3,0,0]=4 370 B9R0.42 C=C(F)C(=O)NC(C)CC 1626a_100000209981_100000036797 [0,1,0,0,0,0|3,0,0]=4 371 B9R0.42 C=C(F)C(=O)N[C@H](C)CF 11a_100102880703_100000036797 [0,1,0,0,0,0|3,0,0]=4 372 B9R0.42 C=C(F)C(=O)N[C@H](C)CF 1626a_100102880703_100000036797 [0,1,0,0,0,0|3,0,0]=4 373 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,1,0,0,0,0|2,0,1]=4 374 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,1,0,0,0,0|2,0,1]=4 375 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,1,0,0,0,0|2,0,1]=4 376 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,0|2,0,1]=4 377 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,1,0,0,0,0|2,0,1]=4 378 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,1,0,0,0,0|2,0,1]=4 379 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,1,0,0,0,0|2,0,1]=4 380 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,0,0,0,0|0,0,2]=3 381 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,1,0,0,0,0|3,0,0]=4 382 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,1,0,0,0,0|3,0,0]=4 383 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,1,0,0,0,0|3,0,0]=4 384 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,1,0,0,0,0|3,0,0]=4 385 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,0,0,0,0|1,0,1]=3 386 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,0,0,0,0|1,0,1]=3 387 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 388 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 389 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 390 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,0,0,0,0|3,0,0]=4 391 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,0,0,0,0|2,0,0]=3 392 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,1,0,0,0,0|2,0,0]=3 393 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,0,0,0,0|2,0,0]=3 394 B9R0.42 CCC(C)NC(=O)C(O)O 240690a_100000209981_100000233687 [0,1,0,0,0,0|1,0,2]=4 395 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,1,0,0,0,0|2,0,1]=4 396 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,1,0,0,0,0|2,0,1]=4 397 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,1,0,0,0,0|2,0,1]=4 398 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,0|2,0,1]=4 399 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,1,0,0,0,0|1,0,2]=4 400 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,1,0,0,0,0|2,0,1]=4 401 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,1,0,0,0,0|2,0,1]=4 402 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,1,0,0,0,0|2,0,0]=3 403 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,1,0,0,0,0|2,0,1]=4 404 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,1,0,0,0,0|2,0,1]=4 405 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,0,0,0,0|0,0,2]=3 406 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,0,0,0,0|1,0,1]=3 407 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,0,0,0,0|1,0,1]=3 408 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,0|2,0,1]=4 409 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,1,0,0,0,0|0,0,2]=3 410 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,1,0,0,0,0|1,0,1]=3 411 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,1,0,0,0,0|1,0,1]=3 412 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,1,0,0,0,0|2,0,0]=3 413 B9R0.42 C[C@H](CF)NC(=O)C(O)O 240690a_100102880703_100000233687 [0,1,0,0,0,0|1,0,2]=4 414 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [0,1,0,0,0,0|2,0,1]=4 415 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [0,1,0,0,0,0|2,0,1]=4 416 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [0,1,0,0,0,0|2,0,1]=4 417 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,1,0,0,0,0|2,0,0]=3 418 B9R0.42 C[C@H](CO)NC(=O)C(O)O 240690a_100000737577_100000233687 [0,1,0,0,0,0|1,0,2]=4 419 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,1,0,0,0,0|2,0,1]=4 420 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,1,0,0,0,0|2,0,1]=4 421 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,0|2,0,1]=4 422 B9R0.57 C=C(Br)C(=O)NC(C)(C)C 11a_100000715429_100009813364 [0,1,0,0,0,0|3,0,0]=4 423 B9R0.57 C=C(Br)C(=O)NC(C)(C)C 1626a_100000715429_100009813364 [0,1,0,0,0,0|3,0,0]=4 424 B9R0.57 C=C(C)C(=O)C[Si](C)(C)C 1458a_100000185857_100000233785 [0,1,0,0,0,0|2,1,0]=4 425 B9R0.57 C=C(C)C(=O)NC(C)(C)C 11a_100000715429_100000185857 [0,1,0,0,0,0|3,0,0]=4 426 B9R0.57 C=C(C)C(=O)NC(C)(C)C 1626a_100000715429_100000185857 [0,1,0,0,0,0|3,0,0]=4 427 B9R0.57 C=C(Cl)C(=O)NC(C)(C)C 11a_100000715429_100000039160 [0,1,0,0,0,0|3,0,0]=4 428 B9R0.57 C=C(Cl)C(=O)NC(C)(C)C 1626a_100000715429_100000039160 [0,1,0,0,0,0|3,0,0]=4 429 B9R0.57 C=C(F)C(=O)NC(C)(C)C 11a_100000715429_100000036797 [0,1,0,0,0,0|3,0,0]=4 430 B9R0.57 C=C(F)C(=O)NC(C)(C)C 1626a_100000715429_100000036797 [0,1,0,0,0,0|3,0,0]=4 431 B9R0.57 CC(=O)C(=O)NC(C)(C)C 1458a_100000238687_200000210301 [0,1,0,0,0,0|2,0,0]=3 432 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [0,1,0,0,0,0|3,0,0]=4 433 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [0,1,0,0,0,0|3,0,0]=4 434 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [0,1,0,0,0,0|3,0,0]=4 435 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [0,1,0,0,0,0|3,0,0]=4 436 B9R0.57 CC(=O)N(C)CC(C)(C)O 1626a_100000755907_100015343762 [0,1,0,0,0,0|3,0,0]=4 437 B9R0.57 CC(=O)N(C)CC(C)(C)O 240690a_100000755907_100015343762 [0,1,0,0,0,0|3,0,0]=4 438 B9R0.57 CC(=O)N(C)CC(C)(C)O 527a_100000755907_100103153847 [0,1,0,0,0,0|3,0,0]=4 439 B9R0.57 CC(C)(C)NC(=O)C(=O)N 240690a_100000715429_100011215815 [0,1,0,0,0,0|2,0,0]=3 440 B9R0.57 CC(C)(C)NC(=O)C(=O)[13CH3] 1458a_100000238687_200025704644 [0,1,0,0,0,0|2,0,0]=3 441 B9R0.57 CC(C)(C)NC(=O)C(O)O 240690a_100000715429_100000233687 [0,1,0,0,0,0|1,0,2]=4 442 B9R0.57 CC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000210206 [0,1,0,0,0,0|2,0,1]=4 443 B9R0.57 CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000210206 [0,1,0,0,0,0|2,0,1]=4 444 B9R0.57 CN(C)C(=O)CC(C)(C)C 11a_100102631434_100000211214 [0,1,0,0,0,0|3,0,0]=4 445 B9R0.57 CN(C)C(=O)CC(C)(C)C 1626a_100102631434_100000211214 [0,1,0,0,0,0|3,0,0]=4 446 B9R0.57 CN(C)C(=O)CC(C)(C)C 240690a_100102631434_100000211214 [0,1,0,0,0,0|3,0,0]=4 447 B9R0.57 CN(C)C(=O)CC(C)(C)C 527a_100102631434_100000211214 [0,1,0,0,0,0|3,0,0]=4 448 B9R0.57 CN(C)C(=O)CC(C)(C)O 527a_100102631434_100000693243 [0,1,0,0,0,0|3,0,0]=4 449 B9R0.57 C[C@@H](O)C(=O)C[Si](C)(C)C 1458a_100000717761_100000233785 [0,1,0,0,0,0|1,1,1]=4 450 B9R0.57 C[C@@H](O)C(=O)NC(C)(C)C 240690a_100000715429_100000717761 [0,1,0,0,0,0|2,0,1]=4 451 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,0|2,0,1]=4 452 B9R0.57 C[C@H](O)C(=O)C[Si](C)(C)C 1458a_217856618621_100000233785 [0,1,0,0,0,0|1,1,1]=4 453 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 1626a_100000715429_217856618621 [0,1,0,0,0,0|2,0,1]=4 454 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 240690a_100000715429_217856618621 [0,1,0,0,0,0|2,0,1]=4 455 B9R0.57 C[Si](C)(C)CC(=O)C(O)O 1458a_100000233687_100000233785 [0,1,0,0,0,0|0,1,2]=4 456 B9R0.79 C=C(Br)C(=O)N(C)C(C)C 11a_200000211004_100009813364 [0,1,0,0,0,0|3,0,0]=4 457 B9R0.79 C=C(Br)C(=O)N(C)C(C)C 1626a_200000211004_100009813364 [0,1,0,0,0,0|3,0,0]=4 458 B9R0.79 C=C(C)C(=O)N(C)C(C)C 11a_200000211004_100000185857 [0,1,0,0,0,0|3,0,0]=4 459 B9R0.79 C=C(C)C(=O)N(C)C(C)C 1626a_200000211004_100000185857 [0,1,0,0,0,0|3,0,0]=4 460 B9R0.79 C=C(Cl)C(=O)N(C)C(C)C 11a_200000211004_100000039160 [0,1,0,0,0,0|3,0,0]=4 461 B9R0.79 C=C(Cl)C(=O)N(C)C(C)C 1626a_200000211004_100000039160 [0,1,0,0,0,0|3,0,0]=4 462 B9R0.79 C=C(F)C(=O)N(C)C(C)C 11a_200000211004_100000036797 [0,1,0,0,0,0|3,0,0]=4 463 B9R0.79 C=C(F)C(=O)N(C)C(C)C 1626a_200000211004_100000036797 [0,1,0,0,0,0|3,0,0]=4 464 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 465 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 466 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 467 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,1,0,0,0,0|3,0,0]=4 468 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,1,0,0,0,0|2,0,1]=4 469 B9R0.79 CC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000210206 [0,1,0,0,0,0|2,0,1]=4 470 B9R0.79 CC(C)C(C)C(=O)N(C)C 11a_100102631434_100000755409 [0,1,0,0,0,0|3,0,0]=4 471 B9R0.79 CC(C)C(C)C(=O)N(C)C 1626a_100102631434_100000755409 [0,1,0,0,0,0|3,0,0]=4 472 B9R0.79 CC(C)C(C)C(=O)N(C)C 240690a_100102631434_100000755409 [0,1,0,0,0,0|3,0,0]=4 473 B9R0.79 CC(C)C(C)C(=O)N(C)C 527a_100102631434_100000755409 [0,1,0,0,0,0|3,0,0]=4 474 B9R0.79 CC(C)N(C)C(=O)C(=O)N 240690a_200000211004_100011215815 [0,1,0,0,0,0|2,0,0]=3 475 B9R0.79 CC(C)N(C)C(=O)C(O)O 240690a_200000211004_100000233687 [0,1,0,0,0,0|1,0,2]=4 476 B9R0.79 CC(C)N(C)C(=O)[C@@H](C)O 240690a_200000211004_100000717761 [0,1,0,0,0,0|2,0,1]=4 477 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 1626a_200000211004_217856618621 [0,1,0,0,0,0|2,0,1]=4 478 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 240690a_200000211004_217856618621 [0,1,0,0,0,0|2,0,1]=4 479 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,0|2,0,1]=4 480 B9R0.79 CC(C)[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000691806 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 482 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 483 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|3,0,0]=4 484 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,0,0,1,0,0|2,0,1]=4 485 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,0,0,1,0,0|3,0,0]=4 486 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,0,0,1,0,0|3,0,0]=4 487 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,0,0,1,0,0|3,0,0]=4 488 B9R1.112 C=C(Br)C(=O)NC1CC1 1626a_100000212008_100009813364 [0,0,0,1,0,0|3,0,0]=4 489 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,0,0,1,0,0|2,0,0]=3 490 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,0,0,1,0,0|3,0,0]=4 491 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,0,0,1,0,0|3,0,0]=4 492 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,0,0,1,0,0|3,0,0]=4 493 B9R1.112 C=C(C)C(=O)NC1CC1 1626a_100000212008_100000185857 [0,0,0,1,0,0|3,0,0]=4 494 B9R1.112 C=C(Cl)C(=O)NC1CC1 1626a_100000212008_100000039160 [0,0,0,1,0,0|3,0,0]=4 495 B9R1.112 C=C(F)C(=O)NC1CC1 1626a_100000212008_100000036797 [0,0,0,1,0,0|3,0,0]=4 496 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,0,0,1,0,0|2,0,0]=3 497 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,0,0,1,0,0|3,0,0]=4 498 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,0,0,1,0,0|3,0,0]=4 499 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,0,0,1,0,0|3,0,0]=4 500 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,0,0,1,0,0|3,0,0]=4 501 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,0,0,1,0,0|2,0,1]=4 502 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,0,0,1,0,0|2,0,1]=4 503 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,0,0,1,0,0|2,0,1]=4 504 B9R1.112 CN(C)C(=O)CC1CC1 11a_100102631434_100000738066 [0,0,0,1,0,0|3,0,0]=4 505 B9R1.112 CN(C)C(=O)CC1CC1 1626a_100102631434_100000738066 [0,0,0,1,0,0|3,0,0]=4 506 B9R1.112 CN(C)C(=O)CC1CC1 240690a_100102631434_100000738066 [0,0,0,1,0,0|3,0,0]=4 507 B9R1.112 CN(C)C(=O)CC1CC1 527a_100102631434_100000738066 [0,0,0,1,0,0|3,0,0]=4 508 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,0,0,1,0,0|1,0,1]=3 509 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,0,0,1,0,0|2,0,1]=4 510 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,0,0,1,0,0|2,0,1]=4 511 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,0,0,1,0,0|2,0,1]=4 512 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,0,0,1,0,0|2,0,1]=4 513 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,0|2,0,1]=4 514 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,0,0,1,0,0|1,0,1]=3 515 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,0,0,1,0,0|2,0,1]=4 516 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,0,0,1,0,0|2,0,1]=4 517 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,0,0,1,0,0|2,0,1]=4 518 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,0,0,1,0,0|2,0,1]=4 519 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,0,0,1,0,0|2,0,1]=4 520 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,0,0,1,0,0|2,0,0]=3 521 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,0,0,1,0,0|0,0,2]=3 522 B9R1.112 O=C(CC1CO1)C(O)O 1458a_100000233687_100011216344 [0,0,0,1,0,0|1,0,2]=4 523 B9R1.112 O=C(CC1CS1)C(O)O 1458a_100000233687_100000031435 [0,0,0,1,0,0|1,0,2]=4 524 B9R1.112 O=C(C[C@@H]1CO1)C(O)O 1458a_100000233687_100000745022 [0,0,0,1,0,0|1,0,2]=4 525 B9R1.112 O=C(NC1CC1)C(O)O 240690a_100000212008_100000233687 [0,0,0,1,0,0|1,0,2]=4 526 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,0,0,1,0,0|2,0,0]=3 527 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,0,0,1,0,0|2,0,1]=4 528 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [0,0,0,1,0,0|1,0,1]=3 529 B9R1.137 CC(C)NC(=O)C1CO1 11a_100138425928_100000701028 [0,0,0,1,0,0|2,0,1]=4 530 B9R1.137 CC(C)NC(=O)C1CO1 1626a_100138425928_100000701028 [0,0,0,1,0,0|2,0,1]=4 531 B9R1.137 CC(C)NC(=O)C1CO1 240690a_100138425928_100000701028 [0,0,0,1,0,0|2,0,1]=4 532 B9R1.137 CC(C)NC(=O)C1CO1 527a_100138425928_100000701028 [0,0,0,1,0,0|2,0,1]=4 533 B9R1.137 CC(O)CC(=O)C1CO1 1458a_100000701028_100011218427 [0,0,0,1,0,0|2,0,1]=4 534 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,0,0,1,0,0|2,0,1]=4 535 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [0,0,0,1,0,0|3,0,0]=4 536 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [0,0,0,1,0,0|3,0,0]=4 537 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [0,0,0,1,0,0|3,0,0]=4 538 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [0,0,0,1,0,0|3,0,0]=4 539 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,0,0,1,0,0|2,0,1]=4 540 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,0,0,0,1,0|3,0,0]=4 541 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,0,0,0,1,0|3,0,0]=4 542 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,0,0,0,1,0|2,0,0]=3 543 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,0,0,0,1,0|3,0,0]=4 544 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,0,0,0,1,0|3,0,0]=4 545 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,0,0,0,1,0|3,0,0]=4 546 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,0,0,0,1,0|3,0,0]=4 547 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,0,0,0,1,0|3,0,0]=4 548 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,0,0,0,1,0|3,0,0]=4 549 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,0,0,0,1,0|2,0,0]=3 550 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,0,0,1,0|2,0,1]=4 551 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,0,0,0,1,0|3,0,0]=4 552 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,0,0,0,1,0|3,0,0]=4 553 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,0,0,0,1,0|3,0,0]=4 554 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,0,0,0,1,0|3,0,0]=4 555 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,0,0,0,1,0|1,0,2]=4 556 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,0,0,1,0|2,0,1]=4 557 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,0,0,1,0|2,0,1]=4 558 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,0,0,0,1,0|2,0,1]=4 559 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,0,0,0,1,0|2,0,1]=4 560 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,0,0,0,1,0|0,0,2]=3 561 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,0,0,0,1,0|3,0,0]=4 562 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,0,0,0,1,0|3,0,0]=4 563 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,0,0,0,1,0|3,0,0]=4 564 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,0,0,0,1,0|3,0,0]=4 565 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,0,0,0,1,0|1,0,1]=3 566 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,0,0,0,1,0|1,0,1]=3 567 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,0,0,1,0|2,0,1]=4 568 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,0,0,0,1,0|1,0,2]=4 569 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,0,0,0,1,0|2,0,0]=3 570 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,0,0,0,1,0|2,0,0]=3 571 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [0,0,0,0,1,0|1,0,2]=4 572 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,0,0,0,1,0|2,0,1]=4 573 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,0,0,0,1,0|2,0,1]=4 574 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,0,0,0,1,0|2,0,1]=4 575 B9R0.7 C=C(Br)C(=O)NCC(C)C 11a_100000210953_100009813364 [0,0,0,0,0,1|2,0,0]=3 576 B9R0.7 C=C(Br)C(=O)NCC(C)C 1626a_100000210953_100009813364 [0,0,0,0,0,1|2,0,0]=3 577 B9R0.7 C=C(Br)C(=O)NCC(C)O 11a_100000210904_100009813364 [0,0,0,0,0,1|3,0,0]=4 578 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,0,0,0,0,1|2,0,1]=4 579 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,0,0,0,0,1|2,0,0]=3 580 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,0,0,0,0,1|3,0,0]=4 581 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,0,0,0,0,1|2,0,0]=3 582 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,0,0,0,0,1|2,0,0]=3 583 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,0,0,0,0,1|3,0,0]=4 584 B9R0.7 C=C(C)C(=O)NNC(C)C 22a_100000741168_100000185857 [0,0,0,0,0,1|3,0,0]=4 585 B9R0.7 C=C(C)CNC(=O)C(=O)N 240690a_100000765925_100011215815 [0,0,0,0,0,1|1,0,2]=4 586 B9R0.7 C=C(Cl)C(=O)NCC(C)C 11a_100000210953_100000039160 [0,0,0,0,0,1|2,0,0]=3 587 B9R0.7 C=C(Cl)C(=O)NCC(C)C 1626a_100000210953_100000039160 [0,0,0,0,0,1|2,0,0]=3 588 B9R0.7 C=C(Cl)C(=O)NCC(C)O 11a_100000210904_100000039160 [0,0,0,0,0,1|3,0,0]=4 589 B9R0.7 C=C(Cl)C(=O)NNC(C)C 22a_100000741168_100000039160 [0,0,0,0,0,1|3,0,0]=4 590 B9R0.7 C=C(F)C(=O)NCC(C)C 11a_100000210953_100000036797 [0,0,0,0,0,1|2,0,0]=3 591 B9R0.7 C=C(F)C(=O)NCC(C)C 1626a_100000210953_100000036797 [0,0,0,0,0,1|2,0,0]=3 592 B9R0.7 C=C(F)C(=O)NCC(C)O 11a_100000210904_100000036797 [0,0,0,0,0,1|3,0,0]=4 593 B9R0.7 C=C(F)C(=O)NNC(C)C 22a_100000741168_100000036797 [0,0,0,0,0,1|3,0,0]=4 594 B9R0.7 CC(=CCC(=O)C(O)O)C 1458a_100000233687_100000761012 [0,0,0,0,0,1|0,0,3]=4 595 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [0,0,0,0,0,1|1,0,2]=4 596 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [0,0,0,0,0,1|1,0,2]=4 597 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,0,0,0,0,1|1,0,0]=2 598 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,0,0,0,0,1|1,0,0]=2 599 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,0,0,0,0,1|1,0,0]=2 600 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,0,0,0,0,1|1,0,0]=2 601 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,0,0,0,0,1|1,0,0]=2 602 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,0,1|2,0,1]=4 603 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,0,0,0,0,1|2,0,1]=4 604 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,0,0,0,0,1|2,0,1]=4 605 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,0,0,0,0,1|2,0,1]=4 606 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,0,0,0,0,1|2,0,1]=4 607 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,0,0,0,0,1|2,0,1]=4 608 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,0,0,0,0,1|2,0,1]=4 609 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,0,0,0,0,1|3,0,0]=4 610 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,0,0,0,0,1|3,0,0]=4 611 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,0,0,0,0,1|3,0,0]=4 612 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,0,0,0,0,1|3,0,0]=4 613 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,0,0,0,0,1|2,0,1]=4 614 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,0,0,0,0,1|2,0,1]=4 615 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,0,0,0,0,1|2,0,1]=4 616 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,0,0,0,0,1|0,0,2]=3 617 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,0,0,0,0,1|3,0,0]=4 618 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,0,0,0,0,1|3,0,0]=4 619 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,0,0,0,0,1|3,0,0]=4 620 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,0,0,0,0,1|3,0,0]=4 621 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,0,0,0,0,1|1,0,1]=3 622 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,0,0,0,0,1|1,0,1]=3 623 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,0,0,0,0,1|1,0,0]=2 624 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,0,0,0,0,1|1,0,0]=2 625 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,0,0,0,0,1|2,0,1]=4 626 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,0,0,0,0,1|2,0,1]=4 627 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,0,0,0,0,1|2,0,1]=4 628 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,0,0,0,0,1|2,0,1]=4 629 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [0,0,0,0,0,1|2,0,1]=4 630 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [0,0,0,0,0,1|2,0,1]=4 631 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [0,0,0,0,0,1|2,0,1]=4 632 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [0,0,0,0,0,1|2,0,1]=4 633 B9R0.7 CC(C)CNC(=O)C(F)F 11a_100000210953_100000210393 [0,0,0,0,0,1|2,0,1]=4 634 B9R0.7 CC(C)CNC(=O)C(F)F 1626a_100000210953_100000210393 [0,0,0,0,0,1|2,0,1]=4 635 B9R0.7 CC(C)CNC(=O)C(F)F 240690a_100000210953_100000210393 [0,0,0,0,0,1|2,0,1]=4 636 B9R0.7 CC(C)CNC(=O)C(F)F 527a_100000210953_100000210393 [0,0,0,0,0,1|2,0,1]=4 637 B9R0.7 CC(C)CNC(=O)C(O)O 240690a_100000210953_100000233687 [0,0,0,0,0,1|0,0,2]=3 638 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [0,0,0,0,0,1|3,0,0]=4 639 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,0,0,0,0,1|1,0,1]=3 640 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,0,0,0,0,1|1,0,1]=3 641 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,0,0,0,0,1|1,0,1]=3 642 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,0,0,0,0,1|2,0,1]=4 643 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,0,0,0,0,1|2,0,1]=4 644 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,0,0,0,0,1|2,0,1]=4 645 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,0,0,0,0,1|2,0,1]=4 646 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,0,0,0,0,1|1,0,2]=4 647 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,1|1,0,1]=3 648 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,0,0,0,0,1|2,0,1]=4 649 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,0,0,0,0,1|2,0,1]=4 650 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,0,0,0,0,1|2,0,1]=4 651 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,0,0,0,0,1|2,0,1]=4 652 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,0,0,0,0,1|2,0,1]=4 653 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,0,0,0,0,1|1,0,2]=4 654 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,0,0,0,0,1|1,0,2]=4 655 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,0,0,0,0,1|2,0,1]=4 656 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,0,0,0,0,1|2,0,1]=4 657 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,0,0,0,0,1|2,0,1]=4 658 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,0,0,0,0,1|2,0,1]=4 659 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,0,0,0,0,1|2,0,1]=4 660 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,0,0,0,0,1|2,0,1]=4 661 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,0,0,0,0,1|1,0,2]=4 662 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,0,0,0,0,1|1,0,2]=4 663 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [0,0,0,0,0,1|2,0,1]=4 664 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [0,0,0,0,0,1|2,0,1]=4 665 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100015183351_100000210206 [0,0,0,0,0,1|3,0,0]=4 666 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100138425928_100000185267 [0,0,0,0,0,1|3,0,0]=4 667 B9R0.7 CC(C)NCC(=O)N(C)C 34a_100138425928_100000692301 [0,0,0,0,0,1|3,0,0]=4 668 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,1|1,0,1]=3 669 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,0,0,0,0,1|1,0,1]=3 670 B9R0.7 CC(C)NNC(=O)C(=O)N 22a_100000741168_100011215815 [0,0,0,0,0,1|2,0,0]=3 671 B9R0.7 CC(C)NNC(=O)C(O)O 22a_100000741168_100000233687 [0,0,0,0,0,1|1,0,2]=4 672 B9R0.7 CC(C)NNC(=O)[C@@H](C)O 22a_100000741168_100000717761 [0,0,0,0,0,1|2,0,1]=4 673 B9R0.7 CC(C)NNC(=O)[C@H](C)O 22a_100000741168_217856618621 [0,0,0,0,0,1|2,0,1]=4 674 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,0,0,0,0,1|2,0,1]=4 675 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,0,0,0,0,1|2,0,1]=4 676 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [0,0,0,0,0,1|3,0,0]=4 677 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [0,0,0,0,0,1|3,0,0]=4 678 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [0,0,0,0,0,1|3,0,0]=4 679 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [0,0,0,0,0,1|3,0,0]=4 680 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [0,0,0,0,0,1|3,0,0]=4 681 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,0,0,0,0,1|2,0,1]=4 682 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,0,0,0,0,1|2,0,1]=4 683 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,0,0,0,0,1|2,0,1]=4 684 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,0,0,0,0,1|2,0,1]=4 685 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [0,0,0,0,0,1|3,0,0]=4 686 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [0,0,0,0,0,1|3,0,0]=4 687 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [0,0,0,0,0,1|3,0,0]=4 688 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [0,0,0,0,0,1|3,0,0]=4 689 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [0,0,0,0,0,1|3,0,0]=4 690 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [0,0,0,0,0,1|3,0,0]=4 691 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,0,0,0,0,1|1,0,2]=4 692 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,0,0,0,0,1|2,0,1]=4 693 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,0,0,0,0,1|2,0,1]=4 694 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,0,0,0,0,1|2,0,0]=3 695 B9R0.7 CC(O)CNC(=O)C(O)O 240690a_100000210904_100000233687 [0,0,0,0,0,1|1,0,2]=4 696 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,0,0,0,0,1|2,0,1]=4 697 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,0,0,0,0,1|2,0,1]=4 698 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,1|2,0,1]=4 699 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,1|2,0,1]=4 700 B9R0.7 NC(=O)C(=O)NCC(F)F 240690a_100000765723_100011215815 [0,0,0,0,0,1|3,0,0]=4 701 B9R0.53 C=C(C)CC(=O)CC(=O)N 1458a_100134613110_100000748629 [0,0,0,0,0,1|1,0,2]=4 702 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,0,0,0,0,1|2,0,0]=3 703 B9R0.53 C=C(C)CC(=O)CN(C)C 1458a_100000750896_100000748629 [0,0,0,0,0,1|3,0,0]=4 704 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,0,0,0,0,1|3,0,0]=4 705 B9R0.53 C=C(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748629 [0,0,0,0,0,1|3,0,0]=4 706 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,0,0,0,0,1|2,0,0]=3 707 B9R0.53 C=C(F)CC(=O)CN(C)C 1458a_100000750896_100009893438 [0,0,0,0,0,1|3,0,0]=4 708 B9R0.53 C=C(F)CC(=O)C[C@@H](C)O 1458a_100011933948_100009893438 [0,0,0,0,0,1|3,0,0]=4 709 B9R0.53 C=C(F)CC(=O)C[S+](C)C 1458a_200159257847_100009893438 [0,0,0,0,0,1|3,0,0]=4 710 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,0,0,0,0,1|1,0,2]=4 711 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,0,0,0,0,1|0,0,3]=4 712 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,0,0,0,0,1|2,0,0]=3 713 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,0,0,0,0,1|2,0,0]=3 714 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,0,0,0,0,1|2,0,0]=3 715 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,0,0,0,0,1|3,0,0]=4 716 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,0,0,0,0,1|3,0,0]=4 717 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,0,0,0,0,1|3,0,0]=4 718 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,0,0,0,0,1|3,0,0]=4 719 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,0,0,0,0,1|3,0,0]=4 720 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,0,0,0,0,1|3,0,0]=4 721 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,0,0,0,0,1|3,0,0]=4 722 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,0,0,0,0,1|3,0,0]=4 723 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,0,0,0,0,1|3,0,0]=4 724 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,0,0,0,0,1|3,0,0]=4 725 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,0,0,0,0,1|3,0,0]=4 726 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,0,0,0,0,1|2,0,1]=4 727 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,0,0,0,0,1|2,0,1]=4 728 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,0,0,0,0,1|2,0,0]=3 729 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,0,0,0,0,1|2,0,0]=3 730 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,0,0,0,0,1|2,0,0]=3 731 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,0,0,0,0,1|2,0,1]=4 732 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,0,0,0,0,1|2,0,1]=4 733 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,0,0,0,0,1|2,0,1]=4 734 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,0,0,0,0,1|2,0,1]=4 735 B9R0.53 CC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210624 [0,0,0,0,0,1|2,0,0]=3 736 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,0,0,0,0,1|1,0,0]=2 737 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,0,0,0,0,1|1,0,0]=2 738 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,0,0,0,0,1|0,0,1]=2 739 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,0,0,0,0,1|2,0,1]=4 740 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,0,0,0,0,1|1,0,1]=3 741 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [0,0,0,0,0,1|2,0,1]=4 742 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,0,0,0,0,1|3,0,0]=4 743 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,0,0,0,0,1|1,0,1]=3 744 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,0,0,0,0,1|1,0,1]=3 745 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,0,0,0,0,1|3,0,0]=4 746 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,0,0,0,0,1|2,0,1]=4 747 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,0,0,0,0,1|2,0,1]=4 748 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,0,0,0,0,1|2,0,1]=4 749 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,0,0,0,0,1|2,0,1]=4 750 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,0,0,0,0,1|3,0,0]=4 751 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,0,0,0,0,1|3,0,0]=4 752 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,0,0,0,0,1|3,0,0]=4 753 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,0,0,0,0,1|3,0,0]=4 754 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,0,0,0,0,1|2,0,0]=3 755 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,0,0,0,0,1|2,0,1]=4 756 B9R0.53 CC(C)NC(=O)C=C(Cl)Cl 1626a_100138425928_100000137448 [0,0,0,0,0,1|3,0,0]=4 757 B9R0.53 CC(C)NC(=O)C=C(Cl)Cl 240690a_100138425928_100000137448 [0,0,0,0,0,1|3,0,0]=4 758 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,0,0,0,0,1|2,0,0]=3 759 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,0,0,0,0,1|2,0,0]=3 760 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,0,0,0,0,1|2,0,1]=4 761 B9R0.53 CC(O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011218427 [0,0,0,0,0,1|3,0,0]=4 762 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,0,0,0,0,1|2,0,0]=3 763 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,0,0,0,0,1|2,0,1]=4 764 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,0,0,0,0,1|2,0,1]=4 765 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,0,0,0,0,1|2,0,1]=4 766 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,0,0,0,0,1|3,0,0]=4 767 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,0,0,0,0,1|2,0,0]=3 768 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,0,0,0,0,1|1,0,1]=3 769 B9R0.53 CN(C)CC(=O)C[N+](=O)[O-] 1458a_100000750896_100000761209 [0,0,0,0,0,1|2,0,1]=4 770 B9R0.53 CN(C)CC(=O)NC(=O)N 2230a_100102631434_100000182717 [0,0,0,0,0,1|2,0,0]=3 771 B9R0.53 CN(C)CC(=O)NC(=O)N 269982a_100102631434_100000182717 [0,0,0,0,0,1|2,0,0]=3 772 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,0,0,0,0,1|2,0,0]=3 773 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,0,0,0,0,1|1,0,1]=3 774 B9R0.53 C[C@@H](O)CC(=O)C[N+](=O)[O-] 1458a_100011933948_100000761209 [0,0,0,0,0,1|2,0,1]=4 775 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,0,0,0,0,1|3,0,0]=4 776 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,0,0,0,0,1|2,0,0]=3 777 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,0,0,0,0,1|1,0,1]=3 778 B9R0.53 C[S+](C)CC(=O)C[N+](=O)[O-] 1458a_200159257847_100000761209 [0,0,0,0,0,1|2,0,1]=4 779 B9R0.53 NC(=O)CC(=O)CC(F)F 1458a_100134613110_100011934356 [0,0,0,0,0,1|3,0,0]=4 780 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|1,0,1]=4 781 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,0]=3 782 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [2,0,0,0,0,0|2,0,0]=4 783 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|2,0,0]=4 784 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|2,0,0]=4 785 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,1]=4 786 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,1]=4 787 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 788 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|0,0,1]=3 789 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|2,0,0]=4 790 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 791 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 792 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 793 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 794 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 795 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|1,0,1]=4 796 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|1,0,1]=4 797 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [2,0,0,0,0,0|2,0,0]=4 798 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [2,0,0,0,0,0|2,0,0]=4 799 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [2,0,0,0,0,0|2,0,0]=4 800 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [2,0,0,0,0,0|2,0,0]=4 801 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [2,0,0,0,0,0|2,0,0]=4 802 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [2,0,0,0,0,0|2,0,0]=4 803 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [2,0,0,0,0,0|2,0,0]=4 804 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [2,0,0,0,0,0|2,0,0]=4 805 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|0,0,1]=3 806 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|0,0,1]=3 807 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|1,0,1]=4 808 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [2,0,0,0,0,0|1,0,1]=4 809 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|1,0,1]=4 810 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [2,0,0,0,0,0|1,0,1]=4 811 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [2,0,0,0,0,0|1,0,1]=4 812 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [2,0,0,0,0,0|1,0,1]=4 813 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [2,0,0,0,0,0|1,0,1]=4 814 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [2,0,0,0,0,0|1,0,1]=4 815 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|0,0,1]=3 816 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [2,0,0,0,0,0|2,0,0]=4 817 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [2,0,0,0,0,0|2,0,0]=4 818 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [2,0,0,0,0,0|2,0,0]=4 819 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|1,0,0]=3 820 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [2,0,0,0,0,0|1,0,1]=4 821 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [2,0,0,0,0,0|1,0,1]=4 822 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [2,0,0,0,0,0|2,0,0]=4 823 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|1,0,0]=3 824 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|1,0,1]=4 825 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [2,0,0,0,0,0|1,0,1]=4 826 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [2,0,0,0,0,0|2,0,0]=4 827 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [2,0,0,0,0,0|1,0,1]=4 828 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [2,0,0,0,0,0|1,0,1]=4 829 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [2,0,0,0,0,0|1,0,1]=4 830 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [2,0,0,0,0,0|1,0,1]=4 831 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [2,0,0,0,0,0|1,0,1]=4 832 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [2,0,0,0,0,0|2,0,0]=4 833 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 834 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 835 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,1]=4 836 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,1]=4 837 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,1]=4 838 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 839 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 840 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 841 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 842 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 843 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [2,0,0,0,0,0|2,0,0]=4 844 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [2,0,0,0,0,0|0,0,2]=4 845 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [2,0,0,0,0,0|1,0,1]=4 846 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [2,0,0,0,0,0|1,0,1]=4 847 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [2,0,0,0,0,0|2,0,0]=4 848 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [2,0,0,0,0,0|2,0,0]=4 849 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [2,0,0,0,0,0|2,0,0]=4 850 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [1,1,0,0,0,0|2,0,0]=4 851 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [1,1,0,0,0,0|2,0,0]=4 852 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [1,1,0,0,0,0|1,0,1]=4 853 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [1,1,0,0,0,0|1,0,1]=4 854 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [1,1,0,0,0,0|1,0,1]=4 855 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [1,1,0,0,0,0|1,0,1]=4 856 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [1,1,0,0,0,0|1,0,1]=4 857 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [1,1,0,0,0,0|1,0,1]=4 858 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [1,1,0,0,0,0|2,0,0]=4 859 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [1,1,0,0,0,0|2,0,0]=4 860 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [1,1,0,0,0,0|2,0,0]=4 861 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [1,1,0,0,0,0|2,0,0]=4 862 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [1,1,0,0,0,0|2,0,0]=4 863 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [1,1,0,0,0,0|1,0,1]=4 864 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [1,1,0,0,0,0|1,0,1]=4 865 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [1,1,0,0,0,0|1,0,0]=3 866 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [1,1,0,0,0,0|1,0,0]=3 867 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [1,1,0,0,0,0|2,0,0]=4 868 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [1,1,0,0,0,0|2,0,0]=4 869 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [1,1,0,0,0,0|2,0,0]=4 870 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [1,1,0,0,0,0|2,0,0]=4 871 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [1,1,0,0,0,0|2,0,0]=4 872 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [1,1,0,0,0,0|2,0,0]=4 873 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [1,1,0,0,0,0|2,0,0]=4 874 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [1,1,0,0,0,0|2,0,0]=4 875 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [1,1,0,0,0,0|2,0,0]=4 876 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [1,1,0,0,0,0|2,0,0]=4 877 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [1,1,0,0,0,0|1,0,1]=4 878 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [1,1,0,0,0,0|1,0,0]=3 879 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [1,1,0,0,0,0|1,0,0]=3 880 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [1,1,0,0,0,0|1,0,0]=3 881 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [1,1,0,0,0,0|1,0,1]=4 882 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [1,1,0,0,0,0|1,0,1]=4 883 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [1,1,0,0,0,0|1,0,1]=4 884 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,1,0,0,0,0|0,0,1]=3 885 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,1,0,0,0,0|0,0,1]=3 886 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [1,1,0,0,0,0|2,0,0]=4 887 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [1,1,0,0,0,0|2,0,0]=4 888 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [1,1,0,0,0,0|2,0,0]=4 889 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [1,1,0,0,0,0|2,0,0]=4 890 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [1,1,0,0,0,0|2,0,0]=4 891 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [1,1,0,0,0,0|2,0,0]=4 892 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [1,1,0,0,0,0|2,0,0]=4 893 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [1,1,0,0,0,0|2,0,0]=4 894 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [1,1,0,0,0,0|1,0,1]=4 895 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [1,1,0,0,0,0|2,0,0]=4 896 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [1,1,0,0,0,0|2,0,0]=4 897 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [1,1,0,0,0,0|2,0,0]=4 898 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,1,0,0,0,0|1,0,1]=4 899 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,1,0,0,0,0|1,0,0]=3 900 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,1,0,0,0,0|2,0,0]=4 901 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [1,1,0,0,0,0|2,0,0]=4 902 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [1,1,0,0,0,0|2,0,0]=4 903 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [1,1,0,0,0,0|2,0,0]=4 904 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,1,0,0,0,0|1,0,1]=4 905 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,1,0,0,0,0|1,0,1]=4 906 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,1,0,0,0,0|1,0,1]=4 907 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,1,0,0,0,0|1,0,1]=4 908 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,1,0,0,0,0|1,0,1]=4 909 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [1,1,0,0,0,0|1,0,1]=4 910 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [1,1,0,0,0,0|1,0,1]=4 911 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [1,1,0,0,0,0|1,0,1]=4 912 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [1,1,0,0,0,0|2,0,0]=4 913 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [1,1,0,0,0,0|0,0,1]=3 914 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,1,0,0,0,0|1,0,1]=4 915 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [1,1,0,0,0,0|1,0,1]=4 916 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [1,1,0,0,0,0|1,0,1]=4 917 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [1,1,0,0,0,0|1,0,1]=4 918 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [1,1,0,0,0,0|1,0,1]=4 919 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [1,1,0,0,0,0|1,0,1]=4 920 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [1,1,0,0,0,0|1,0,1]=4 921 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,1,0,0,0,0|0,1,1]=4 922 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,1,0,0,0,0|1,0,1]=4 923 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [1,1,0,0,0,0|1,0,1]=4 924 B8R0.16 CC(C)NC(C=O)C=O 2230a_100138425928_100000736813 [1,1,0,0,0,0|1,0,1]=4 925 B8R0.16 CC(C)NC(C=O)C=O 34a_100138425928_100000736813 [1,1,0,0,0,0|1,0,1]=4 926 B8R0.16 CC(C)OC(C=O)C=O 34a_100000212225_100000736813 [1,1,0,0,0,0|1,0,1]=4 927 B8R0.16 CC(C)SC(C=O)C=O 62a_100000210206_100000736813 [1,1,0,0,0,0|1,0,1]=4 928 B8R0.16 CC(C)SC(C=O)C=O 62a_100000736813_100000210206 [1,1,0,0,0,0|1,0,1]=4 929 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|1,0,1]=4 930 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|1,0,1]=4 931 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [1,1,0,0,0,0|1,0,1]=4 932 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|1,0,0]=3 933 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|2,0,0]=4 934 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|1,0,0]=3 935 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,1,0,0,0,0|1,0,0]=3 936 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [1,1,0,0,0,0|2,0,0]=4 937 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [1,1,0,0,0,0|2,0,0]=4 938 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [1,1,0,0,0,0|2,0,0]=4 939 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [1,1,0,0,0,0|2,0,0]=4 940 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [1,1,0,0,0,0|2,0,0]=4 941 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,1]=4 942 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,1]=4 943 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,1]=4 944 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,1]=4 945 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,1]=4 946 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|0,0,1]=3 947 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|2,0,0]=4 948 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 949 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 950 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 951 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|1,0,1]=4 952 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|1,0,1]=4 953 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,1]=4 954 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|0,0,1]=3 955 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 956 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|2,0,0]=4 957 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 958 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|2,0,0]=4 959 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|2,0,0]=4 960 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|2,0,0]=4 961 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|2,0,0]=4 962 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|2,0,0]=4 963 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|0,0,1]=3 964 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [1,1,0,0,0,0|1,0,1]=4 965 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [1,1,0,0,0,0|1,0,1]=4 966 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [1,1,0,0,0,0|1,0,1]=4 967 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [1,1,0,0,0,0|1,0,1]=4 968 B8R0.24 C=CC(=O)C[Si](C)(C)C 1458a_100000185746_100000233785 [1,1,0,0,0,0|1,1,0]=4 969 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [1,1,0,0,0,0|2,0,0]=4 970 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [1,1,0,0,0,0|2,0,0]=4 971 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [1,1,0,0,0,0|1,0,1]=4 972 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [1,1,0,0,0,0|1,0,1]=4 973 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [1,1,0,0,0,0|1,0,1]=4 974 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [1,1,0,0,0,0|1,0,1]=4 975 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [1,1,0,0,0,0|1,0,1]=4 976 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [1,1,0,0,0,0|1,0,1]=4 977 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [1,1,0,0,0,0|2,0,0]=4 978 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [1,1,0,0,0,0|2,0,0]=4 979 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [1,1,0,0,0,0|2,0,0]=4 980 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [1,1,0,0,0,0|2,0,0]=4 981 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [1,1,0,0,0,0|2,0,0]=4 982 B8R0.24 C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000233785 [1,1,0,0,0,0|0,1,1]=4 983 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,1,0,0,0,0|2,0,0]=4 984 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,1,0,0,0,0|2,0,0]=4 985 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|2,0,0]=4 986 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,1,0,0,0,0|2,0,0]=4 987 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,1,0,0,0,0|2,0,0]=4 988 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,1,0,0,0,0|2,0,0]=4 989 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,1,0,0,0,0|2,0,0]=4 990 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,0]=3 991 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,1,0,0,0,0|1,0,1]=4 992 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,1,0,0,0,0|1,0,1]=4 993 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,1,0,0,0,0|0,0,2]=4 994 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,1]=4 995 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 996 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 997 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|2,0,0]=4 998 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [1,1,0,0,0,0|2,0,0]=4 999 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 1000 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [1,1,0,0,0,0|2,0,0]=4 1001 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 1002 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [1,1,0,0,0,0|2,0,0]=4 1003 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 1004 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,1,0,0,0,0|1,0,0]=3 1005 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,1,0,0,0,0|1,0,0]=3 1006 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,1,0,0,0,0|1,0,0]=3 1007 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,1,0,0,0,0|2,0,0]=4 1008 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,1,0,0,0,0|2,0,0]=4 1009 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,1,0,0,0,0|2,0,0]=4 1010 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [1,1,0,0,0,0|2,0,0]=4 1011 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [1,1,0,0,0,0|2,0,0]=4 1012 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,1,0,0,0,0|1,0,0]=3 1013 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,1,0,0,0,0|1,0,0]=3 1014 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,1,0,0,0,0|1,0,0]=3 1015 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,1,0,0,0,0|1,0,0]=3 1016 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,1,0,0,0,0|1,0,0]=3 1017 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|1,0,0]=3 1018 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [1,1,0,0,0,0|2,0,0]=4 1019 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [1,1,0,0,0,0|2,0,0]=4 1020 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|2,0,0]=4 1021 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,1,0,0,0,0|2,0,0]=4 1022 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,1,0,0,0,0|2,0,0]=4 1023 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|2,0,0]=4 1024 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|2,0,0]=4 1025 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 1026 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 1027 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [1,1,0,0,0,0|2,0,0]=4 1028 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [1,1,0,0,0,0|2,0,0]=4 1029 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [1,1,0,0,0,0|2,0,0]=4 1030 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [1,1,0,0,0,0|2,0,0]=4 1031 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [1,1,0,0,0,0|2,0,0]=4 1032 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [1,1,0,0,0,0|2,0,0]=4 1033 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|2,0,0]=4 1034 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|2,0,0]=4 1035 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|0,0,2]=4 1036 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|1,0,1]=4 1037 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|1,0,1]=4 1038 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|1,0,0]=3 1039 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [1,1,0,0,0,0|1,0,0]=3 1040 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|1,0,0]=3 1041 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [1,1,0,0,0,0|0,0,2]=4 1042 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|1,0,1]=4 1043 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|1,0,1]=4 1044 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|1,0,1]=4 1045 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|1,0,1]=4 1046 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|1,0,1]=4 1047 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|1,0,1]=4 1048 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [1,1,0,0,0,0|2,0,0]=4 1049 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|1,0,0]=3 1050 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|1,0,0]=3 1051 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|1,0,0]=3 1052 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [1,1,0,0,0,0|0,0,2]=4 1053 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|1,0,1]=4 1054 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|1,0,1]=4 1055 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [1,1,0,0,0,0|0,0,2]=4 1056 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|1,0,1]=4 1057 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|1,0,1]=4 1058 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|1,0,1]=4 1059 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,0,1]=4 1060 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|1,0,1]=4 1061 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,0,1]=4 1062 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [1,1,0,0,0,0|2,0,0]=4 1063 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [1,1,0,0,0,0|2,0,0]=4 1064 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [1,1,0,0,0,0|0,0,2]=4 1065 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [1,1,0,0,0,0|0,0,2]=4 1066 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [1,1,0,0,0,0|1,0,1]=4 1067 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1068 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1069 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,1,0,0,0,0|1,0,1]=4 1070 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|1,0,1]=4 1071 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [1,1,0,0,0,0|2,0,0]=4 1072 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [1,1,0,0,0,0|2,0,0]=4 1073 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,1,0,0,0,0|2,0,0]=4 1074 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,1,0,0,0,0|2,0,0]=4 1075 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [1,1,0,0,0,0|1,0,1]=4 1076 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|1,0,1]=4 1077 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|0,0,1]=3 1078 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,1,0,0,0,0|1,0,0]=3 1079 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,1,0,0,0,0|1,0,0]=3 1080 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [1,1,0,0,0,0|2,0,0]=4 1081 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,1]=4 1082 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 1083 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 1084 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|1,0,1]=4 1085 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,1]=4 1086 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,1]=4 1087 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 1088 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 1089 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 1090 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 1091 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,1]=4 1092 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,1]=4 1093 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 1094 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 1095 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 1096 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|2,0,0]=4 1097 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,1,0,0,0,0|1,0,1]=4 1098 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [1,1,0,0,0,0|1,0,1]=4 1099 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [1,1,0,0,0,0|1,0,1]=4 1100 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [1,1,0,0,0,0|1,0,1]=4 1101 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,1]=4 1102 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 1103 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 1104 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 1105 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 1106 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 1107 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 1108 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 1109 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 1110 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 1111 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,1,0,0,0,0|2,0,0]=4 1112 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|1,0,1]=4 1113 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|1,0,1]=4 1114 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|1,0,1]=4 1115 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|1,0,1]=4 1116 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|1,0,1]=4 1117 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|1,0,1]=4 1118 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|1,0,1]=4 1119 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|1,0,1]=4 1120 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|1,0,1]=4 1121 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,1,0,0,0,0|1,0,1]=4 1122 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 1123 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 1124 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 1125 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,1,0,0,0,0|2,0,0]=4 1126 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,1,0,0,0,0|1,0,1]=4 1127 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [1,1,0,0,0,0|1,0,1]=4 1128 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [1,1,0,0,0,0|1,0,1]=4 1129 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [1,1,0,0,0,0|2,0,0]=4 1130 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [1,1,0,0,0,0|2,0,0]=4 1131 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [1,1,0,0,0,0|2,0,0]=4 1132 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [1,1,0,0,0,0|2,0,0]=4 1133 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [1,1,0,0,0,0|2,0,0]=4 1134 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [1,1,0,0,0,0|2,0,0]=4 1135 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [1,1,0,0,0,0|2,0,0]=4 1136 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [1,1,0,0,0,0|2,0,0]=4 1137 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [1,1,0,0,0,0|2,0,0]=4 1138 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [1,1,0,0,0,0|2,0,0]=4 1139 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [1,1,0,0,0,0|2,0,0]=4 1140 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [1,1,0,0,0,0|1,0,1]=4 1141 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [1,1,0,0,0,0|1,0,1]=4 1142 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,0,0,1,0|1,0,1]=4 1143 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,0,0,1,0|1,0,1]=4 1144 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [0,1,0,0,1,0|1,0,1]=4 1145 B10R0.12 CC(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000210312 [0,1,0,0,0,1|1,0,1]=4 1146 B10R0.12 CC(C)CNC(=O)C(C)(C)O 240690a_100000210953_100000242741 [0,1,0,0,0,1|1,0,1]=4 1147 B10R0.13 C=C(Br)C(=O)N(C)CC(C)C 11a_100000747067_100009813364 [0,1,0,0,0,1|2,0,0]=4 1148 B10R0.13 C=C(Br)C(=O)N(C)CC(C)C 1626a_100000747067_100009813364 [0,1,0,0,0,1|2,0,0]=4 1149 B10R0.13 C=C(C)C(=O)C(C)CC(C)C 1458a_100000185857_100000731052 [0,1,0,0,0,1|2,0,0]=4 1150 B10R0.13 C=C(C)C(=O)N(C)CC(C)C 11a_100000747067_100000185857 [0,1,0,0,0,1|2,0,0]=4 1151 B10R0.13 C=C(C)C(=O)N(C)CC(C)C 1626a_100000747067_100000185857 [0,1,0,0,0,1|2,0,0]=4 1152 B10R0.13 C=C(Cl)C(=O)N(C)CC(C)C 11a_100000747067_100000039160 [0,1,0,0,0,1|2,0,0]=4 1153 B10R0.13 C=C(Cl)C(=O)N(C)CC(C)C 1626a_100000747067_100000039160 [0,1,0,0,0,1|2,0,0]=4 1154 B10R0.13 C=C(F)C(=O)N(C)CC(C)C 11a_100000747067_100000036797 [0,1,0,0,0,1|2,0,0]=4 1155 B10R0.13 C=C(F)C(=O)N(C)CC(C)C 1626a_100000747067_100000036797 [0,1,0,0,0,1|2,0,0]=4 1156 B10R0.13 CC(C)CC(C)C(=O)C(O)O 1458a_100000233687_100000731052 [0,1,0,0,0,1|0,0,2]=4 1157 B10R0.13 CC(C)CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000731052 [0,1,0,0,0,1|1,0,1]=4 1158 B10R0.13 CC(C)CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000731052 [0,1,0,0,0,1|1,0,1]=4 1159 B10R0.13 CC(C)CN(C)C(=O)C(=O)N 240690a_100000747067_100011215815 [0,1,0,0,0,1|1,0,0]=3 1160 B10R0.13 CC(C)CN(C)C(=O)C(O)O 240690a_100000747067_100000233687 [0,1,0,0,0,1|0,0,2]=4 1161 B10R0.13 CC(C)CN(C)C(=O)[C@@H](C)O 240690a_100000747067_100000717761 [0,1,0,0,0,1|1,0,1]=4 1162 B10R0.13 CC(C)CN(C)C(=O)[C@H](C)O 1626a_100000747067_217856618621 [0,1,0,0,0,1|1,0,1]=4 1163 B10R0.13 CC(C)CN(C)C(=O)[C@H](C)O 240690a_100000747067_217856618621 [0,1,0,0,0,1|1,0,1]=4 1164 B10R0.13 CC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000210760 [0,1,0,0,0,1|1,0,1]=4 1165 B10R0.13 CC(O)CN(C)C(=O)C(=O)N 240690a_100000227577_100011215815 [0,1,0,0,0,1|2,0,0]=4 1166 B10R0.43 CC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000210206 [0,1,0,0,0,1|1,0,1]=4 1167 B10R0.43 CC(C)NCC(F)(F)C(=O)O 269956a_100000734215_100000210206 [0,1,0,0,0,1|1,0,1]=4 1168 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,1,0,0,0,1|2,0,0]=4 1169 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100020587367 [0,1,0,0,0,1|2,0,0]=4 1170 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100020587367 [0,1,0,0,0,1|2,0,0]=4 1171 B10R0.57 C=C(C)CNC(=O)C(=O)OC 11a_100000765925_100000024059 [0,1,0,0,0,1|0,0,2]=4 1172 B10R0.57 C=C(C)CNC(=O)C(=O)OC 1626a_100000765925_100000024059 [0,1,0,0,0,1|0,0,2]=4 1173 B10R0.57 C=C(C)CNC(=O)C(=O)OC 240690a_100000765925_100000024059 [0,1,0,0,0,1|0,0,2]=4 1174 B10R0.57 C=C(C)CNC(=O)C(=O)OC 527a_100000765925_100000024059 [0,1,0,0,0,1|0,0,2]=4 1175 B10R0.57 C=C(CNC(C)C)C(=O)OC 34a_100138425928_100009813391 [0,1,0,0,0,1|1,0,0]=3 1176 B10R0.57 C=C(CO)C(=O)NNC(C)C 22a_100000741168_200000705526 [0,1,0,0,0,1|2,0,0]=4 1177 B10R0.57 C=C(COC(C)C)C(=O)OC 34a_100000212225_100009813391 [0,1,0,0,0,1|1,0,0]=3 1178 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100000210206_100009813391 [0,1,0,0,0,1|1,0,0]=3 1179 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100009813391_100000210206 [0,1,0,0,0,1|1,0,0]=3 1180 B10R0.57 CC(C)CCC(=O)C(O)CO 1458a_100011215603_100000210312 [0,1,0,0,0,1|0,0,2]=4 1181 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,1,0,0,0,1|1,0,1]=4 1182 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,1,0,0,0,1|2,0,0]=4 1183 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,1,0,0,0,1|2,0,0]=4 1184 B10R0.57 CC(C)CNC(=O)C(=O)CF 1458a_200011297155_100015361967 [0,1,0,0,0,1|1,0,0]=3 1185 B10R0.57 CC(C)CNC(=O)C(O)CO 240690a_100000210953_100011215603 [0,1,0,0,0,1|0,0,2]=4 1186 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,1,0,0,0,1|1,0,0]=3 1187 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,1,0,0,0,1|1,0,1]=4 1188 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [0,1,0,0,0,1|1,0,1]=4 1189 B10R0.57 CNC(=O)C(=O)CC=C(C)C 1458a_100011218921_100000761012 [0,1,0,0,0,1|1,0,1]=4 1190 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,1,0,0,0,1|1,0,0]=3 1191 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,1,0,0,0,1|2,0,0]=4 1192 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100000210953_100011218921 [0,1,0,0,0,1|1,0,0]=3 1193 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100102657272_200011297155 [0,1,0,0,0,1|1,0,0]=3 1194 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100000210953_100011218921 [0,1,0,0,0,1|1,0,0]=3 1195 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100102657272_200011297155 [0,1,0,0,0,1|1,0,0]=3 1196 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100000210953_100011218921 [0,1,0,0,0,1|1,0,0]=3 1197 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100102657272_200011297155 [0,1,0,0,0,1|1,0,0]=3 1198 B10R0.57 CNC(=O)C(=O)NCC(C)O 240690a_100000210904_100011218921 [0,1,0,0,0,1|2,0,0]=4 1199 B10R0.57 CNC(=O)C(=O)NCC(C)O 527a_100000210904_100011218921 [0,1,0,0,0,1|2,0,0]=4 1200 B10R0.57 CNC(=O)C(=O)NNC(C)C 22a_100000741168_100011218921 [0,1,0,0,0,1|2,0,0]=4 1201 B10R0.57 COC(=O)C(=NNC(C)C)C 4a_100000741168_100000211753 [0,1,0,0,0,1|2,0,0]=4 1202 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,1,0,0,0,1|0,0,0]=2 1203 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,1,0,0,0,1|0,0,0]=2 1204 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,1,0,0,0,1|0,0,0]=2 1205 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,1,0,0,0,1|0,0,0]=2 1206 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,1,0,0,0,1|0,0,0]=2 1207 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,1,0,0,0,1|0,0,0]=2 1208 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,1,0,0,0,1|0,0,0]=2 1209 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,1,0,0,0,1|0,0,0]=2 1210 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,1,0,0,0,1|1,0,0]=3 1211 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,1,0,0,0,1|1,0,0]=3 1212 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,1,0,0,0,1|1,0,0]=3 1213 B10R0.57 COC(=O)C(=O)NCC(F)F 11a_100000765723_100000024059 [0,1,0,0,0,1|2,0,0]=4 1214 B10R0.57 COC(=O)C(=O)NCC(F)F 1626a_100000765723_100000024059 [0,1,0,0,0,1|2,0,0]=4 1215 B10R0.57 COC(=O)C(=O)NCC(F)F 240690a_100000765723_100000024059 [0,1,0,0,0,1|2,0,0]=4 1216 B10R0.57 COC(=O)C(=O)NCC(F)F 527a_100000765723_100000024059 [0,1,0,0,0,1|2,0,0]=4 1217 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,1,0,0,0,1|1,0,1]=4 1218 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,1,0,0,0,1|1,0,1]=4 1219 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,1,0,0,0,1|1,0,1]=4 1220 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,1,0,0,0,1|1,0,1]=4 1221 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,1,0,0,0,1|1,0,1]=4 1222 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,1,0,0,0,1|1,0,1]=4 1223 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,1,0,0,0,1|1,0,1]=4 1224 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,1,0,0,0,1|1,0,1]=4 1225 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,1,0,0,0,1|1,0,1]=4 1226 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,1,0,0,0,1|1,0,1]=4 1227 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,1,0,0,0,1|1,0,1]=4 1228 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,1,0,0,0,1|1,0,1]=4 1229 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,1,0,0,0,1|1,0,1]=4 1230 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,1,0,0,0,1|1,0,1]=4 1231 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,1,0,0,0,1|1,0,1]=4 1232 B10R0.57 COC(C)C(=O)NCC(C)C 11a_100000210953_100000743197 [0,1,0,0,0,1|1,0,1]=4 1233 B10R0.57 COC(C)C(=O)NCC(C)C 1626a_100000210953_100000743197 [0,1,0,0,0,1|1,0,1]=4 1234 B10R0.57 COC(C)C(=O)NCC(C)C 240690a_100000210953_100000743197 [0,1,0,0,0,1|1,0,1]=4 1235 B10R0.57 COC(C)C(=O)NCC(C)C 34a_100138415774_100000230289 [0,1,0,0,0,1|1,0,1]=4 1236 B10R0.57 COC(C)C(=O)NCC(C)C 527a_100000210953_100000743197 [0,1,0,0,0,1|1,0,1]=4 1237 B10R0.57 CON(C)C(=O)CNC(C)C 2230a_100015207273_100000210206 [0,1,0,0,0,1|2,0,0]=4 1238 B10R0.57 CON(C)C(=O)CNC(C)C 2230a_100138425928_100000764215 [0,1,0,0,0,1|2,0,0]=4 1239 B10R0.57 CON(C)C(=O)CSC(C)C 62a_100000210206_100000764215 [0,1,0,0,0,1|2,0,0]=4 1240 B10R0.57 CON(C)C(=O)CSC(C)C 62a_100000764215_100000210206 [0,1,0,0,0,1|2,0,0]=4 1241 B10R0.82 C#CC(C)NCC(=O)C(=O)C 34a_100000707721_100011261029 [0,1,0,0,0,1|1,0,1]=4 1242 B10R0.82 C#CC(C)SCC(=O)C(=O)C 62a_200000035995_100011261029 [0,1,0,0,0,1|1,0,1]=4 1243 B10R0.82 C#C[C@@H](C)OCC(=O)C(=O)C 34a_100009815206_100011261029 [0,1,0,0,0,1|1,0,1]=4 1244 B10R0.82 C=C(Br)C(=O)NCC(C)CC 11a_100020588543_100009813364 [0,1,0,0,0,1|2,0,0]=4 1245 B10R0.82 C=C(Br)C(=O)NCC(C)CC 1626a_100020588543_100009813364 [0,1,0,0,0,1|2,0,0]=4 1246 B10R0.82 C=C(Br)C(=O)NC[C@@H](C)OC 11a_100020591295_100009813364 [0,1,0,0,0,1|2,0,0]=4 1247 B10R0.82 C=C(Br)C(=O)NC[C@@H](C)OC 1626a_100020591295_100009813364 [0,1,0,0,0,1|2,0,0]=4 1248 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,1,0,0,0,1|2,0,0]=4 1249 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,1,0,0,0,1|2,0,0]=4 1250 B10R0.82 C=C(C)C(=O)NCC(C)OC 34a_100000065599_200000210301 [0,1,0,0,0,1|2,0,0]=4 1251 B10R0.82 C=C(C)C(=O)NCC(C)O[13CH3] 34a_100000065599_200025704644 [0,1,0,0,0,1|2,0,0]=4 1252 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100000185857 [0,1,0,0,0,1|2,0,0]=4 1253 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000185857 [0,1,0,0,0,1|2,0,0]=4 1254 B10R0.82 C=C(C)C(=O)OCC(C)OC 7a_100000061822_200000210301 [0,1,0,0,0,1|2,0,0]=4 1255 B10R0.82 C=C(C)C(=O)OCC(C)O[13CH3] 7a_100000061822_200025704644 [0,1,0,0,0,1|2,0,0]=4 1256 B10R0.82 C=C(Cl)C(=O)NCC(C)CC 11a_100020588543_100000039160 [0,1,0,0,0,1|2,0,0]=4 1257 B10R0.82 C=C(Cl)C(=O)NCC(C)CC 1626a_100020588543_100000039160 [0,1,0,0,0,1|2,0,0]=4 1258 B10R0.82 C=C(Cl)C(=O)NC[C@@H](C)OC 11a_100020591295_100000039160 [0,1,0,0,0,1|2,0,0]=4 1259 B10R0.82 C=C(Cl)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000039160 [0,1,0,0,0,1|2,0,0]=4 1260 B10R0.82 C=C(F)C(=O)NCC(C)CC 11a_100020588543_100000036797 [0,1,0,0,0,1|2,0,0]=4 1261 B10R0.82 C=C(F)C(=O)NCC(C)CC 1626a_100020588543_100000036797 [0,1,0,0,0,1|2,0,0]=4 1262 B10R0.82 C=C(F)C(=O)NC[C@@H](C)OC 11a_100020591295_100000036797 [0,1,0,0,0,1|2,0,0]=4 1263 B10R0.82 C=C(F)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000036797 [0,1,0,0,0,1|2,0,0]=4 1264 B10R0.82 C=CC(C)OCC(=O)C(=O)C 34a_100000695699_100011261029 [0,1,0,0,0,1|1,0,1]=4 1265 B10R0.82 C=CC(C)SCC(=O)C(=O)C 62a_100011215867_100011261029 [0,1,0,0,0,1|1,0,1]=4 1266 B10R0.82 CC(=O)C(=O)COC(C)C#N 34a_100011218135_100011261029 [0,1,0,0,0,1|1,0,1]=4 1267 B10R0.82 CC(=O)C(=O)COC(C)CF 34a_100016041109_100011261029 [0,1,0,0,0,1|1,0,0]=3 1268 B10R0.82 CC(=O)C(=O)COC(C)CN 34a_100000210904_100011261029 [0,1,0,0,0,1|1,0,0]=3 1269 B10R0.82 CC(=O)C(=O)CSC(C)C#N 62a_100000703298_100011261029 [0,1,0,0,0,1|1,0,1]=4 1270 B10R0.82 CC(=O)C(=O)CSC(C)C#N 62a_100011261029_100000703298 [0,1,0,0,0,1|1,0,1]=4 1271 B10R0.82 CC(=O)C(=O)CSC(C)CO 62a_100012180447_100011261029 [0,1,0,0,0,1|1,0,0]=3 1272 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100011261029_100016084084 [0,1,0,0,0,1|1,0,0]=3 1273 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100016084084_100011261029 [0,1,0,0,0,1|1,0,0]=3 1274 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,1|1,0,1]=4 1275 B10R0.82 CC(CO)CNC(=O)C(=O)N 240690a_100000744482_100011215815 [0,1,0,0,0,1|1,0,0]=3 1276 B10R0.82 CC(CO)CNC(=O)C(O)O 240690a_100000744482_100000233687 [0,1,0,0,0,1|0,0,2]=4 1277 B10R0.82 CC(CO)CNC(=O)[C@@H](C)O 240690a_100000744482_100000717761 [0,1,0,0,0,1|1,0,1]=4 1278 B10R0.82 CC(CO)CNC(=O)[C@H](C)O 240690a_100000744482_217856618621 [0,1,0,0,0,1|1,0,1]=4 1279 B10R0.82 CCC(C)CNC(=O)C(=O)N 240690a_100020588543_100011215815 [0,1,0,0,0,1|1,0,0]=3 1280 B10R0.82 CCC(C)CNC(=O)C(O)O 240690a_100020588543_100000233687 [0,1,0,0,0,1|0,0,2]=4 1281 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,1,0,0,0,1|1,0,1]=4 1282 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,1,0,0,0,1|1,0,1]=4 1283 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,1,0,0,0,1|1,0,1]=4 1284 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,1|1,0,1]=4 1285 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,1|1,0,1]=4 1286 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,1,0,0,0,1|1,0,1]=4 1287 B10R0.82 CCC(C)NNC(=O)C(=O)N 22a_100000718999_100011215815 [0,1,0,0,0,1|2,0,0]=4 1288 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,1,0,0,0,1|1,0,0]=3 1289 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,1,0,0,0,1|1,0,0]=3 1290 B10R0.82 CCC(O)CNC(=O)C(=O)N 240690a_100011218483_100011215815 [0,1,0,0,0,1|2,0,0]=4 1291 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,1|1,0,1]=4 1292 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,1|1,0,1]=4 1293 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,1,0,0,0,1|1,0,1]=4 1294 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100009879195_100011261029 [0,1,0,0,0,1|1,0,0]=3 1295 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100011261029_100009879195 [0,1,0,0,0,1|1,0,0]=3 1296 B10R0.82 CO[C@H](C)CNC(=O)C(=O)N 240690a_100020591295_100011215815 [0,1,0,0,0,1|1,0,0]=3 1297 B10R0.82 CO[C@H](C)CNC(=O)C(O)O 240690a_100020591295_100000233687 [0,1,0,0,0,1|0,0,2]=4 1298 B10R0.82 CO[C@H](C)CNC(=O)[C@@H](C)O 240690a_100020591295_100000717761 [0,1,0,0,0,1|1,0,1]=4 1299 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 1626a_100020591295_217856618621 [0,1,0,0,0,1|1,0,1]=4 1300 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 240690a_100020591295_217856618621 [0,1,0,0,0,1|1,0,1]=4 1301 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,1|1,0,1]=4 1302 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,1,0,0,0,1|1,0,1]=4 1303 B10R0.82 NC(=O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100011215815 [0,1,0,0,0,1|2,0,0]=4 1304 B10R0.82 NC(=O)C(=O)NC[C@H](O)CO 240690a_100020644852_100011215815 [0,1,0,0,0,1|2,0,0]=4 1305 B10R0.84 C=C[C@H](NCC(C)C)C(=O)O 269956a_100016992060_100000210760 [0,1,0,0,0,1|1,0,1]=4 1306 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,1,0,0,0,1|0,0,2]=4 1307 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,1,0,0,0,1|1,0,1]=4 1308 B10R0.92 C=C(Br)C(=O)NCC(C)(C)C 11a_100000743828_100009813364 [0,1,0,0,0,1|2,0,0]=4 1309 B10R0.92 C=C(Br)C(=O)NCC(C)(C)C 1626a_100000743828_100009813364 [0,1,0,0,0,1|2,0,0]=4 1310 B10R0.92 C=C(Br)C(=O)NCC(C)(C)F 11a_100020643315_100009813364 [0,1,0,0,0,1|2,0,0]=4 1311 B10R0.92 C=C(Br)C(=O)NCC(C)(C)F 1626a_100020643315_100009813364 [0,1,0,0,0,1|2,0,0]=4 1312 B10R0.92 C=C(Br)C(=O)NCC(C)(C)O 1626a_100000751335_100009813364 [0,1,0,0,0,1|2,0,0]=4 1313 B10R0.92 C=C(C)C(=O)CCC(C)(C)C 1458a_100000185857_100000755188 [0,1,0,0,0,1|2,0,0]=4 1314 B10R0.92 C=C(C)C(=O)NCC(C)(C)C 11a_100000743828_100000185857 [0,1,0,0,0,1|2,0,0]=4 1315 B10R0.92 C=C(C)C(=O)NCC(C)(C)C 1626a_100000743828_100000185857 [0,1,0,0,0,1|2,0,0]=4 1316 B10R0.92 C=C(C)C(=O)NCC(C)(C)F 11a_100020643315_100000185857 [0,1,0,0,0,1|2,0,0]=4 1317 B10R0.92 C=C(C)C(=O)NCC(C)(C)F 1626a_100020643315_100000185857 [0,1,0,0,0,1|2,0,0]=4 1318 B10R0.92 C=C(C)C(=O)NCC(C)(C)O 1626a_100000751335_100000185857 [0,1,0,0,0,1|2,0,0]=4 1319 B10R0.92 C=C(Cl)C(=O)NCC(C)(C)C 11a_100000743828_100000039160 [0,1,0,0,0,1|2,0,0]=4 1320 B10R0.92 C=C(Cl)C(=O)NCC(C)(C)C 1626a_100000743828_100000039160 [0,1,0,0,0,1|2,0,0]=4 1321 B10R0.92 C=C(Cl)C(=O)NCC(C)(C)F 11a_100020643315_100000039160 [0,1,0,0,0,1|2,0,0]=4 1322 B10R0.92 C=C(Cl)C(=O)NCC(C)(C)F 1626a_100020643315_100000039160 [0,1,0,0,0,1|2,0,0]=4 1323 B10R0.92 C=C(Cl)C(=O)NCC(C)(C)O 1626a_100000751335_100000039160 [0,1,0,0,0,1|2,0,0]=4 1324 B10R0.92 C=C(F)C(=O)NCC(C)(C)C 11a_100000743828_100000036797 [0,1,0,0,0,1|2,0,0]=4 1325 B10R0.92 C=C(F)C(=O)NCC(C)(C)C 1626a_100000743828_100000036797 [0,1,0,0,0,1|2,0,0]=4 1326 B10R0.92 C=C(F)C(=O)NCC(C)(C)F 11a_100020643315_100000036797 [0,1,0,0,0,1|2,0,0]=4 1327 B10R0.92 C=C(F)C(=O)NCC(C)(C)F 1626a_100020643315_100000036797 [0,1,0,0,0,1|2,0,0]=4 1328 B10R0.92 C=C(F)C(=O)NCC(C)(C)O 1626a_100000751335_100000036797 [0,1,0,0,0,1|2,0,0]=4 1329 B10R0.92 CC(=O)C(=O)COC(C)(C)C 34a_100015890283_100011261029 [0,1,0,0,0,1|1,0,0]=3 1330 B10R0.92 CC(=O)C(=O)CSC(C)(C)C 62a_100000211941_100011261029 [0,1,0,0,0,1|1,0,0]=3 1331 B10R0.92 CC(=O)C(=O)CSC(C)(C)C 62a_100011261029_100000211941 [0,1,0,0,0,1|1,0,0]=3 1332 B10R0.92 CC(C)(C)CCC(=O)C(O)O 1458a_100000233687_100000755188 [0,1,0,0,0,1|0,0,2]=4 1333 B10R0.92 CC(C)(C)CNC(=O)C(=O)N 240690a_100000743828_100011215815 [0,1,0,0,0,1|1,0,0]=3 1334 B10R0.92 CC(C)(C)CNC(=O)C(O)O 240690a_100000743828_100000233687 [0,1,0,0,0,1|0,0,2]=4 1335 B10R0.92 CC(C)(C)NCC(F)C(=O)O 269956a_100000084737_100000211941 [0,1,0,0,0,1|1,0,1]=4 1336 B10R0.92 CC(C)(C)NNC(=O)C(=O)N 22a_100000725372_100011215815 [0,1,0,0,0,1|2,0,0]=4 1337 B10R0.92 CC(C)(F)CNC(=O)C(=O)N 240690a_100020643315_100011215815 [0,1,0,0,0,1|1,0,0]=3 1338 B10R0.92 CC(C)(F)CNC(=O)C(O)O 240690a_100020643315_100000233687 [0,1,0,0,0,1|0,0,2]=4 1339 B10R0.92 CC(C)(O)CNC(=O)C(=O)N 240690a_100000751335_100011215815 [0,1,0,0,0,1|1,0,0]=3 1340 B10R0.92 CC(C)(O)CNC(=O)C(O)O 240690a_100000751335_100000233687 [0,1,0,0,0,1|0,0,2]=4 1341 B10R0.92 CC(CNC(C)(C)C)C(=O)O 269956a_100000749485_100000211941 [0,1,0,0,0,1|1,0,1]=4 1342 B10R0.92 CC(F)(F)CNC(=O)C(=O)N 240690a_100000731000_100011215815 [0,1,0,0,0,1|2,0,0]=4 1343 B10R0.92 C[C@@H](O)C(=O)CCC(C)(C)C 1458a_100000717761_100000755188 [0,1,0,0,0,1|1,0,1]=4 1344 B10R0.92 C[C@@H](O)C(=O)NCC(C)(C)C 240690a_100000743828_100000717761 [0,1,0,0,0,1|1,0,1]=4 1345 B10R0.92 C[C@@H](O)C(=O)NCC(C)(C)F 240690a_100020643315_100000717761 [0,1,0,0,0,1|1,0,1]=4 1346 B10R0.92 C[C@@H](O)C(=O)NCC(C)(C)O 240690a_100000751335_100000717761 [0,1,0,0,0,1|1,0,1]=4 1347 B10R0.92 C[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743915_100011219605 [0,1,0,0,0,1|1,0,1]=4 1348 B10R0.92 C[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743915_100011997219 [0,1,0,0,0,1|1,0,1]=4 1349 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,1,0,0,0,1|1,0,1]=4 1350 B10R0.92 C[C@H](O)C(=O)CCC(C)(C)C 1458a_217856618621_100000755188 [0,1,0,0,0,1|1,0,1]=4 1351 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)C 1626a_100000743828_217856618621 [0,1,0,0,0,1|1,0,1]=4 1352 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)C 240690a_100000743828_217856618621 [0,1,0,0,0,1|1,0,1]=4 1353 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)F 1626a_100020643315_217856618621 [0,1,0,0,0,1|1,0,1]=4 1354 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)F 240690a_100020643315_217856618621 [0,1,0,0,0,1|1,0,1]=4 1355 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)O 1626a_100000751335_217856618621 [0,1,0,0,0,1|1,0,1]=4 1356 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)O 240690a_100000751335_217856618621 [0,1,0,0,0,1|1,0,1]=4 1357 B10R0.92 C[Si](C)(C)CNC(=O)C(=O)N 240690a_102516607284_100011215815 [0,1,0,0,0,1|1,1,0]=4 1358 B10R0.93 C=C(Br)C(=O)NC(C)C(C)C 11a_100000211541_100009813364 [0,1,0,0,0,1|2,0,0]=4 1359 B10R0.93 C=C(Br)C(=O)NC(C)C(C)C 1626a_100000211541_100009813364 [0,1,0,0,0,1|2,0,0]=4 1360 B10R0.93 C=C(C)C(=O)CC(=O)C(C)C 1458a_100000185857_100000753385 [0,1,0,0,0,1|2,0,0]=4 1361 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 11a_100000211541_100000185857 [0,1,0,0,0,1|2,0,0]=4 1362 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 1626a_100000211541_100000185857 [0,1,0,0,0,1|2,0,0]=4 1363 B10R0.93 C=C(Cl)C(=O)NC(C)C(C)C 11a_100000211541_100000039160 [0,1,0,0,0,1|2,0,0]=4 1364 B10R0.93 C=C(Cl)C(=O)NC(C)C(C)C 1626a_100000211541_100000039160 [0,1,0,0,0,1|2,0,0]=4 1365 B10R0.93 C=C(F)C(=O)NC(C)C(C)C 11a_100000211541_100000036797 [0,1,0,0,0,1|2,0,0]=4 1366 B10R0.93 C=C(F)C(=O)NC(C)C(C)C 1626a_100000211541_100000036797 [0,1,0,0,0,1|2,0,0]=4 1367 B10R0.93 CC(=O)C(=O)CC(=O)C(C)C 1458a_100000210198_100011261029 [0,1,0,0,0,1|1,0,0]=3 1368 B10R0.93 CC(=O)C(=O)CC(=O)C(C)F 1458a_100000062450_100011261029 [0,1,0,0,0,1|2,0,0]=4 1369 B10R0.93 CC(=O)C(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100011261029 [0,1,0,0,0,1|2,0,0]=4 1370 B10R0.93 CC(=O)C(=O)CC(=O)[C@H](C)O 1458a_217856618621_100011261029 [0,1,0,0,0,1|2,0,0]=4 1371 B10R0.93 CC(=O)C(=O)CN(C)C(C)C 269982a_200000211004_100011261029 [0,1,0,0,0,1|1,0,0]=3 1372 B10R0.93 CC(C)C(=O)CC(=O)C(O)O 1458a_100000233687_100000753385 [0,1,0,0,0,1|0,0,2]=4 1373 B10R0.93 CC(C)C(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000753385 [0,1,0,0,0,1|1,0,1]=4 1374 B10R0.93 CC(C)C(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000753385 [0,1,0,0,0,1|1,0,1]=4 1375 B10R0.93 CC(C)C(C)NC(=O)C(=O)N 240690a_100000211541_100011215815 [0,1,0,0,0,1|1,0,0]=3 1376 B10R0.93 CC(C)C(C)NC(=O)C(O)O 240690a_100000211541_100000233687 [0,1,0,0,0,1|0,0,2]=4 1377 B10R0.93 CC(C)C(C)NC(=O)[C@@H](C)O 240690a_100000211541_100000717761 [0,1,0,0,0,1|1,0,1]=4 1378 B10R0.93 CC(C)C(C)NC(=O)[C@H](C)O 1626a_100000211541_217856618621 [0,1,0,0,0,1|1,0,1]=4 1379 B10R0.93 CC(C)C(C)NC(=O)[C@H](C)O 240690a_100000211541_217856618621 [0,1,0,0,0,1|1,0,1]=4 1380 B10R0.31 C=C(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000748629 [0,1,0,0,0,1|2,0,0]=4 1381 B10R0.31 C=C(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748629 [0,1,0,0,0,1|2,0,0]=4 1382 B10R0.31 C=C(F)CC(=O)CC(C)(C)C 1458a_100000211214_100009893438 [0,1,0,0,0,1|2,0,0]=4 1383 B10R0.31 C=C(F)CC(=O)CC(C)(C)O 1458a_100000693243_100009893438 [0,1,0,0,0,1|2,0,0]=4 1384 B10R0.31 CC(=O)CC(=O)NC(C)(C)C 1458a_100000070787_100000182746 [0,1,0,0,0,1|2,0,0]=4 1385 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_200000210301 [0,1,0,0,0,1|2,0,0]=4 1386 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000070787_100000183872 [0,1,0,0,0,1|2,0,0]=4 1387 B10R0.31 CC(C)(C)CC(=O)CC(=O)N 1458a_100000211214_100000187820 [0,1,0,0,0,1|1,0,0]=3 1388 B10R0.31 CC(C)(C)CC(=O)CC(=O)[O-] 1458a_100000211214_100020667443 [0,1,0,0,0,1|0,0,1]=3 1389 B10R0.31 CC(C)(C)CC(=O)C[N+](=O)[O-] 1458a_100000211214_100000761209 [0,1,0,0,0,1|1,0,1]=4 1390 B10R0.31 CC(C)(C)NC(=O)CC(=O)N 240690a_100000715429_100134613110 [0,1,0,0,0,1|2,0,0]=4 1391 B10R0.31 CC(C)(C)NC(=O)CC(=O)N 527a_100000715429_100134613110 [0,1,0,0,0,1|2,0,0]=4 1392 B10R0.31 CC(C)(C)OC(=O)CC(=O)[13CH3] 1458a_100000033093_200025704644 [0,1,0,0,0,1|2,0,0]=4 1393 B10R0.31 CC(C)(O)CC(=O)CC(=O)N 1458a_100000693243_100000187820 [0,1,0,0,0,1|1,0,0]=3 1394 B10R0.31 CC(C)(O)CC(=O)CC(=O)[O-] 1458a_100000693243_100020667443 [0,1,0,0,0,1|0,0,1]=3 1395 B10R0.31 CC(C)(O)CC(=O)C[N+](=O)[O-] 1458a_100000693243_100000761209 [0,1,0,0,0,1|1,0,1]=4 1396 B10R0.31 CC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000210624 [0,1,0,0,0,1|1,0,1]=4 1397 B10R0.31 CC(C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000210624 [0,1,0,0,0,1|1,0,1]=4 1398 B10R0.31 CC(C)CC(=O)CS(=O)(=O)N 1458a_100000210554_100000741382 [0,1,0,0,0,1|1,0,1]=4 1399 B10R0.31 CC(C)CC(=O)CS(=O)(=O)[O-] 1458a_100000210554_100009817235 [0,1,0,0,0,1|1,0,1]=4 1400 B10R0.31 CC(C)CC(=O)NS(=O)(=O)C 2740a_100000171171_100000210554 [0,1,0,0,0,1|1,0,1]=4 1401 B10R0.31 CC(O)CC(=O)CC(C)(C)C 1458a_100000211214_100011218427 [0,1,0,0,0,1|1,0,1]=4 1402 B10R0.31 CC(O)CC(=O)CC(C)(C)O 1458a_100000693243_100011218427 [0,1,0,0,0,1|1,0,1]=4 1403 B10R0.31 CN(CC(=O)O)CC(C)(C)C 269956a_100000746989_100011219605 [0,1,0,0,0,1|2,0,0]=4 1404 B10R0.31 CN(CC(=O)O)CC(C)(C)F 269956a_100000746989_100011997219 [0,1,0,0,0,1|2,0,0]=4 1405 B10R0.31 CN(CC(=O)O)CC(C)(C)O 269956a_100000746989_100000764493 [0,1,0,0,0,1|2,0,0]=4 1406 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)N 1458a_100000033712_100000187820 [0,1,0,0,0,1|2,0,0]=4 1407 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)[O-] 1458a_100000033712_100020667443 [0,1,0,0,0,1|1,0,1]=4 1408 B10R0.31 C[Si](C)(C)CC(=O)CC(=O)N 1458a_100011218504_100000187820 [0,1,0,0,0,1|1,1,0]=4 1409 B10R0.31 C[Si](C)(C)CC(=O)CC(=O)N 1458a_100134613110_100000233785 [0,1,0,0,0,1|1,1,0]=4 1410 B10R0.31 C[Si](C)(C)CC(=O)CC(=O)[O-] 1458a_100011218504_100020667443 [0,1,0,0,0,1|0,1,1]=4 1411 B10R0.44 C#CC(=O)CC(=O)NC(C)C 1458a_100000211873_100000183996 [0,1,0,0,0,1|2,0,0]=4 1412 B10R0.44 C#CC(=O)CC(=O)OC(C)C 1458a_100000211873_100011215430 [0,1,0,0,0,1|2,0,0]=4 1413 B10R0.44 C=C(C#N)CC(=O)CC(C)C 1458a_100000210554_100000694840 [0,1,0,0,0,1|2,0,0]=4 1414 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [0,1,0,0,0,1|0,0,2]=4 1415 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,1,0,0,0,1|2,0,0]=4 1416 B10R0.44 C=C(F)CC(=O)CC(C)CC 1458a_100000708755_100009893438 [0,1,0,0,0,1|2,0,0]=4 1417 B10R0.44 C=CC(=O)CC(=O)NC(C)C 1458a_100000185746_100000183996 [0,1,0,0,0,1|2,0,0]=4 1418 B10R0.44 C=CC(=O)CC(=O)OC(C)C 1458a_100000185746_100011215430 [0,1,0,0,0,1|2,0,0]=4 1419 B10R0.44 C=CC(C)CC(=O)CC(=O)N 1458a_100011934298_100000187820 [0,1,0,0,0,1|1,0,1]=4 1420 B10R0.44 C=CC(C)CC(=O)CC(=O)[O-] 1458a_100011934298_100020667443 [0,1,0,0,0,1|0,0,2]=4 1421 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,1,0,0,0,1|2,0,0]=4 1422 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [0,1,0,0,0,1|2,0,0]=4 1423 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [0,1,0,0,0,1|2,0,0]=4 1424 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,1,0,0,0,1|1,0,1]=4 1425 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,1,0,0,0,1|1,0,1]=4 1426 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,1,0,0,0,1|1,0,1]=4 1427 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [0,1,0,0,0,1|1,0,1]=4 1428 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [0,1,0,0,0,1|1,0,1]=4 1429 B10R0.44 CC(C)NC(=O)CC(=O)CO 1458a_100000210174_100000183996 [0,1,0,0,0,1|1,0,0]=3 1430 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [0,1,0,0,0,1|1,0,0]=3 1431 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,1,0,0,0,1|2,0,0]=4 1432 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,1,0,0,0,1|1,0,0]=3 1433 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [0,1,0,0,0,1|2,0,0]=4 1434 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,1,0,0,0,1|2,0,0]=4 1435 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [0,1,0,0,0,1|2,0,0]=4 1436 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [0,1,0,0,0,1|2,0,0]=4 1437 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,1,0,0,0,1|2,0,0]=4 1438 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,1,0,0,0,1|2,0,0]=4 1439 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,1,0,0,0,1|2,0,0]=4 1440 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,1,0,0,0,1|2,0,0]=4 1441 B10R0.44 CCC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000748023 [0,1,0,0,0,1|2,0,0]=4 1442 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,1,0,0,0,1|1,0,0]=3 1443 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,1,0,0,0,1|1,0,0]=3 1444 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,1,0,0,0,1|0,0,1]=3 1445 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,1,0,0,0,1|1,0,1]=4 1446 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,1,0,0,0,1|1,0,1]=4 1447 B10R0.44 CCC(C)CC(=O)C[N+](=O)[O-] 1458a_100000708755_100000761209 [0,1,0,0,0,1|1,0,1]=4 1448 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,1,0,0,0,1|2,0,0]=4 1449 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,1,0,0,0,1|2,0,0]=4 1450 B10R0.44 CCC(C)NC(=O)CC(=O)N 240690a_100000209981_100134613110 [0,1,0,0,0,1|2,0,0]=4 1451 B10R0.44 CCC(C)NC(=O)CC(=O)N 527a_100000209981_100134613110 [0,1,0,0,0,1|2,0,0]=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 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,1,0,0,0,1|1,0,1]=4 1456 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,1,0,0,0,1|1,0,1]=4 1457 B10R0.44 CCN(C)CC(=O)CC(=O)N 1458a_100116209913_100000187820 [0,1,0,0,0,1|2,0,0]=4 1458 B10R0.44 CCN(C)CC(=O)CC(=O)[O-] 1458a_100116209913_100020667443 [0,1,0,0,0,1|1,0,1]=4 1459 B10R0.44 CCN(C)CC(=O)NC(=O)C 269982a_100000225621_100000183797 [0,1,0,0,0,1|2,0,0]=4 1460 B10R0.44 CCN(C)CC(=O)NC(=O)N 2230a_100000225621_100000182717 [0,1,0,0,0,1|2,0,0]=4 1461 B10R0.44 CCN(C)CC(=O)NC(=O)N 269982a_100000225621_100000182717 [0,1,0,0,0,1|2,0,0]=4 1462 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,1,0,0,0,1|2,0,0]=4 1463 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,1,0,0,0,1|2,0,0]=4 1464 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,1,0,0,0,1|2,0,0]=4 1465 B10R0.44 CC[C@H](C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100009816398 [0,1,0,0,0,1|2,0,0]=4 1466 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,1,0,0,0,1|1,0,0]=3 1467 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,1,0,0,0,1|1,0,1]=4 1468 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,1,0,0,0,1|2,0,0]=4 1469 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,1,0,0,0,1|1,0,0]=3 1470 B10R0.44 CNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183359 [0,1,0,0,0,1|2,0,0]=4 1471 B10R0.44 CNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183359 [0,1,0,0,0,1|2,0,0]=4 1472 B10R0.44 CNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183359 [0,1,0,0,0,1|2,0,0]=4 1473 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,1,0,0,0,1|0,0,2]=4 1474 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,1,0,0,0,1|0,0,0]=2 1475 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,1,0,0,0,1|0,0,0]=2 1476 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,1,0,0,0,1|1,0,0]=3 1477 B10R0.44 COC(=O)CC(=O)CC(F)F 1458a_100000211351_100011934356 [0,1,0,0,0,1|2,0,0]=4 1478 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [0,1,0,0,0,1|1,0,0]=3 1479 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,1,0,0,0,1|1,0,0]=3 1480 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [0,1,0,0,0,1|1,0,0]=3 1481 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [0,1,0,0,0,1|1,0,0]=3 1482 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,1,0,0,0,1|2,0,0]=4 1483 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,1,0,0,0,1|2,0,0]=4 1484 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,1,0,0,0,1|2,0,0]=4 1485 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,1,0,0,0,1|2,0,0]=4 1486 B10R0.44 COC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010850 [0,1,0,0,0,1|1,0,1]=4 1487 B10R0.44 COC(=O)NC(=O)CN(C)C 269982a_100102631434_100000010850 [0,1,0,0,0,1|1,0,0]=3 1488 B10R0.44 C[C@@H](CO)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000059175 [0,1,0,0,0,1|2,0,0]=4 1489 B10R0.44 C[C@@H](CO)CC(=O)CC(=O)N 1458a_100134613110_100000059175 [0,1,0,0,0,1|1,0,0]=3 1490 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,1,0,0,0,1|1,0,1]=4 1491 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,1,0,0,0,1|2,0,0]=4 1492 B10R0.44 C[C@H](CF)NC(=O)CC(=O)N 240690a_100102880703_100134613110 [0,1,0,0,0,1|2,0,0]=4 1493 B10R0.44 C[C@H](CF)NC(=O)CC(=O)N 527a_100102880703_100134613110 [0,1,0,0,0,1|2,0,0]=4 1494 B10R0.44 C[C@H](CO)NC(=O)CC(=O)N 240690a_100000737577_100134613110 [0,1,0,0,0,1|2,0,0]=4 1495 B10R0.44 C[C@H](CO)NC(=O)CC(=O)N 527a_100000737577_100134613110 [0,1,0,0,0,1|2,0,0]=4 1496 B10R0.70 CCN(CC(=O)O)CC(C)C 269956a_100000746405_100000210760 [0,1,0,0,0,1|2,0,0]=4 1497 B10R0.165 CC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_200000210301 [0,1,0,0,0,1|2,0,0]=4 1498 B10R0.165 CC(=O)NS(=O)(=O)CC(C)C 2740a_100000748329_100015343762 [0,1,0,0,0,1|2,0,0]=4 1499 B10R0.165 CC(C)CS(=O)(=O)CC(=O)[13CH3] 1458a_200000740652_200025704644 [0,1,0,0,0,1|2,0,0]=4 1500 B10R0.52 CCC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748023 [0,2,0,0,0,0|1,0,1]=4 1501 B10R0.52 CC[C@H](C)CC(=O)C(C)(C)O 1458a_100000242741_100009816398 [0,2,0,0,0,0|1,0,1]=4 1502 B10R0.52 C[C@@H](CO)CC(=O)C(C)(C)O 1458a_100000242741_100000059175 [0,2,0,0,0,0|1,0,1]=4 1503 B10R0.63 CC(C)CC(=O)C(C)(C)CO 1458a_100000749806_100000210624 [0,2,0,0,0,0|1,0,1]=4 1504 B10R0.63 CCC(C)(O)C(=O)CC(C)C 1458a_100011219770_100000210624 [0,2,0,0,0,0|1,0,1]=4 1505 B10R0.63 COC(C)(C)C(=O)CC(C)C 1458a_100000753492_100000210624 [0,2,0,0,0,0|1,0,1]=4 1506 B10R0.154 CN(C(=O)C(=O)N)C(C)(C)C 240690a_100011215553_100011215815 [0,2,0,0,0,0|2,0,0]=4 1507 B10R0.32 C#CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000184674 [0,2,0,0,0,0|2,0,0]=4 1508 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,2,0,0,0,0|2,0,0]=4 1509 B10R0.32 C=CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210623 [0,2,0,0,0,0|2,0,0]=4 1510 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [0,2,0,0,0,0|1,0,1]=4 1511 B10R0.32 CC(C)CC(=O)N(C)CCO 240690a_100000210263_100000210554 [0,2,0,0,0,0|2,0,0]=4 1512 B10R0.32 CC(C)CC(=O)N(C)CCO 527a_100000210263_100000210554 [0,2,0,0,0,0|2,0,0]=4 1513 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,2,0,0,0,0|1,0,1]=4 1514 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,2,0,0,0,0|2,0,0]=4 1515 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,2,0,0,0,0|0,0,2]=4 1516 B10R0.32 CC(C)NC(=O)C(=O)CC#N 1458a_100011220036_100011214920 [0,2,0,0,0,0|2,0,0]=4 1517 B10R0.32 CC(C)NC(=O)C(=O)CCF 1458a_100011220036_100011217306 [0,2,0,0,0,0|2,0,0]=4 1518 B10R0.32 CC(C)NC(=O)C(=O)CCO 1458a_100011220036_100000211926 [0,2,0,0,0,0|1,0,0]=3 1519 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,2,0,0,0,0|2,0,0]=4 1520 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,2,0,0,0,0|2,0,0]=4 1521 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,2,0,0,0,0|1,0,1]=4 1522 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,2,0,0,0,0|1,0,0]=3 1523 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,2,0,0,0,0|2,0,0]=4 1524 B10R0.32 CCNC(=O)C(=O)NC(C)C 1626a_100138425928_200011297158 [0,2,0,0,0,0|2,0,0]=4 1525 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100015525214_100011220036 [0,2,0,0,0,0|2,0,0]=4 1526 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100138425928_200011297158 [0,2,0,0,0,0|2,0,0]=4 1527 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100015525214_100011220036 [0,2,0,0,0,0|2,0,0]=4 1528 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100138425928_200011297158 [0,2,0,0,0,0|2,0,0]=4 1529 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,2,0,0,0,0|1,0,0]=3 1530 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,2,0,0,0,0|1,0,0]=3 1531 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,2,0,0,0,0|1,0,0]=3 1532 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,2,0,0,0,0|1,0,0]=3 1533 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [0,2,0,0,0,0|1,0,1]=4 1534 B10R0.32 CNNC(=O)C(=O)NC(C)C 22a_100016993582_100011220036 [0,2,0,0,0,0|2,0,0]=4 1535 B10R0.32 CO/N=C(\C)/C(=O)CC(C)C 1458a_100160996864_100000210624 [0,2,0,0,0,0|1,0,0]=3 1536 B10R0.32 CO/N=C(\C)/C(=O)CC(C)O 1458a_100160996864_100011218427 [0,2,0,0,0,0|2,0,0]=4 1537 B10R0.32 CO/N=C(\C)/C(=O)NC(C)C 11a_100138425928_100160996864 [0,2,0,0,0,0|2,0,0]=4 1538 B10R0.32 CO/N=C(\C)/C(=O)NC(C)C 240690a_100138425928_100160996864 [0,2,0,0,0,0|2,0,0]=4 1539 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,2,0,0,0,0|1,0,1]=4 1540 B10R0.32 COCC(=O)N(C)CC(C)C 11a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 1541 B10R0.32 COCC(=O)N(C)CC(C)C 1626a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 1542 B10R0.32 COCC(=O)N(C)CC(C)C 240690a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 1543 B10R0.32 COCC(=O)N(C)CC(C)C 527a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 1544 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000210554_100000765312 [0,2,0,0,0,0|1,0,1]=4 1545 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000751857_100000210624 [0,2,0,0,0,0|1,0,1]=4 1546 B10R0.37 CC(C)(C)NC(=O)C(=O)CF 1458a_100000238687_100015361967 [0,2,0,0,0,0|2,0,0]=4 1547 B10R0.37 CCC(=O)C(=O)NC(C)(C)C 1458a_100000238687_100000210202 [0,2,0,0,0,0|2,0,0]=4 1548 B10R0.37 CN(CC(C)(C)C)C(=O)CO 240690a_100000742839_100000210174 [0,2,0,0,0,0|2,0,0]=4 1549 B10R0.37 CN(CC(C)(C)C)C(=O)CO 527a_100000742839_100000210174 [0,2,0,0,0,0|2,0,0]=4 1550 B10R0.37 CN(CC(C)(C)O)C(=O)CO 240690a_100000755907_100000210174 [0,2,0,0,0,0|2,0,0]=4 1551 B10R0.37 CN(CC(C)(C)O)C(=O)CO 527a_100000755907_100000210174 [0,2,0,0,0,0|2,0,0]=4 1552 B10R0.37 CNC(=O)C(=O)C[Si](C)(C)C 1458a_100011218921_100000233785 [0,2,0,0,0,0|1,1,0]=4 1553 B10R0.37 CNC(=O)C(=O)NC(C)(C)C 1626a_100000715429_100011218921 [0,2,0,0,0,0|2,0,0]=4 1554 B10R0.37 CNC(=O)C(=O)NC(C)(C)C 1626a_100102657272_100000238687 [0,2,0,0,0,0|2,0,0]=4 1555 B10R0.37 CNC(=O)C(=O)NC(C)(C)C 240690a_100000715429_100011218921 [0,2,0,0,0,0|2,0,0]=4 1556 B10R0.37 CNC(=O)C(=O)NC(C)(C)C 240690a_100102657272_100000238687 [0,2,0,0,0,0|2,0,0]=4 1557 B10R0.37 CNC(=O)C(=O)NC(C)(C)C 527a_100000715429_100011218921 [0,2,0,0,0,0|2,0,0]=4 1558 B10R0.37 CNC(=O)C(=O)NC(C)(C)C 527a_100102657272_100000238687 [0,2,0,0,0,0|2,0,0]=4 1559 B10R0.37 COC(=O)C(=O)NC(C)(C)C 11a_100000715429_100000024059 [0,2,0,0,0,0|1,0,0]=3 1560 B10R0.37 COC(=O)C(=O)NC(C)(C)C 1626a_100000715429_100000024059 [0,2,0,0,0,0|1,0,0]=3 1561 B10R0.37 COC(=O)C(=O)NC(C)(C)C 240690a_100000715429_100000024059 [0,2,0,0,0,0|1,0,0]=3 1562 B10R0.37 COC(=O)C(=O)NC(C)(C)C 527a_100000715429_100000024059 [0,2,0,0,0,0|1,0,0]=3 1563 B10R0.46 C#CC(C)NC(=O)C(=O)OC 11a_100000707721_100000024059 [0,2,0,0,0,0|1,0,1]=4 1564 B10R0.46 C#CC(C)NC(=O)C(=O)OC 1626a_100000707721_100000024059 [0,2,0,0,0,0|1,0,1]=4 1565 B10R0.46 C#CC(C)NC(=O)C(=O)OC 240690a_100000707721_100000024059 [0,2,0,0,0,0|1,0,1]=4 1566 B10R0.46 C#CC(C)NC(=O)C(=O)OC 527a_100000707721_100000024059 [0,2,0,0,0,0|1,0,1]=4 1567 B10R0.46 C/C=C(\C)/C(=O)CC(C)CC 1458a_100020587367_100000748023 [0,2,0,0,0,0|2,0,0]=4 1568 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100020587367_100009816398 [0,2,0,0,0,0|2,0,0]=4 1569 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CO 1458a_100020587367_100000059175 [0,2,0,0,0,0|2,0,0]=4 1570 B10R0.46 CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210202 [0,2,0,0,0,0|2,0,0]=4 1571 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|1,0,0]=3 1572 B10R0.46 CCC(C)CC(=O)C(C)OC 1458a_100000743197_100000748023 [0,2,0,0,0,0|1,0,1]=4 1573 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|1,0,1]=4 1574 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [0,2,0,0,0,0|0,0,2]=4 1575 B10R0.46 CCC(C)CN(C)C(=O)CO 240690a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 1576 B10R0.46 CCC(C)CN(C)C(=O)CO 527a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 1577 B10R0.46 CCC(C)NC(=O)C(=O)CF 1458a_200011297154_100015361967 [0,2,0,0,0,0|2,0,0]=4 1578 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100000209981_100011218921 [0,2,0,0,0,0|2,0,0]=4 1579 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100102657272_200011297154 [0,2,0,0,0,0|2,0,0]=4 1580 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100000209981_100011218921 [0,2,0,0,0,0|2,0,0]=4 1581 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100102657272_200011297154 [0,2,0,0,0,0|2,0,0]=4 1582 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100000209981_100011218921 [0,2,0,0,0,0|2,0,0]=4 1583 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100102657272_200011297154 [0,2,0,0,0,0|2,0,0]=4 1584 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 1585 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 1586 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 1587 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 1588 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|1,0,1]=4 1589 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [0,2,0,0,0,0|1,0,1]=4 1590 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|2,0,0]=4 1591 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|1,0,0]=3 1592 B10R0.46 CC[C@H](C)CC(=O)C(C)OC 1458a_100000743197_100009816398 [0,2,0,0,0,0|1,0,1]=4 1593 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [0,2,0,0,0,0|0,0,2]=4 1594 B10R0.46 CNC(=O)C(=O)C[C@@H](C)CO 1458a_100011218921_100000059175 [0,2,0,0,0,0|1,0,0]=3 1595 B10R0.46 CNC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100011218921 [0,2,0,0,0,0|2,0,0]=4 1596 B10R0.46 CNC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100011218921 [0,2,0,0,0,0|2,0,0]=4 1597 B10R0.46 CNC(=O)C(=O)N[C@H](C)CF 527a_100102880703_100011218921 [0,2,0,0,0,0|2,0,0]=4 1598 B10R0.46 CNC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100011218921 [0,2,0,0,0,0|2,0,0]=4 1599 B10R0.46 CNC(=O)C(=O)N[C@H](C)CO 527a_100000737577_100011218921 [0,2,0,0,0,0|2,0,0]=4 1600 B10R0.46 COC(=O)C(=O)NC(C)C#N 11a_100000737613_100000024059 [0,2,0,0,0,0|1,0,1]=4 1601 B10R0.46 COC(=O)C(=O)NC(C)C#N 1626a_100000737613_100000024059 [0,2,0,0,0,0|1,0,1]=4 1602 B10R0.46 COC(=O)C(=O)NC(C)C#N 527a_100000737613_100000024059 [0,2,0,0,0,0|1,0,1]=4 1603 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 11a_100102880703_100000024059 [0,2,0,0,0,0|1,0,0]=3 1604 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100000024059 [0,2,0,0,0,0|1,0,0]=3 1605 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100000024059 [0,2,0,0,0,0|1,0,0]=3 1606 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 527a_100102880703_100000024059 [0,2,0,0,0,0|1,0,0]=3 1607 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100000024059 [0,2,0,0,0,0|1,0,0]=3 1608 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 527a_100000737577_100000024059 [0,2,0,0,0,0|1,0,0]=3 1609 B10R0.46 COC(C)C(=O)C[C@@H](C)CO 1458a_100000743197_100000059175 [0,2,0,0,0,0|1,0,1]=4 1610 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [0,2,0,0,0,0|0,0,2]=4 1611 B10R0.54 CCN(CC(C)C)C(=O)CO 240690a_100000738554_100000210174 [0,2,0,0,0,0|2,0,0]=4 1612 B10R0.54 CCN(CC(C)C)C(=O)CO 527a_100000738554_100000210174 [0,2,0,0,0,0|2,0,0]=4 1613 B10R0.54 COC(=O)C(C=O)NC(C)C 34a_100138425928_100000046368 [0,2,0,0,0,0|1,0,1]=4 1614 B10R0.54 COC(=O)C(C=O)OC(C)C 34a_100000212225_100000046368 [0,2,0,0,0,0|1,0,1]=4 1615 B10R0.54 COC(=O)C(C=O)SC(C)C 62a_100000046368_100000210206 [0,2,0,0,0,0|1,0,1]=4 1616 B10R0.54 COC(=O)C(C=O)SC(C)C 62a_100000210206_100000046368 [0,2,0,0,0,0|1,0,1]=4 1617 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 34a_100014169393_200000210301 [0,2,0,0,0,0|0,0,2]=4 1618 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 7a_100014169393_200000210301 [0,2,0,0,0,0|0,0,2]=4 1619 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 34a_100014169393_200025704644 [0,2,0,0,0,0|0,0,2]=4 1620 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 7a_100014169393_200025704644 [0,2,0,0,0,0|0,0,2]=4 1621 B10R0.56 CC(C)C(C)N(C)C(=O)CO 240690a_100000228512_100000210174 [0,2,0,0,0,0|2,0,0]=4 1622 B10R0.56 CC(C)C(C)N(C)C(=O)CO 527a_100000228512_100000210174 [0,2,0,0,0,0|2,0,0]=4 1623 B10R0.56 CC(CO)N(C)C(=O)C(=O)N 240690a_100000693034_100011215815 [0,2,0,0,0,0|2,0,0]=4 1624 B10R0.56 CCC(C)N(C)C(=O)C(=O)N 240690a_100000741768_100011215815 [0,2,0,0,0,0|2,0,0]=4 1625 B10R0.56 CNC(=O)C(=O)N(C)C(C)C 1626a_200000211004_100011218921 [0,2,0,0,0,0|2,0,0]=4 1626 B10R0.56 CNC(=O)C(=O)N(C)C(C)C 240690a_200000211004_100011218921 [0,2,0,0,0,0|2,0,0]=4 1627 B10R0.56 CNC(=O)C(=O)N(C)C(C)C 527a_200000211004_100011218921 [0,2,0,0,0,0|2,0,0]=4 1628 B10R0.56 COC(=O)C(=O)C(C)N(C)C 2230a_100102631434_100000692041 [0,2,0,0,0,0|1,0,0]=3 1629 B10R0.56 COC(=O)C(=O)N(C)C(C)C 11a_200000211004_100000024059 [0,2,0,0,0,0|1,0,0]=3 1630 B10R0.56 COC(=O)C(=O)N(C)C(C)C 1626a_200000211004_100000024059 [0,2,0,0,0,0|1,0,0]=3 1631 B10R0.56 COC(=O)C(=O)N(C)C(C)C 240690a_200000211004_100000024059 [0,2,0,0,0,0|1,0,0]=3 1632 B10R0.56 COC(=O)C(=O)N(C)C(C)C 527a_200000211004_100000024059 [0,2,0,0,0,0|1,0,0]=3 1633 B10R0.144 CCC(OC)C(=O)CC(C)C 1458a_100000747056_100000210624 [0,2,0,0,0,0|1,0,1]=4 1634 B10R0.144 COC(OC)C(=O)CC(C)C 1458a_100000046285_100000210624 [0,2,0,0,0,0|0,0,2]=4 1635 B10R0.76 CCN(C(=O)C(=O)N)C(C)C 240690a_100000223864_100011215815 [0,2,0,0,0,0|2,0,0]=4 1636 B10R0.95 CC(C)(C)CC(N[13CH3])C(=O)O 269956a_100000691758_200025704644 [0,2,0,0,0,0|1,0,1]=4 1637 B10R0.95 CC(C)(F)C[C@H](N[13CH3])C(=O)O 269956a_100016039316_200025704644 [0,2,0,0,0,0|1,0,1]=4 1638 B10R0.95 CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_200000210301 [0,2,0,0,0,0|1,0,1]=4 1639 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_200000210301 [0,2,0,0,0,0|1,0,1]=4 1640 B10R0.26 C#CCN(C)CC(=O)C(=O)C 34a_100000225692_100011261029 [0,2,0,0,0,0|2,0,0]=4 1641 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|2,0,0]=4 1642 B10R0.26 C=CCN(C)CC(=O)C(=O)C 269982a_100000225617_100011261029 [0,2,0,0,0,0|2,0,0]=4 1643 B10R0.26 CC(=O)C(=O)CN(C)CCO 269982a_100000210263_100011261029 [0,2,0,0,0,0|2,0,0]=4 1644 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [0,2,0,0,0,0|0,0,2]=4 1645 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|1,0,1]=4 1646 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|1,0,1]=4 1647 B10R0.26 CCCC(C)NC(=O)C(=O)N 240690a_100000741246_100011215815 [0,2,0,0,0,0|2,0,0]=4 1648 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|2,0,0]=4 1649 B10R0.26 COC[C@@H](C)NC(=O)C(=O)N 240690a_100000764878_100011215815 [0,2,0,0,0,0|2,0,0]=4 1650 B10R0.26 C[C@@H](CC#N)NC(=O)C(=O)N 240690a_100016994482_100011215815 [0,2,0,0,0,0|2,0,0]=4 1651 B10R0.26 C[C@H](CCO)NC(=O)C(=O)N 240690a_100000706166_100011215815 [0,2,0,0,0,0|2,0,0]=4 1652 B10R0.67 C#CC(C)(C)NC(=O)C(=O)N 240690a_100000054563_100011215815 [0,2,0,0,0,0|2,0,0]=4 1653 B10R0.67 CC(C)(CO)NC(=O)C(=O)N 240690a_100000210608_100011215815 [0,2,0,0,0,0|2,0,0]=4 1654 B10R0.67 CCC(C)(C)NC(=O)C(=O)C 1458a_200011297151_200000210301 [0,2,0,0,0,0|2,0,0]=4 1655 B10R0.67 CCC(C)(C)NC(=O)C(=O)N 240690a_100000211385_100011215815 [0,2,0,0,0,0|2,0,0]=4 1656 B10R0.67 CCC(C)(C)NC(=O)C(=O)[13CH3] 1458a_200011297151_200025704644 [0,2,0,0,0,0|2,0,0]=4 1657 B10R0.72 C=C(C)C(=O)CC(CC)CC 1458a_100000185857_100011215472 [0,2,0,0,0,0|2,0,0]=4 1658 B10R0.72 C=C(C)C(=O)CC(OC)OC 1458a_100000185857_100000751394 [0,2,0,0,0,0|2,0,0]=4 1659 B10R0.72 CCC(CC)CC(=O)C(O)O 1458a_100000233687_100011215472 [0,2,0,0,0,0|0,0,2]=4 1660 B10R0.72 CCC(CC)CC(=O)[C@@H](C)O 1458a_100000717761_100011215472 [0,2,0,0,0,0|1,0,1]=4 1661 B10R0.72 CCC(CC)CC(=O)[C@H](C)O 1458a_217856618621_100011215472 [0,2,0,0,0,0|1,0,1]=4 1662 B10R0.72 CCC(CC)NC(=O)C(=O)N 240690a_100000199018_100011215815 [0,2,0,0,0,0|2,0,0]=4 1663 B10R0.72 CCN(CC)CC(=O)C(=O)C 269956a_100000042499_100011261029 [0,2,0,0,0,0|2,0,0]=4 1664 B10R0.72 CCN(CC)CC(=O)C(=O)C 269982a_100000724800_100011261029 [0,2,0,0,0,0|2,0,0]=4 1665 B10R0.72 CC[C@@H](CO)NC(=O)C(=O)N 240690a_100000709445_100011215815 [0,2,0,0,0,0|2,0,0]=4 1666 B10R0.72 COC(CC(=O)C(O)O)OC 1458a_100000233687_100000751394 [0,2,0,0,0,0|0,0,2]=4 1667 B10R0.72 COC(CC(=O)[C@@H](C)O)OC 1458a_100000717761_100000751394 [0,2,0,0,0,0|1,0,1]=4 1668 B10R0.72 COC(CC(=O)[C@H](C)O)OC 1458a_217856618621_100000751394 [0,2,0,0,0,0|1,0,1]=4 1669 B10R0.72 NC(=O)C(=O)NC(CO)CO 240690a_100000759517_100011215815 [0,2,0,0,0,0|2,0,0]=4 1670 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [1,0,0,1,0,0|1,0,1]=4 1671 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|1,0,0]=3 1672 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [1,0,0,1,0,0|2,0,0]=4 1673 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [1,0,0,1,0,0|2,0,0]=4 1674 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [1,0,0,1,0,0|2,0,0]=4 1675 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [1,0,0,1,0,0|2,0,0]=4 1676 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [1,0,0,1,0,0|2,0,0]=4 1677 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|1,0,1]=4 1678 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|1,0,1]=4 1679 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|2,0,0]=4 1680 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 1681 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 1682 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 1683 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|1,0,1]=4 1684 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|0,0,1]=3 1685 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|1,0,1]=4 1686 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|1,0,1]=4 1687 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|1,0,1]=4 1688 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [1,0,0,1,0,0|1,0,1]=4 1689 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [1,0,0,1,0,0|1,0,1]=4 1690 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|1,0,1]=4 1691 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|1,0,1]=4 1692 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|2,0,0]=4 1693 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|2,0,0]=4 1694 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|2,0,0]=4 1695 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|2,0,0]=4 1696 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|2,0,0]=4 1697 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,0,1]=4 1698 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|1,0,1]=4 1699 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,1]=4 1700 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,1]=4 1701 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 1702 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 1703 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 1704 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 1705 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,1]=4 1706 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|1,0,1]=4 1707 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,1]=4 1708 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [1,0,0,1,0,0|1,0,1]=4 1709 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [1,0,0,1,0,0|1,0,1]=4 1710 B10R1.58 CC1=CC(OC1=O)N(C)C 2230a_100102631434_200009893386 [0,0,0,1,0,1|2,0,0]=4 1711 B10R1.81 C=C(Br)C(=O)N1CC(C1)C 11a_100000702820_100009813364 [0,0,0,1,0,1|2,0,0]=4 1712 B10R1.81 C=C(C)C(=O)N1CC(C1)C 11a_100000702820_100000185857 [0,0,0,1,0,1|2,0,0]=4 1713 B10R1.81 C=C(Cl)C(=O)N1CC(C1)C 11a_100000702820_100000039160 [0,0,0,1,0,1|2,0,0]=4 1714 B10R1.81 C=C(F)C(=O)N1CC(C1)C 11a_100000702820_100000036797 [0,0,0,1,0,1|2,0,0]=4 1715 B10R1.81 CC1CN(C1)C(=O)C(=O)N 240690a_100000702820_100011215815 [0,0,0,1,0,1|1,0,0]=3 1716 B10R1.81 CC1CN(C1)C(=O)C(O)O 240690a_100000702820_100000233687 [0,0,0,1,0,1|0,0,2]=4 1717 B10R1.81 CC1CN(C1)C(=O)[C@@H](C)O 240690a_100000702820_100000717761 [0,0,0,1,0,1|1,0,1]=4 1718 B10R1.81 CC1CN(C1)C(=O)[C@H](C)O 240690a_100000702820_217856618621 [0,0,0,1,0,1|1,0,1]=4 1719 B10R1.81 NC(=O)C(=O)N1CC(C1)F 240690a_100000690557_100011215815 [0,0,0,1,0,1|2,0,0]=4 1720 B10R1.81 NC(=O)C(=O)N1CC(C1)O 240690a_100000749847_100011215815 [0,0,0,1,0,1|2,0,0]=4 1721 B10R1.190 NC(=O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011215815 [0,0,0,1,0,1|2,0,0]=4 1722 B10R1.190 NC(=O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011215815 [0,0,0,1,0,1|2,0,0]=4 1723 B10R1.205 C=C(Br)C(=O)NCC1CC1 11a_100000735609_100009813364 [0,0,0,1,0,1|2,0,0]=4 1724 B10R1.205 C=C(Br)C(=O)NCC1CC1 1626a_100000735609_100009813364 [0,0,0,1,0,1|2,0,0]=4 1725 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,0,0,1,0,1|2,0,0]=4 1726 B10R1.205 C=C(C)C(=O)NCC1CC1 11a_100000735609_100000185857 [0,0,0,1,0,1|2,0,0]=4 1727 B10R1.205 C=C(C)C(=O)NCC1CC1 1626a_100000735609_100000185857 [0,0,0,1,0,1|2,0,0]=4 1728 B10R1.205 C=C(Cl)C(=O)NCC1CC1 11a_100000735609_100000039160 [0,0,0,1,0,1|2,0,0]=4 1729 B10R1.205 C=C(Cl)C(=O)NCC1CC1 1626a_100000735609_100000039160 [0,0,0,1,0,1|2,0,0]=4 1730 B10R1.205 C=C(F)C(=O)NCC1CC1 11a_100000735609_100000036797 [0,0,0,1,0,1|2,0,0]=4 1731 B10R1.205 C=C(F)C(=O)NCC1CC1 1626a_100000735609_100000036797 [0,0,0,1,0,1|2,0,0]=4 1732 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,0,0,1,0,1|1,0,0]=3 1733 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,0,0,1,0,1|1,0,0]=3 1734 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,0,0,1,0,1|1,0,1]=4 1735 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,0,0,1,0,1|1,0,1]=4 1736 B10R1.205 C[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000717761 [0,0,0,1,0,1|1,0,1]=4 1737 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,0,0,1,0,1|1,0,1]=4 1738 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,0,0,1,0,1|1,0,1]=4 1739 B10R1.205 C[C@H](O)C(=O)NCC1CC1 1626a_100000735609_217856618621 [0,0,0,1,0,1|1,0,1]=4 1740 B10R1.205 C[C@H](O)C(=O)NCC1CC1 240690a_100000735609_217856618621 [0,0,0,1,0,1|1,0,1]=4 1741 B10R1.205 NC(=O)C(=O)NCC1CC1 240690a_100000735609_100011215815 [0,0,0,1,0,1|1,0,0]=3 1742 B10R1.205 NC(=O)C(=O)NNC1CC1 22a_100000701032_100011215815 [0,0,0,1,0,1|2,0,0]=4 1743 B10R1.205 O=C(CCC1CC1)C(O)O 1458a_100000233687_100000694398 [0,0,0,1,0,1|0,0,2]=4 1744 B10R1.205 O=C(NCC1CC1)C(O)O 240690a_100000735609_100000233687 [0,0,0,1,0,1|0,0,2]=4 1745 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,0,0,1,0,1|1,0,1]=4 1746 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,0,0,1,0,1|1,0,1]=4 1747 B10R1.211 CC(C)CNC(=O)C1CO1 11a_100000210953_100000701028 [0,0,0,1,0,1|1,0,1]=4 1748 B10R1.211 CC(C)CNC(=O)C1CO1 1626a_100000210953_100000701028 [0,0,0,1,0,1|1,0,1]=4 1749 B10R1.211 CC(C)CNC(=O)C1CO1 240690a_100000210953_100000701028 [0,0,0,1,0,1|1,0,1]=4 1750 B10R1.211 CC(C)CNC(=O)C1CO1 527a_100000210953_100000701028 [0,0,0,1,0,1|1,0,1]=4 1751 B10R1.54 CC(C)Cc1noc(n1)O 270196a_100000210173_100015183105 [0,0,0,1,0,1|1,0,1]=4 1752 B10R1.54 Cc1nc(no1)CC(C)C 270196a_100000210173_100000070787 [0,0,0,1,0,1|2,0,0]=4 1753 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [0,0,0,1,0,1|2,0,0]=4 1754 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,0,0,1,0,1|2,0,0]=4 1755 B10R1.110 C=C(F)CC(=O)C1CC1C 1458a_100000211227_100009893438 [0,0,0,1,0,1|2,0,0]=4 1756 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,0,0,1,0,1|1,0,1]=4 1757 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,0,0,1,0,1|1,0,0]=3 1758 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,0,0,1,0,1|0,0,1]=3 1759 B10R1.110 CC1CC1C(=O)C[N+](=O)[O-] 1458a_100000211227_100000761209 [0,0,0,1,0,1|1,0,1]=4 1760 B10R1.110 NC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000187820 [0,0,0,1,0,1|2,0,0]=4 1761 B10R1.110 O=C([O-])CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100020667443 [0,0,0,1,0,1|1,0,1]=4 1762 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,0,0,1,0,1|2,0,0]=4 1763 B10R1.268 C=C(F)CC(=O)CC1CC1 1458a_100000738066_100009893438 [0,0,0,1,0,1|2,0,0]=4 1764 B10R1.268 CC(=CC(=O)CC1CC1)C 1458a_100000211388_100000742324 [0,0,0,1,0,1|2,0,0]=4 1765 B10R1.268 CC(=CC(=O)CC1CC1)Cl 1458a_200042562850_100000742324 [0,0,0,1,0,1|2,0,0]=4 1766 B10R1.268 CC(=CC(=O)CC1CC1)I 1458a_100025716642_100000742324 [0,0,0,1,0,1|2,0,0]=4 1767 B10R1.268 CC(=O)CC(=O)NC1CC1 1458a_100000070787_100000182950 [0,0,0,1,0,1|2,0,0]=4 1768 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,0,0,1,0,1|2,0,0]=4 1769 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [0,0,0,1,0,1|1,0,1]=4 1770 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [0,0,0,1,0,1|1,0,1]=4 1771 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,0,0,1,0,1|1,0,1]=4 1772 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [0,0,0,1,0,1|2,0,0]=4 1773 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,0,0,1,0,1|1,0,1]=4 1774 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,0,0,1,0,1|1,0,0]=3 1775 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,0,0,1,0,1|1,0,0]=3 1776 B10R1.268 NC(=O)CC(=O)CC1CO1 1458a_100134613110_100011216344 [0,0,0,1,0,1|2,0,0]=4 1777 B10R1.268 NC(=O)CC(=O)CC1CS1 1458a_100134613110_100000031435 [0,0,0,1,0,1|2,0,0]=4 1778 B10R1.268 NC(=O)CC(=O)C[C@@H]1CO1 1458a_100134613110_100000745022 [0,0,0,1,0,1|2,0,0]=4 1779 B10R1.268 NC(=O)CC(=O)NC1CC1 240690a_100000212008_100134613110 [0,0,0,1,0,1|2,0,0]=4 1780 B10R1.268 NC(=O)CC(=O)NC1CC1 527a_100000212008_100134613110 [0,0,0,1,0,1|2,0,0]=4 1781 B10R1.268 O=C(C=C(Cl)Cl)CC1CC1 1458a_100000137448_100000742324 [0,0,0,1,0,1|2,0,0]=4 1782 B10R1.268 O=C(CC1CC1)C[N+](=O)[O-] 1458a_100000738066_100000761209 [0,0,0,1,0,1|1,0,1]=4 1783 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,0,0,1,0,1|0,0,1]=3 1784 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,0,0,1,0,1|2,0,0]=4 1785 B10R1.267 CC(C)CC(=O)C1(CC1)O 1458a_100000241761_100000210624 [0,1,0,1,0,0|1,0,1]=4 1786 B10R1.372 CC(C)(O)C(=O)CC1CC1 1458a_100000242741_100000742324 [0,1,0,1,0,0|1,0,1]=4 1787 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 1788 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 1789 B10R1.184 C/C=C(\C)/C(=O)CC1CC1 1458a_100020587367_100000742324 [0,1,0,1,0,0|2,0,0]=4 1790 B10R1.184 CCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210202 [0,1,0,1,0,0|2,0,0]=4 1791 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|1,0,1]=4 1792 B10R1.184 CN(CC1CC1)C(=O)CO 240690a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 1793 B10R1.184 CN(CC1CC1)C(=O)CO 527a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 1794 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|1,0,0]=3 1795 B10R1.184 CNC(=O)C(=O)CC1CO1 1458a_100011218921_100011216344 [0,1,0,1,0,0|2,0,0]=4 1796 B10R1.184 CNC(=O)C(=O)CC1CS1 1458a_100011218921_100000031435 [0,1,0,1,0,0|2,0,0]=4 1797 B10R1.184 CNC(=O)C(=O)C[C@@H]1CO1 1458a_100011218921_100000745022 [0,1,0,1,0,0|2,0,0]=4 1798 B10R1.184 CNC(=O)C(=O)NC1CC1 1626a_100000212008_100011218921 [0,1,0,1,0,0|2,0,0]=4 1799 B10R1.184 CNC(=O)C(=O)NC1CC1 1626a_100102657272_100000756273 [0,1,0,1,0,0|2,0,0]=4 1800 B10R1.184 CNC(=O)C(=O)NC1CC1 240690a_100000212008_100011218921 [0,1,0,1,0,0|2,0,0]=4 1801 B10R1.184 CNC(=O)C(=O)NC1CC1 240690a_100102657272_100000756273 [0,1,0,1,0,0|2,0,0]=4 1802 B10R1.184 CNC(=O)C(=O)NC1CC1 527a_100000212008_100011218921 [0,1,0,1,0,0|2,0,0]=4 1803 B10R1.184 COC(=O)C(=O)NC1CC1 1626a_100000212008_100000024059 [0,1,0,1,0,0|1,0,0]=3 1804 B10R1.184 COC(=O)C(=O)NC1CC1 240690a_100000212008_100000024059 [0,1,0,1,0,0|1,0,0]=3 1805 B10R1.184 COC(=O)C(=O)NC1CC1 527a_100000212008_100000024059 [0,1,0,1,0,0|1,0,0]=3 1806 B10R1.184 COC(C)C(=O)CC1CC1 1458a_100000743197_100000742324 [0,1,0,1,0,0|1,0,1]=4 1807 B10R1.184 O=C(CC1CC1)C(O)CO 1458a_100011215603_100000742324 [0,1,0,1,0,0|0,0,2]=4 1808 B10R1.184 O=C(CF)C(=O)NC1CC1 1458a_100000756273_100015361967 [0,1,0,1,0,0|2,0,0]=4 1809 B10R1.266 CC(C)CC(=O)C1CCO1 1458a_100000089072_100000210624 [0,1,0,1,0,0|1,0,1]=4 1810 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000210554_100000687716 [0,1,0,1,0,0|1,0,1]=4 1811 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000758290_100000210624 [0,1,0,1,0,0|1,0,1]=4 1812 B10R1.413 CC1(CN(C1)C(=O)CO)C 240690a_100000753659_100000210174 [0,1,0,1,0,0|2,0,0]=4 1813 B10R1.413 CC1(CN(C1)C(=O)CO)C 527a_100000753659_100000210174 [0,1,0,1,0,0|2,0,0]=4 1814 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|1,0,1]=4 1815 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|1,0,1]=4 1816 B10R1.116 CC1CCN1C(=O)C(=O)N 240690a_100000755817_100011215815 [0,1,0,1,0,0|2,0,0]=4 1817 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,1,0,1,0,0|1,0,1]=4 1818 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,1,0,1,0,0|1,0,1]=4 1819 B10R1.134 C[C@@H](CO)CC(=O)C1CO1 1458a_100000701028_100000059175 [0,1,0,1,0,0|1,0,1]=4 1820 B10R1.203 C=C(C)C(=O)CC1(CO1)C 1458a_100000185857_100000760498 [0,1,0,1,0,0|2,0,0]=4 1821 B10R1.203 CC1(CC1)NC(=O)C(=O)N 240690a_100000757604_100011215815 [0,1,0,1,0,0|2,0,0]=4 1822 B10R1.203 CC1(CO1)CC(=O)C(O)O 1458a_100000233687_100000760498 [0,1,0,1,0,0|0,0,2]=4 1823 B10R1.203 C[C@@H](O)C(=O)CC1(CO1)C 1458a_100000717761_100000760498 [0,1,0,1,0,0|1,0,1]=4 1824 B10R1.203 C[C@H](O)C(=O)CC1(CO1)C 1458a_217856618621_100000760498 [0,1,0,1,0,0|1,0,1]=4 1825 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|2,0,0]=4 1826 B10R1.204 C=C(C)C(=O)CC1CCO1 1458a_100000185857_100000103362 [0,1,0,1,0,0|2,0,0]=4 1827 B10R1.204 C=C(C)C(=O)CC1COC1 1458a_100000185857_100010264016 [0,1,0,1,0,0|2,0,0]=4 1828 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|2,0,0]=4 1829 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|1,0,1]=4 1830 B10R1.204 C[C@@H](O)C(=O)CC1CCO1 1458a_100000717761_100000103362 [0,1,0,1,0,0|1,0,1]=4 1831 B10R1.204 C[C@@H](O)C(=O)CC1COC1 1458a_100000717761_100010264016 [0,1,0,1,0,0|1,0,1]=4 1832 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|1,0,1]=4 1833 B10R1.204 C[C@H](O)C(=O)CC1CCO1 1458a_217856618621_100000103362 [0,1,0,1,0,0|1,0,1]=4 1834 B10R1.204 C[C@H](O)C(=O)CC1COC1 1458a_217856618621_100010264016 [0,1,0,1,0,0|1,0,1]=4 1835 B10R1.204 NC(=O)C(=O)NC1CCC1 240690a_100000749019_100011215815 [0,1,0,1,0,0|2,0,0]=4 1836 B10R1.204 NC(=O)C(=O)NC1COC1 240690a_100016991112_100011215815 [0,1,0,1,0,0|2,0,0]=4 1837 B10R1.204 NC(=O)C(=O)NC1CSC1 240690a_100016994217_100011215815 [0,1,0,1,0,0|2,0,0]=4 1838 B10R1.204 O=C(CC1CCC1)C(O)O 1458a_100000233687_100000763275 [0,1,0,1,0,0|0,0,2]=4 1839 B10R1.204 O=C(CC1CCO1)C(O)O 1458a_100000233687_100000103362 [0,1,0,1,0,0|0,0,2]=4 1840 B10R1.204 O=C(CC1COC1)C(O)O 1458a_100000233687_100010264016 [0,1,0,1,0,0|0,0,2]=4 1841 B10R1.278 CN(C(=O)C(=O)N)C1CC1 240690a_100000226674_100011215815 [0,1,0,1,0,0|2,0,0]=4 1842 B10R2.485 O=C(CC1CC1)C2CO2 1458a_100000701028_100000742324 [0,0,0,2,0,0|1,0,1]=4 1843 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [1,0,0,0,0,1|2,0,0]=4 1844 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [1,0,0,0,0,1|2,0,0]=4 1845 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [1,0,0,0,0,1|2,0,0]=4 1846 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [1,0,0,0,0,1|2,0,0]=4 1847 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [1,0,0,0,0,1|2,0,0]=4 1848 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [1,0,0,0,0,1|2,0,0]=4 1849 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [1,0,0,0,0,1|2,0,0]=4 1850 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,0,0,0,0,1|1,0,1]=4 1851 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [1,0,0,0,0,1|2,0,0]=4 1852 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,1|1,0,1]=4 1853 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,1|1,0,1]=4 1854 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,0,0,0,1|1,0,1]=4 1855 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,0,0,0,1|1,0,1]=4 1856 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,0,0,0,1|1,0,1]=4 1857 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,0,0,0,0,1|1,0,1]=4 1858 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,0,0,0,0,1|1,0,1]=4 1859 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,0,0,0,0,1|1,0,1]=4 1860 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,0,0,0,0,1|1,0,1]=4 1861 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,0,0,0,0,1|1,0,1]=4 1862 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,0,0,0,0,1|1,0,1]=4 1863 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,0,0,0,0,1|1,0,1]=4 1864 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,0,0,0,0,1|1,0,1]=4 1865 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,0,0,0,0,1|1,0,1]=4 1866 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,0,0,0,0,1|2,0,0]=4 1867 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,0,0,0,0,1|2,0,0]=4 1868 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,0,0,0,0,1|2,0,0]=4 1869 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,0,0,0,0,1|2,0,0]=4 1870 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,0,0,0,0,1|2,0,0]=4 1871 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,0,0,0,0,1|1,0,1]=4 1872 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,1|1,0,1]=4 1873 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,0,0,0,0,1|1,0,1]=4 1874 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,0,0,0,0,1|1,0,1]=4 1875 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,0,0,0,0,1|1,0,1]=4 1876 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,1|0,0,1]=3 1877 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,0,0,0,0,1|0,0,2]=4 1878 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,0,0,0,0,1|1,0,1]=4 1879 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,0,0,0,0,1|1,0,1]=4 1880 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,0,0,0,0,1|0,0,2]=4 1881 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,0,0,0,0,1|1,0,1]=4 1882 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,0,0,0,0,1|1,0,1]=4 1883 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,0,0,0,0,1|0,0,2]=4 1884 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,0,0,0,0,1|0,0,2]=4 1885 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,0,0,0,0,1|1,0,1]=4 1886 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,0,0,0,0,1|1,0,1]=4 1887 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,0,0,0,0,1|1,0,1]=4 1888 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,0,0,0,0,1|1,0,1]=4 1889 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,0,0,0,0,1|1,0,1]=4 1890 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,0,0,0,0,1|1,0,1]=4 1891 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,0,0,0,0,1|1,0,1]=4 1892 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,0,0,0,0,1|1,0,1]=4 1893 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,1|1,0,1]=4 1894 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [1,0,0,0,0,1|2,0,0]=4 1895 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,1|1,0,1]=4 1896 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,1|1,0,1]=4 1897 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,1|1,0,1]=4 1898 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,0,0,0,0,2|2,0,0]=4 1899 B10R0.96 C=C(C)CC(=O)COC(C)C 1458a_100000745533_100000748629 [0,0,0,0,0,2|2,0,0]=4 1900 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,0,0,0,0,2|2,0,0]=4 1901 B10R0.96 C=C(F)CC(=O)CCC(C)C 1458a_100000181311_100009893438 [0,0,0,0,0,2|2,0,0]=4 1902 B10R0.96 C=C(F)CC(=O)COC(C)C 1458a_100000745533_100009893438 [0,0,0,0,0,2|2,0,0]=4 1903 B10R0.96 C=C(F)CC(=O)CSC(C)C 1458a_100000241585_100009893438 [0,0,0,0,0,2|2,0,0]=4 1904 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,0,0,0,0,2|2,0,0]=4 1905 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,0,0,0,0,2|2,0,0]=4 1906 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,0,0,0,0,2|2,0,0]=4 1907 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,0,0,0,0,2|2,0,0]=4 1908 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,0,0,0,0,2|2,0,0]=4 1909 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,0,0,0,0,2|2,0,0]=4 1910 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 11a_100000210953_200042562850 [0,0,0,0,0,2|2,0,0]=4 1911 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 1626a_100000210953_200042562850 [0,0,0,0,0,2|2,0,0]=4 1912 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 240690a_100000210953_200042562850 [0,0,0,0,0,2|2,0,0]=4 1913 B10R0.96 CC(=CC(=O)NCC(C)C)I 11a_100000210953_100025716642 [0,0,0,0,0,2|2,0,0]=4 1914 B10R0.96 CC(=CC(=O)NCC(C)C)I 1626a_100000210953_100025716642 [0,0,0,0,0,2|2,0,0]=4 1915 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100011220947_100000187820 [0,0,0,0,0,2|1,0,1]=4 1916 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100134613110_100000761012 [0,0,0,0,0,2|1,0,1]=4 1917 B10R0.96 CC(=CCC(=O)CC(=O)[O-])C 1458a_100011220947_100020667443 [0,0,0,0,0,2|0,0,2]=4 1918 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,0,0,0,0,2|1,0,0]=3 1919 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,0,0,0,0,2|1,0,0]=3 1920 B10R0.96 CC(C)C=CC(=O)CC(=O)N 1458a_100016268746_100000187820 [0,0,0,0,0,2|1,0,1]=4 1921 B10R0.96 CC(C)C=CC(=O)CC(=O)[O-] 1458a_100016268746_100020667443 [0,0,0,0,0,2|0,0,2]=4 1922 B10R0.96 CC(C)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210312 [0,0,0,0,0,2|2,0,0]=4 1923 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,0,0,0,0,2|1,0,0]=3 1924 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,0,0,0,0,2|1,0,0]=3 1925 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,0,0,0,0,2|0,0,1]=3 1926 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,0,0,0,0,2|1,0,1]=4 1927 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,0,0,0,0,2|1,0,1]=4 1928 B10R0.96 CC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000181311_100000761209 [0,0,0,0,0,2|1,0,1]=4 1929 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,0,2|2,0,0]=4 1930 B10R0.96 CC(C)CNC(=O)C=C(Cl)Cl 1626a_100000210953_100000137448 [0,0,0,0,0,2|2,0,0]=4 1931 B10R0.96 CC(C)CNC(=O)C=C(Cl)Cl 240690a_100000210953_100000137448 [0,0,0,0,0,2|2,0,0]=4 1932 B10R0.96 CC(C)CNC(=O)CC(=O)N 240690a_100000210953_100134613110 [0,0,0,0,0,2|1,0,0]=3 1933 B10R0.96 CC(C)CNC(=O)CC(=O)N 527a_100000210953_100134613110 [0,0,0,0,0,2|1,0,0]=3 1934 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,0,0,0,0,2|1,0,1]=4 1935 B10R0.96 CC(C)NCC(=O)NC(=O)N 2230a_100138425928_100000182717 [0,0,0,0,0,2|1,0,0]=3 1936 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,0,0,0,0,2|0,0,2]=4 1937 B10R0.96 CC(C)NNC(=O)CC(=O)N 22a_100000741168_100134613110 [0,0,0,0,0,2|2,0,0]=4 1938 B10R0.96 CC(C)OCC(=O)CC(=O)N 1458a_100000745533_100000187820 [0,0,0,0,0,2|1,0,0]=3 1939 B10R0.96 CC(C)OCC(=O)CC(=O)[O-] 1458a_100000745533_100020667443 [0,0,0,0,0,2|0,0,1]=3 1940 B10R0.96 CC(C)OCC(=O)C[N+](=O)[O-] 1458a_100000745533_100000761209 [0,0,0,0,0,2|1,0,1]=4 1941 B10R0.96 CC(C)OCN(C)CC(=O)O 269956a_100000746989_100000709892 [0,0,0,0,0,2|2,0,0]=4 1942 B10R0.96 CC(C)SCC(=O)CC(=O)N 1458a_100000241585_100000187820 [0,0,0,0,0,2|1,0,0]=3 1943 B10R0.96 CC(C)SCC(=O)CC(=O)[O-] 1458a_100000241585_100020667443 [0,0,0,0,0,2|0,0,1]=3 1944 B10R0.96 CC(C)SCC(=O)C[N+](=O)[O-] 1458a_100000241585_100000761209 [0,0,0,0,0,2|1,0,1]=4 1945 B10R0.96 CC(C)SCC(=O)NC(=O)N 62a_100000210206_100000182717 [0,0,0,0,0,2|1,0,0]=3 1946 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,0,0,0,0,2|1,0,1]=4 1947 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,0,0,0,0,2|1,0,1]=4 1948 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,0,0,0,0,2|2,0,0]=4 1949 B10R0.96 CC(O)CNC(=O)CC(=O)N 240690a_100000210904_100134613110 [0,0,0,0,0,2|2,0,0]=4 1950 B10R0.96 CC(O)CNC(=O)CC(=O)N 527a_100000210904_100134613110 [0,0,0,0,0,2|2,0,0]=4 1951 B10R0.96 CN(C)CCC(=O)NC(=O)N 2230a_100102631434_100000237605 [0,0,0,0,0,2|2,0,0]=4 1952 B10R0.96 CN(C)CCC(=O)NC(=O)N 269982a_100102631434_100000237605 [0,0,0,0,0,2|2,0,0]=4 1953 B10R0.96 C[S+](C)CCC(=O)CC(=O)N 1458a_100009452791_100000187820 [0,0,0,0,0,2|2,0,0]=4 1954 B10R0.96 C[S+](C)CCC(=O)CC(=O)[O-] 1458a_100009452791_100020667443 [0,0,0,0,0,2|1,0,1]=4 1955 B10R0.98 C=C(Br)C(=O)NCCC(C)C 11a_100000210545_100009813364 [0,0,0,0,0,2|2,0,0]=4 1956 B10R0.98 C=C(Br)C(=O)NCCC(C)C 1626a_100000210545_100009813364 [0,0,0,0,0,2|2,0,0]=4 1957 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,0,0,0,0,2|2,0,0]=4 1958 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,0,0,0,0,2|2,0,0]=4 1959 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,0,0,0,0,2|2,0,0]=4 1960 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,0,0,0,0,2|2,0,0]=4 1961 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,0,0,0,0,2|2,0,0]=4 1962 B10R0.98 C=C(C)C(=O)NNCC(C)C 22a_100000696102_100000185857 [0,0,0,0,0,2|2,0,0]=4 1963 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 11a_100000210545_100000039160 [0,0,0,0,0,2|2,0,0]=4 1964 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 1626a_100000210545_100000039160 [0,0,0,0,0,2|2,0,0]=4 1965 B10R0.98 C=C(Cl)C(=O)NNCC(C)C 22a_100000696102_100000039160 [0,0,0,0,0,2|2,0,0]=4 1966 B10R0.98 C=C(F)C(=O)NCCC(C)C 11a_100000210545_100000036797 [0,0,0,0,0,2|2,0,0]=4 1967 B10R0.98 C=C(F)C(=O)NCCC(C)C 1626a_100000210545_100000036797 [0,0,0,0,0,2|2,0,0]=4 1968 B10R0.98 C=C(F)C(=O)NNCC(C)C 22a_100000696102_100000036797 [0,0,0,0,0,2|2,0,0]=4 1969 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,0,0,0,0,2|1,0,0]=3 1970 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,0,0,0,0,2|2,0,0]=4 1971 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,0,0,0,0,2|2,0,0]=4 1972 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,0,0,0,0,2|1,0,0]=3 1973 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,0,0,0,0,2|2,0,0]=4 1974 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,0,0,0,0,2|2,0,0]=4 1975 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,0,0,0,0,2|2,0,0]=4 1976 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,0,0,0,0,2|1,0,0]=3 1977 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,0,0,0,0,2|1,0,0]=3 1978 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,0,0,0,0,2|2,0,0]=4 1979 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,0,0,0,0,2|2,0,0]=4 1980 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,0,0,0,0,2|2,0,0]=4 1981 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,0,0,0,0,2|2,0,0]=4 1982 B10R0.98 CC(C)C=NNC(=O)C(=O)N 4a_100000211141_100000210432 [0,0,0,0,0,2|1,0,1]=4 1983 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [0,0,0,0,0,2|0,0,2]=4 1984 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,0,0,0,0,2|1,0,1]=4 1985 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,0,0,0,0,2|1,0,1]=4 1986 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,0,0,0,0,2|1,0,0]=3 1987 B10R0.98 CC(C)CCNC(=O)C(O)O 240690a_100000210545_100000233687 [0,0,0,0,0,2|0,0,2]=4 1988 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,0,0,0,0,2|1,0,1]=4 1989 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,0,0,0,0,2|1,0,1]=4 1990 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,0,0,0,0,2|1,0,1]=4 1991 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,0,0,0,2|1,0,1]=4 1992 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,0,0,0,0,2|1,0,1]=4 1993 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,0,0,0,0,2|1,0,1]=4 1994 B10R0.98 CC(C)CNNC(=O)C(=O)N 22a_100000696102_100011215815 [0,0,0,0,0,2|1,0,0]=3 1995 B10R0.98 CC(C)CNNC(=O)C(O)O 22a_100000696102_100000233687 [0,0,0,0,0,2|0,0,2]=4 1996 B10R0.98 CC(C)CNNC(=O)[C@@H](C)O 22a_100000696102_100000717761 [0,0,0,0,0,2|1,0,1]=4 1997 B10R0.98 CC(C)CNNC(=O)[C@H](C)O 22a_100000696102_217856618621 [0,0,0,0,0,2|1,0,1]=4 1998 B10R0.98 CC(C)OCCC(=O)C(O)O 1458a_100000233687_100000211751 [0,0,0,0,0,2|0,0,2]=4 1999 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,0,0,0,0,2|1,0,1]=4 2000 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,0,0,0,0,2|1,0,1]=4 2001 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,0,0,0,0,2|1,0,1]=4 2002 B10R0.98 CC(C)SCCC(=O)C(O)O 1458a_100000233687_100000730970 [0,0,0,0,0,2|0,0,2]=4 2003 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,0,0,0,0,2|1,0,1]=4 2004 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,0,0,0,0,2|1,0,1]=4 2005 B10R0.98 CC(O)CCNC(=O)C(=O)N 240690a_200000755665_100011215815 [0,0,0,0,0,2|2,0,0]=4 2006 B10R0.98 CC(O)CNNC(=O)C(=O)N 22a_200000730056_100011215815 [0,0,0,0,0,2|2,0,0]=4 2007 B10R0.98 CN(C)CCNC(=O)C(=O)N 240690a_100000210585_100011215815 [0,0,0,0,0,2|2,0,0]=4