0 B9R0.32 C#CC(C)(C)C(=O)C(=C)C 1458a_100000185857_100000038118 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.32 C#CC(C)(C)C(=O)C(O)O 1458a_100000233687_100000038118 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.32 C#CC(C)(C)C(=O)[C@@H](C)O 1458a_100000717761_100000038118 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.32 C#CC(C)(C)C(=O)[C@H](C)O 1458a_217856618621_100000038118 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.32 CC(=O)N(C)C(C)(C)CO 240690a_100015204102_100015343762 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.32 CC(=O)N(C)C(C)(C)CO 527a_100015204102_100103153847 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.32 CC(C)C(=O)C(C)(C)CF 1458a_100000138116_100000210206 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.32 CC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000210206 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.32 CCC(C)(C)C(=O)C(C)C 1458a_100000749717_100000210206 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.32 CCC(C)(C)C(=O)N(C)C 11a_100102631434_100000749717 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.32 CCC(C)(C)C(=O)N(C)C 1626a_100102631434_100000749717 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.32 CCC(C)(C)C(=O)N(C)C 240690a_100102631434_100000749717 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.32 CCC(C)(C)C(=O)N(C)C 527a_100102631434_100000749717 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.32 CN(C)C(=O)C(C)(C)CF 11a_100102631434_100000138116 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.32 CN(C)C(=O)C(C)(C)CF 1626a_100102631434_100000138116 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.32 CN(C)C(=O)C(C)(C)CF 240690a_100102631434_100000138116 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.32 CN(C)C(=O)C(C)(C)CF 527a_100102631434_100000138116 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.32 CN(C)C(=O)C(C)(C)CO 1626a_100102631434_100000749806 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.32 CN(C)C(=O)C(C)(C)CO 240690a_100102631434_100000749806 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.32 CN(C)C(=O)C(C)(C)CO 527a_100102631434_100000749806 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [1,0,0,0,0,0|1,0,2]=4 28 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.13 C#CC(C)(C)C(=O)C=C 1458a_100000185746_100000038118 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.13 C#CC(C)(C)C(=O)CO 1458a_100000210174_100000038118 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.13 CC(C)(CF)C(=O)CF 1458a_100000138116_100015361967 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.13 CNC(=O)C(C)(C)CF 11a_106832991635_100000138116 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.13 CNC(=O)C(C)(C)CF 1626a_100102657272_100000138116 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.13 CNC(=O)C(C)(C)CF 240690a_100102657272_100000138116 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.13 CNC(=O)C(C)(C)CF 527a_100102657272_100000138116 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [1,0,0,0,0,0|1,0,2]=4 55 B8R0.27 CC(C)C(=O)C(C)(C)C 1458a_106744555173_100000210206 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.27 CN(C)C(=O)C(C)(C)C 11a_100102631434_106744555173 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.27 CN(C)C(=O)C(C)(C)C 1626a_100102631434_106744555173 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.27 CN(C)C(=O)C(C)(C)C 240690a_100102631434_106744555173 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.27 CN(C)C(=O)C(C)(C)C 527a_100102631434_106744555173 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.27 CN(C)C(=O)C(C)(C)O 240690a_100102631434_100000242741 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [1,0,0,0,0,0|2,0,0]=3 64 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.39 C#CC(C)(C)C(=O)C(=O)NC 1458a_100011218921_100000038118 [0,1,0,0,0,0|2,0,1]=4 73 B10R0.39 C#CC(C)C(=O)C(C)(C)CO 1458a_100000749806_200000035995 [0,1,0,0,0,0|2,0,1]=4 74 B10R0.39 C=CC(=O)N(C)C(C)(C)CO 240690a_100015204102_200121576911 [0,1,0,0,0,0|3,0,0]=4 75 B10R0.39 CC(C#N)C(=O)C(C)(C)CO 1458a_100000749806_100000703298 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.39 CCC(=O)N(C)C(C)(C)CO 240690a_100015204102_100000210414 [0,1,0,0,0,0|3,0,0]=4 77 B10R0.39 CCC(=O)N(C)C(C)(C)CO 527a_100015204102_100000210414 [0,1,0,0,0,0|3,0,0]=4 78 B10R0.39 CCC(C)(C)N(C)C(=O)CO 240690a_200000755171_100000210174 [0,1,0,0,0,0|3,0,0]=4 79 B10R0.39 CCC(C)(C)N(C)C(=O)CO 527a_200000755171_100000210174 [0,1,0,0,0,0|3,0,0]=4 80 B10R0.39 CCC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000758301 [0,1,0,0,0,0|2,0,1]=4 81 B10R0.39 CCN(C)C(=O)C(C)(C)CO 1626a_100000225621_100000749806 [0,1,0,0,0,0|3,0,0]=4 82 B10R0.39 CCN(C)C(=O)C(C)(C)CO 240690a_100000225621_100000749806 [0,1,0,0,0,0|3,0,0]=4 83 B10R0.39 CCN(C)C(=O)C(C)(C)CO 527a_100000225621_100000749806 [0,1,0,0,0,0|3,0,0]=4 84 B10R0.39 CN(C(=O)CO)C(C)(C)CO 240690a_100015204102_100000210174 [0,1,0,0,0,0|2,0,0]=3 85 B10R0.39 CN(C(=O)CO)C(C)(C)CO 527a_100015204102_100000210174 [0,1,0,0,0,0|2,0,0]=3 86 B10R0.39 CNC(=O)N(C)C(C)(C)CO 2708a_100102657272_100015204102 [0,1,0,0,0,0|3,0,0]=4 87 B10R0.39 CNC(=O)N(C)C(C)(C)CO 273464a_100102657272_100015204102 [0,1,0,0,0,0|3,0,0]=4 88 B10R0.64 CC(C)(CO)C(=O)C(F)(F)F 1458a_100000749806_200000243211 [0,1,0,0,0,0|2,0,1]=4 89 B10R0.104 COCC(C)(C)N(C)C(=O)C 11a_100000734271_100015343762 [0,1,0,0,0,0|3,0,0]=4 90 B10R0.104 COCC(C)(C)N(C)C(=O)C 1626a_100000734271_100015343762 [0,1,0,0,0,0|3,0,0]=4 91 B10R0.104 COCC(C)(C)N(C)C(=O)C 240690a_100000734271_100015343762 [0,1,0,0,0,0|3,0,0]=4 92 B10R0.104 COCC(C)(C)N(C)C(=O)C 527a_100000734271_100103153847 [0,1,0,0,0,0|3,0,0]=4 93 B10R0.120 C=C(C)C(=O)C(C)(CC)CC 1458a_100000185857_100009817345 [0,1,0,0,0,0|3,0,0]=4 94 B10R0.120 CC(C)C(=O)C(C)(CO)CO 1458a_100000693232_100000210206 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.120 CCC(C)(CC)C(=O)C(O)O 1458a_100000233687_100009817345 [0,1,0,0,0,0|1,0,2]=4 96 B10R0.120 CCC(C)(CC)C(=O)[C@@H](C)O 1458a_100000717761_100009817345 [0,1,0,0,0,0|2,0,1]=4 97 B10R0.120 CCC(C)(CC)C(=O)[C@H](C)O 1458a_217856618621_100009817345 [0,1,0,0,0,0|2,0,1]=4 98 B10R0.120 CN(C)C(=O)C(C)(CO)CO 240690a_100102631434_100000693232 [0,1,0,0,0,0|3,0,0]=4 99 B10R0.140 CCN(C(=O)C)C(C)(C)CO 240690a_100000747347_100015343762 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.128 CC(=O)N1COCC1(C)C 1626a_100000043020_100015343762 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.128 CC(=O)N1COCC1(C)C 240690a_100000043020_100015343762 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.240 CC(C)C(=O)C1(CC1)CO 1458a_100012027107_100000210206 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.240 CN(C)C(=O)C1(CC1)CO 1626a_100102631434_100012027107 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.240 CN(C)C(=O)C1(CC1)CO 240690a_100102631434_100012027107 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.495 CC(C)C(=O)C1(COC1)C 1458a_100000094709_100000210206 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.495 CN(C)C(=O)C1(COC1)C 11a_100102631434_100000094709 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.495 CN(C)C(=O)C1(COC1)C 1626a_100102631434_100000094709 [0,0,0,1,0,0|3,0,0]=4 108 B10R1.495 CN(C)C(=O)C1(COC1)C 527a_100102631434_100000094709 [0,0,0,1,0,0|3,0,0]=4 109 B10R0.63 C#CC(C)(C)C(=O)CC(=O)N 1458a_100000079900_100000187820 [0,0,0,0,0,1|2,0,1]=4 110 B10R0.63 C#CC(C)(C)C(=O)CC(=O)N 1458a_100134613110_100000038118 [0,0,0,0,0,1|2,0,1]=4 111 B10R0.63 C#CC(C)(C)C(=O)CC(=O)[O-] 1458a_100000079900_100020667443 [0,0,0,0,0,1|1,0,2]=4 112 B10R0.63 C=C(C)CC(=O)C(C)(C)CC 1458a_100000749717_100000748629 [0,0,0,0,0,1|3,0,0]=4 113 B10R0.63 C=C(C)CC(=O)C(C)(C)CF 1458a_100000138116_100000748629 [0,0,0,0,0,1|3,0,0]=4 114 B10R0.63 C=C(C)CC(=O)C(C)(C)CO 1458a_100000749806_100000748629 [0,0,0,0,0,1|2,0,0]=3 115 B10R0.63 C=C(F)CC(=O)C(C)(C)CC 1458a_100000749717_100009893438 [0,0,0,0,0,1|3,0,0]=4 116 B10R0.63 C=C(F)CC(=O)C(C)(C)CF 1458a_100000138116_100009893438 [0,0,0,0,0,1|3,0,0]=4 117 B10R0.63 C=C(F)CC(=O)C(C)(C)CO 1458a_100000749806_100009893438 [0,0,0,0,0,1|2,0,0]=3 118 B10R0.63 C=CC(C)(C)C(=O)CC(=O)N 1458a_100012027013_100000187820 [0,0,0,0,0,1|2,0,1]=4 119 B10R0.63 C=CC(C)(C)C(=O)CC(=O)[O-] 1458a_100012027013_100020667443 [0,0,0,0,0,1|1,0,2]=4 120 B10R0.63 CC(C)(C#N)C(=O)CC(=O)N 1458a_100000740761_100000187820 [0,0,0,0,0,1|2,0,1]=4 121 B10R0.63 CC(C)(C#N)C(=O)CC(=O)[O-] 1458a_100000740761_100020667443 [0,0,0,0,0,1|1,0,2]=4 122 B10R0.63 CC(C)(CF)C(=O)CC(=O)N 1458a_100000138116_100000187820 [0,0,0,0,0,1|2,0,0]=3 123 B10R0.63 CC(C)(CF)C(=O)CC(=O)[O-] 1458a_100000138116_100020667443 [0,0,0,0,0,1|1,0,1]=3 124 B10R0.63 CC(C)(CF)C(=O)C[N+](=O)[O-] 1458a_100000138116_100000761209 [0,0,0,0,0,1|2,0,1]=4 125 B10R0.63 CC(C)(CO)C(=O)CC(=O)N 1458a_100000749806_100000187820 [0,0,0,0,0,1|1,0,0]=2 126 B10R0.63 CC(C)(CO)C(=O)CC(=O)[O-] 1458a_100000749806_100020667443 [0,0,0,0,0,1|0,0,1]=2 127 B10R0.63 CC(C)(CO)C(=O)CC(F)F 1458a_100000749806_100011934356 [0,0,0,0,0,1|2,0,1]=4 128 B10R0.63 CC(C)(CO)C(=O)C[N+](=O)[O-] 1458a_100000749806_100000761209 [0,0,0,0,0,1|1,0,1]=3 129 B10R0.63 CC(C)CC(=O)C(C)(C)CO 1458a_100000749806_100000210624 [0,0,0,0,0,1|2,0,1]=4 130 B10R0.63 CC(C)NC(=O)C(C)(C)CO 1626a_100138425928_100000749806 [0,0,0,0,0,1|2,0,1]=4 131 B10R0.63 CC(C)NC(=O)C(C)(C)CO 240690a_100138425928_100000749806 [0,0,0,0,0,1|2,0,1]=4 132 B10R0.63 CC(C)NC(=O)C(C)(C)CO 527a_100138425928_100000749806 [0,0,0,0,0,1|2,0,1]=4 133 B10R0.63 CC(O)CC(=O)C(C)(C)CF 1458a_100000138116_100011218427 [0,0,0,0,0,1|2,0,1]=4 134 B10R0.63 CC(O)CC(=O)C(C)(C)CO 1458a_100000749806_100011218427 [0,0,0,0,0,1|1,0,1]=3 135 B10R0.63 CCC(C)(C)C(=O)CC(=O)N 1458a_100000749717_100000187820 [0,0,0,0,0,1|2,0,0]=3 136 B10R0.63 CCC(C)(C)C(=O)CC(=O)[O-] 1458a_100000749717_100020667443 [0,0,0,0,0,1|1,0,1]=3 137 B10R0.63 CCC(C)(C)C(=O)CC(C)O 1458a_100000749717_100011218427 [0,0,0,0,0,1|2,0,1]=4 138 B10R0.63 CCC(C)(C)C(=O)C[N+](=O)[O-] 1458a_100000749717_100000761209 [0,0,0,0,0,1|2,0,1]=4 139 B10R0.63 CCC(C)(C)N(C)CC(=O)O 269956a_100000746989_100000032637 [0,0,0,0,0,1|3,0,0]=4 140 B10R0.63 CCC(C)(O)C(=O)CC(=O)N 1458a_100011219770_100000187820 [0,0,0,0,0,1|3,0,0]=4 141 B10R0.63 CCC(C)(O)C(=O)CC(=O)[O-] 1458a_100011219770_100020667443 [0,0,0,0,0,1|2,0,1]=4 142 B10R0.63 CN(CC(=O)N)C(C)(C)CO 269982a_100015204102_100000187820 [0,0,0,0,0,1|3,0,0]=4 143 B10R0.63 CN(CC(=O)[O-])C(C)(C)CO 269982a_100015204102_100020667443 [0,0,0,0,0,1|2,0,1]=4 144 B10R0.63 COC(C)(C)C(=O)CC(=O)N 1458a_100000753492_100000187820 [0,0,0,0,0,1|3,0,0]=4 145 B10R0.63 COC(C)(C)C(=O)CC(=O)[O-] 1458a_100000753492_100020667443 [0,0,0,0,0,1|2,0,1]=4 146 B10R0.67 C#CC(C)(C)NC(=O)C(=O)N 240690a_100000054563_100011215815 [0,0,0,0,0,1|2,0,1]=4 147 B10R0.67 C=C(Br)C(=O)NC(C)(C)CC 11a_100000211385_100009813364 [0,0,0,0,0,1|3,0,0]=4 148 B10R0.67 C=C(Br)C(=O)NC(C)(C)CC 1626a_100000211385_100009813364 [0,0,0,0,0,1|3,0,0]=4 149 B10R0.67 C=C(C)C(=O)NC(C)(C)CC 11a_100000211385_100000185857 [0,0,0,0,0,1|3,0,0]=4 150 B10R0.67 C=C(C)C(=O)NC(C)(C)CC 1626a_100000211385_100000185857 [0,0,0,0,0,1|3,0,0]=4 151 B10R0.67 C=C(Cl)C(=O)NC(C)(C)CC 11a_100000211385_100000039160 [0,0,0,0,0,1|3,0,0]=4 152 B10R0.67 C=C(Cl)C(=O)NC(C)(C)CC 1626a_100000211385_100000039160 [0,0,0,0,0,1|3,0,0]=4 153 B10R0.67 C=C(F)C(=O)NC(C)(C)CC 11a_100000211385_100000036797 [0,0,0,0,0,1|3,0,0]=4 154 B10R0.67 C=C(F)C(=O)NC(C)(C)CC 1626a_100000211385_100000036797 [0,0,0,0,0,1|3,0,0]=4 155 B10R0.67 CC(=O)C(C)NC(C)(C)CO 2230a_100000210608_100009814033 [0,0,0,0,0,1|2,0,1]=4 156 B10R0.67 CC(=O)N(C)CC(C)(C)CO 240690a_100000732702_100015343762 [0,0,0,0,0,1|3,0,0]=4 157 B10R0.67 CC(=O)N(C)CC(C)(C)CO 527a_100000732702_100103153847 [0,0,0,0,0,1|3,0,0]=4 158 B10R0.67 CC(C)(CO)NC(=O)C(=O)N 240690a_100000210608_100011215815 [0,0,0,0,0,1|1,0,0]=2 159 B10R0.67 CC(C)(CO)NC(=O)C(F)F 240690a_100000210608_100000210393 [0,0,0,0,0,1|2,0,1]=4 160 B10R0.67 CC(C)(CO)NC(=O)C(F)F 527a_100020618417_100000210393 [0,0,0,0,0,1|2,0,1]=4 161 B10R0.67 CC(C)(CO)NC(=O)C(O)O 240690a_100000210608_100000233687 [0,0,0,0,0,1|0,0,2]=3 162 B10R0.67 CC(C)(CO)NC(F)C(=O)N 2230a_100000210608_100009813875 [0,0,0,0,0,1|2,0,1]=4 163 B10R0.67 CC(C)C(=O)NC(C)(C)CO 240690a_100000210608_100000210198 [0,0,0,0,0,1|2,0,1]=4 164 B10R0.67 CC(C)C(=O)NC(C)(C)CO 527a_100020618417_100000210198 [0,0,0,0,0,1|2,0,1]=4 165 B10R0.67 CC(F)C(=O)NC(C)(C)CO 240690a_100000210608_100000062450 [0,0,0,0,0,1|2,0,1]=4 166 B10R0.67 CC(F)C(=O)NC(C)(C)CO 527a_100020618417_100000062450 [0,0,0,0,0,1|2,0,1]=4 167 B10R0.67 CC(NC(C)(C)CO)C(=O)N 2230a_100000210608_100000702099 [0,0,0,0,0,1|2,0,1]=4 168 B10R0.67 CCC(C)(C)NC(=O)C(=O)C 1458a_200011297151_200000210301 [0,0,0,0,0,1|2,0,0]=3 169 B10R0.67 CCC(C)(C)NC(=O)C(=O)N 240690a_100000211385_100011215815 [0,0,0,0,0,1|2,0,0]=3 170 B10R0.67 CCC(C)(C)NC(=O)C(=O)[13CH3] 1458a_200011297151_200025704644 [0,0,0,0,0,1|2,0,0]=3 171 B10R0.67 CCC(C)(C)NC(=O)C(O)O 240690a_100000211385_100000233687 [0,0,0,0,0,1|1,0,2]=4 172 B10R0.67 CCC(C)(C)NC(=O)[C@@H](C)O 240690a_100000211385_100000717761 [0,0,0,0,0,1|2,0,1]=4 173 B10R0.67 CCC(C)(C)NC(=O)[C@H](C)O 1626a_100000211385_217856618621 [0,0,0,0,0,1|2,0,1]=4 174 B10R0.67 CCC(C)(C)NC(=O)[C@H](C)O 240690a_100000211385_217856618621 [0,0,0,0,0,1|2,0,1]=4 175 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,0,0,0,0,1|2,0,1]=4 176 B10R0.67 C[C@@H](O)C(=O)NC(C)(C)CO 240690a_100000210608_100000717761 [0,0,0,0,0,1|1,0,1]=3 177 B10R0.67 C[C@H](O)C(=O)NC(C)(C)CO 240690a_100000210608_217856618621 [0,0,0,0,0,1|1,0,1]=3 178 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [2,0,0,0,0,0|1,0,1]=4 179 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [2,0,0,0,0,0|2,0,0]=4 180 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [2,0,0,0,0,0|2,0,0]=4 181 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [2,0,0,0,0,0|2,0,0]=4 182 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [2,0,0,0,0,0|1,0,1]=4 183 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [2,0,0,0,0,0|1,0,1]=4 184 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [2,0,0,0,0,0|0,0,2]=4 185 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [2,0,0,0,0,0|2,0,0]=4 186 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [2,0,0,0,0,0|1,0,1]=4 187 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [2,0,0,0,0,0|2,0,0]=4 188 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [2,0,0,0,0,0|2,0,0]=4 189 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [2,0,0,0,0,0|0,0,2]=4 190 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [2,0,0,0,0,0|1,0,1]=4 191 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [2,0,0,0,0,0|1,0,1]=4 192 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [2,0,0,0,0,0|2,0,0]=4 193 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [2,0,0,0,0,0|2,0,0]=4 194 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [2,0,0,0,0,0|1,0,1]=4 195 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [2,0,0,0,0,0|0,0,1]=3 196 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [2,0,0,0,0,0|1,0,1]=4 197 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [2,0,0,0,0,0|0,0,1]=3 198 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [2,0,0,0,0,0|1,0,1]=4 199 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [2,0,0,0,0,0|1,0,1]=4 200 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [2,0,0,0,0,0|1,0,1]=4 201 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [2,0,0,0,0,0|1,0,1]=4 202 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [2,0,0,0,0,0|1,0,1]=4 203 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [2,0,0,0,0,0|1,0,1]=4 204 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [2,0,0,0,0,0|2,0,0]=4 205 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [2,0,0,0,0,0|2,0,0]=4 206 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [2,0,0,0,0,0|2,0,0]=4 207 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [2,0,0,0,0,0|2,0,0]=4 208 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [2,0,0,0,0,0|2,0,0]=4 209 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [2,0,0,0,0,0|1,0,1]=4 210 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [2,0,0,0,0,0|1,0,1]=4 211 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [2,0,0,0,0,0|2,0,0]=4 212 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [2,0,0,0,0,0|2,0,0]=4 213 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [2,0,0,0,0,0|2,0,0]=4 214 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [2,0,0,0,0,0|2,0,0]=4 215 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [2,0,0,0,0,0|1,0,1]=4 216 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [2,0,0,0,0,0|1,0,1]=4 217 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [1,1,0,0,0,0|2,0,0]=4 218 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [1,1,0,0,0,0|2,0,0]=4 219 B9R0.6 CC(CCO)C(=O)C(O)O 1458a_100000233687_100009893172 [1,1,0,0,0,0|0,0,2]=4 220 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [1,1,0,0,0,0|1,0,1]=4 221 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [1,1,0,0,0,0|1,0,1]=4 222 B9R0.6 CN(CCO)C(=O)C(=O)N 240690a_100000210263_100011215815 [1,1,0,0,0,0|2,0,0]=4 223 B9R0.6 COCC(C)C(=O)C(O)O 1458a_100000233687_100000765312 [1,1,0,0,0,0|0,0,2]=4 224 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [1,1,0,0,0,0|1,0,1]=4 225 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [1,1,0,0,0,0|1,0,1]=4 226 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [1,1,0,0,0,0|2,0,0]=4 227 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [1,1,0,0,0,0|2,0,0]=4 228 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [1,1,0,0,0,0|2,0,0]=4 229 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [1,1,0,0,0,0|2,0,0]=4 230 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [1,1,0,0,0,0|2,0,0]=4 231 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [1,1,0,0,0,0|2,0,0]=4 232 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [1,1,0,0,0,0|2,0,0]=4 233 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [1,1,0,0,0,0|2,0,0]=4 234 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [1,1,0,0,0,0|2,0,0]=4 235 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [1,1,0,0,0,0|2,0,0]=4 236 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [1,1,0,0,0,0|2,0,0]=4 237 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [1,1,0,0,0,0|2,0,0]=4 238 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [1,1,0,0,0,0|2,0,0]=4 239 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [1,1,0,0,0,0|2,0,0]=4 240 B9R0.19 C#CCC(=O)C(C)(C)CO 1458a_100000749806_100000184674 [1,1,0,0,0,0|1,0,1]=4 241 B9R0.19 C=CCC(=O)C(C)(C)CC 1458a_100000749717_100000210623 [1,1,0,0,0,0|2,0,0]=4 242 B9R0.19 C=CCC(=O)C(C)(C)CF 1458a_100000138116_100000210623 [1,1,0,0,0,0|2,0,0]=4 243 B9R0.19 C=CCC(=O)C(C)(C)CO 1458a_100000749806_100000210623 [1,1,0,0,0,0|1,0,0]=3 244 B9R0.19 CC(C)(CF)C(=O)CCO 1458a_100000138116_100000211926 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.19 CC(C)(CO)C(=O)CC#N 1458a_100000749806_100011214920 [1,1,0,0,0,0|1,0,1]=4 246 B9R0.19 CC(C)(CO)C(=O)CCF 1458a_100000749806_100011217306 [1,1,0,0,0,0|1,0,1]=4 247 B9R0.19 CC(C)(CO)C(=O)CCO 1458a_100000749806_100000211926 [1,1,0,0,0,0|0,0,1]=3 248 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [1,1,0,0,0,0|1,0,1]=4 249 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [1,1,0,0,0,0|1,0,1]=4 250 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [1,1,0,0,0,0|1,0,1]=4 251 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [1,1,0,0,0,0|1,0,1]=4 252 B9R0.19 CN(CC=O)C(C)(C)CO 269982a_100015204102_200015260668 [1,1,0,0,0,0|2,0,0]=4 253 B9R0.19 CNNC(=O)C(C)(C)CO 22a_100016993582_100000749806 [1,1,0,0,0,0|2,0,0]=4 254 B9R0.60 CNC(=O)C(C)(C)COC 34a_100138415774_100000702813 [1,1,0,0,0,0|2,0,0]=4 255 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [1,1,0,0,0,0|2,0,0]=4 256 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [1,1,0,0,0,0|2,0,0]=4 257 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [1,1,0,0,0,0|2,0,0]=4 258 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [1,1,0,0,0,0|2,0,0]=4 259 B9R0.69 C=CC(=O)C(C)(CC)CC 1458a_100000185746_100009817345 [1,1,0,0,0,0|2,0,0]=4 260 B9R0.69 CC(CO)(CO)C(=O)CF 1458a_100000693232_100015361967 [1,1,0,0,0,0|1,0,1]=4 261 B9R0.69 CCC(=O)C(C)(CO)CO 1458a_100000693232_100000210202 [1,1,0,0,0,0|1,0,1]=4 262 B9R0.69 CCC(C)(CC)C(=O)CO 1458a_100000210174_100009817345 [1,1,0,0,0,0|1,0,1]=4 263 B9R0.69 CNC(=O)C(C)(CO)CO 240690a_100102657272_100000693232 [1,1,0,0,0,0|2,0,0]=4 264 B9R0.72 CC(C)(C)[C@@H](N[13CH3])C(=O)O 269956a_100000753415_200025704644 [1,1,0,0,0,0|1,0,1]=4 265 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [1,1,0,0,0,0|1,0,1]=4 266 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_200000210301 [1,1,0,0,0,0|1,0,1]=4 267 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [1,1,0,0,0,0|1,0,1]=4 268 B9R0.22 C=CC(=O)NC(C)(C)CO 240690a_100000210608_200121576911 [1,1,0,0,0,0|2,0,0]=4 269 B9R0.22 CC(C)(CO)NC(=O)CO 240690a_100000210608_100000210174 [1,1,0,0,0,0|1,0,0]=3 270 B9R0.22 CC(C)(CO)NC(=O)CO 527a_100020618417_100000210174 [1,1,0,0,0,0|1,0,0]=3 271 B9R0.22 CCC(=O)NC(C)(C)CO 240690a_100000210608_100000210414 [1,1,0,0,0,0|2,0,0]=4 272 B9R0.22 CCC(=O)NC(C)(C)CO 527a_100020618417_100000210414 [1,1,0,0,0,0|2,0,0]=4 273 B9R0.22 CCC(C)(C)NC(=O)CO 240690a_100000211385_100000210174 [1,1,0,0,0,0|2,0,0]=4 274 B9R0.22 CCC(C)(C)NC(=O)CO 527a_100000211385_100000210174 [1,1,0,0,0,0|2,0,0]=4 275 B9R0.22 CNC(=O)NC(C)(C)CO 2708a_100102657272_100000210608 [1,1,0,0,0,0|2,0,0]=4 276 B9R0.22 CNC(=O)NC(C)(C)CO 273464a_100000210608_100102657272 [1,1,0,0,0,0|2,0,0]=4 277 B9R0.22 CNC(=O)NC(C)(C)CO 273464a_100102657272_100000210608 [1,1,0,0,0,0|2,0,0]=4 278 B9R0.22 CNC(=O)NC(C)(C)CO 512a_100000210608_100102657272 [1,1,0,0,0,0|2,0,0]=4 279 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [1,1,0,0,0,0|2,0,0]=4 280 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [1,1,0,0,0,0|2,0,0]=4 281 B9R0.58 CC(C)(CC(=O)O)NCF 269956a_100000755897_100015361967 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [1,1,0,0,0,0|2,0,0]=4 284 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [1,1,0,0,0,0|2,0,0]=4 285 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [1,1,0,0,0,0|2,0,0]=4 286 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [1,1,0,0,0,0|2,0,0]=4 287 B9R0.63 CC(=O)NC(C)(CO)CO 240690a_100000764395_100015343762 [1,1,0,0,0,0|2,0,0]=4 288 B9R0.63 CC(=O)NC(C)(CO)CO 527a_100000764395_100103153847 [1,1,0,0,0,0|2,0,0]=4 289 B9R0.63 CCC(C)(CO)NC(=O)C 240690a_100000747662_100015343762 [1,1,0,0,0,0|2,0,0]=4 290 B9R0.63 CCC(C)(CO)NC(=O)C 527a_100000747662_100103153847 [1,1,0,0,0,0|2,0,0]=4 291 B11R0.50 C#CC(C)(C)C(=O)CC(=O)OC 1458a_100000079900_100000747449 [0,1,0,0,0,1|1,0,1]=4 292 B11R0.50 C#CC(C)(C)C(=O)CC(=O)OC 1458a_100000211351_100000038118 [0,1,0,0,0,1|1,0,1]=4 293 B11R0.50 C=C(C#N)CC(=O)C(C)(C)CO 1458a_100000749806_100000694840 [0,1,0,0,0,1|2,0,0]=4 294 B11R0.50 C=CC(C)(C)C(=O)CC(=O)OC 1458a_100012027013_100000747449 [0,1,0,0,0,1|1,0,1]=4 295 B11R0.50 CCC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000747405 [0,1,0,0,0,1|2,0,0]=4 296 B11R0.50 CCC(=O)CC(=O)C(C)(C)CF 1458a_100000138116_100000747405 [0,1,0,0,0,1|2,0,0]=4 297 B11R0.50 CCC(=O)CC(=O)C(C)(C)CO 1458a_100000749806_100000747405 [0,1,0,0,0,1|1,0,0]=3 298 B11R0.50 CCC(C)(C)C(=O)CC(=O)NC 1458a_100000749717_100000183359 [0,1,0,0,0,1|2,0,0]=4 299 B11R0.50 CCC(C)(C)C(=O)CC(=O)OC 1458a_100000749717_100000747449 [0,1,0,0,0,1|1,0,0]=3 300 B11R0.50 CCC(C)(O)C(=O)CC(=O)OC 1458a_100011219770_100000747449 [0,1,0,0,0,1|2,0,0]=4 301 B11R0.50 CCC(O)CC(=O)C(C)(C)CO 1458a_100000749806_100011218378 [0,1,0,0,0,1|1,0,1]=4 302 B11R0.50 CNC(=O)CC(=O)C(C)(C)CF 1458a_100000138116_100000183359 [0,1,0,0,0,1|2,0,0]=4 303 B11R0.50 CNC(=O)CC(=O)C(C)(C)CO 1458a_100000749806_100000183359 [0,1,0,0,0,1|1,0,0]=3 304 B11R0.50 COC(=O)CC(=O)C(C)(C)C#N 1458a_100000740761_100000747449 [0,1,0,0,0,1|1,0,1]=4 305 B11R0.50 COC(=O)CC(=O)C(C)(C)CF 1458a_100000138116_100000747449 [0,1,0,0,0,1|1,0,0]=3 306 B11R0.50 COC(=O)CC(=O)C(C)(C)CO 1458a_100000749806_100000747449 [0,1,0,0,0,1|0,0,0]=2 307 B11R0.50 COC(=O)CC(=O)C(C)(C)OC 1458a_100000753492_100000747449 [0,1,0,0,0,1|2,0,0]=4 308 B11R0.50 COC(=O)CN(C)C(C)(C)CO 269982a_100015204102_100000747449 [0,1,0,0,0,1|2,0,0]=4 309 B11R0.50 C[C@@H](CO)CC(=O)C(C)(C)CO 1458a_100000749806_100000059175 [0,1,0,0,0,1|1,0,1]=4 310 B11R0.50 C[C@H](CO)NC(=O)C(C)(C)CO 240690a_100000737577_100000749806 [0,1,0,0,0,1|1,0,1]=4 311 B11R0.50 C[C@H](CO)NC(=O)C(C)(C)CO 527a_100000737577_100000749806 [0,1,0,0,0,1|1,0,1]=4 312 B11R0.99 C=CCC(C)(C)C(=O)CC(=O)N 1458a_100000705796_100000187820 [0,1,0,0,0,1|2,0,0]=4 313 B11R0.99 C=CCC(C)(C)C(=O)CC(=O)[O-] 1458a_100000705796_100020667443 [0,1,0,0,0,1|1,0,1]=4 314 B11R0.99 CCCC(C)(C)C(=O)CC(=O)N 1458a_100011215034_100000187820 [0,1,0,0,0,1|2,0,0]=4 315 B11R0.99 CCCC(C)(C)C(=O)CC(=O)[O-] 1458a_100011215034_100020667443 [0,1,0,0,0,1|1,0,1]=4 316 B11R0.99 CCOC(C)(C)C(=O)CC(=O)N 1458a_100011458965_100000187820 [0,1,0,0,0,1|2,0,0]=4 317 B11R0.99 CCOC(C)(C)C(=O)CC(=O)[O-] 1458a_100011458965_100020667443 [0,1,0,0,0,1|1,0,1]=4 318 B11R0.128 CC(=O)C(C)C(=O)C(C)(C)CF 1458a_100000138116_100000179758 [0,1,0,0,0,1|2,0,0]=4 319 B11R0.128 CC(=O)C(C)C(=O)C(C)(C)CO 1458a_100000749806_100000179758 [0,1,0,0,0,1|1,0,0]=3 320 B11R0.128 CC(C(=O)N)C(=O)C(C)(C)CF 1458a_100000138116_100000702099 [0,1,0,0,0,1|2,0,0]=4 321 B11R0.128 CC(C(=O)N)C(=O)C(C)(C)CO 1458a_100000749806_100000702099 [0,1,0,0,0,1|1,0,0]=3 322 B11R0.128 CC(C)(CF)C(=O)C(F)C(=O)N 1458a_100000138116_100009813875 [0,1,0,0,0,1|2,0,0]=4 323 B11R0.128 CC(C)(CF)C(=O)C(F)C(=O)[O-] 1458a_100000138116_100020610796 [0,1,0,0,0,1|1,0,1]=4 324 B11R0.128 CC(C)(CO)C(=O)C(F)C(=O)N 1458a_100000749806_100009813875 [0,1,0,0,0,1|1,0,0]=3 325 B11R0.128 CC(C)(CO)C(=O)C(F)C(=O)[O-] 1458a_100000749806_100020610796 [0,1,0,0,0,1|0,0,1]=3 326 B11R0.128 CCC(C)(C)C(=O)C(C)C(=O)C 1458a_100000749717_100000179758 [0,1,0,0,0,1|2,0,0]=4 327 B11R0.128 CCC(C)(C)C(=O)C(C)C(=O)N 1458a_100000749717_100000702099 [0,1,0,0,0,1|2,0,0]=4 328 B11R0.128 CCC(C)(C)C(=O)C(F)C(=O)N 1458a_100000749717_100009813875 [0,1,0,0,0,1|2,0,0]=4 329 B11R0.128 CCC(C)(C)C(=O)C(F)C(=O)[O-] 1458a_100000749717_100020610796 [0,1,0,0,0,1|1,0,1]=4 330 B11R0.322 CC(C)(CO)C(=O)CS(=O)(=O)N 1458a_100000749806_100000741382 [0,1,0,0,0,1|1,0,1]=4 331 B11R0.322 CC(C)(CO)C(=O)CS(=O)(=O)[O-] 1458a_100000749806_100009817235 [0,1,0,0,0,1|1,0,1]=4 332 B11R0.322 CC(C)(CO)C(=O)NS(=O)(=O)C 2740a_100000171171_100000749806 [0,1,0,0,0,1|1,0,1]=4 333 B11R0.366 C=C(C)CC(=O)C(C)(CO)CO 1458a_100000693232_100000748629 [0,1,0,0,0,1|2,0,0]=4 334 B11R0.366 C=C(F)CC(=O)C(C)(CO)CO 1458a_100000693232_100009893438 [0,1,0,0,0,1|2,0,0]=4 335 B11R0.366 CC(CO)(CO)C(=O)CC(=O)N 1458a_100000693232_100000187820 [0,1,0,0,0,1|1,0,0]=3 336 B11R0.366 CC(CO)(CO)C(=O)CC(=O)[O-] 1458a_100000693232_100020667443 [0,1,0,0,0,1|0,0,1]=3 337 B11R0.366 CC(CO)(CO)C(=O)C[N+](=O)[O-] 1458a_100000693232_100000761209 [0,1,0,0,0,1|1,0,1]=4 338 B11R0.366 CC(O)CC(=O)C(C)(CO)CO 1458a_100000693232_100011218427 [0,1,0,0,0,1|1,0,1]=4 339 B11R0.366 CCC(C)(CC)C(=O)CC(=O)N 1458a_100000760562_100000187820 [0,1,0,0,0,1|2,0,0]=4 340 B11R0.366 CCC(C)(CC)C(=O)CC(=O)N 1458a_100134613110_100009817345 [0,1,0,0,0,1|2,0,0]=4 341 B11R0.366 CCC(C)(CC)C(=O)CC(=O)[O-] 1458a_100000760562_100020667443 [0,1,0,0,0,1|1,0,1]=4 342 B11R0.126 CC(C)(CO)NC(=O)C(C)(C)O 240690a_100000210608_100000242741 [0,1,0,0,0,1|1,0,1]=4 343 B11R0.169 CC(C)C(C)(C)NC(=O)C(=O)N 240690a_200160471154_100011215815 [0,1,0,0,0,1|2,0,0]=4 344 B11R0.184 C=C(Br)C(=O)NC(C)(C)COC 11a_100000752728_100009813364 [0,1,0,0,0,1|2,0,0]=4 345 B11R0.184 C=C(Br)C(=O)NC(C)(C)COC 1626a_100000752728_100009813364 [0,1,0,0,0,1|2,0,0]=4 346 B11R0.184 C=C(C)C(=O)NC(C)(C)COC 11a_100000752728_100000185857 [0,1,0,0,0,1|2,0,0]=4 347 B11R0.184 C=C(C)C(=O)NC(C)(C)COC 1626a_100000752728_100000185857 [0,1,0,0,0,1|2,0,0]=4 348 B11R0.184 C=C(Cl)C(=O)NC(C)(C)COC 11a_100000752728_100000039160 [0,1,0,0,0,1|2,0,0]=4 349 B11R0.184 C=C(Cl)C(=O)NC(C)(C)COC 1626a_100000752728_100000039160 [0,1,0,0,0,1|2,0,0]=4 350 B11R0.184 C=C(F)C(=O)NC(C)(C)COC 11a_100000752728_100000036797 [0,1,0,0,0,1|2,0,0]=4 351 B11R0.184 C=C(F)C(=O)NC(C)(C)COC 1626a_100000752728_100000036797 [0,1,0,0,0,1|2,0,0]=4 352 B11R0.184 CC(C)(CCO)NC(=O)C(=O)N 240690a_100000763138_100011215815 [0,1,0,0,0,1|1,0,0]=3 353 B11R0.184 CC(C)(CCO)NC(=O)C(O)O 240690a_100000763138_100000233687 [0,1,0,0,0,1|0,0,2]=4 354 B11R0.184 COCC(C)(C)NC(=O)C(=O)N 240690a_100000752728_100011215815 [0,1,0,0,0,1|1,0,0]=3 355 B11R0.184 COCC(C)(C)NC(=O)C(O)O 240690a_100000752728_100000233687 [0,1,0,0,0,1|0,0,2]=4 356 B11R0.184 COCC(C)(C)NC(=O)[C@@H](C)O 240690a_100000752728_100000717761 [0,1,0,0,0,1|1,0,1]=4 357 B11R0.184 COCC(C)(C)NC(=O)[C@H](C)O 1626a_100000752728_217856618621 [0,1,0,0,0,1|1,0,1]=4 358 B11R0.184 COCC(C)(C)NC(=O)[C@H](C)O 240690a_100000752728_217856618621 [0,1,0,0,0,1|1,0,1]=4 359 B11R0.184 CSCC(C)(C)NC(=O)C(=O)N 240690a_100000759623_100011215815 [0,1,0,0,0,1|1,1,0]=4 360 B11R0.184 C[C@@H](O)C(=O)NC(C)(C)CCO 240690a_100000763138_100000717761 [0,1,0,0,0,1|1,0,1]=4 361 B11R0.184 C[C@H](O)C(=O)NC(C)(C)CCO 240690a_100000763138_217856618621 [0,1,0,0,0,1|1,0,1]=4 362 B11R0.209 C#CC(C)(C)NC(=O)C(=O)OC 11a_100000054563_100000024059 [0,1,0,0,0,1|1,0,1]=4 363 B11R0.209 C#CC(C)(C)NC(=O)C(=O)OC 1626a_100000054563_100000024059 [0,1,0,0,0,1|1,0,1]=4 364 B11R0.209 C#CC(C)(C)NC(=O)C(=O)OC 240690a_100000054563_100000024059 [0,1,0,0,0,1|1,0,1]=4 365 B11R0.209 CC(C)(CO)NC(=O)C(O)CO 240690a_100000210608_100011215603 [0,1,0,0,0,1|0,0,2]=4 366 B11R0.209 CCC(=O)C(=O)NC(C)(C)CC 1458a_200011297151_100000210202 [0,1,0,0,0,1|2,0,0]=4 367 B11R0.209 CCC(C)(C)NC(=O)C(=O)CF 1458a_200011297151_100015361967 [0,1,0,0,0,1|2,0,0]=4 368 B11R0.209 CCC(C)(C)NC(=O)C(=O)NC 1626a_100000211385_100011218921 [0,1,0,0,0,1|2,0,0]=4 369 B11R0.209 CCC(C)(C)NC(=O)C(=O)NC 1626a_100102657272_200011297151 [0,1,0,0,0,1|2,0,0]=4 370 B11R0.209 CCC(C)(C)NC(=O)C(=O)NC 240690a_100000211385_100011218921 [0,1,0,0,0,1|2,0,0]=4 371 B11R0.209 CCC(C)(C)NC(=O)C(=O)NC 240690a_100102657272_200011297151 [0,1,0,0,0,1|2,0,0]=4 372 B11R0.209 CCC(C)(C)NC(=O)C(=O)NC 527a_100000211385_100011218921 [0,1,0,0,0,1|2,0,0]=4 373 B11R0.209 CCC(C)(C)NC(=O)C(=O)NC 527a_100102657272_200011297151 [0,1,0,0,0,1|2,0,0]=4 374 B11R0.209 CCC(C)(C)NC(=O)C(=O)OC 11a_100000211385_100000024059 [0,1,0,0,0,1|1,0,0]=3 375 B11R0.209 CCC(C)(C)NC(=O)C(=O)OC 1626a_100000211385_100000024059 [0,1,0,0,0,1|1,0,0]=3 376 B11R0.209 CCC(C)(C)NC(=O)C(=O)OC 240690a_100000211385_100000024059 [0,1,0,0,0,1|1,0,0]=3 377 B11R0.209 CCC(C)(C)NC(=O)C(=O)OC 527a_100000211385_100000024059 [0,1,0,0,0,1|1,0,0]=3 378 B11R0.209 CCC(O)C(=O)NC(C)(C)CO 240690a_100000210608_100011196387 [0,1,0,0,0,1|1,0,1]=4 379 B11R0.209 CN(CC(C)(C)CO)C(=O)CO 240690a_100000732702_100000210174 [0,1,0,0,0,1|2,0,0]=4 380 B11R0.209 CN(CC(C)(C)CO)C(=O)CO 527a_100000732702_100000210174 [0,1,0,0,0,1|2,0,0]=4 381 B11R0.209 CNC(=O)C(=O)NC(C)(C)CO 240690a_100000210608_100011218921 [0,1,0,0,0,1|1,0,0]=3 382 B11R0.209 CNC(=O)C(=O)NC(C)(C)CO 527a_100020618417_100011218921 [0,1,0,0,0,1|1,0,0]=3 383 B11R0.209 COC(=O)C(=O)NC(C)(C)C#N 11a_100000761509_100000024059 [0,1,0,0,0,1|1,0,1]=4 384 B11R0.209 COC(=O)C(=O)NC(C)(C)C#N 1626a_100000761509_100000024059 [0,1,0,0,0,1|1,0,1]=4 385 B11R0.209 COC(=O)C(=O)NC(C)(C)C#N 527a_100000761509_100000024059 [0,1,0,0,0,1|1,0,1]=4 386 B11R0.209 COC(=O)C(=O)NC(C)(C)CO 240690a_100000210608_100000024059 [0,1,0,0,0,1|0,0,0]=2 387 B11R0.209 COC(=O)C(=O)NC(C)(C)CO 527a_100020618417_100000024059 [0,1,0,0,0,1|0,0,0]=2 388 B11R0.209 COC(=O)C(C)NC(C)(C)CO 2230a_100000210608_100000211248 [0,1,0,0,0,1|1,0,1]=4 389 B11R0.209 COC(C)C(=O)NC(C)(C)CO 240690a_100000210608_100000743197 [0,1,0,0,0,1|1,0,1]=4 390 B11R0.209 COC(C)C(=O)NC(C)(C)CO 527a_100020618417_100000743197 [0,1,0,0,0,1|1,0,1]=4 391 B11R0.211 CC(CO)(CO)NC(=O)C(=O)N 240690a_100000764395_100011215815 [0,1,0,0,0,1|1,0,0]=3 392 B11R0.211 CC(CO)(CO)NC(=O)C(O)O 240690a_100000764395_100000233687 [0,1,0,0,0,1|0,0,2]=4 393 B11R0.211 CCC(C)(CO)NC(=O)C(=O)N 240690a_100000747662_100011215815 [0,1,0,0,0,1|1,0,0]=3 394 B11R0.211 CCC(C)(CO)NC(=O)C(O)O 240690a_100000747662_100000233687 [0,1,0,0,0,1|0,0,2]=4 395 B11R0.211 CCC(C)(CO)NC(=O)[C@@H](C)O 240690a_100000747662_100000717761 [0,1,0,0,0,1|1,0,1]=4 396 B11R0.211 CCC(C)(CO)NC(=O)[C@H](C)O 240690a_100000747662_217856618621 [0,1,0,0,0,1|1,0,1]=4 397 B11R0.211 C[C@@H](O)C(=O)NC(C)(CO)CO 240690a_100000764395_100000717761 [0,1,0,0,0,1|1,0,1]=4 398 B11R0.211 C[C@H](O)C(=O)NC(C)(CO)CO 240690a_100000764395_217856618621 [0,1,0,0,0,1|1,0,1]=4 399 B11R0.103 COCC(C)(C)N(C)C(=O)CO 240690a_100000734271_100000210174 [0,2,0,0,0,0|2,0,0]=4 400 B11R0.103 COCC(C)(C)N(C)C(=O)CO 527a_100000734271_100000210174 [0,2,0,0,0,0|2,0,0]=4 401 B11R0.122 CC(CCO)C(=O)C(C)(C)CO 1458a_100000749806_100009893172 [0,2,0,0,0,0|1,0,1]=4 402 B11R0.122 CN(C(=O)CCO)C(C)(C)CO 240690a_100015204102_100011216618 [0,2,0,0,0,0|2,0,0]=4 403 B11R0.122 CN(CCO)C(=O)C(C)(C)CO 240690a_100000210263_100000749806 [0,2,0,0,0,0|2,0,0]=4 404 B11R0.122 CN(CCO)C(=O)C(C)(C)CO 527a_100000210263_100000749806 [0,2,0,0,0,0|2,0,0]=4 405 B11R0.122 COCC(=O)N(C)C(C)(C)CO 240690a_100015204102_100000210968 [0,2,0,0,0,0|2,0,0]=4 406 B11R0.122 COCC(=O)N(C)C(C)(C)CO 527a_100015204102_100000210968 [0,2,0,0,0,0|2,0,0]=4 407 B11R0.122 COCC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000765312 [0,2,0,0,0,0|1,0,1]=4 408 B11R0.258 CCC(C)(CC)C(=O)C(=O)NC 1458a_100011218921_100009817345 [0,2,0,0,0,0|2,0,0]=4 409 B11R0.260 CCN(C(=O)CO)C(C)(C)CO 240690a_100000747347_100000210174 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [1,0,0,1,0,0|2,0,0]=4 411 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [1,0,0,1,0,0|1,0,1]=4 412 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [1,0,0,1,0,0|1,0,1]=4 413 B9R1.110 O=C(C(O)O)C1COC1 1458a_100000233687_100000687716 [1,0,0,1,0,0|0,0,2]=4 414 B9R1.186 CC1(COC1)C(=O)CF 1458a_100000094709_100015361967 [1,0,0,1,0,0|1,0,1]=4 415 B9R1.186 CCC(=O)C1(COC1)C 1458a_100000094709_100000210202 [1,0,0,1,0,0|1,0,1]=4 416 B9R1.186 CNC(=O)C1(COC1)C 11a_106832991635_100000094709 [1,0,0,1,0,0|2,0,0]=4 417 B9R1.186 CNC(=O)C1(COC1)C 1626a_100102657272_100000094709 [1,0,0,1,0,0|2,0,0]=4 418 B9R1.186 CNC(=O)C1(COC1)C 527a_100102657272_100000094709 [1,0,0,1,0,0|2,0,0]=4 419 B9R1.190 CCC(=O)C1(CC1)CO 1458a_100012027107_100000210202 [1,0,0,1,0,0|1,0,1]=4 420 B9R1.190 CNC(=O)C1(CC1)CO 1626a_100102657272_100012027107 [1,0,0,1,0,0|2,0,0]=4 421 B9R1.190 CNC(=O)C1(CC1)CO 240690a_100102657272_100012027107 [1,0,0,1,0,0|2,0,0]=4 422 B9R1.190 O=C(CF)C1(CC1)CO 1458a_100012027107_100015361967 [1,0,0,1,0,0|1,0,1]=4 423 B9R1.128 CC(=O)NC1(CC1)CO 240690a_100000692850_100015343762 [1,0,0,1,0,0|2,0,0]=4 424 B9R1.128 CC(=O)NC1(CC1)CO 527a_100000692850_100103153847 [1,0,0,1,0,0|2,0,0]=4 425 B9R1.171 CC(=O)CC1(COC1)C 1458a_100000070787_100000066812 [1,0,0,1,0,0|1,0,1]=4 426 B9R1.171 CC(=O)NC1(COC1)C 11a_100000732644_100015343762 [1,0,0,1,0,0|2,0,0]=4 427 B9R1.171 CC(=O)NC1(COC1)C 1626a_100000732644_100015343762 [1,0,0,1,0,0|2,0,0]=4 428 B9R1.171 CC(=O)NC1(COC1)C 527a_100000732644_100103153847 [1,0,0,1,0,0|2,0,0]=4 429 B11R1.405 C=C(C)CC(=O)C1(CC1)CO 1458a_100012027107_100000748629 [0,0,0,1,0,1|2,0,0]=4 430 B11R1.405 C=C(F)CC(=O)C1(CC1)CO 1458a_100012027107_100009893438 [0,0,0,1,0,1|2,0,0]=4 431 B11R1.405 CC(O)CC(=O)C1(CC1)CO 1458a_100012027107_100011218427 [0,0,0,1,0,1|1,0,1]=4 432 B11R1.405 NC(=O)CC(=O)C1(CC1)CO 1458a_100012027107_100000187820 [0,0,0,1,0,1|1,0,0]=3 433 B11R1.405 O=C(C[N+](=O)[O-])C1(CC1)CO 1458a_100012027107_100000761209 [0,0,0,1,0,1|1,0,1]=4 434 B11R1.405 O=C([O-])CC(=O)C1(CC1)CO 1458a_100012027107_100020667443 [0,0,0,1,0,1|0,0,1]=3 435 B11R1.631 CC(C)(CO)C(=O)CC1CO1 1458a_100000749806_100011216344 [0,0,0,1,0,1|1,0,1]=4 436 B11R1.631 CC(C)(CO)C(=O)C[C@@H]1CO1 1458a_100000749806_100000745022 [0,0,0,1,0,1|1,0,1]=4 437 B11R1.1264 C=C(C)CC(=O)C1(COC1)C 1458a_100000094709_100000748629 [0,0,0,1,0,1|2,0,0]=4 438 B11R1.1264 C=C(F)CC(=O)C1(COC1)C 1458a_100000094709_100009893438 [0,0,0,1,0,1|2,0,0]=4 439 B11R1.1264 CC(O)CC(=O)C1(COC1)C 1458a_100000094709_100011218427 [0,0,0,1,0,1|1,0,1]=4 440 B11R1.1264 CC1(CCC1)C(=O)CC(=O)N 1458a_100000684636_100000187820 [0,0,0,1,0,1|2,0,0]=4 441 B11R1.1264 CC1(CCC1)C(=O)CC(=O)[O-] 1458a_100000684636_100020667443 [0,0,0,1,0,1|1,0,1]=4 442 B11R1.1264 CC1(COC1)C(=O)CC(=O)N 1458a_100000094709_100000187820 [0,0,0,1,0,1|1,0,0]=3 443 B11R1.1264 CC1(COC1)C(=O)CC(=O)[O-] 1458a_100000094709_100020667443 [0,0,0,1,0,1|0,0,1]=3 444 B11R1.1264 CC1(COC1)C(=O)C[N+](=O)[O-] 1458a_100000094709_100000761209 [0,0,0,1,0,1|1,0,1]=4 445 B11R1.1264 NC(=O)CC(=O)C1(COC1)O 1458a_100010273515_100000187820 [0,0,0,1,0,1|2,0,0]=4 446 B11R1.1264 O=C([O-])CC(=O)C1(COC1)O 1458a_100010273515_100020667443 [0,0,0,1,0,1|1,0,1]=4 447 B11R1.406 CCC1(CC1)NC(=O)C(=O)N 240690a_100000732774_100011215815 [0,0,0,1,0,1|2,0,0]=4 448 B11R1.406 C[C@@H](O)C(=O)NC1(CC1)CO 240690a_100000692850_100000717761 [0,0,0,1,0,1|1,0,1]=4 449 B11R1.406 C[C@H](O)C(=O)NC1(CC1)CO 240690a_100000692850_217856618621 [0,0,0,1,0,1|1,0,1]=4 450 B11R1.406 NC(=O)C(=O)NC1(CC1)CF 240690a_100000054953_100011215815 [0,0,0,1,0,1|2,0,0]=4 451 B11R1.406 NC(=O)C(=O)NC1(CC1)CO 240690a_100000692850_100011215815 [0,0,0,1,0,1|1,0,0]=3 452 B11R1.406 O=C(NC1(CC1)CO)C(O)O 240690a_100000692850_100000233687 [0,0,0,1,0,1|0,0,2]=4 453 B11R1.626 CC(C)(CO)NC(=O)C1CO1 240690a_100000210608_100000701028 [0,0,0,1,0,1|1,0,1]=4 454 B11R1.626 CC(C)(CO)NC(=O)C1CO1 527a_100020618417_100000701028 [0,0,0,1,0,1|1,0,1]=4 455 B11R1.1112 C=C(Br)C(=O)NC1(COC1)C 11a_100000732644_100009813364 [0,0,0,1,0,1|2,0,0]=4 456 B11R1.1112 C=C(Br)C(=O)NC1(COC1)C 1626a_100000732644_100009813364 [0,0,0,1,0,1|2,0,0]=4 457 B11R1.1112 C=C(C)C(=O)CC1(COC1)C 1458a_100000185857_100000066812 [0,0,0,1,0,1|2,0,0]=4 458 B11R1.1112 C=C(C)C(=O)NC1(COC1)C 11a_100000732644_100000185857 [0,0,0,1,0,1|2,0,0]=4 459 B11R1.1112 C=C(C)C(=O)NC1(COC1)C 1626a_100000732644_100000185857 [0,0,0,1,0,1|2,0,0]=4 460 B11R1.1112 C=C(Cl)C(=O)NC1(COC1)C 11a_100000732644_100000039160 [0,0,0,1,0,1|2,0,0]=4 461 B11R1.1112 C=C(Cl)C(=O)NC1(COC1)C 1626a_100000732644_100000039160 [0,0,0,1,0,1|2,0,0]=4 462 B11R1.1112 C=C(F)C(=O)NC1(COC1)C 11a_100000732644_100000036797 [0,0,0,1,0,1|2,0,0]=4 463 B11R1.1112 C=C(F)C(=O)NC1(COC1)C 1626a_100000732644_100000036797 [0,0,0,1,0,1|2,0,0]=4 464 B11R1.1112 CC1(CCC1)NC(=O)C(=O)N 240690a_100000692455_100011215815 [0,0,0,1,0,1|2,0,0]=4 465 B11R1.1112 CC1(COC1)CC(=O)C(O)O 1458a_100000233687_100000066812 [0,0,0,1,0,1|0,0,2]=4 466 B11R1.1112 C[C@@H](O)C(=O)CC1(COC1)C 1458a_100000717761_100000066812 [0,0,0,1,0,1|1,0,1]=4 467 B11R1.1112 C[C@H](O)C(=O)CC1(COC1)C 1458a_217856618621_100000066812 [0,0,0,1,0,1|1,0,1]=4 468 B11R1.1112 C[C@H](O)C(=O)NC1(COC1)C 1626a_100000732644_217856618621 [0,0,0,1,0,1|1,0,1]=4 469 B11R1.227 CC1(COCN1C(=O)CO)C 240690a_100000043020_100000210174 [0,1,0,1,0,0|2,0,0]=4 470 B11R1.629 CC(C)(CO)C(=O)C1COC1 1458a_100000749806_100000687716 [0,1,0,1,0,0|1,0,1]=4 471 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [1,0,0,0,0,1|2,0,0]=4 472 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [1,0,0,0,0,1|2,0,0]=4 473 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [1,0,0,0,0,1|1,0,1]=4 474 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [1,0,0,0,0,1|2,0,0]=4 475 B9R0.23 NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000187820 [1,0,0,0,0,1|2,0,0]=4 476 B9R0.23 O=C([O-])CC(=O)C(O)CO 1458a_100011215603_100020667443 [1,0,0,0,0,1|1,0,1]=4 477 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [1,0,0,0,0,1|2,0,0]=4 478 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [1,0,0,0,0,1|2,0,0]=4 479 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [1,0,0,0,0,1|2,0,0]=4 480 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [1,0,0,0,0,1|2,0,0]=4 481 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [1,0,0,0,0,1|0,0,2]=4 482 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [1,0,0,0,0,1|1,0,1]=4 483 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [1,0,0,0,0,1|1,0,1]=4 484 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [1,0,0,0,0,1|2,0,0]=4 485 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [1,0,0,0,0,1|1,0,0]=3 486 B9R0.42 C[C@H](CO)NC(=O)C(O)O 240690a_100000737577_100000233687 [1,0,0,0,0,1|0,0,2]=4 487 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [1,0,0,0,0,1|1,0,1]=4 488 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [1,0,0,0,0,1|1,0,1]=4 489 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [1,0,0,0,0,1|1,0,1]=4 490 B9R0.10 C=C(C)CC(=O)C(C)(C)C 1458a_106744555173_100000748629 [1,0,0,0,0,1|2,0,0]=4 491 B9R0.10 C=C(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748629 [1,0,0,0,0,1|2,0,0]=4 492 B9R0.10 C=C(F)CC(=O)C(C)(C)C 1458a_106744555173_100009893438 [1,0,0,0,0,1|2,0,0]=4 493 B9R0.10 C=C(F)CC(=O)C(C)(C)O 1458a_100000242741_100009893438 [1,0,0,0,0,1|2,0,0]=4 494 B9R0.10 CC(=CC(=O)[13CH3])C(C)(C)C 1458a_100020591210_200025704644 [1,0,0,0,0,1|2,0,0]=4 495 B9R0.10 CC(=O)C=C(C)C(C)(C)C 1458a_100020591210_200000210301 [1,0,0,0,0,1|2,0,0]=4 496 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1458a_100000070787_100000210923 [1,0,0,0,0,1|1,0,0]=3 497 B9R0.10 CC(C)(C)C(=O)CC(=O)N 1458a_106744555173_100000187820 [1,0,0,0,0,1|1,0,0]=3 498 B9R0.10 CC(C)(C)C(=O)CC(=O)[O-] 1458a_106744555173_100020667443 [1,0,0,0,0,1|0,0,1]=3 499 B9R0.10 CC(C)(C)C(=O)C[N+](=O)[O-] 1458a_106744555173_100000761209 [1,0,0,0,0,1|1,0,1]=4 500 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [1,0,0,0,0,1|2,0,0]=4 501 B9R0.10 CC(C)(F)C(=O)CC(=O)N 1458a_100000765255_100000187820 [1,0,0,0,0,1|2,0,0]=4 502 B9R0.10 CC(C)(F)C(=O)CC(=O)[O-] 1458a_100000765255_100020667443 [1,0,0,0,0,1|1,0,1]=4 503 B9R0.10 CC(C)(O)C(=O)CC(=O)N 1458a_100000242741_100000187820 [1,0,0,0,0,1|1,0,0]=3 504 B9R0.10 CC(C)(O)C(=O)CC(=O)[O-] 1458a_100000242741_100020667443 [1,0,0,0,0,1|0,0,1]=3 505 B9R0.10 CC(C)(O)C(=O)C[N+](=O)[O-] 1458a_100000242741_100000761209 [1,0,0,0,0,1|1,0,1]=4 506 B9R0.10 CC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218427 [1,0,0,0,0,1|1,0,1]=4 507 B9R0.10 CC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218427 [1,0,0,0,0,1|1,0,1]=4 508 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [1,0,0,0,0,1|2,0,0]=4 509 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [1,0,0,0,0,1|2,0,0]=4 510 B9R0.57 C=C(Br)C(=O)NC(C)(C)C 11a_100000715429_100009813364 [1,0,0,0,0,1|2,0,0]=4 511 B9R0.57 C=C(Br)C(=O)NC(C)(C)C 1626a_100000715429_100009813364 [1,0,0,0,0,1|2,0,0]=4 512 B9R0.57 C=C(C)C(=O)NC(C)(C)C 11a_100000715429_100000185857 [1,0,0,0,0,1|2,0,0]=4 513 B9R0.57 C=C(C)C(=O)NC(C)(C)C 1626a_100000715429_100000185857 [1,0,0,0,0,1|2,0,0]=4 514 B9R0.57 C=C(Cl)C(=O)NC(C)(C)C 11a_100000715429_100000039160 [1,0,0,0,0,1|2,0,0]=4 515 B9R0.57 C=C(Cl)C(=O)NC(C)(C)C 1626a_100000715429_100000039160 [1,0,0,0,0,1|2,0,0]=4 516 B9R0.57 C=C(F)C(=O)NC(C)(C)C 11a_100000715429_100000036797 [1,0,0,0,0,1|2,0,0]=4 517 B9R0.57 C=C(F)C(=O)NC(C)(C)C 1626a_100000715429_100000036797 [1,0,0,0,0,1|2,0,0]=4 518 B9R0.57 CC(=O)C(=O)NC(C)(C)C 1458a_100000238687_200000210301 [1,0,0,0,0,1|1,0,0]=3 519 B9R0.57 CC(C)(C)NC(=O)C(=O)N 240690a_100000715429_100011215815 [1,0,0,0,0,1|1,0,0]=3 520 B9R0.57 CC(C)(C)NC(=O)C(=O)[13CH3] 1458a_100000238687_200025704644 [1,0,0,0,0,1|1,0,0]=3 521 B9R0.57 CC(C)(C)NC(=O)C(O)O 240690a_100000715429_100000233687 [1,0,0,0,0,1|0,0,2]=4 522 B9R0.57 C[C@@H](O)C(=O)NC(C)(C)C 240690a_100000715429_100000717761 [1,0,0,0,0,1|1,0,1]=4 523 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [1,0,0,0,0,1|1,0,1]=4 524 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 1626a_100000715429_217856618621 [1,0,0,0,0,1|1,0,1]=4 525 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 240690a_100000715429_217856618621 [1,0,0,0,0,1|1,0,1]=4 526 B9R0.64 CC(=O)NCC(C)(C)CO 240690a_100020635058_100015343762 [1,0,0,0,0,1|1,0,1]=4 527 B9R0.64 CC(=O)NCC(C)(C)CO 527a_100020635058_100103153847 [1,0,0,0,0,1|1,0,1]=4 528 B9R0.64 CC(C)(CO)NCC(=O)N 2230a_100000210608_100000747473 [1,0,0,0,0,1|1,0,1]=4 529 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [1,0,0,0,0,1|1,0,1]=4 530 B11R0.129 C=C(C)CCC(=O)C(C)(C)CO 1458a_100000749806_100000730704 [0,0,0,0,0,2|2,0,0]=4 531 B11R0.129 C=C(C)CNC(=O)C(C)(C)CO 1626a_100000765925_100000749806 [0,0,0,0,0,2|2,0,0]=4 532 B11R0.129 C=C(C)CNC(=O)C(C)(C)CO 240690a_100000765925_100000749806 [0,0,0,0,0,2|2,0,0]=4 533 B11R0.129 C=C(C)CNC(=O)C(C)(C)CO 527a_100000765925_100000749806 [0,0,0,0,0,2|2,0,0]=4 534 B11R0.129 CC(=CCC(=O)C(C)(C)CO)C 1458a_100000749806_100000761012 [0,0,0,0,0,2|2,0,0]=4 535 B11R0.129 CC(=O)NNC(=O)C(C)(C)CF 22a_100000189765_100000138116 [0,0,0,0,0,2|2,0,0]=4 536 B11R0.129 CC(=O)NNC(=O)C(C)(C)CO 22a_100000189765_100000749806 [0,0,0,0,0,2|1,0,0]=3 537 B11R0.129 CC(C)(CF)C(=O)NCC(=O)N 11a_100000711301_100000138116 [0,0,0,0,0,2|2,0,0]=4 538 B11R0.129 CC(C)(CF)C(=O)NCC(=O)N 240690a_100000711301_100000138116 [0,0,0,0,0,2|2,0,0]=4 539 B11R0.129 CC(C)(CF)C(=O)NCC(=O)N 527a_100000711301_100000138116 [0,0,0,0,0,2|2,0,0]=4 540 B11R0.129 CC(C)(CO)C(=O)NCC(=O)N 240690a_100000711301_100000749806 [0,0,0,0,0,2|1,0,0]=3 541 B11R0.129 CC(C)(CO)C(=O)NCC(=O)N 527a_100000711301_100000749806 [0,0,0,0,0,2|1,0,0]=3 542 B11R0.129 CC(O)CCC(=O)C(C)(C)CO 1458a_100000749806_100012276601 [0,0,0,0,0,2|1,0,1]=4 543 B11R0.129 CC(O)CNC(=O)C(C)(C)CO 240690a_100000210904_100000749806 [0,0,0,0,0,2|1,0,1]=4 544 B11R0.129 CC(O)CNC(=O)C(C)(C)CO 527a_100000210904_100000749806 [0,0,0,0,0,2|1,0,1]=4 545 B11R0.129 CCC(C)(C)C(=O)NCC(=O)N 11a_100000711301_100000749717 [0,0,0,0,0,2|2,0,0]=4 546 B11R0.129 CCC(C)(C)C(=O)NCC(=O)N 240690a_100000711301_100000749717 [0,0,0,0,0,2|2,0,0]=4 547 B11R0.129 CCC(C)(C)C(=O)NCC(=O)N 527a_100000711301_100000749717 [0,0,0,0,0,2|2,0,0]=4 548 B11R0.129 CCC(C)(C)C(=O)NNC(=O)C 22a_100000189765_100000749717 [0,0,0,0,0,2|2,0,0]=4 549 B11R0.300 CC(=CC(=O)NC(C)(C)CO)C 240690a_100000210608_100000211388 [0,0,0,0,0,2|2,0,0]=4 550 B11R0.300 CC(=CC(=O)NC(C)(C)CO)Cl 240690a_100000210608_200042562850 [0,0,0,0,0,2|2,0,0]=4 551 B11R0.300 CC(C)(CO)NC(=O)C=C(Cl)Cl 240690a_100000210608_100000137448 [0,0,0,0,0,2|2,0,0]=4 552 B11R0.300 CC(C)(CO)NC(=O)CC(=O)N 240690a_100000210608_100134613110 [0,0,0,0,0,2|1,0,0]=3 553 B11R0.300 CC(C)(CO)NC(=O)CC(=O)N 527a_100020618417_100134613110 [0,0,0,0,0,2|1,0,0]=3 554 B11R0.300 CCC(C)(C)CC(=O)CC(=O)N 1458a_200000763500_100000187820 [0,0,0,0,0,2|2,0,0]=4 555 B11R0.300 CCC(C)(C)CC(=O)CC(=O)[O-] 1458a_200000763500_100020667443 [0,0,0,0,0,2|1,0,1]=4 556 B11R0.300 CCC(C)(C)NC(=O)CC(=O)C 1458a_100000070787_100000230344 [0,0,0,0,0,2|2,0,0]=4 557 B11R0.300 CCC(C)(C)NC(=O)CC(=O)N 240690a_100000211385_100134613110 [0,0,0,0,0,2|2,0,0]=4 558 B11R0.300 CCC(C)(C)NC(=O)CC(=O)N 527a_100000211385_100134613110 [0,0,0,0,0,2|2,0,0]=4 559 B11R0.300 CN(CC(=O)O)CC(C)(C)CO 269956a_100000746989_100009813988 [0,0,0,0,0,2|2,0,0]=4 560 B11R0.300 C[C@@H](O)CC(=O)NC(C)(C)CO 240690a_100000210608_100011933948 [0,0,0,0,0,2|1,0,1]=4 561 B11R0.302 CC(C)(CO)CNC(=O)C(=O)N 240690a_100020635058_100011215815 [0,0,0,0,0,2|1,0,0]=3 562 B11R0.302 CC(C)(CO)CNC(=O)C(O)O 240690a_100020635058_100000233687 [0,0,0,0,0,2|0,0,2]=4 563 B11R0.302 CCC(C)(C)SCC(=O)C(=O)C 62a_100000032637_100011261029 [0,0,0,0,0,2|2,0,0]=4 564 B11R0.302 CCC(C)(C)SCC(=O)C(=O)C 62a_100011261029_100000032637 [0,0,0,0,0,2|2,0,0]=4 565 B11R0.302 C[C@@H](O)C(=O)NCC(C)(C)CO 240690a_100020635058_100000717761 [0,0,0,0,0,2|1,0,1]=4 566 B11R0.302 C[C@H](NCC(C)(C)CO)C(=O)O 269956a_100000743915_100009813988 [0,0,0,0,0,2|1,0,1]=4 567 B11R0.302 C[C@H](O)C(=O)NCC(C)(C)CO 240690a_100020635058_217856618621 [0,0,0,0,0,2|1,0,1]=4