0 B10R0.96 C=C(C)CC(=O)C=CC(C)C 1458a_100016268746_100000748629 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.96 C=C(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748629 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.96 C=C(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748629 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.96 C=C(C)CC(=O)COC(C)C 1458a_100000745533_100000748629 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.96 C=C(C)CCC(=O)CC(=C)C 1458a_200000688413_100000748629 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_100134613110_100000730704 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_200000688413_100000187820 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.96 C=C(C)CCC(=O)CC(=O)[O-] 1458a_200000688413_100020667443 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000225649_100000210312 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000742789_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000225649_100000210312 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000742789_100000748629 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.96 C=C(C)CNC(=O)CC(=O)N 240690a_100000765925_100134613110 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.96 C=C(C)CNC(=O)CC(=O)N 527a_100000765925_100134613110 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.96 C=C(F)CC(=O)C=CC(C)C 1458a_100016268746_100009893438 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.96 C=C(F)CC(=O)CCC(C)C 1458a_100000181311_100009893438 [0,0,0,0,0,0|2,0,1]=3 18 B10R0.96 C=C(F)CC(=O)CC[S+](C)C 1458a_100009452791_100009893438 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.96 C=C(F)CC(=O)COC(C)C 1458a_100000745533_100009893438 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.96 C=C(F)CC(=O)CSC(C)C 1458a_100000241585_100009893438 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,0,0,0,0,0|2,0,1]=3 22 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,0,0,0,0,0|2,0,1]=3 23 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,0,0,0,0,0|2,0,1]=3 24 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.96 CC(=CC(=O)CCC(C)O)Cl 1458a_200042562850_100012276601 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.96 CC(=CC(=O)CCC(C)O)I 1458a_100025716642_100012276601 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,0,0,0,0,0|2,0,1]=3 28 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,0,0,0,0,0|2,0,1]=3 29 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,0,0,0,0,0|2,0,1]=3 30 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 11a_100000210953_200042562850 [0,0,0,0,0,0|2,0,1]=3 31 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 1626a_100000210953_200042562850 [0,0,0,0,0,0|2,0,1]=3 32 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 240690a_100000210953_200042562850 [0,0,0,0,0,0|2,0,1]=3 33 B10R0.96 CC(=CC(=O)NCC(C)C)I 11a_100000210953_100025716642 [0,0,0,0,0,0|2,0,1]=3 34 B10R0.96 CC(=CC(=O)NCC(C)C)I 1626a_100000210953_100025716642 [0,0,0,0,0,0|2,0,1]=3 35 B10R0.96 CC(=CC(=O)NCC(C)O)C 11a_100000210904_100000211388 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.96 CC(=CC(=O)NCC(C)O)C 240690a_100000210904_100000211388 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 11a_100000210904_200042562850 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 240690a_100000210904_200042562850 [0,0,0,0,0,0|3,0,1]=4 39 B10R0.96 CC(=CC(=O)NCC(C)O)I 11a_100000210904_100025716642 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.96 CC(=CC(=O)NNC(C)C)C 22a_100000741168_100000211388 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.96 CC(=CC(=O)NNC(C)C)Cl 22a_100000741168_200042562850 [0,0,0,0,0,0|3,0,1]=4 42 B10R0.96 CC(=CC(C)OCC(C)C)C 34a_100000717055_100000210624 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100011220947_100000187820 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100134613110_100000761012 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.96 CC(=CCC(=O)CC(=O)[O-])C 1458a_100011220947_100020667443 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,0,0,0,0,0|1,0,0]=1 47 B10R0.96 CC(=O)CC(=O)NNC(=O)C 1458a_100000070787_100000181415 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,0,0,0,0,0|3,0,0]=3 49 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,0,0,0,0,0|2,1,1]=4 54 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,0,0,0,0,0|2,1,1]=4 55 B10R0.96 CC(C)C=CC(=O)CC(=O)N 1458a_100016268746_100000187820 [0,0,0,0,0,0|2,0,1]=3 56 B10R0.96 CC(C)C=CC(=O)CC(=O)[O-] 1458a_100016268746_100020667443 [0,0,0,0,0,0|2,0,1]=3 57 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.96 CC(C)C=CC(=O)CC(C)O 1458a_100016268746_100011218427 [0,0,0,0,0,0|1,0,3]=4 59 B10R0.96 CC(C)C=CC(=O)C[N+](=O)[O-] 1458a_100016268746_100000761209 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,0,0,0,0,0|3,0,1]=4 62 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,0,0,0,0,0|3,0,1]=4 63 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,0,0,0,0,0|3,0,1]=4 66 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.96 CC(C)CC(=O)NNC(C)C 22a_100000741168_100000210554 [0,0,0,0,0,0|3,0,1]=4 68 B10R0.96 CC(C)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210312 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,0,0,0,0,0|2,0,0]=2 70 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,0,0,0,0,0|2,0,0]=2 71 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,0,0,0,0,0|2,0,0]=2 72 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,0,0,0,0,0|2,0,1]=3 73 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,0,0,0,0,0|2,0,1]=3 74 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,0,0,0,0,0|1,0,2]=3 75 B10R0.96 CC(C)CCC(=O)CC(F)F 1458a_100000181311_100011934356 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,0,0,0,0,0|3,0,0]=3 77 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,0,0,0,0,0|1,0,2]=3 78 B10R0.96 CC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000181311_100000761209 [0,0,0,0,0,0|3,0,0]=3 79 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,0,0,0,0,0|3,0,0]=3 80 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,0,0,0,0,0|3,0,1]=4 81 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,0,0,0,0,0|3,0,1]=4 82 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,0,0,0,0,0|4,0,0]=4 85 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,0,0,0,0,0|4,0,0]=4 86 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,0,0,0,0,0|4,0,0]=4 87 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,0,0|4,0,0]=4 88 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,0,0,0,0,0|4,0,0]=4 89 B10R0.96 CC(C)CNC(=O)C=C(Cl)Cl 1626a_100000210953_100000137448 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.96 CC(C)CNC(=O)C=C(Cl)Cl 240690a_100000210953_100000137448 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.96 CC(C)CNC(=O)CC(=O)N 240690a_100000210953_100134613110 [0,0,0,0,0,0|2,0,0]=2 92 B10R0.96 CC(C)CNC(=O)CC(=O)N 527a_100000210953_100134613110 [0,0,0,0,0,0|2,0,0]=2 93 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,0,0,0,0,0|2,0,1]=3 94 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,0,0,0,0,0|2,0,1]=3 95 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,0,0,0,0,0|2,0,1]=3 96 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,0,0,0,0,0|2,0,1]=3 97 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [0,0,0,0,0,0|3,0,0]=3 98 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [0,0,0,0,0,0|3,0,0]=3 99 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [0,0,0,0,0,0|3,0,0]=3 100 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [0,0,0,0,0,0|3,0,0]=3 101 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [0,0,0,0,0,0|3,0,0]=3 102 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,0,0,0,0,0|1,0,2]=3 103 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [0,0,0,0,0,0|3,0,0]=3 104 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [0,0,0,0,0,0|3,0,0]=3 105 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [0,0,0,0,0,0|3,0,0]=3 106 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [0,0,0,0,0,0|3,0,0]=3 107 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,0,0,0,0,0|3,0,1]=4 109 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,0,0,0,0,0|3,0,1]=4 110 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,0,0,0,0,0|3,0,1]=4 111 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,0,0,0,0,0|3,0,1]=4 112 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000210257_100000731052 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000211805_100000210624 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.96 CC(C)COC(C)CC(C)C 7a_100000211805_100000210760 [0,0,0,0,0,0|2,0,2]=4 115 B10R0.96 CC(C)NCC(=O)NC(=O)N 2230a_100138425928_100000182717 [0,0,0,0,0,0|4,0,0]=4 116 B10R0.96 CC(C)NNC(=O)CC(=O)N 22a_100000741168_100134613110 [0,0,0,0,0,0|3,0,0]=3 117 B10R0.96 CC(C)NNC(=O)CN(C)C 22a_100000741168_100000750896 [0,0,0,0,0,0|4,0,0]=4 118 B10R0.96 CC(C)NNC(=O)C[C@@H](C)O 22a_100000741168_100011933948 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.96 CC(C)NNC(=O)C[S+](C)C 22a_100000741168_200159257847 [0,0,0,0,0,0|4,0,0]=4 120 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,0,0,0,0,0|3,0,1]=4 121 B10R0.96 CC(C)OCC(=O)CC(=O)N 1458a_100000745533_100000187820 [0,0,0,0,0,0|3,0,0]=3 122 B10R0.96 CC(C)OCC(=O)CC(=O)[O-] 1458a_100000745533_100020667443 [0,0,0,0,0,0|3,0,0]=3 123 B10R0.96 CC(C)OCC(=O)C[N+](=O)[O-] 1458a_100000745533_100000761209 [0,0,0,0,0,0|4,0,0]=4 124 B10R0.96 CC(C)SCC(=O)CC(=O)N 1458a_100000241585_100000187820 [0,0,0,0,0,0|3,0,0]=3 125 B10R0.96 CC(C)SCC(=O)CC(=O)[O-] 1458a_100000241585_100020667443 [0,0,0,0,0,0|3,0,0]=3 126 B10R0.96 CC(C)SCC(=O)C[N+](=O)[O-] 1458a_100000241585_100000761209 [0,0,0,0,0,0|4,0,0]=4 127 B10R0.96 CC(C)SCC(=O)NC(=O)N 62a_100000210206_100000182717 [0,0,0,0,0,0|4,0,0]=4 128 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,0,0,0,0,0|3,0,0]=3 132 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,0,0,0,0,0|4,0,0]=4 133 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,0,0,0,0,0|2,0,2]=4 134 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,0,0,0,0,0|4,0,0]=4 135 B10R0.96 CC(O)CNC(=O)CC(=O)N 240690a_100000210904_100134613110 [0,0,0,0,0,0|3,0,0]=3 136 B10R0.96 CC(O)CNC(=O)CC(=O)N 527a_100000210904_100134613110 [0,0,0,0,0,0|3,0,0]=3 137 B10R0.96 CC(O)CNC(=O)CN(C)C 11a_100000210904_100000750896 [0,0,0,0,0,0|4,0,0]=4 138 B10R0.96 CC(O)CNC(=O)CN(C)C 240690a_100000210904_100000750896 [0,0,0,0,0,0|4,0,0]=4 139 B10R0.96 CC(O)CNC(=O)CN(C)C 527a_100000210904_100000750896 [0,0,0,0,0,0|4,0,0]=4 140 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,0,0,0,0,0|2,0,2]=4 141 B10R0.96 CC(O)CNC(=O)C[S+](C)C 11a_100000210904_200159257847 [0,0,0,0,0,0|4,0,0]=4 142 B10R0.96 CC(O)CNC(=O)C[S+](C)C 240690a_100000210904_200159257847 [0,0,0,0,0,0|4,0,0]=4 143 B10R0.96 CC(O)CNC(=O)C[S+](C)C 527a_100000210904_200159257847 [0,0,0,0,0,0|4,0,0]=4 144 B10R0.96 CN(C)CCC(=O)NC(=O)N 2230a_100102631434_100000237605 [0,0,0,0,0,0|4,0,0]=4 145 B10R0.96 CN(C)CCC(=O)NC(=O)N 269982a_100102631434_100000237605 [0,0,0,0,0,0|4,0,0]=4 146 B10R0.96 C[S+](C)CCC(=O)CC(=O)N 1458a_100009452791_100000187820 [0,0,0,0,0,0|3,0,0]=3 147 B10R0.96 C[S+](C)CCC(=O)CC(=O)[O-] 1458a_100009452791_100020667443 [0,0,0,0,0,0|3,0,0]=3 148 B10R0.96 C[S+](C)CCC(=O)C[N+](=O)[O-] 1458a_100009452791_100000761209 [0,0,0,0,0,0|4,0,0]=4 149 B10R0.96 NC(=O)CC(=O)NCC(F)F 240690a_100000765723_100134613110 [0,0,0,0,0,0|4,0,0]=4 150 B10R0.96 NC(=O)CC(=O)NCC(F)F 527a_100000765723_100134613110 [0,0,0,0,0,0|4,0,0]=4 151 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [1,0,0,0,0,0|2,0,1]=4 153 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,0,0,0,0,0|2,0,0]=3 154 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [1,0,0,0,0,0|3,0,0]=4 155 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [1,0,0,0,0,0|3,0,0]=4 156 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [1,0,0,0,0,0|3,0,0]=4 157 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [1,0,0,0,0,0|3,0,0]=4 158 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [1,0,0,0,0,0|2,0,0]=3 159 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [1,0,0,0,0,0|2,0,1]=4 160 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [1,0,0,0,0,0|1,0,2]=4 161 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [1,0,0,0,0,0|0,0,2]=3 162 B9R0.4 CC(=O)CC(=O)NCC#N 1458a_100000070787_100000736037 [1,0,0,0,0,0|2,0,1]=4 163 B9R0.4 CCC#CC(=O)CC(=O)N 1458a_100011827653_100000187820 [1,0,0,0,0,0|2,0,1]=4 164 B9R0.4 CCC#CC(=O)CC(=O)[O-] 1458a_100011827653_100020667443 [1,0,0,0,0,0|2,0,1]=4 165 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [1,0,0,0,0,0|2,0,1]=4 166 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [1,0,0,0,0,0|2,0,1]=4 167 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,0,0,0,0,0|2,0,1]=4 168 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,0,0,0,0,0|2,0,1]=4 169 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,0,0,0,0,0|2,0,1]=4 170 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [1,0,0,0,0,0|2,0,0]=3 171 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [1,0,0,0,0,0|2,0,0]=3 172 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [1,0,0,0,0,0|2,0,0]=3 173 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,0,0,0,0,0|2,0,1]=4 174 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,0,0,0,0,0|2,0,1]=4 175 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,0,0,0,0,0|1,0,2]=4 176 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,0,0,0,0,0|3,0,0]=4 177 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,0,0,0,0,0|1,0,2]=4 178 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [1,0,0,0,0,0|3,0,0]=4 179 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,0,0,0,0,0|3,0,0]=4 180 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [1,0,0,0,0,0|2,0,1]=4 181 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [1,0,0,0,0,0|2,0,1]=4 182 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [1,0,0,0,0,0|2,0,1]=4 183 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [1,0,0,0,0,0|2,0,1]=4 184 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [1,0,0,0,0,0|2,0,1]=4 185 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [1,0,0,0,0,0|2,0,1]=4 186 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [1,0,0,0,0,0|2,0,1]=4 187 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [1,0,0,0,0,0|2,0,1]=4 188 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [1,0,0,0,0,0|1,0,0]=2 189 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [1,0,0,0,0,0|2,0,0]=3 190 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [1,0,0,0,0,0|2,0,0]=3 191 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,0,0,0,0,0|2,0,1]=4 192 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,0,0,0,0,0|2,0,1]=4 193 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,0,0,0,0,0|2,0,1]=4 194 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,0,0,0,0,0|2,0,1]=4 195 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [1,0,0,0,0,0|3,0,0]=4 196 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [1,0,0,0,0,0|3,0,0]=4 197 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [1,0,0,0,0,0|3,0,0]=4 198 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [1,0,0,0,0,0|3,0,0]=4 199 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [1,0,0,0,0,0|3,0,0]=4 200 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [1,0,0,0,0,0|3,0,0]=4 201 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [1,0,0,0,0,0|3,0,0]=4 202 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [1,0,0,0,0,0|3,0,0]=4 203 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [1,0,0,0,0,0|3,0,0]=4 204 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,0,0,0,0,0|1,0,2]=4 205 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [1,0,0,0,0,0|3,0,0]=4 206 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [1,0,0,0,0,0|3,0,0]=4 207 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [1,0,0,0,0,0|3,0,0]=4 208 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [1,0,0,0,0,0|3,0,0]=4 209 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [1,0,0,0,0,0|0,0,0]=1 210 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [1,0,0,0,0,0|2,0,0]=3 211 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [1,0,0,0,0,0|2,0,0]=3 212 B9R0.4 CCNNC(=O)CC(=O)N 22a_100000756455_100134613110 [1,0,0,0,0,0|3,0,0]=4 213 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [1,0,0,0,0,0|3,0,0]=4 214 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [1,0,0,0,0,0|3,0,0]=4 215 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [1,0,0,0,0,0|3,0,0]=4 216 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [1,0,0,0,0,0|3,0,0]=4 217 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [1,0,0,0,0,0|3,0,0]=4 218 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [1,0,0,0,0,0|3,0,0]=4 219 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [1,0,0,0,0,0|3,0,0]=4 220 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [1,0,0,0,0,0|3,0,0]=4 221 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [1,0,0,0,0,0|3,0,0]=4 222 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [1,0,0,0,0,0|3,0,0]=4 223 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [1,0,0,0,0,0|3,0,0]=4 224 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [1,0,0,0,0,0|3,0,0]=4 225 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [1,0,0,0,0,0|3,0,0]=4 226 B9R0.4 NC(=O)CC(=O)NCCF 240690a_100000724931_100134613110 [1,0,0,0,0,0|3,0,0]=4 227 B9R0.4 NC(=O)CC(=O)NCCF 527a_100000724931_100134613110 [1,0,0,0,0,0|3,0,0]=4 228 B9R0.4 NC(=O)CC(=O)NCCO 240690a_100000210304_100134613110 [1,0,0,0,0,0|3,0,0]=4 229 B9R0.4 NC(=O)CC(=O)NCCO 527a_100000210304_100134613110 [1,0,0,0,0,0|3,0,0]=4 230 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [1,0,0,0,0,0|1,0,2]=4 231 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [1,0,0,0,0,0|1,0,2]=4 232 B9R0.48 C#CCC(=O)NCC(C)C 1626a_100000210953_100011220946 [1,0,0,0,0,0|1,0,2]=4 233 B9R0.48 C#CCC(=O)NCC(C)C 527a_100000210953_100011220946 [1,0,0,0,0,0|1,0,2]=4 234 B9R0.48 C/C=C/C(C)OCC(C)C 34a_200102604097_100000210624 [1,0,0,0,0,0|1,0,2]=4 235 B9R0.48 C=CCC(=O)C=CC(C)C 1458a_100016268746_100000210623 [1,0,0,0,0,0|1,0,2]=4 236 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [1,0,0,0,0,0|1,0,1]=3 237 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [1,0,0,0,0,0|1,0,1]=3 238 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [1,0,0,0,0,0|2,0,1]=4 239 B9R0.48 C=CCC(=O)CC[S+](C)C 1458a_100009452791_100000210623 [1,0,0,0,0,0|2,0,1]=4 240 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [1,0,0,0,0,0|1,0,1]=3 243 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [1,0,0,0,0,0|1,0,1]=3 244 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [1,0,0,0,0,0|1,0,1]=3 245 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [1,0,0,0,0,0|1,0,1]=3 246 B9R0.48 C=CCC(=O)NCC(C)O 11a_100000210904_100000210193 [1,0,0,0,0,0|2,0,1]=4 247 B9R0.48 C=CCC(=O)NCC(C)O 240690a_100000210904_100000210193 [1,0,0,0,0,0|2,0,1]=4 248 B9R0.48 C=CCC(=O)NCC(C)O 527a_100000210904_100000210193 [1,0,0,0,0,0|2,0,1]=4 249 B9R0.48 C=CCC(=O)NNC(C)C 22a_100000741168_100000210193 [1,0,0,0,0,0|2,0,1]=4 250 B9R0.48 C=CC[C@@H](C)OCC(C)C 34a_100000731007_100000210624 [1,0,0,0,0,0|1,0,2]=4 251 B9R0.48 C=CC[C@@H](C)OCC(C)C 7a_100000731007_100000210760 [1,0,0,0,0,0|1,0,2]=4 252 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [1,0,0,0,0,0|1,0,2]=4 253 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [1,0,0,0,0,0|2,0,1]=4 254 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [1,0,0,0,0,0|2,0,1]=4 255 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [1,0,0,0,0,0|2,0,1]=4 256 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [1,0,0,0,0,0|2,0,1]=4 257 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [1,0,0,0,0,0|2,0,1]=4 258 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [1,0,0,0,0,0|2,0,1]=4 259 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [1,0,0,0,0,0|1,0,2]=4 260 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [1,0,0,0,0,0|1,0,2]=4 261 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [1,0,0,0,0,0|3,0,0]=4 262 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [1,0,0,0,0,0|3,0,0]=4 263 B9R0.48 CC(C)CNC(=O)C=CBr 1626a_100000210953_100016273825 [1,0,0,0,0,0|2,0,1]=4 264 B9R0.48 CC(C)CNC(=O)C=CBr 240690a_100000210953_100016273825 [1,0,0,0,0,0|2,0,1]=4 265 B9R0.48 CC(C)CNC(=O)C=CCl 11a_100000210953_200016279998 [1,0,0,0,0,0|2,0,1]=4 266 B9R0.48 CC(C)CNC(=O)C=CCl 1626a_100000210953_200016279998 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.48 CC(C)CNC(=O)C=CCl 240690a_100000210953_200016279998 [1,0,0,0,0,0|2,0,1]=4 268 B9R0.48 CC(C)CNC(=O)C=CI 1626a_100000210953_100016256311 [1,0,0,0,0,0|2,0,1]=4 269 B9R0.48 CC(C)CNC(=O)CC#N 1626a_100000210953_100051588842 [1,0,0,0,0,0|2,0,1]=4 270 B9R0.48 CC(C)CNC(=O)CC#N 240690a_100000210953_100051588842 [1,0,0,0,0,0|2,0,1]=4 271 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [1,0,0,0,0,0|1,0,2]=4 272 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [1,0,0,0,0,0|2,0,0]=3 273 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [1,0,0,0,0,0|2,0,0]=3 274 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [1,0,0,0,0,0|1,0,1]=3 275 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [1,0,0,0,0,0|2,0,1]=4 276 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [1,0,0,0,0,0|1,0,1]=3 277 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [1,0,0,0,0,0|1,0,1]=3 278 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [1,0,0,0,0,0|1,0,1]=3 279 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [1,0,0,0,0,0|2,0,1]=4 280 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [1,0,0,0,0,0|2,0,1]=4 281 B9R0.48 CC=CC(=O)NNC(C)C 22a_100000741168_100000210699 [1,0,0,0,0,0|2,0,1]=4 282 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [1,0,0,0,0,0|1,0,2]=4 283 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,0,0,0,0,0|1,0,1]=3 284 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,0,0,0,0,0|1,0,1]=3 285 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,0,0,0,0,0|2,0,1]=4 286 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [1,0,0,0,0,0|2,0,1]=4 287 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,0,0,0,0,0|2,0,1]=4 288 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,0,0,0,0,0|2,0,1]=4 289 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,0,0,0,0,0|2,0,1]=4 290 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,0,0,0,0,0|2,0,1]=4 292 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [1,0,0,0,0,0|1,0,1]=3 293 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [1,0,0,0,0,0|1,0,1]=3 294 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [1,0,0,0,0,0|1,0,1]=3 295 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [1,0,0,0,0,0|1,0,1]=3 296 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [1,0,0,0,0,0|2,0,1]=4 297 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [1,0,0,0,0,0|2,0,1]=4 298 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [1,0,0,0,0,0|2,0,1]=4 299 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [1,0,0,0,0,0|2,0,1]=4 300 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [1,0,0,0,0,0|1,0,2]=4 301 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [1,0,0,0,0,0|1,0,1]=3 302 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [1,0,0,0,0,0|1,0,1]=3 303 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [1,0,0,0,0,0|1,0,2]=4 304 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [1,0,0,0,0,0|1,0,2]=4 305 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [1,0,0,0,0,0|1,0,2]=4 306 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,0,0,0,0,0|2,0,1]=4 307 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,0,0,0,0,0|2,0,1]=4 308 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,0,0,0,0,0|2,0,1]=4 309 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [1,0,0,0,0,0|2,0,1]=4 310 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [1,0,0,0,0,0|2,0,1]=4 311 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [1,0,0,0,0,0|2,0,1]=4 312 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [1,0,0,0,0,0|2,0,1]=4 313 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [1,0,0,0,0,0|2,0,1]=4 314 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [1,0,0,0,0,0|2,0,1]=4 315 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [1,0,0,0,0,0|2,0,0]=3 316 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [1,0,0,0,0,0|2,0,0]=3 317 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [1,0,0,0,0,0|2,0,0]=3 318 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [1,0,0,0,0,0|3,0,0]=4 319 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [1,0,0,0,0,0|3,0,0]=4 320 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [1,0,0,0,0,0|3,0,0]=4 321 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [1,0,0,0,0,0|3,0,0]=4 322 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [1,0,0,0,0,0|2,0,0]=3 323 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,0,0,0,0,0|3,0,0]=4 324 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [1,0,0,0,0,0|2,0,0]=3 325 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [1,0,0,0,0,0|2,0,0]=3 326 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [1,0,0,0,0,0|2,0,0]=3 327 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [1,0,0,0,0,0|2,0,0]=3 328 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [1,0,0,0,0,0|2,0,0]=3 329 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [1,0,0,0,0,0|3,0,0]=4 330 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [1,0,0,0,0,0|3,0,0]=4 331 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [1,0,0,0,0,0|3,0,0]=4 332 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [1,0,0,0,0,0|3,0,0]=4 333 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [1,0,0,0,0,0|2,0,1]=4 334 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [1,0,0,0,0,0|2,0,1]=4 335 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [1,0,0,0,0,0|2,0,0]=3 336 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,0,0,0,0,0|3,0,0]=4 337 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [1,0,0,0,0,0|2,0,0]=3 338 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [1,0,0,0,0,0|2,0,0]=3 339 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [1,0,0,0,0,0|2,0,0]=3 340 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [1,0,0,0,0,0|2,0,0]=3 341 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [1,0,0,0,0,0|2,0,0]=3 342 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [1,0,0,0,0,0|2,0,0]=3 343 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [1,0,0,0,0,0|3,0,0]=4 344 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [1,0,0,0,0,0|3,0,0]=4 345 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [1,0,0,0,0,0|3,0,0]=4 346 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [1,0,0,0,0,0|3,0,0]=4 347 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [1,0,0,0,0,0|1,0,2]=4 348 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [1,0,0,0,0,0|2,0,1]=4 349 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [1,0,0,0,0,0|2,0,1]=4 350 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [1,0,0,0,0,0|2,0,1]=4 351 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [1,0,0,0,0,0|1,0,1]=3 352 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [1,0,0,0,0,0|1,0,1]=3 353 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [1,0,0,0,0,0|2,0,1]=4 354 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [1,0,0,0,0,0|2,0,1]=4 355 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [1,0,0,0,0,0|2,0,1]=4 356 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [1,0,0,0,0,0|2,0,1]=4 357 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [1,0,0,0,0,0|2,0,1]=4 358 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [1,0,0,0,0,0|1,1,1]=4 359 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [1,0,0,0,0,0|1,1,1]=4 360 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [1,0,0,0,0,0|0,0,3]=4 361 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [1,0,0,0,0,0|0,0,3]=4 362 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [1,0,0,0,0,0|3,0,0]=4 363 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [1,0,0,0,0,0|3,0,0]=4 364 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [1,0,0,0,0,0|3,0,0]=4 365 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [1,0,0,0,0,0|3,0,0]=4 366 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [1,0,0,0,0,0|3,0,0]=4 367 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [1,0,0,0,0,0|1,0,2]=4 368 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [1,0,0,0,0,0|1,0,2]=4 369 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,0,0,0,0,0|1,0,1]=3 370 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,0,0,0,0,0|1,0,1]=3 371 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,0,0,0,0,0|2,0,1]=4 372 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,0,0,0,0,0|2,0,1]=4 373 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,0,0,0,0,0|2,0,1]=4 374 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,0,0,0,0,0|2,0,1]=4 375 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,0,0,0,0,0|2,0,1]=4 376 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,0,0,0,0,0|2,0,1]=4 377 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,0,0,0,0,0|2,0,1]=4 378 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,0,0,0,0,0|0,0,1]=2 379 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,0,0,0,0,0|0,0,1]=2 380 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,0,0,0,0,0|1,0,1]=3 381 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,0,0,0,0,0|1,0,1]=3 382 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [1,0,0,0,0,0|2,0,1]=4 383 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [1,0,0,0,0,0|2,0,1]=4 384 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [1,0,0,0,0,0|2,0,1]=4 385 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,0,0,0,0,0|1,0,1]=3 386 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,0,0,0,0,0|1,0,1]=3 387 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,0,0,0,0,0|0,1,1]=3 388 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,0,0,0,0,0|0,1,1]=3 389 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,0,0,0,0,0|1,1,1]=4 390 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,0,0,0,0,0|1,1,1]=4 391 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,0,0,0,0,0|1,1,1]=4 392 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,0,0,0,0,0|1,1,1]=4 393 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,0,0,0,0,0|2,0,0]=3 394 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,0,0,0,0,0|3,0,0]=4 395 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [1,0,0,0,0,0|3,0,0]=4 396 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,0,0,0,0,0|2,0,1]=4 397 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,0,0,0,0,0|2,0,1]=4 398 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,0,0,0,0,0|2,0,1]=4 399 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,0,0,0,0,0|2,0,1]=4 400 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [1,0,0,0,0,0|3,0,0]=4 401 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [1,0,0,0,0,0|2,0,1]=4 402 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [1,0,0,0,0,0|2,0,1]=4 403 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [1,0,0,0,0,0|1,0,1]=3 404 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [1,0,0,0,0,0|2,0,1]=4 405 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [1,0,0,0,0,0|2,0,1]=4 406 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [1,0,0,0,0,0|2,0,1]=4 407 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [1,0,0,0,0,0|1,1,1]=4 408 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [1,0,0,0,0,0|1,1,1]=4 409 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [1,0,0,0,0,0|2,0,1]=4 410 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,0,0,0,0,0|1,0,1]=3 411 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [1,0,0,0,0,0|3,0,0]=4 412 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,0,0,0,0,0|3,0,0]=4 413 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [1,0,0,0,0,0|3,0,0]=4 414 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [1,0,0,0,0,0|3,0,0]=4 415 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [1,0,0,0,0,0|3,0,0]=4 416 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [1,0,0,0,0,0|1,0,2]=4 417 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [1,0,0,0,0,0|1,0,2]=4 418 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [1,0,0,0,0,0|1,0,2]=4 419 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [1,0,0,0,0,0|3,0,0]=4 420 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [1,0,0,0,0,0|3,0,0]=4 421 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [1,0,0,0,0,0|3,0,0]=4 422 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [1,0,0,0,0,0|3,0,0]=4 423 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [1,0,0,0,0,0|2,0,1]=4 424 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [1,0,0,0,0,0|2,0,1]=4 425 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [1,0,0,0,0,0|3,0,0]=4 426 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [1,0,0,0,0,0|1,0,1]=3 427 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [1,0,0,0,0,0|1,0,1]=3 428 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [1,0,0,0,0,0|1,0,1]=3 429 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [1,0,0,0,0,0|1,0,2]=4 430 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [1,0,0,0,0,0|0,0,3]=4 431 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [1,0,0,0,0,0|1,0,2]=4 432 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [1,0,0,0,0,0|1,1,1]=4 433 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [1,0,0,0,0,0|1,1,1]=4 434 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [1,0,0,0,0,0|2,0,1]=4 435 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [1,0,0,0,0,0|2,0,1]=4 436 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [1,0,0,0,0,0|2,0,1]=4 437 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [1,0,0,0,0,0|2,0,1]=4 438 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [1,0,0,0,0,0|2,0,1]=4 439 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [1,0,0,0,0,0|2,0,1]=4 440 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [1,0,0,0,0,0|2,0,1]=4 441 B11R0.33 C=C(C)CC(=O)CC(C)N(C)C 1458a_100011311895_100000748629 [0,1,0,0,0,0|3,0,0]=4 442 B11R0.33 C=C(C)CC(=O)CN(C)C(C)C 1458a_100000743827_100000748629 [0,1,0,0,0,0|3,0,0]=4 443 B11R0.33 CC(=CC(=O)NC(C)C(C)C)C 11a_100000211541_100000211388 [0,1,0,0,0,0|2,0,1]=4 444 B11R0.33 CC(=CC(=O)NC(C)C(C)C)C 1626a_100000211541_100000211388 [0,1,0,0,0,0|2,0,1]=4 445 B11R0.33 CC(=CC(=O)NC(C)C(C)C)C 240690a_100000211541_100000211388 [0,1,0,0,0,0|2,0,1]=4 446 B11R0.33 CC(=CC(=O)NC(C)C(C)C)Cl 11a_100000211541_200042562850 [0,1,0,0,0,0|2,0,1]=4 447 B11R0.33 CC(=CC(=O)NC(C)C(C)C)Cl 1626a_100000211541_200042562850 [0,1,0,0,0,0|2,0,1]=4 448 B11R0.33 CC(=CC(=O)NC(C)C(C)C)Cl 240690a_100000211541_200042562850 [0,1,0,0,0,0|2,0,1]=4 449 B11R0.33 CC(=CC(=O)NC(C)C(C)C)I 11a_100000211541_100025716642 [0,1,0,0,0,0|2,0,1]=4 450 B11R0.33 CC(=CC(=O)NC(C)C(C)C)I 1626a_100000211541_100025716642 [0,1,0,0,0,0|2,0,1]=4 451 B11R0.33 CC(=O)NC(=O)CC(=O)C(C)C 1458a_100000210198_100000183797 [0,1,0,0,0,0|2,0,1]=4 452 B11R0.33 CC(=O)NC(=O)CN(C)C(C)C 269982a_200000211004_100000183797 [0,1,0,0,0,0|3,0,0]=4 453 B11R0.33 CC(C)C(=O)CC(=O)CC(=O)N 1458a_100134613110_100000753385 [0,1,0,0,0,0|2,0,1]=4 454 B11R0.33 CC(C)C(C)NC(=O)CC(=O)N 240690a_100000211541_100134613110 [0,1,0,0,0,0|2,0,0]=3 455 B11R0.33 CC(C)C(C)NC(=O)CC(=O)N 527a_100000211541_100134613110 [0,1,0,0,0,0|2,0,0]=3 456 B11R0.33 CC(C)C(C)NC(=O)CN(C)C 11a_100000211541_100000750896 [0,1,0,0,0,0|3,0,0]=4 457 B11R0.33 CC(C)C(C)NC(=O)CN(C)C 240690a_100000211541_100000750896 [0,1,0,0,0,0|3,0,0]=4 458 B11R0.33 CC(C)C(C)NC(=O)CN(C)C 527a_100000211541_100000750896 [0,1,0,0,0,0|3,0,0]=4 459 B11R0.33 CC(C)C(C)NC(=O)C[C@@H](C)O 240690a_100000211541_100011933948 [0,1,0,0,0,0|1,0,2]=4 460 B11R0.33 CC(C)C(C)NC(=O)C[S+](C)C 11a_100000211541_200159257847 [0,1,0,0,0,0|3,0,0]=4 461 B11R0.33 CC(C)C(C)NC(=O)C[S+](C)C 1626a_100000211541_200159257847 [0,1,0,0,0,0|3,0,0]=4 462 B11R0.33 CC(C)C(C)NC(=O)C[S+](C)C 240690a_100000211541_200159257847 [0,1,0,0,0,0|3,0,0]=4 463 B11R0.33 CC(C)C(C)NC(=O)C[S+](C)C 527a_100000211541_200159257847 [0,1,0,0,0,0|3,0,0]=4 464 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 11a_100000211541_100000210554 [0,1,0,0,0,0|2,0,1]=4 465 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 1626a_100000211541_100000210554 [0,1,0,0,0,0|2,0,1]=4 466 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 240690a_100000211541_100000210554 [0,1,0,0,0,0|2,0,1]=4 467 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 527a_100000211541_100000210554 [0,1,0,0,0,0|2,0,1]=4 468 B11R0.33 CC(C)N(C)CC(=O)CC(=O)N 1458a_100000743827_100000187820 [0,1,0,0,0,0|3,0,0]=4 469 B11R0.33 CC(C)N(C)CC(=O)CC(=O)[O-] 1458a_100000743827_100020667443 [0,1,0,0,0,0|3,0,0]=4 470 B11R0.33 CC(CC(=O)CC(=O)N)N(C)C 1458a_100011311895_100000187820 [0,1,0,0,0,0|3,0,0]=4 471 B11R0.33 CC(CC(=O)CC(=O)[O-])N(C)C 1458a_100011311895_100020667443 [0,1,0,0,0,0|3,0,0]=4 472 B11R0.34 CC(C)CCC(=O)CC(C)(C)C 1458a_100000211214_100000210312 [0,1,0,0,0,0|2,0,1]=4 473 B11R0.34 CC(C)CCC(=O)CC(C)(C)O 1458a_100000693243_100000210312 [0,1,0,0,0,0|1,0,2]=4 474 B11R0.34 CC(C)CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210312 [0,1,0,0,0,0|2,0,0]=3 475 B11R0.34 CC(C)CCC(=O)CS(=O)(=O)N 1458a_100000181311_100000741382 [0,1,0,0,0,0|3,0,0]=4 476 B11R0.34 CC(C)CCC(=O)CS(=O)(=O)[O-] 1458a_100000181311_100009817235 [0,1,0,0,0,0|3,0,0]=4 477 B11R0.34 CC(C)CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210312 [0,1,0,0,0,0|3,0,0]=4 478 B11R0.34 CC(C)CCC(=O)C[Si](C)(C)C 1458a_100000181311_100000233785 [0,1,0,0,0,0|2,1,0]=4 479 B11R0.34 CC(C)CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210312 [0,1,0,0,0,0|2,1,0]=4 480 B11R0.34 CC(C)CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000181311 [0,1,0,0,0,0|3,0,0]=4 481 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 11a_100000210953_100000211214 [0,1,0,0,0,0|2,0,1]=4 482 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 1626a_100000210953_100000211214 [0,1,0,0,0,0|2,0,1]=4 483 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 240690a_100000210953_100000211214 [0,1,0,0,0,0|2,0,1]=4 484 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 527a_100000210953_100000211214 [0,1,0,0,0,0|2,0,1]=4 485 B11R0.34 CC(C)CNC(=O)CC(C)(C)O 527a_100000210953_100000693243 [0,1,0,0,0,0|1,0,2]=4 486 B11R0.34 CC(C)CNC(=O)CS(=O)(=O)C 11a_100000210953_100000744497 [0,1,0,0,0,0|2,0,0]=3 487 B11R0.34 CC(C)CNC(=O)CS(=O)(=O)C 240690a_100000210953_100000744497 [0,1,0,0,0,0|2,0,0]=3 488 B11R0.34 CC(C)CNC(=O)CS(=O)(=O)C 527a_100000210953_100000744497 [0,1,0,0,0,0|2,0,0]=3 489 B11R0.34 CC(C)CNC(=O)C[N+](C)(C)C 11a_100000210953_100000033712 [0,1,0,0,0,0|3,0,0]=4 490 B11R0.34 CC(C)CNC(=O)C[N+](C)(C)C 1626a_100000210953_100000033712 [0,1,0,0,0,0|3,0,0]=4 491 B11R0.34 CC(C)CNC(=O)C[N+](C)(C)C 240690a_100000210953_100000033712 [0,1,0,0,0,0|3,0,0]=4 492 B11R0.34 CC(C)CNC(=O)C[N+](C)(C)C 527a_100000210953_100000033712 [0,1,0,0,0,0|3,0,0]=4 493 B11R0.34 CC(C)CNC(=O)C[Si](C)(C)C 11a_100000210953_100011218504 [0,1,0,0,0,0|2,1,0]=4 494 B11R0.34 CC(C)CNC(=O)C[Si](C)(C)C 1626a_100000210953_100011218504 [0,1,0,0,0,0|2,1,0]=4 495 B11R0.34 CC(C)NNC(=O)CS(=O)(=O)C 22a_100000741168_100000744497 [0,1,0,0,0,0|3,0,0]=4 496 B11R0.34 CC(O)CCC(=O)CS(=O)(=O)C 1458a_100000744497_100012276601 [0,1,0,0,0,0|3,0,0]=4 497 B11R0.34 CC(O)CNC(=O)CS(=O)(=O)C 11a_100000210904_100000744497 [0,1,0,0,0,0|3,0,0]=4 498 B11R0.34 CC(O)CNC(=O)CS(=O)(=O)C 240690a_100000210904_100000744497 [0,1,0,0,0,0|3,0,0]=4 499 B11R0.34 CC(O)CNC(=O)CS(=O)(=O)C 527a_100000210904_100000744497 [0,1,0,0,0,0|3,0,0]=4 500 B11R0.34 CN(C)COC(=O)CC(C)(C)C 2230a_100102631434_200010999194 [0,1,0,0,0,0|2,0,1]=4 501 B11R0.34 CN(C)COC(=O)CC(C)(C)C 269982a_100102631434_200010999194 [0,1,0,0,0,0|2,0,1]=4 502 B11R0.93 C#CC(=O)CC(=O)NCC(C)C 1458a_100000211873_100000183291 [0,1,0,0,0,0|1,0,1]=3 503 B11R0.93 C=C(C#N)CC(=O)CCC(C)C 1458a_100000181311_100000694840 [0,1,0,0,0,0|2,0,1]=4 504 B11R0.93 C=C(C)CCC(=O)CC(=O)CC 1458a_200000688413_100000747405 [0,1,0,0,0,0|1,0,2]=4 505 B11R0.93 C=C(C)CCC(=O)CC(=O)NC 1458a_200000688413_100000183359 [0,1,0,0,0,0|1,0,2]=4 506 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_100000211351_100000730704 [0,1,0,0,0,0|1,0,2]=4 507 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_200000688413_100000747449 [0,1,0,0,0,0|1,0,2]=4 508 B11R0.93 C=C(C)CNC(=O)CC(=O)OC 240690a_100000765925_100000211351 [0,1,0,0,0,0|1,0,2]=4 509 B11R0.93 C=CC(=O)CC(=O)NCC(C)C 1458a_100000185746_100000183291 [0,1,0,0,0,0|1,0,1]=3 510 B11R0.93 C=CC(C)CC(=O)CCC(C)C 1458a_100011934298_100000210312 [0,1,0,0,0,0|2,0,1]=4 511 B11R0.93 C=CC(C)CC(=O)NCC(C)C 11a_100000210953_100011934298 [0,1,0,0,0,0|2,0,1]=4 512 B11R0.93 C=CC(C)CC(=O)NCC(C)C 1626a_100000210953_100011934298 [0,1,0,0,0,0|2,0,1]=4 513 B11R0.93 C=CC(C)CC(=O)NCC(C)C 240690a_100000210953_100011934298 [0,1,0,0,0,0|2,0,1]=4 514 B11R0.93 C=CC(C)CC(=O)NCC(C)C 527a_100000210953_100011934298 [0,1,0,0,0,0|2,0,1]=4 515 B11R0.93 CC(C)CCC(=O)C[C@@H](C)CO 1458a_100000181311_100000059175 [0,1,0,0,0,0|1,0,2]=4 516 B11R0.93 CC(C)CNC(=O)CC(=O)CO 1458a_100000210174_100000183291 [0,1,0,0,0,0|1,0,0]=2 517 B11R0.93 CCC(=CC(=O)CCC(C)C)C 1458a_100020758463_100000210312 [0,1,0,0,0,0|2,0,1]=4 518 B11R0.93 CCC(=CC(=O)NCC(C)C)C 11a_100000210953_100020758463 [0,1,0,0,0,0|2,0,1]=4 519 B11R0.93 CCC(=CC(=O)NCC(C)C)C 1626a_100000210953_100020758463 [0,1,0,0,0,0|2,0,1]=4 520 B11R0.93 CCC(=CC(=O)NCC(C)C)C 240690a_100000210953_100020758463 [0,1,0,0,0,0|2,0,1]=4 521 B11R0.93 CCC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000747405 [0,1,0,0,0,0|1,0,1]=3 522 B11R0.93 CCC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000747405 [0,1,0,0,0,0|1,0,2]=4 523 B11R0.93 CCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747405 [0,1,0,0,0,0|1,0,0]=2 524 B11R0.93 CCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747405 [0,1,0,0,0,0|2,0,0]=3 525 B11R0.93 CCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747405 [0,1,0,0,0,0|2,0,0]=3 526 B11R0.93 CCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747405 [0,1,0,0,0,0|2,0,0]=3 527 B11R0.93 CCC(=O)CC(=O)NCC(C)C 1458a_100000210414_100000183291 [0,1,0,0,0,0|1,0,0]=2 528 B11R0.93 CCC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747405 [0,1,0,0,0,0|3,0,0]=4 529 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000181311_100000748023 [0,1,0,0,0,0|2,0,1]=4 530 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000708755_100000210312 [0,1,0,0,0,0|2,0,1]=4 531 B11R0.93 CCC(C)CC(=O)NCC(C)C 11a_100000210953_100000708755 [0,1,0,0,0,0|2,0,1]=4 532 B11R0.93 CCC(C)CC(=O)NCC(C)C 1626a_100000210953_100000708755 [0,1,0,0,0,0|2,0,1]=4 533 B11R0.93 CCC(C)CC(=O)NCC(C)C 240690a_100000210953_100000708755 [0,1,0,0,0,0|2,0,1]=4 534 B11R0.93 CCC(C)CC(=O)NCC(C)C 527a_100000210953_100000708755 [0,1,0,0,0,0|2,0,1]=4 535 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100000181311_100011218378 [0,1,0,0,0,0|1,0,2]=4 536 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100011667805_100000210312 [0,1,0,0,0,0|1,0,2]=4 537 B11R0.93 CCC(O)CC(=O)NCC(C)C 1626a_100000210953_100011667805 [0,1,0,0,0,0|1,0,2]=4 538 B11R0.93 CCC(O)CC(=O)NCC(C)C 240690a_100000210953_100011667805 [0,1,0,0,0,0|1,0,2]=4 539 B11R0.93 CCN(C)CC(=O)CCC(C)C 1458a_100116209913_100000210312 [0,1,0,0,0,0|3,0,0]=4 540 B11R0.93 CCN(C)CC(=O)NCC(C)C 2230a_100000225621_100000183291 [0,1,0,0,0,0|3,0,0]=4 541 B11R0.93 CCN(C)CC(=O)NCC(C)C 240690a_100000210953_100116209913 [0,1,0,0,0,0|3,0,0]=4 542 B11R0.93 CCN(C)CC(=O)NCC(C)C 269982a_100000225621_100000183291 [0,1,0,0,0,0|3,0,0]=4 543 B11R0.93 CCN(C)CC(=O)NCC(C)C 527a_100000210953_100116209913 [0,1,0,0,0,0|3,0,0]=4 544 B11R0.93 CC[C@H](C)CC(=O)CCC(C)C 1458a_100000181311_100009816398 [0,1,0,0,0,0|2,0,1]=4 545 B11R0.93 CNC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000183359 [0,1,0,0,0,0|1,0,1]=3 546 B11R0.93 CNC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000183359 [0,1,0,0,0,0|1,0,2]=4 547 B11R0.93 CNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183359 [0,1,0,0,0,0|1,0,0]=2 548 B11R0.93 CNC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000183359 [0,1,0,0,0,0|2,0,0]=3 549 B11R0.93 CNC(=O)CC(=O)COC(C)C 1458a_100000745533_100000183359 [0,1,0,0,0,0|2,0,0]=3 550 B11R0.93 CNC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000183359 [0,1,0,0,0,0|2,0,0]=3 551 B11R0.93 CNC(=O)CN(C)CCC(C)C 2230a_100000189611_100000210312 [0,1,0,0,0,0|3,0,0]=4 552 B11R0.93 CNC(=O)CN(C)CCC(C)C 2230a_100000742789_100000183359 [0,1,0,0,0,0|3,0,0]=4 553 B11R0.93 CNC(=O)CN(C)CCC(C)C 269982a_100000742789_100000183359 [0,1,0,0,0,0|3,0,0]=4 554 B11R0.93 COC(=O)CC(=NNC(C)C)C 4a_100000741168_100000210079 [0,1,0,0,0,0|3,0,0]=4 555 B11R0.93 COC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000747449 [0,1,0,0,0,0|1,0,1]=3 556 B11R0.93 COC(=O)CC(=O)CC=C(C)C 1458a_100000211351_100000761012 [0,1,0,0,0,0|1,0,2]=4 557 B11R0.93 COC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000747449 [0,1,0,0,0,0|1,0,2]=4 558 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747449 [0,1,0,0,0,0|1,0,0]=2 559 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000211351_100000210312 [0,1,0,0,0,0|1,0,0]=2 560 B11R0.93 COC(=O)CC(=O)CCC(C)O 1458a_100000211351_100012276601 [0,1,0,0,0,0|2,0,0]=3 561 B11R0.93 COC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747449 [0,1,0,0,0,0|2,0,0]=3 562 B11R0.93 COC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747449 [0,1,0,0,0,0|2,0,0]=3 563 B11R0.93 COC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747449 [0,1,0,0,0,0|2,0,0]=3 564 B11R0.93 COC(=O)CC(=O)CSC(C)C 62a_100000210206_100000210525 [0,1,0,0,0,0|2,0,0]=3 565 B11R0.93 COC(=O)CC(=O)CSC(C)C 62a_100000210525_100000210206 [0,1,0,0,0,0|2,0,0]=3 566 B11R0.93 COC(=O)CC(=O)NCC(C)C 240690a_100000210953_100000211351 [0,1,0,0,0,0|1,0,0]=2 567 B11R0.93 COC(=O)CC(=O)NCC(C)O 240690a_100000210904_100000211351 [0,1,0,0,0,0|2,0,0]=3 568 B11R0.93 COC(=O)CC(=O)NCC(F)F 240690a_100000765723_100000211351 [0,1,0,0,0,0|3,0,0]=4 569 B11R0.93 COC(=O)CC(=O)NNC(C)C 22a_100000741168_100000211351 [0,1,0,0,0,0|2,0,0]=3 570 B11R0.93 COC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817358 [0,1,0,0,0,0|2,0,1]=4 571 B11R0.93 COC(=O)CC(C)NCC(C)C 34a_100000210953_100009817358 [0,1,0,0,0,0|2,0,1]=4 572 B11R0.93 COC(=O)CC(C)OCC(C)Br 34a_100012180447_100009817358 [0,1,0,0,0,0|2,0,1]=4 573 B11R0.93 COC(=O)CC(C)OCC(C)C 34a_100000210257_100009817358 [0,1,0,0,0,0|1,0,1]=3 574 B11R0.93 COC(=O)CC(C)OCC(C)F 34a_100015925927_100009817358 [0,1,0,0,0,0|2,0,1]=4 575 B11R0.93 COC(=O)CC(C)OC[C@@H](C)Cl 34a_100016084084_100009817358 [0,1,0,0,0,0|2,0,1]=4 576 B11R0.93 COC(=O)CC(C)OC[C@@H](C)N 34a_100000737577_100009817358 [0,1,0,0,0,0|2,0,1]=4 577 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100000210624_100009817358 [0,1,0,0,0,0|1,1,1]=4 578 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100009817358_100000210760 [0,1,0,0,0,0|1,1,1]=4 579 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000198492_100000210312 [0,1,0,0,0,0|3,0,0]=4 580 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000742789_100000747449 [0,1,0,0,0,0|3,0,0]=4 581 B11R0.93 COC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747449 [0,1,0,0,0,0|3,0,0]=4 582 B11R0.93 COC(=O)NC(=O)CSC(C)C 62a_100000210206_100000010850 [0,1,0,0,0,0|3,0,0]=4 583 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [0,1,0,0,0,0|2,0,0]=3 584 B11R0.107 C=C(C)CC(=O)CCN(C)CC 1458a_100000755305_100000748629 [0,1,0,0,0,0|3,0,0]=4 585 B11R0.107 C=C(F)CC(=O)CCC(C)CC 1458a_100000701222_100009893438 [0,1,0,0,0,0|2,0,1]=4 586 B11R0.107 CC(=CC(=O)NCC(C)CO)C 240690a_100000744482_100000211388 [0,1,0,0,0,0|2,0,1]=4 587 B11R0.107 CC(=CC(=O)NCC(C)CO)Cl 240690a_100000744482_200042562850 [0,1,0,0,0,0|2,0,1]=4 588 B11R0.107 CC(=O)CC(=O)NCC(O)CO 1458a_100000070787_200012027429 [0,1,0,0,0,0|2,0,0]=3 589 B11R0.107 CC(=O)NC(=O)COC(C)CF 7a_100016041109_100000183797 [0,1,0,0,0,0|3,0,0]=4 590 B11R0.107 CC(=O)NC(=O)CSC(C)CO 62a_100012180447_100000183797 [0,1,0,0,0,0|3,0,0]=4 591 B11R0.107 CC(=O)NC(=O)CS[C@H](C)CO 62a_100016084084_100000183797 [0,1,0,0,0,0|3,0,0]=4 592 B11R0.107 CC(C)CC(=O)NCC(C)CO 240690a_100000744482_100000210554 [0,1,0,0,0,0|2,0,1]=4 593 B11R0.107 CC(C)CC(=O)NCC(C)CO 527a_100000744482_100000210554 [0,1,0,0,0,0|2,0,1]=4 594 B11R0.107 CC(CO)CNC(=O)CC(=O)N 240690a_100000744482_100134613110 [0,1,0,0,0,0|2,0,0]=3 595 B11R0.107 CC(CO)CNC(=O)CC(=O)N 527a_100000744482_100134613110 [0,1,0,0,0,0|2,0,0]=3 596 B11R0.107 CC(CO)CNC(=O)CN(C)C 240690a_100000744482_100000750896 [0,1,0,0,0,0|3,0,0]=4 597 B11R0.107 CC(CO)CNC(=O)CN(C)C 527a_100000744482_100000750896 [0,1,0,0,0,0|3,0,0]=4 598 B11R0.107 CC(CO)CNC(=O)C[C@@H](C)O 240690a_100000744482_100011933948 [0,1,0,0,0,0|1,0,2]=4 599 B11R0.107 CC(CO)CNC(=O)C[S+](C)C 240690a_100000744482_200159257847 [0,1,0,0,0,0|3,0,0]=4 600 B11R0.107 CC(CO)CNC(=O)C[S+](C)C 527a_100000744482_200159257847 [0,1,0,0,0,0|3,0,0]=4 601 B11R0.107 CCC(C)CCC(=O)CC(=O)N 1458a_100000701222_100000187820 [0,1,0,0,0,0|2,0,0]=3 602 B11R0.107 CCC(C)CCC(=O)CC(=O)[O-] 1458a_100000701222_100020667443 [0,1,0,0,0,0|2,0,0]=3 603 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,1,0,0,0,0|2,0,1]=4 604 B11R0.107 CCC(C)CCC(=O)CC(C)O 1458a_100000701222_100011218427 [0,1,0,0,0,0|1,0,2]=4 605 B11R0.107 CCC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000701222_100000761209 [0,1,0,0,0,0|3,0,0]=4 606 B11R0.107 CCC(C)CNC(=O)C=C(C)C 11a_100020588543_100000211388 [0,1,0,0,0,0|2,0,1]=4 607 B11R0.107 CCC(C)CNC(=O)C=C(C)C 1626a_100020588543_100000211388 [0,1,0,0,0,0|2,0,1]=4 608 B11R0.107 CCC(C)CNC(=O)C=C(C)C 240690a_100020588543_100000211388 [0,1,0,0,0,0|2,0,1]=4 609 B11R0.107 CCC(C)CNC(=O)C=C(C)Cl 11a_100020588543_200042562850 [0,1,0,0,0,0|2,0,1]=4 610 B11R0.107 CCC(C)CNC(=O)C=C(C)Cl 1626a_100020588543_200042562850 [0,1,0,0,0,0|2,0,1]=4 611 B11R0.107 CCC(C)CNC(=O)C=C(C)Cl 240690a_100020588543_200042562850 [0,1,0,0,0,0|2,0,1]=4 612 B11R0.107 CCC(C)CNC(=O)C=C(C)I 11a_100020588543_100025716642 [0,1,0,0,0,0|2,0,1]=4 613 B11R0.107 CCC(C)CNC(=O)C=C(C)I 1626a_100020588543_100025716642 [0,1,0,0,0,0|2,0,1]=4 614 B11R0.107 CCC(C)CNC(=O)CC(=O)N 240690a_100020588543_100134613110 [0,1,0,0,0,0|2,0,0]=3 615 B11R0.107 CCC(C)CNC(=O)CC(=O)N 527a_100020588543_100134613110 [0,1,0,0,0,0|2,0,0]=3 616 B11R0.107 CCC(C)CNC(=O)CC(C)C 11a_100020588543_100000210554 [0,1,0,0,0,0|2,0,1]=4 617 B11R0.107 CCC(C)CNC(=O)CC(C)C 1626a_100020588543_100000210554 [0,1,0,0,0,0|2,0,1]=4 618 B11R0.107 CCC(C)CNC(=O)CC(C)C 240690a_100020588543_100000210554 [0,1,0,0,0,0|2,0,1]=4 619 B11R0.107 CCC(C)CNC(=O)CC(C)C 527a_100020588543_100000210554 [0,1,0,0,0,0|2,0,1]=4 620 B11R0.107 CCC(C)CNC(=O)CN(C)C 11a_100020588543_100000750896 [0,1,0,0,0,0|3,0,0]=4 621 B11R0.107 CCC(C)CNC(=O)CN(C)C 240690a_100020588543_100000750896 [0,1,0,0,0,0|3,0,0]=4 622 B11R0.107 CCC(C)CNC(=O)CN(C)C 527a_100020588543_100000750896 [0,1,0,0,0,0|3,0,0]=4 623 B11R0.107 CCC(C)CNC(=O)C[C@@H](C)O 240690a_100020588543_100011933948 [0,1,0,0,0,0|1,0,2]=4 624 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 11a_100020588543_200159257847 [0,1,0,0,0,0|3,0,0]=4 625 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 1626a_100020588543_200159257847 [0,1,0,0,0,0|3,0,0]=4 626 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 240690a_100020588543_200159257847 [0,1,0,0,0,0|3,0,0]=4 627 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 527a_100020588543_200159257847 [0,1,0,0,0,0|3,0,0]=4 628 B11R0.107 CCC(C)NNC(=O)CC(=O)N 22a_100000718999_100134613110 [0,1,0,0,0,0|3,0,0]=4 629 B11R0.107 CCC(C)OCC(=O)NC(=O)C 7a_100000210228_100000183797 [0,1,0,0,0,0|3,0,0]=4 630 B11R0.107 CCC(C)SCC(=O)NC(=O)C 62a_100000758301_100000183797 [0,1,0,0,0,0|3,0,0]=4 631 B11R0.107 CCC(O)CNC(=O)CC(=O)N 240690a_100011218483_100134613110 [0,1,0,0,0,0|3,0,0]=4 632 B11R0.107 CCC(O)CNC(=O)CC(=O)N 527a_100011218483_100134613110 [0,1,0,0,0,0|3,0,0]=4 633 B11R0.107 CCN(C)CCC(=O)CC(=O)N 1458a_100000755305_100000187820 [0,1,0,0,0,0|3,0,0]=4 634 B11R0.107 CCN(C)CCC(=O)CC(=O)[O-] 1458a_100000755305_100020667443 [0,1,0,0,0,0|3,0,0]=4 635 B11R0.107 COC(=O)CCC(=O)CC(=O)C 1458a_100000070787_100000691467 [0,1,0,0,0,0|2,0,1]=4 636 B11R0.107 COC(=O)CNC(=O)CC(=O)C 1458a_100000070787_100000182966 [0,1,0,0,0,0|2,0,1]=4 637 B11R0.107 COC(C)SCC(=O)NC(=O)C 62a_100009879195_100000183797 [0,1,0,0,0,0|3,0,0]=4 638 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 11a_100020591295_100000211388 [0,1,0,0,0,0|2,0,1]=4 639 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 1626a_100020591295_100000211388 [0,1,0,0,0,0|2,0,1]=4 640 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 240690a_100020591295_100000211388 [0,1,0,0,0,0|2,0,1]=4 641 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)Cl 11a_100020591295_200042562850 [0,1,0,0,0,0|2,0,1]=4 642 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)Cl 1626a_100020591295_200042562850 [0,1,0,0,0,0|2,0,1]=4 643 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)Cl 240690a_100020591295_200042562850 [0,1,0,0,0,0|2,0,1]=4 644 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)I 11a_100020591295_100025716642 [0,1,0,0,0,0|2,0,1]=4 645 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)I 1626a_100020591295_100025716642 [0,1,0,0,0,0|2,0,1]=4 646 B11R0.107 CO[C@H](C)CNC(=O)CC(=O)N 240690a_100020591295_100134613110 [0,1,0,0,0,0|2,0,0]=3 647 B11R0.107 CO[C@H](C)CNC(=O)CC(=O)N 527a_100020591295_100134613110 [0,1,0,0,0,0|2,0,0]=3 648 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 11a_100020591295_100000210554 [0,1,0,0,0,0|2,0,1]=4 649 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 1626a_100020591295_100000210554 [0,1,0,0,0,0|2,0,1]=4 650 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 240690a_100020591295_100000210554 [0,1,0,0,0,0|2,0,1]=4 651 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 527a_100020591295_100000210554 [0,1,0,0,0,0|2,0,1]=4 652 B11R0.107 CO[C@H](C)CNC(=O)CN(C)C 11a_100020591295_100000750896 [0,1,0,0,0,0|3,0,0]=4 653 B11R0.107 CO[C@H](C)CNC(=O)CN(C)C 240690a_100020591295_100000750896 [0,1,0,0,0,0|3,0,0]=4 654 B11R0.107 CO[C@H](C)CNC(=O)CN(C)C 527a_100020591295_100000750896 [0,1,0,0,0,0|3,0,0]=4 655 B11R0.107 CO[C@H](C)CNC(=O)C[C@@H](C)O 240690a_100020591295_100011933948 [0,1,0,0,0,0|1,0,2]=4 656 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 11a_100020591295_200159257847 [0,1,0,0,0,0|3,0,0]=4 657 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 1626a_100020591295_200159257847 [0,1,0,0,0,0|3,0,0]=4 658 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 240690a_100020591295_200159257847 [0,1,0,0,0,0|3,0,0]=4 659 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 527a_100020591295_200159257847 [0,1,0,0,0,0|3,0,0]=4 660 B11R0.107 NC(=O)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100134613110 [0,1,0,0,0,0|3,0,0]=4 661 B11R0.107 NC(=O)CC(=O)NC[C@@H](F)CO 527a_100015665980_100134613110 [0,1,0,0,0,0|3,0,0]=4 662 B11R0.107 NC(=O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100134613110 [0,1,0,0,0,0|3,0,0]=4 663 B11R0.107 NC(=O)CC(=O)NC[C@H](O)CO 527a_100020644852_100134613110 [0,1,0,0,0,0|3,0,0]=4 664 B11R0.149 C=C(C)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000748629 [0,1,0,0,0,0|3,0,0]=4 665 B11R0.149 C=C(C)CC(=O)C(C)CN(C)C 1458a_200015186601_100000748629 [0,1,0,0,0,0|3,0,0]=4 666 B11R0.149 C=C(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000748629 [0,1,0,0,0,0|2,0,0]=3 667 B11R0.149 C=C(F)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100009893438 [0,1,0,0,0,0|2,0,1]=4 668 B11R0.149 CC(=CC(=O)C(C)CC(C)C)C 1458a_100000211388_100000731052 [0,1,0,0,0,0|2,0,1]=4 669 B11R0.149 CC(=CC(=O)C(C)CC(C)C)Cl 1458a_200042562850_100000731052 [0,1,0,0,0,0|2,0,1]=4 670 B11R0.149 CC(=CC(=O)C(C)CC(C)C)I 1458a_100025716642_100000731052 [0,1,0,0,0,0|2,0,1]=4 671 B11R0.149 CC(=CC(=O)N(C)CC(C)C)C 11a_100000747067_100000211388 [0,1,0,0,0,0|2,0,1]=4 672 B11R0.149 CC(=CC(=O)N(C)CC(C)C)C 1626a_100000747067_100000211388 [0,1,0,0,0,0|2,0,1]=4 673 B11R0.149 CC(=CC(=O)N(C)CC(C)C)C 240690a_100000747067_100000211388 [0,1,0,0,0,0|2,0,1]=4 674 B11R0.149 CC(=CC(=O)N(C)CC(C)C)Cl 11a_100000747067_200042562850 [0,1,0,0,0,0|2,0,1]=4 675 B11R0.149 CC(=CC(=O)N(C)CC(C)C)Cl 1626a_100000747067_200042562850 [0,1,0,0,0,0|2,0,1]=4 676 B11R0.149 CC(=CC(=O)N(C)CC(C)C)Cl 240690a_100000747067_200042562850 [0,1,0,0,0,0|2,0,1]=4 677 B11R0.149 CC(=CC(=O)N(C)CC(C)C)I 11a_100000747067_100025716642 [0,1,0,0,0,0|2,0,1]=4 678 B11R0.149 CC(=CC(=O)N(C)CC(C)C)I 1626a_100000747067_100025716642 [0,1,0,0,0,0|2,0,1]=4 679 B11R0.149 CC(C)CC(=O)C(C)CC(C)C 1458a_100000210554_100000731052 [0,1,0,0,0,0|2,0,1]=4 680 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 11a_100000747067_100000210554 [0,1,0,0,0,0|2,0,1]=4 681 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 1626a_100000747067_100000210554 [0,1,0,0,0,0|2,0,1]=4 682 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 240690a_100000747067_100000210554 [0,1,0,0,0,0|2,0,1]=4 683 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 527a_100000747067_100000210554 [0,1,0,0,0,0|2,0,1]=4 684 B11R0.149 CC(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210624 [0,1,0,0,0,0|2,0,1]=4 685 B11R0.149 CC(C)CC(C)C(=O)CC(=O)N 1458a_100134613110_100000731052 [0,1,0,0,0,0|2,0,0]=3 686 B11R0.149 CC(C)CC(C)C(=O)CN(C)C 1458a_100000750896_100000731052 [0,1,0,0,0,0|3,0,0]=4 687 B11R0.149 CC(C)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000731052 [0,1,0,0,0,0|1,0,2]=4 688 B11R0.149 CC(C)CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000731052 [0,1,0,0,0,0|3,0,0]=4 689 B11R0.149 CC(C)CN(C)C(=O)CC(=O)N 240690a_100000747067_100134613110 [0,1,0,0,0,0|2,0,0]=3 690 B11R0.149 CC(C)CN(C)C(=O)CC(=O)N 527a_100000747067_100134613110 [0,1,0,0,0,0|2,0,0]=3 691 B11R0.149 CC(C)CN(C)C(=O)CN(C)C 11a_100000747067_100000750896 [0,1,0,0,0,0|3,0,0]=4 692 B11R0.149 CC(C)CN(C)C(=O)CN(C)C 240690a_100000747067_100000750896 [0,1,0,0,0,0|3,0,0]=4 693 B11R0.149 CC(C)CN(C)C(=O)CN(C)C 527a_100000747067_100000750896 [0,1,0,0,0,0|3,0,0]=4 694 B11R0.149 CC(C)CN(C)C(=O)C[C@@H](C)O 240690a_100000747067_100011933948 [0,1,0,0,0,0|1,0,2]=4 695 B11R0.149 CC(C)CN(C)C(=O)C[S+](C)C 11a_100000747067_200159257847 [0,1,0,0,0,0|3,0,0]=4 696 B11R0.149 CC(C)CN(C)C(=O)C[S+](C)C 1626a_100000747067_200159257847 [0,1,0,0,0,0|3,0,0]=4 697 B11R0.149 CC(C)CN(C)C(=O)C[S+](C)C 240690a_100000747067_200159257847 [0,1,0,0,0,0|3,0,0]=4 698 B11R0.149 CC(C)CN(C)C(=O)C[S+](C)C 527a_100000747067_200159257847 [0,1,0,0,0,0|3,0,0]=4 699 B11R0.149 CC(C)C[C@H](O)C(=O)CC(=O)N 1458a_100012027011_100000187820 [0,1,0,0,0,0|2,0,0]=3 700 B11R0.149 CC(C)C[C@H](O)C(=O)CC(=O)[O-] 1458a_100012027011_100020667443 [0,1,0,0,0,0|2,0,0]=3 701 B11R0.149 CC(C)C[C@H](O)C(=O)CC(C)O 1458a_100012027011_100011218427 [0,1,0,0,0,0|1,0,2]=4 702 B11R0.149 CC(C)C[C@H](O)C(=O)C[N+](=O)[O-] 1458a_100012027011_100000761209 [0,1,0,0,0,0|3,0,0]=4 703 B11R0.149 CC(C)NC(=O)C(=O)CC(=O)N 1458a_100011220036_100000187820 [0,1,0,0,0,0|3,0,0]=4 704 B11R0.149 CC(C)NC(=O)C(=O)CC(=O)[O-] 1458a_100011220036_100020667443 [0,1,0,0,0,0|3,0,0]=4 705 B11R0.149 CC(CN(C)C)C(=O)CC(=O)N 1458a_200015186601_100000187820 [0,1,0,0,0,0|3,0,0]=4 706 B11R0.149 CC(CN(C)C)C(=O)CC(=O)[O-] 1458a_200015186601_100020667443 [0,1,0,0,0,0|3,0,0]=4 707 B11R0.149 CC(O)CN(C)C(=O)CC(=O)N 240690a_100000227577_100134613110 [0,1,0,0,0,0|3,0,0]=4 708 B11R0.149 CC(O)CN(C)C(=O)CC(=O)N 527a_100000227577_100134613110 [0,1,0,0,0,0|3,0,0]=4 709 B11R0.173 C=C(C)CCC(=O)C(C)C(=O)C 1458a_200000688413_100000179758 [0,1,0,0,0,0|1,0,2]=4 710 B11R0.173 CC(=O)C(C)C(=O)C=CC(C)C 1458a_100016268746_100000179758 [0,1,0,0,0,0|1,0,1]=3 711 B11R0.173 CC(=O)C(C)C(=O)CC=C(C)C 1458a_100011220947_100000179758 [0,1,0,0,0,0|1,0,2]=4 712 B11R0.173 CC(=O)C(C)C(=O)CCC(C)C 1458a_100000181311_100000179758 [0,1,0,0,0,0|1,0,0]=2 713 B11R0.173 CC(=O)C(C)C(=O)CC[S+](C)C 1458a_100009452791_100000179758 [0,1,0,0,0,0|2,0,0]=3 714 B11R0.173 CC(=O)C(C)C(=O)COC(C)C 1458a_100000745533_100000179758 [0,1,0,0,0,0|2,0,0]=3 715 B11R0.173 CC(=O)C(C)C(=O)CSC(C)C 1458a_100000241585_100000179758 [0,1,0,0,0,0|2,0,0]=3 716 B11R0.173 CC(=O)C(C)C(=O)NCC(C)C 1458a_100000070787_100000230289 [0,1,0,0,0,0|1,0,0]=2 717 B11R0.173 CC(=O)C(C)N(C)CCC(C)C 2230a_100000742789_100009814033 [0,1,0,0,0,0|3,0,0]=4 718 B11R0.173 CC(=O)C(C)N(C)CCC(C)C 269982a_100000742789_100009814033 [0,1,0,0,0,0|3,0,0]=4 719 B11R0.173 CC(C(=O)N)C(=O)CC[S+](C)C 1458a_100009452791_100000702099 [0,1,0,0,0,0|3,0,0]=4 720 B11R0.173 CC(C)C=CC(=O)C(C)C(=O)N 1458a_100016268746_100000702099 [0,1,0,0,0,0|2,0,1]=4 721 B11R0.173 CC(C)C=CC(=O)C(F)C(=O)N 1458a_100016268746_100009813875 [0,1,0,0,0,0|2,0,1]=4 722 B11R0.173 CC(C)C=CC(=O)C(F)C(=O)[O-] 1458a_100016268746_100020610796 [0,1,0,0,0,0|2,0,1]=4 723 B11R0.173 CC(C)CCC(=O)C(C)C(=O)N 1458a_100000181311_100000702099 [0,1,0,0,0,0|2,0,0]=3 724 B11R0.173 CC(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000210312 [0,1,0,0,0,0|2,0,1]=4 725 B11R0.173 CC(C)CCC(=O)C(F)C(=O)N 1458a_100000181311_100009813875 [0,1,0,0,0,0|2,0,0]=3 726 B11R0.173 CC(C)CCC(=O)C(F)C(=O)[O-] 1458a_100000181311_100020610796 [0,1,0,0,0,0|2,0,0]=3 727 B11R0.173 CC(C)CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210312 [0,1,0,0,0,0|3,0,0]=4 728 B11R0.173 CC(C)CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210312 [0,1,0,0,0,0|2,0,1]=4 729 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 11a_100000210953_100000755409 [0,1,0,0,0,0|2,0,1]=4 730 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 1626a_100000210953_100000755409 [0,1,0,0,0,0|2,0,1]=4 731 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 240690a_100000210953_100000755409 [0,1,0,0,0,0|2,0,1]=4 732 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 527a_100000210953_100000755409 [0,1,0,0,0,0|2,0,1]=4 733 B11R0.173 CC(C)CNC(=O)C(C)N(C)C 2230a_100102631434_100000230289 [0,1,0,0,0,0|3,0,0]=4 734 B11R0.173 CC(C)CNC(=O)C(C)N(C)C 269982a_100102631434_100000230289 [0,1,0,0,0,0|3,0,0]=4 735 B11R0.173 CC(C)CNC(=O)[C@H](C)N(C)C 240690a_100000210953_100009822176 [0,1,0,0,0,0|3,0,0]=4 736 B11R0.173 CC(C)CNC(=O)[C@H](C)N(C)C 527a_100000210953_100009822176 [0,1,0,0,0,0|3,0,0]=4 737 B11R0.173 CC(C)CNC(=O)[C@H](O)C(C)C 240690a_100000210953_100000691806 [0,1,0,0,0,0|2,0,1]=4 738 B11R0.173 CC(C)CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210624 [0,1,0,0,0,0|2,0,1]=4 739 B11R0.173 CC(C)OCC(=O)C(C)C(=O)N 1458a_100000745533_100000702099 [0,1,0,0,0,0|3,0,0]=4 740 B11R0.173 CC(C)OCC(=O)C(F)C(=O)N 1458a_100000745533_100009813875 [0,1,0,0,0,0|3,0,0]=4 741 B11R0.173 CC(C)OCC(=O)C(F)C(=O)[O-] 1458a_100000745533_100020610796 [0,1,0,0,0,0|3,0,0]=4 742 B11R0.173 CC(C)SCC(=O)C(C)C(=O)N 1458a_100000241585_100000702099 [0,1,0,0,0,0|3,0,0]=4 743 B11R0.173 CC(C)SCC(=O)C(F)C(=O)N 1458a_100000241585_100009813875 [0,1,0,0,0,0|3,0,0]=4 744 B11R0.173 CC(C)SCC(=O)C(F)C(=O)[O-] 1458a_100000241585_100020610796 [0,1,0,0,0,0|3,0,0]=4 745 B11R0.173 C[S+](C)CCC(=O)C(F)C(=O)N 1458a_100009452791_100009813875 [0,1,0,0,0,0|3,0,0]=4 746 B11R0.173 C[S+](C)CCC(=O)C(F)C(=O)[O-] 1458a_100009452791_100020610796 [0,1,0,0,0,0|3,0,0]=4 747 B11R0.232 CC(=O)CC(C)(C)OCC(C)C 7a_100000210262_100000210760 [0,1,0,0,0,0|1,0,1]=3 748 B11R0.232 CC(=O)CC(C)(C)OCC(C)O 7a_100000210262_100011218427 [0,1,0,0,0,0|2,0,1]=4 749 B11R0.232 CC(=O)CC(C)(C)OC[C@@H](C)O 7a_100000210262_100009817552 [0,1,0,0,0,0|2,0,1]=4 750 B11R0.337 C=C(C)CC(=O)C#CC(C)(C)C 1458a_100011966651_100000748629 [0,1,0,0,0,0|2,0,1]=4 751 B11R0.337 C=C(C)CC(=O)CCC(C)(C)C 1458a_100000757465_100000748629 [0,1,0,0,0,0|2,0,0]=3 752 B11R0.337 C=C(C)CC(=O)CCC(C)(F)F 1458a_100000030992_100000748629 [0,1,0,0,0,0|3,0,0]=4 753 B11R0.337 C=C(C)CC(=O)CC[Si](C)(C)C 1458a_100011215282_100000748629 [0,1,0,0,0,0|2,1,0]=4 754 B11R0.337 C=C(C)CC(=O)COC(C)(C)C 1458a_100000686494_100000748629 [0,1,0,0,0,0|3,0,0]=4 755 B11R0.337 C=C(F)CC(=O)CCC(C)(C)C 1458a_100000757465_100009893438 [0,1,0,0,0,0|2,0,1]=4 756 B11R0.337 CC(=CC(=O)CCC(C)(C)C)C 1458a_100000211388_100000755188 [0,1,0,0,0,0|2,0,1]=4 757 B11R0.337 CC(=CC(=O)CCC(C)(C)C)Cl 1458a_200042562850_100000755188 [0,1,0,0,0,0|2,0,1]=4 758 B11R0.337 CC(=CC(=O)CCC(C)(C)C)I 1458a_100025716642_100000755188 [0,1,0,0,0,0|2,0,1]=4 759 B11R0.337 CC(=CC(=O)NCC(C)(C)C)C 11a_100000743828_100000211388 [0,1,0,0,0,0|2,0,1]=4 760 B11R0.337 CC(=CC(=O)NCC(C)(C)C)C 1626a_100000743828_100000211388 [0,1,0,0,0,0|2,0,1]=4 761 B11R0.337 CC(=CC(=O)NCC(C)(C)C)C 240690a_100000743828_100000211388 [0,1,0,0,0,0|2,0,1]=4 762 B11R0.337 CC(=CC(=O)NCC(C)(C)C)Cl 11a_100000743828_200042562850 [0,1,0,0,0,0|2,0,1]=4 763 B11R0.337 CC(=CC(=O)NCC(C)(C)C)Cl 1626a_100000743828_200042562850 [0,1,0,0,0,0|2,0,1]=4 764 B11R0.337 CC(=CC(=O)NCC(C)(C)C)Cl 240690a_100000743828_200042562850 [0,1,0,0,0,0|2,0,1]=4 765 B11R0.337 CC(=CC(=O)NCC(C)(C)C)I 11a_100000743828_100025716642 [0,1,0,0,0,0|2,0,1]=4 766 B11R0.337 CC(=CC(=O)NCC(C)(C)C)I 1626a_100000743828_100025716642 [0,1,0,0,0,0|2,0,1]=4 767 B11R0.337 CC(=CC(=O)NCC(C)(C)F)C 11a_100020643315_100000211388 [0,1,0,0,0,0|2,0,1]=4 768 B11R0.337 CC(=CC(=O)NCC(C)(C)F)C 1626a_100020643315_100000211388 [0,1,0,0,0,0|2,0,1]=4 769 B11R0.337 CC(=CC(=O)NCC(C)(C)F)C 240690a_100020643315_100000211388 [0,1,0,0,0,0|2,0,1]=4 770 B11R0.337 CC(=CC(=O)NCC(C)(C)F)Cl 11a_100020643315_200042562850 [0,1,0,0,0,0|2,0,1]=4 771 B11R0.337 CC(=CC(=O)NCC(C)(C)F)Cl 1626a_100020643315_200042562850 [0,1,0,0,0,0|2,0,1]=4 772 B11R0.337 CC(=CC(=O)NCC(C)(C)F)Cl 240690a_100020643315_200042562850 [0,1,0,0,0,0|2,0,1]=4 773 B11R0.337 CC(=CC(=O)NCC(C)(C)F)I 11a_100020643315_100025716642 [0,1,0,0,0,0|2,0,1]=4 774 B11R0.337 CC(=CC(=O)NCC(C)(C)F)I 1626a_100020643315_100025716642 [0,1,0,0,0,0|2,0,1]=4 775 B11R0.337 CC(=CC(=O)NCC(C)(C)O)C 1626a_100000751335_100000211388 [0,1,0,0,0,0|2,0,1]=4 776 B11R0.337 CC(=CC(=O)NCC(C)(C)O)C 240690a_100000751335_100000211388 [0,1,0,0,0,0|2,0,1]=4 777 B11R0.337 CC(=CC(=O)NCC(C)(C)O)Cl 1626a_100000751335_200042562850 [0,1,0,0,0,0|2,0,1]=4 778 B11R0.337 CC(=CC(=O)NCC(C)(C)O)Cl 240690a_100000751335_200042562850 [0,1,0,0,0,0|2,0,1]=4 779 B11R0.337 CC(=CC(=O)NCC(C)(C)O)I 1626a_100000751335_100025716642 [0,1,0,0,0,0|2,0,1]=4 780 B11R0.337 CC(=O)CC(=O)C#C[Si](C)(C)C 1458a_100000070787_100010407354 [0,1,0,0,0,0|1,1,1]=4 781 B11R0.337 CC(=O)CC(=O)CCS(=O)(=O)C 1458a_100000070787_100103131435 [0,1,0,0,0,0|3,0,0]=4 782 B11R0.337 CC(=O)CC(=O)NCC(F)(F)F 1458a_100000070787_100000183837 [0,1,0,0,0,0|3,0,0]=4 783 B11R0.337 CC(=O)CC(=O)OCC(C)(C)C 1458a_100000070787_200010402935 [0,1,0,0,0,0|0,0,0]=1 784 B11R0.337 CC(=O)NC(=O)COC(C)(C)C 7a_100015890283_100000183797 [0,1,0,0,0,0|3,0,0]=4 785 B11R0.337 CC(=O)NC(=O)CSC(C)(C)C 62a_100000211941_100000183797 [0,1,0,0,0,0|3,0,0]=4 786 B11R0.337 CC(C)(C)C#CC(=O)CC(=O)N 1458a_100011966651_100000187820 [0,1,0,0,0,0|2,0,1]=4 787 B11R0.337 CC(C)(C)C#CC(=O)CC(=O)[O-] 1458a_100011966651_100020667443 [0,1,0,0,0,0|2,0,1]=4 788 B11R0.337 CC(C)(C)CCC(=O)CC(=O)N 1458a_100000757465_100000187820 [0,1,0,0,0,0|2,0,0]=3 789 B11R0.337 CC(C)(C)CCC(=O)CC(=O)N 1458a_100134613110_100000755188 [0,1,0,0,0,0|2,0,0]=3 790 B11R0.337 CC(C)(C)CCC(=O)CC(=O)[O-] 1458a_100000757465_100020667443 [0,1,0,0,0,0|2,0,0]=3 791 B11R0.337 CC(C)(C)CCC(=O)C[N+](=O)[O-] 1458a_100000757465_100000761209 [0,1,0,0,0,0|3,0,0]=4 792 B11R0.337 CC(C)(C)CNC(=O)CC(=O)N 240690a_100000743828_100134613110 [0,1,0,0,0,0|2,0,0]=3 793 B11R0.337 CC(C)(C)CNC(=O)CC(=O)N 527a_100000743828_100134613110 [0,1,0,0,0,0|2,0,0]=3 794 B11R0.337 CC(C)(C)NNC(=O)CC(=O)N 22a_100000725372_100134613110 [0,1,0,0,0,0|3,0,0]=4 795 B11R0.337 CC(C)(C)OCC(=O)CC(=O)N 1458a_100000686494_100000187820 [0,1,0,0,0,0|3,0,0]=4 796 B11R0.337 CC(C)(C)OCC(=O)CC(=O)[O-] 1458a_100000686494_100020667443 [0,1,0,0,0,0|3,0,0]=4 797 B11R0.337 CC(C)(F)CNC(=O)CC(=O)N 240690a_100020643315_100134613110 [0,1,0,0,0,0|2,0,0]=3 798 B11R0.337 CC(C)(F)CNC(=O)CC(=O)N 527a_100020643315_100134613110 [0,1,0,0,0,0|2,0,0]=3 799 B11R0.337 CC(C)(O)CNC(=O)CC(=O)N 240690a_100000751335_100134613110 [0,1,0,0,0,0|2,0,0]=3 800 B11R0.337 CC(C)(O)CNC(=O)CC(=O)N 527a_100000751335_100134613110 [0,1,0,0,0,0|2,0,0]=3 801 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000210554_100000755188 [0,1,0,0,0,0|2,0,1]=4 802 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000757465_100000210624 [0,1,0,0,0,0|2,0,1]=4 803 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 11a_100000743828_100000210554 [0,1,0,0,0,0|2,0,1]=4 804 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 1626a_100000743828_100000210554 [0,1,0,0,0,0|2,0,1]=4 805 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 240690a_100000743828_100000210554 [0,1,0,0,0,0|2,0,1]=4 806 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 527a_100000743828_100000210554 [0,1,0,0,0,0|2,0,1]=4 807 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 11a_100020643315_100000210554 [0,1,0,0,0,0|2,0,1]=4 808 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 1626a_100020643315_100000210554 [0,1,0,0,0,0|2,0,1]=4 809 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 240690a_100020643315_100000210554 [0,1,0,0,0,0|2,0,1]=4 810 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 527a_100020643315_100000210554 [0,1,0,0,0,0|2,0,1]=4 811 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 1626a_100000751335_100000210554 [0,1,0,0,0,0|2,0,1]=4 812 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 240690a_100000751335_100000210554 [0,1,0,0,0,0|2,0,1]=4 813 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 527a_100000751335_100000210554 [0,1,0,0,0,0|2,0,1]=4 814 B11R0.337 CC(F)(F)CCC(=O)CC(=O)N 1458a_100000030992_100000187820 [0,1,0,0,0,0|3,0,0]=4 815 B11R0.337 CC(F)(F)CCC(=O)CC(=O)[O-] 1458a_100000030992_100020667443 [0,1,0,0,0,0|3,0,0]=4 816 B11R0.337 CC(F)(F)CNC(=O)CC(=O)N 240690a_100000731000_100134613110 [0,1,0,0,0,0|3,0,0]=4 817 B11R0.337 CC(F)(F)CNC(=O)CC(=O)N 527a_100000731000_100134613110 [0,1,0,0,0,0|3,0,0]=4 818 B11R0.337 CC(O)CC(=O)CCC(C)(C)C 1458a_100000757465_100011218427 [0,1,0,0,0,0|1,0,2]=4 819 B11R0.337 CN(C)CC(=O)CCC(C)(C)C 1458a_100000750896_100000755188 [0,1,0,0,0,0|3,0,0]=4 820 B11R0.337 CN(C)CC(=O)NCC(C)(C)C 11a_100000743828_100000750896 [0,1,0,0,0,0|3,0,0]=4 821 B11R0.337 CN(C)CC(=O)NCC(C)(C)C 240690a_100000743828_100000750896 [0,1,0,0,0,0|3,0,0]=4 822 B11R0.337 CN(C)CC(=O)NCC(C)(C)C 527a_100000743828_100000750896 [0,1,0,0,0,0|3,0,0]=4 823 B11R0.337 CN(C)CC(=O)NCC(C)(C)F 11a_100020643315_100000750896 [0,1,0,0,0,0|3,0,0]=4 824 B11R0.337 CN(C)CC(=O)NCC(C)(C)F 240690a_100020643315_100000750896 [0,1,0,0,0,0|3,0,0]=4 825 B11R0.337 CN(C)CC(=O)NCC(C)(C)F 527a_100020643315_100000750896 [0,1,0,0,0,0|3,0,0]=4 826 B11R0.337 CN(C)CC(=O)NCC(C)(C)O 240690a_100000751335_100000750896 [0,1,0,0,0,0|3,0,0]=4 827 B11R0.337 CN(C)CC(=O)NCC(C)(C)O 527a_100000751335_100000750896 [0,1,0,0,0,0|3,0,0]=4 828 B11R0.337 CN(C)CC(=O)OCC(C)(C)C 2230a_100102631434_200010402935 [0,1,0,0,0,0|2,0,0]=3 829 B11R0.337 CN(C)CC(=O)OCC(C)(C)C 269982a_100102631434_200010402935 [0,1,0,0,0,0|2,0,0]=3 830 B11R0.337 C[C@@H](O)CC(=O)CCC(C)(C)C 1458a_100011933948_100000755188 [0,1,0,0,0,0|1,0,2]=4 831 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(C)C 240690a_100000743828_100011933948 [0,1,0,0,0,0|1,0,2]=4 832 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(C)F 240690a_100020643315_100011933948 [0,1,0,0,0,0|1,0,2]=4 833 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(C)O 240690a_100000751335_100011933948 [0,1,0,0,0,0|1,0,2]=4 834 B11R0.337 C[N+](C)(C)CCC(=O)CC(=O)N 1458a_100134613110_100000085578 [0,1,0,0,0,0|3,0,0]=4 835 B11R0.337 C[S+](C)CC(=O)CCC(C)(C)C 1458a_200159257847_100000755188 [0,1,0,0,0,0|3,0,0]=4 836 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)C 11a_100000743828_200159257847 [0,1,0,0,0,0|3,0,0]=4 837 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)C 1626a_100000743828_200159257847 [0,1,0,0,0,0|3,0,0]=4 838 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)C 240690a_100000743828_200159257847 [0,1,0,0,0,0|3,0,0]=4 839 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)C 527a_100000743828_200159257847 [0,1,0,0,0,0|3,0,0]=4 840 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)F 11a_100020643315_200159257847 [0,1,0,0,0,0|3,0,0]=4 841 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)F 1626a_100020643315_200159257847 [0,1,0,0,0,0|3,0,0]=4 842 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)F 240690a_100020643315_200159257847 [0,1,0,0,0,0|3,0,0]=4 843 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)F 527a_100020643315_200159257847 [0,1,0,0,0,0|3,0,0]=4 844 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)O 1626a_100000751335_200159257847 [0,1,0,0,0,0|3,0,0]=4 845 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)O 240690a_100000751335_200159257847 [0,1,0,0,0,0|3,0,0]=4 846 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)O 527a_100000751335_200159257847 [0,1,0,0,0,0|3,0,0]=4 847 B11R0.337 C[Si](C)(C)CCC(=O)CC(=O)N 1458a_100011215282_100000187820 [0,1,0,0,0,0|2,1,0]=4 848 B11R0.337 C[Si](C)(C)CCC(=O)CC(=O)N 1458a_100134613110_200000733723 [0,1,0,0,0,0|2,1,0]=4 849 B11R0.337 C[Si](C)(C)CCC(=O)CC(=O)[O-] 1458a_100011215282_100020667443 [0,1,0,0,0,0|2,1,0]=4 850 B11R0.337 C[Si](C)(C)CNC(=O)CC(=O)N 240690a_102516607284_100134613110 [0,1,0,0,0,0|2,1,0]=4 851 B11R0.337 C[Si](C)(C)CNC(=O)CC(=O)N 527a_102516607284_100134613110 [0,1,0,0,0,0|2,1,0]=4 852 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,0,0,1,0,0|2,0,1]=4 853 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,0,0,1,0,0|2,0,1]=4 854 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,0,0,1,0,0|3,0,0]=4 855 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,0,0,1,0,0|2,0,1]=4 856 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,0,0,1,0,0|2,0,1]=4 857 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,0,0,1,0,0|3,0,0]=4 858 B11R1.75 CC(C)COC1CCC(=O)C1 34a_100012614533_100000210624 [0,0,0,1,0,0|1,0,1]=3 859 B11R1.75 CC(C)COC1CNC(=O)C1 34a_100000690082_100000210624 [0,0,0,1,0,0|2,0,1]=4 860 B11R1.75 CC(O)COC1CCC(=O)C1 34a_100012614533_100011218427 [0,0,0,1,0,0|2,0,1]=4 861 B11R1.75 C[C@@H](O)COC1CCC(=O)C1 34a_100012614533_100009817552 [0,0,0,1,0,0|2,0,1]=4 862 B11R1.103 CC(C)CCC(=O)C1CC1C 1458a_100000211227_100000210312 [0,0,0,1,0,0|2,0,1]=4 863 B11R1.103 CC(C)CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210312 [0,0,0,1,0,0|2,0,1]=4 864 B11R1.103 CC(C)CNC(=O)C1CC1C 11a_100000210953_100000211227 [0,0,0,1,0,0|2,0,1]=4 865 B11R1.103 CC(C)CNC(=O)C1CC1C 1626a_100000210953_100000211227 [0,0,0,1,0,0|2,0,1]=4 866 B11R1.103 CC(C)CNC(=O)C1CC1C 527a_100000210953_100000211227 [0,0,0,1,0,0|2,0,1]=4 867 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@@H]1F 11a_100000210953_100015396687 [0,0,0,1,0,0|2,0,1]=4 868 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210953_100015396687 [0,0,0,1,0,0|2,0,1]=4 869 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@@H]1F 527a_100000210953_100015396687 [0,0,0,1,0,0|2,0,1]=4 870 B11R1.106 NC(=O)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100134613110 [0,0,0,1,0,0|3,0,0]=4 871 B11R1.106 NC(=O)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100134613110 [0,0,0,1,0,0|3,0,0]=4 872 B11R1.106 NC(=O)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100134613110 [0,0,0,1,0,0|3,0,0]=4 873 B11R1.106 NC(=O)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100134613110 [0,0,0,1,0,0|3,0,0]=4 874 B11R1.152 C=C(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000748629 [0,0,0,1,0,0|2,0,0]=3 875 B11R1.152 C=C(C)CC(=O)C1CC(C1)F 1458a_100000062598_100000748629 [0,0,0,1,0,0|3,0,0]=4 876 B11R1.152 C=C(C)CC(=O)C1CN(C1)C 1458a_100012002723_100000748629 [0,0,0,1,0,0|3,0,0]=4 877 B11R1.152 C=C(C)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000748629 [0,0,0,1,0,0|3,0,0]=4 878 B11R1.152 C=C(F)CC(=O)C1CC(C1)C 1458a_100000686124_100009893438 [0,0,0,1,0,0|2,0,1]=4 879 B11R1.152 CC(=CC(=O)N1CC(C1)C)C 11a_100000702820_100000211388 [0,0,0,1,0,0|2,0,1]=4 880 B11R1.152 CC(=CC(=O)N1CC(C1)C)C 240690a_100000702820_100000211388 [0,0,0,1,0,0|2,0,1]=4 881 B11R1.152 CC(=CC(=O)N1CC(C1)C)Cl 11a_100000702820_200042562850 [0,0,0,1,0,0|2,0,1]=4 882 B11R1.152 CC(=CC(=O)N1CC(C1)C)Cl 240690a_100000702820_200042562850 [0,0,0,1,0,0|2,0,1]=4 883 B11R1.152 CC(=CC(=O)N1CC(C1)C)I 11a_100000702820_100025716642 [0,0,0,1,0,0|2,0,1]=4 884 B11R1.152 CC(=O)CC(=O)N1CC(C1)O 1458a_100000070787_100013143841 [0,0,0,1,0,0|2,0,0]=3 885 B11R1.152 CC(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000210624 [0,0,0,1,0,0|2,0,1]=4 886 B11R1.152 CC(C)CC(=O)N1CC(C1)C 11a_100000702820_100000210554 [0,0,0,1,0,0|2,0,1]=4 887 B11R1.152 CC(C)CC(=O)N1CC(C1)C 240690a_100000702820_100000210554 [0,0,0,1,0,0|2,0,1]=4 888 B11R1.152 CC(C)CC(=O)N1CC(C1)C 527a_100000702820_100000210554 [0,0,0,1,0,0|2,0,1]=4 889 B11R1.152 CC(O)CC(=O)C1CC(C1)C 1458a_100000686124_100011218427 [0,0,0,1,0,0|1,0,2]=4 890 B11R1.152 CC1CC(C1)C(=O)CC(=O)N 1458a_100000686124_100000187820 [0,0,0,1,0,0|2,0,0]=3 891 B11R1.152 CC1CC(C1)C(=O)CC(=O)[O-] 1458a_100000686124_100020667443 [0,0,0,1,0,0|2,0,0]=3 892 B11R1.152 CC1CC(C1)C(=O)C[N+](=O)[O-] 1458a_100000686124_100000761209 [0,0,0,1,0,0|3,0,0]=4 893 B11R1.152 CC1CN(C1)C(=O)CC(=O)N 240690a_100000702820_100134613110 [0,0,0,1,0,0|2,0,0]=3 894 B11R1.152 CC1CN(C1)C(=O)CC(=O)N 527a_100000702820_100134613110 [0,0,0,1,0,0|2,0,0]=3 895 B11R1.152 CC1CN(C1)C(=O)CN(C)C 11a_100000702820_100000750896 [0,0,0,1,0,0|3,0,0]=4 896 B11R1.152 CC1CN(C1)C(=O)CN(C)C 240690a_100000702820_100000750896 [0,0,0,1,0,0|3,0,0]=4 897 B11R1.152 CC1CN(C1)C(=O)CN(C)C 527a_100000702820_100000750896 [0,0,0,1,0,0|3,0,0]=4 898 B11R1.152 CC1CN(C1)C(=O)C[C@@H](C)O 240690a_100000702820_100011933948 [0,0,0,1,0,0|1,0,2]=4 899 B11R1.152 CC1CN(C1)C(=O)C[S+](C)C 11a_100000702820_200159257847 [0,0,0,1,0,0|3,0,0]=4 900 B11R1.152 CC1CN(C1)C(=O)C[S+](C)C 240690a_100000702820_200159257847 [0,0,0,1,0,0|3,0,0]=4 901 B11R1.152 CC1CN(C1)C(=O)C[S+](C)C 527a_100000702820_200159257847 [0,0,0,1,0,0|3,0,0]=4 902 B11R1.152 CN1CC(C1)C(=O)CC(=O)N 1458a_100012002723_100000187820 [0,0,0,1,0,0|3,0,0]=4 903 B11R1.152 CN1CC(C1)C(=O)CC(=O)[O-] 1458a_100012002723_100020667443 [0,0,0,1,0,0|3,0,0]=4 904 B11R1.152 NC(=O)CC(=O)C1CC(C1)F 1458a_100000062598_100000187820 [0,0,0,1,0,0|3,0,0]=4 905 B11R1.152 NC(=O)CC(=O)N1CC(C1)F 240690a_100000690557_100134613110 [0,0,0,1,0,0|3,0,0]=4 906 B11R1.152 NC(=O)CC(=O)N1CC(C1)F 527a_100000690557_100134613110 [0,0,0,1,0,0|3,0,0]=4 907 B11R1.152 NC(=O)CC(=O)N1CC(C1)O 240690a_100000749847_100134613110 [0,0,0,1,0,0|3,0,0]=4 908 B11R1.152 NC(=O)CC(=O)N1CC(C1)O 527a_100000749847_100134613110 [0,0,0,1,0,0|3,0,0]=4 909 B11R1.152 NC(=O)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000187820 [0,0,0,1,0,0|3,0,0]=4 910 B11R1.152 O=C([O-])CC(=O)C1CC(C1)F 1458a_100000062598_100020667443 [0,0,0,1,0,0|3,0,0]=4 911 B11R1.152 O=C([O-])CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100020667443 [0,0,0,1,0,0|3,0,0]=4 912 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000181311_100000742324 [0,0,0,1,0,0|2,0,1]=4 913 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000738066_100000210312 [0,0,0,1,0,0|2,0,1]=4 914 B11R1.348 CC(C)CCC(=O)CC1CO1 1458a_100000181311_100011216344 [0,0,0,1,0,0|1,0,2]=4 915 B11R1.348 CC(C)CCC(=O)CC1CS1 1458a_100000181311_100000031435 [0,0,0,1,0,0|1,1,1]=4 916 B11R1.348 CC(C)CCC(=O)C[C@@H]1CO1 1458a_100000181311_100000745022 [0,0,0,1,0,0|1,0,2]=4 917 B11R1.348 CC(C)CNC(=O)CC1CC1 11a_100000210953_100000738066 [0,0,0,1,0,0|2,0,1]=4 918 B11R1.348 CC(C)CNC(=O)CC1CC1 1626a_100000210953_100000738066 [0,0,0,1,0,0|2,0,1]=4 919 B11R1.348 CC(C)CNC(=O)CC1CC1 240690a_100000210953_100000738066 [0,0,0,1,0,0|2,0,1]=4 920 B11R1.348 CC(C)CNC(=O)CC1CC1 527a_100000210953_100000738066 [0,0,0,1,0,0|2,0,1]=4 921 B11R1.485 C=C(C)CC(=O)C=CC1CC1 1458a_100102529529_100000748629 [0,0,0,1,0,0|2,0,1]=4 922 B11R1.485 C=C(C)CC(=O)CCC1CC1 1458a_100000756386_100000748629 [0,0,0,1,0,0|2,0,0]=3 923 B11R1.485 C=C(F)CC(=O)CCC1CC1 1458a_100000756386_100009893438 [0,0,0,1,0,0|2,0,1]=4 924 B11R1.485 CC(=CC(=O)CCC1CC1)C 1458a_100000211388_100000694398 [0,0,0,1,0,0|2,0,1]=4 925 B11R1.485 CC(=CC(=O)CCC1CC1)Cl 1458a_200042562850_100000694398 [0,0,0,1,0,0|2,0,1]=4 926 B11R1.485 CC(=CC(=O)CCC1CC1)I 1458a_100025716642_100000694398 [0,0,0,1,0,0|2,0,1]=4 927 B11R1.485 CC(=CC(=O)NCC1CC1)C 11a_100000735609_100000211388 [0,0,0,1,0,0|2,0,1]=4 928 B11R1.485 CC(=CC(=O)NCC1CC1)C 1626a_100000735609_100000211388 [0,0,0,1,0,0|2,0,1]=4 929 B11R1.485 CC(=CC(=O)NCC1CC1)C 240690a_100000735609_100000211388 [0,0,0,1,0,0|2,0,1]=4 930 B11R1.485 CC(=CC(=O)NCC1CC1)Cl 11a_100000735609_200042562850 [0,0,0,1,0,0|2,0,1]=4 931 B11R1.485 CC(=CC(=O)NCC1CC1)Cl 1626a_100000735609_200042562850 [0,0,0,1,0,0|2,0,1]=4 932 B11R1.485 CC(=CC(=O)NCC1CC1)Cl 240690a_100000735609_200042562850 [0,0,0,1,0,0|2,0,1]=4 933 B11R1.485 CC(=CC(=O)NCC1CC1)I 11a_100000735609_100025716642 [0,0,0,1,0,0|2,0,1]=4 934 B11R1.485 CC(=CC(=O)NCC1CC1)I 1626a_100000735609_100025716642 [0,0,0,1,0,0|2,0,1]=4 935 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000210554_100000694398 [0,0,0,1,0,0|2,0,1]=4 936 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000756386_100000210624 [0,0,0,1,0,0|2,0,1]=4 937 B11R1.485 CC(C)CC(=O)NCC1CC1 11a_100000735609_100000210554 [0,0,0,1,0,0|2,0,1]=4 938 B11R1.485 CC(C)CC(=O)NCC1CC1 1626a_100000735609_100000210554 [0,0,0,1,0,0|2,0,1]=4 939 B11R1.485 CC(C)CC(=O)NCC1CC1 240690a_100000735609_100000210554 [0,0,0,1,0,0|2,0,1]=4 940 B11R1.485 CC(C)CC(=O)NCC1CC1 527a_100000735609_100000210554 [0,0,0,1,0,0|2,0,1]=4 941 B11R1.485 CC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218427 [0,0,0,1,0,0|1,0,2]=4 942 B11R1.485 CN(C)CC(=O)CCC1CC1 1458a_100000750896_100000694398 [0,0,0,1,0,0|3,0,0]=4 943 B11R1.485 CN(C)CC(=O)NCC1CC1 11a_100000735609_100000750896 [0,0,0,1,0,0|3,0,0]=4 944 B11R1.485 CN(C)CC(=O)NCC1CC1 240690a_100000735609_100000750896 [0,0,0,1,0,0|3,0,0]=4 945 B11R1.485 CN(C)CC(=O)NCC1CC1 527a_100000735609_100000750896 [0,0,0,1,0,0|3,0,0]=4 946 B11R1.485 C[C@@H](O)CC(=O)CCC1CC1 1458a_100011933948_100000694398 [0,0,0,1,0,0|1,0,2]=4 947 B11R1.485 C[C@@H](O)CC(=O)NCC1CC1 240690a_100000735609_100011933948 [0,0,0,1,0,0|1,0,2]=4 948 B11R1.485 C[S+](C)CC(=O)CCC1CC1 1458a_200159257847_100000694398 [0,0,0,1,0,0|3,0,0]=4 949 B11R1.485 C[S+](C)CC(=O)NCC1CC1 11a_100000735609_200159257847 [0,0,0,1,0,0|3,0,0]=4 950 B11R1.485 C[S+](C)CC(=O)NCC1CC1 1626a_100000735609_200159257847 [0,0,0,1,0,0|3,0,0]=4 951 B11R1.485 C[S+](C)CC(=O)NCC1CC1 240690a_100000735609_200159257847 [0,0,0,1,0,0|3,0,0]=4 952 B11R1.485 C[S+](C)CC(=O)NCC1CC1 527a_100000735609_200159257847 [0,0,0,1,0,0|3,0,0]=4 953 B11R1.485 NC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000187820 [0,0,0,1,0,0|2,0,1]=4 954 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000187820 [0,0,0,1,0,0|2,0,0]=3 955 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100134613110_100000694398 [0,0,0,1,0,0|2,0,0]=3 956 B11R1.485 NC(=O)CC(=O)CCC1CO1 1458a_100134613110_100000732470 [0,0,0,1,0,0|3,0,0]=4 957 B11R1.485 NC(=O)CC(=O)NCC1CC1 240690a_100000735609_100134613110 [0,0,0,1,0,0|2,0,0]=3 958 B11R1.485 NC(=O)CC(=O)NCC1CC1 527a_100000735609_100134613110 [0,0,0,1,0,0|2,0,0]=3 959 B11R1.485 NC(=O)CC(=O)NNC1CC1 22a_100000701032_100134613110 [0,0,0,1,0,0|3,0,0]=4 960 B11R1.485 O=C(CCC1CC1)C[N+](=O)[O-] 1458a_100000756386_100000761209 [0,0,0,1,0,0|3,0,0]=4 961 B11R1.485 O=C([O-])CC(=O)C=CC1CC1 1458a_100102529529_100020667443 [0,0,0,1,0,0|2,0,1]=4 962 B11R1.485 O=C([O-])CC(=O)CCC1CC1 1458a_100000756386_100020667443 [0,0,0,1,0,0|2,0,0]=3 963 B11R1.645 CC(C)NC1CC(=O)NC1=O 2230a_100102712934_100000210206 [0,0,0,1,0,0|3,0,0]=4 964 B11R1.1263 C=C(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000748629 [0,0,0,1,0,0|2,0,0]=3 965 B11R1.1263 C=C(F)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100009893438 [0,0,0,1,0,0|2,0,1]=4 966 B11R1.1263 CC(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210624 [0,0,0,1,0,0|2,0,1]=4 967 B11R1.1263 CC(O)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011218427 [0,0,0,1,0,0|1,0,2]=4 968 B11R1.1263 CC1(C[C@@H]1C(=O)CC(=O)N)C 1458a_100000692687_100000187820 [0,0,0,1,0,0|2,0,0]=3 969 B11R1.1263 CC1(C[C@@H]1C(=O)CC(=O)[O-])C 1458a_100000692687_100020667443 [0,0,0,1,0,0|2,0,0]=3 970 B11R1.1263 CC1(C[C@@H]1C(=O)C[N+](=O)[O-])C 1458a_100000692687_100000761209 [0,0,0,1,0,0|3,0,0]=4 971 B9R0.7 C=C(Br)C(=O)NCC(C)C 11a_100000210953_100009813364 [0,0,0,0,1,0|2,0,1]=4 972 B9R0.7 C=C(Br)C(=O)NCC(C)C 1626a_100000210953_100009813364 [0,0,0,0,1,0|2,0,1]=4 973 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,0,0,0,1,0|2,0,0]=3 974 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,0,0,0,1,0|3,0,0]=4 975 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,0,0,0,1,0|2,0,0]=3 976 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,0,0,0,1,0|2,0,0]=3 977 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,0,0,0,1,0|3,0,0]=4 978 B9R0.7 C=C(C)C(=O)NNC(C)C 22a_100000741168_100000185857 [0,0,0,0,1,0|3,0,0]=4 979 B9R0.7 C=C(Cl)C(=O)NCC(C)C 11a_100000210953_100000039160 [0,0,0,0,1,0|2,0,1]=4 980 B9R0.7 C=C(Cl)C(=O)NCC(C)C 1626a_100000210953_100000039160 [0,0,0,0,1,0|2,0,1]=4 981 B9R0.7 C=C(F)C(=O)NCC(C)C 11a_100000210953_100000036797 [0,0,0,0,1,0|2,0,1]=4 982 B9R0.7 C=C(F)C(=O)NCC(C)C 1626a_100000210953_100000036797 [0,0,0,0,1,0|2,0,1]=4 983 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,0,0,0,1,0|2,0,0]=3 984 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,0,0,0,1,0|2,0,0]=3 985 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,0,0,0,1,0|2,0,0]=3 986 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,0,0,0,1,0|2,0,0]=3 987 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,0,0,0,1,0|1,0,0]=2 988 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,1,0|2,0,1]=4 989 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,0,0,0,1,0|2,0,1]=4 990 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,0,0,0,1,0|1,0,1]=3 991 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,0,0,0,1,0|2,0,1]=4 992 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,0,0,0,1,0|2,0,1]=4 993 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,0,0,0,1,0|1,1,1]=4 994 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,0,0,0,1,0|1,1,1]=4 995 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,0,0,0,1,0|3,0,0]=4 996 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,0,0,0,1,0|3,0,0]=4 997 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,0,0,0,1,0|3,0,0]=4 998 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,0,0,0,1,0|3,0,0]=4 999 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,0,0,0,1,0|2,0,1]=4 1000 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,0,0,0,1,0|2,0,1]=4 1001 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,0,0,0,1,0|2,0,1]=4 1002 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,0,0,0,1,0|3,0,0]=4 1003 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,0,0,0,1,0|3,0,0]=4 1004 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,0,0,0,1,0|3,0,0]=4 1005 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,0,0,0,1,0|3,0,0]=4 1006 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,0,0,0,1,0|1,0,2]=4 1007 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,0,0,0,1,0|1,0,2]=4 1008 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,0,0,0,1,0|2,0,0]=3 1009 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,0,0,0,1,0|1,0,0]=2 1010 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,0,0,0,1,0|2,0,1]=4 1011 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,0,0,0,1,0|2,0,1]=4 1012 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,0,0,0,1,0|2,0,1]=4 1013 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,0,0,0,1,0|2,0,1]=4 1014 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [0,0,0,0,1,0|2,0,1]=4 1015 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [0,0,0,0,1,0|2,0,1]=4 1016 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [0,0,0,0,1,0|2,0,1]=4 1017 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [0,0,0,0,1,0|2,0,1]=4 1018 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [0,0,0,0,1,0|3,0,0]=4 1019 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,0,0,0,1,0|1,0,2]=4 1020 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,0,0,0,1,0|1,0,2]=4 1021 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,0,0,0,1,0|1,0,2]=4 1022 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,0,0,0,1,0|2,0,1]=4 1023 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,0,0,0,1,0|2,0,1]=4 1024 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,0,0,0,1,0|2,0,1]=4 1025 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,0,0,0,1,0|2,0,1]=4 1026 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,0,0,0,1,0|2,0,1]=4 1027 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,0,0,0,1,0|2,0,1]=4 1028 B9R0.7 CC(C)NNC(=O)C(=O)N 22a_100000741168_100011215815 [0,0,0,0,1,0|3,0,0]=4 1029 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,0,0,0,1,0|3,0,0]=4 1030 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,0,0,0,1,0|1,0,2]=4 1031 B9R0.53 C=C(C)CC(=O)CC(=O)N 1458a_100134613110_100000748629 [0,0,0,0,1,0|1,0,2]=4 1032 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,0,0,0,1,0|1,0,0]=2 1033 B9R0.53 C=C(C)CC(=O)CN(C)C 1458a_100000750896_100000748629 [0,0,0,0,1,0|2,0,0]=3 1034 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,0,0,0,1,0|2,0,0]=3 1035 B9R0.53 C=C(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748629 [0,0,0,0,1,0|2,0,0]=3 1036 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000225649_100000210760 [0,0,0,0,1,0|3,0,0]=4 1037 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000747067_100000748629 [0,0,0,0,1,0|3,0,0]=4 1038 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000225649_100000210624 [0,0,0,0,1,0|3,0,0]=4 1039 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000747067_100000748629 [0,0,0,0,1,0|3,0,0]=4 1040 B9R0.53 C=C(C)CN(C)CC(C)C 270004a_100000225649_100000210432 [0,0,0,0,1,0|3,0,0]=4 1041 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,0,0,0,1,0|1,0,1]=3 1042 B9R0.53 C=C(F)CC(=O)CN(C)C 1458a_100000750896_100009893438 [0,0,0,0,1,0|2,0,1]=4 1043 B9R0.53 C=C(F)CC(=O)C[C@@H](C)O 1458a_100011933948_100009893438 [0,0,0,0,1,0|2,0,1]=4 1044 B9R0.53 C=C(F)CC(=O)C[S+](C)C 1458a_200159257847_100009893438 [0,0,0,0,1,0|2,0,1]=4 1045 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,0,0,0,1,0|1,0,2]=4 1046 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,0,0,0,1,0|1,0,2]=4 1047 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,0,0,0,1,0|1,0,1]=3 1048 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,0,0,0,1,0|1,0,1]=3 1049 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,0,0,0,1,0|1,0,1]=3 1050 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,0,0,0,1,0|2,0,1]=4 1051 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,0,0,0,1,0|2,0,1]=4 1052 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,0,0,0,1,0|2,0,1]=4 1053 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,0,0,0,1,0|2,0,1]=4 1054 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,0,0,0,1,0|2,0,1]=4 1055 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,0,0,0,1,0|2,0,1]=4 1056 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,0,0,0,1,0|2,0,1]=4 1057 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,0,0,0,1,0|2,0,1]=4 1058 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,0,0,0,1,0|2,0,1]=4 1059 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,0,0,0,1,0|2,0,1]=4 1060 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,0,0,0,1,0|2,0,1]=4 1061 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,0,0,0,1,0|2,0,1]=4 1062 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,0,0,0,1,0|1,0,0]=2 1063 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,0,0,0,1,0|0,0,0]=1 1064 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,0,0,0,1,0|2,0,0]=3 1065 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,0,0,0,1,0|2,0,1]=4 1066 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,0,0,0,1,0|2,0,1]=4 1067 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,0,0,0,1,0|2,0,1]=4 1068 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,0,0,0,1,0|2,0,1]=4 1069 B9R0.53 CC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210624 [0,0,0,0,1,0|2,0,1]=4 1070 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,0,0,0,1,0|1,0,0]=2 1071 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,0,0,0,1,0|1,0,0]=2 1072 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,0,0,0,1,0|1,0,0]=2 1073 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,0,0,0,1,0|1,0,1]=3 1074 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,0,0,0,1,0|0,0,2]=3 1075 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [0,0,0,0,1,0|2,0,1]=4 1076 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,0,0,0,1,0|2,0,0]=3 1077 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,0,0,0,1,0|0,0,2]=3 1078 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,0,0,0,1,0|2,0,0]=3 1079 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,0,0,0,1,0|2,0,0]=3 1080 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,0,0,0,1,0|2,0,1]=4 1081 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,0,0,0,1,0|2,0,1]=4 1082 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,0,0,0,1,0|2,0,1]=4 1083 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,0,0,0,1,0|2,0,1]=4 1084 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,0,0,0,1,0|3,0,0]=4 1085 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,0,0,0,1,0|3,0,0]=4 1086 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,0,0,0,1,0|3,0,0]=4 1087 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,0,0,0,1,0|3,0,0]=4 1088 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,0,0,0,1,0|3,0,0]=4 1089 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,0,0,0,1,0|3,0,0]=4 1090 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,0,0,0,1,0|2,0,0]=3 1091 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,0,0,0,1,0|2,0,0]=3 1092 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [0,0,0,0,1,0|3,0,0]=4 1093 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [0,0,0,0,1,0|3,0,0]=4 1094 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [0,0,0,0,1,0|3,0,0]=4 1095 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [0,0,0,0,1,0|3,0,0]=4 1096 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [0,0,0,0,1,0|3,0,0]=4 1097 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [0,0,0,0,1,0|3,0,0]=4 1098 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [0,0,0,0,1,0|3,0,0]=4 1099 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [0,0,0,0,1,0|3,0,0]=4 1100 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [0,0,0,0,1,0|3,0,0]=4 1101 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,0,0,0,1,0|1,0,2]=4 1102 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [0,0,0,0,1,0|3,0,0]=4 1103 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [0,0,0,0,1,0|3,0,0]=4 1104 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [0,0,0,0,1,0|3,0,0]=4 1105 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [0,0,0,0,1,0|3,0,0]=4 1106 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,0,0,0,1,0|2,0,0]=3 1107 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,0,0,0,1,0|2,0,0]=3 1108 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,0,0,0,1,0|2,0,0]=3 1109 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,0,0,0,1,0|1,0,2]=4 1110 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,0,0,0,1,0|1,0,2]=4 1111 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,0,0,0,1,0|1,0,2]=4 1112 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,0,0,0,1,0|2,0,0]=3 1113 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,0,0,0,1,0|2,0,0]=3 1114 B9R0.53 CN(C)CC(=O)C[N+](=O)[O-] 1458a_100000750896_100000761209 [0,0,0,0,1,0|3,0,0]=4 1115 B9R0.53 CN(C)CC(=O)NC(=O)N 2230a_100102631434_100000182717 [0,0,0,0,1,0|3,0,0]=4 1116 B9R0.53 CN(C)CC(=O)NC(=O)N 269982a_100102631434_100000182717 [0,0,0,0,1,0|3,0,0]=4 1117 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,0,0,0,1,0|2,0,0]=3 1118 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,0,0,0,1,0|2,0,0]=3 1119 B9R0.53 C[C@@H](O)CC(=O)C[N+](=O)[O-] 1458a_100011933948_100000761209 [0,0,0,0,1,0|3,0,0]=4 1120 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,0,0,0,1,0|2,0,0]=3 1121 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,0,0,0,1,0|2,0,0]=3 1122 B9R0.53 C[S+](C)CC(=O)C[N+](=O)[O-] 1458a_200159257847_100000761209 [0,0,0,0,1,0|3,0,0]=4 1123 B9R0.53 NC(=O)CC(=O)CC(F)F 1458a_100134613110_100011934356 [0,0,0,0,1,0|3,0,0]=4 1124 B11R0.6 C=C(C)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000748629 [0,0,0,0,0,1|2,0,1]=4 1125 B11R0.6 C=C(C)CC(=O)C=CCN(C)C 1458a_100000754359_100000748629 [0,0,0,0,0,1|3,0,0]=4 1126 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,0,0,0,0,1|2,0,0]=3 1127 B11R0.6 C=C(C)CC(=O)COCC(C)C 1458a_100011223364_100000748629 [0,0,0,0,0,1|1,0,0]=2 1128 B11R0.6 C=C(F)CC(=O)CCCC(C)C 1458a_100011216857_100009893438 [0,0,0,0,0,1|2,0,1]=4 1129 B11R0.6 C=C(F)CC(=O)COCC(C)C 1458a_100011223364_100009893438 [0,0,0,0,0,1|1,0,1]=3 1130 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,0,0,0,0,1|2,0,1]=4 1131 B11R0.6 CC(=CC(=O)CCCC(C)C)Cl 1458a_200042562850_100011214892 [0,0,0,0,0,1|2,0,1]=4 1132 B11R0.6 CC(=CC(=O)CCCC(C)C)I 1458a_100025716642_100011214892 [0,0,0,0,0,1|2,0,1]=4 1133 B11R0.6 CC(=CC(=O)CCOC(C)C)C 1458a_100000211388_100000211751 [0,0,0,0,0,1|2,0,1]=4 1134 B11R0.6 CC(=CC(=O)CCOC(C)C)Cl 1458a_200042562850_100000211751 [0,0,0,0,0,1|2,0,1]=4 1135 B11R0.6 CC(=CC(=O)CCOC(C)C)I 1458a_100025716642_100000211751 [0,0,0,0,0,1|2,0,1]=4 1136 B11R0.6 CC(=CC(=O)CCSC(C)C)C 1458a_100000211388_100000730970 [0,0,0,0,0,1|2,0,1]=4 1137 B11R0.6 CC(=CC(=O)CCSC(C)C)Cl 1458a_200042562850_100000730970 [0,0,0,0,0,1|2,0,1]=4 1138 B11R0.6 CC(=CC(=O)CCSC(C)C)I 1458a_100025716642_100000730970 [0,0,0,0,0,1|2,0,1]=4 1139 B11R0.6 CC(=CC(=O)NCCC(C)C)C 11a_100000210545_100000211388 [0,0,0,0,0,1|2,0,1]=4 1140 B11R0.6 CC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100000211388 [0,0,0,0,0,1|2,0,1]=4 1141 B11R0.6 CC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100000211388 [0,0,0,0,0,1|2,0,1]=4 1142 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 11a_100000210545_200042562850 [0,0,0,0,0,1|2,0,1]=4 1143 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 1626a_100000210545_200042562850 [0,0,0,0,0,1|2,0,1]=4 1144 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 240690a_100000210545_200042562850 [0,0,0,0,0,1|2,0,1]=4 1145 B11R0.6 CC(=CC(=O)NCCC(C)C)I 11a_100000210545_100025716642 [0,0,0,0,0,1|2,0,1]=4 1146 B11R0.6 CC(=CC(=O)NCCC(C)C)I 1626a_100000210545_100025716642 [0,0,0,0,0,1|2,0,1]=4 1147 B11R0.6 CC(=CC(=O)NNCC(C)C)C 22a_100000696102_100000211388 [0,0,0,0,0,1|2,0,1]=4 1148 B11R0.6 CC(=CC(=O)NNCC(C)C)Cl 22a_100000696102_200042562850 [0,0,0,0,0,1|2,0,1]=4 1149 B11R0.6 CC(=CCCC(=O)CC(=O)N)C 1458a_100134613110_100011217483 [0,0,0,0,0,1|2,0,1]=4 1150 B11R0.6 CC(=CCNC(=O)CC(=O)N)C 527a_100000718196_100134613110 [0,0,0,0,0,1|2,0,1]=4 1151 B11R0.6 CC(=O)CC(=O)OCCN(C)C 269982a_100102631434_100000102702 [0,0,0,0,0,1|1,0,0]=2 1152 B11R0.6 CC(=O)CCOC(=O)CC(=O)C 1458a_100000070787_100000102702 [0,0,0,0,0,1|1,0,1]=3 1153 B11R0.6 CC(=O)NC(=O)CSCC(C)C 62a_100000210624_100000183797 [0,0,0,0,0,1|1,1,0]=3 1154 B11R0.6 CC(=O)NC(=O)CSCC(C)O 62a_100011218427_100000183797 [0,0,0,0,0,1|2,1,0]=4 1155 B11R0.6 CC(=O)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000183797 [0,0,0,0,0,1|2,1,0]=4 1156 B11R0.6 CC(C)/C=C/CC(=O)CC(=O)N 1458a_100016292215_100000187820 [0,0,0,0,0,1|2,0,1]=4 1157 B11R0.6 CC(C)/C=C/CC(=O)CC(=O)[O-] 1458a_100016292215_100020667443 [0,0,0,0,0,1|2,0,1]=4 1158 B11R0.6 CC(C)CC(=O)CCOC(C)C 1458a_100000210554_100000211751 [0,0,0,0,0,1|2,0,1]=4 1159 B11R0.6 CC(C)CC(=O)CCSC(C)C 1458a_100000210554_100000730970 [0,0,0,0,0,1|2,0,1]=4 1160 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [0,0,0,0,0,1|2,0,0]=3 1161 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [0,0,0,0,0,1|2,0,0]=3 1162 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [0,0,0,0,0,1|2,0,0]=3 1163 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,0,0,0,0,1|2,0,1]=4 1164 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,0,0,0,0,1|2,0,1]=4 1165 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,0,0,0,0,1|1,0,2]=4 1166 B11R0.6 CC(C)CCCC(=O)CN(C)C 1458a_100000750896_100011214892 [0,0,0,0,0,1|3,0,0]=4 1167 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,0,0,0,0,1|1,0,2]=4 1168 B11R0.6 CC(C)CCCC(=O)C[N+](=O)[O-] 1458a_100011216857_100000761209 [0,0,0,0,0,1|3,0,0]=4 1169 B11R0.6 CC(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100011214892 [0,0,0,0,0,1|3,0,0]=4 1170 B11R0.6 CC(C)CCNC(=O)CC(=O)N 240690a_100000210545_100134613110 [0,0,0,0,0,1|2,0,0]=3 1171 B11R0.6 CC(C)CCNC(=O)CC(=O)N 527a_100000210545_100134613110 [0,0,0,0,0,1|2,0,0]=3 1172 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,0,0,0,0,1|2,0,1]=4 1173 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,0,0,0,0,1|2,0,1]=4 1174 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,0,0,0,0,1|2,0,1]=4 1175 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,0,0,0,0,1|2,0,1]=4 1176 B11R0.6 CC(C)CCNC(=O)CN(C)C 11a_100000210545_100000750896 [0,0,0,0,0,1|3,0,0]=4 1177 B11R0.6 CC(C)CCNC(=O)CN(C)C 240690a_100000210545_100000750896 [0,0,0,0,0,1|3,0,0]=4 1178 B11R0.6 CC(C)CCNC(=O)CN(C)C 527a_100000210545_100000750896 [0,0,0,0,0,1|3,0,0]=4 1179 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,0,0,0,0,1|1,0,2]=4 1180 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 11a_100000210545_200159257847 [0,0,0,0,0,1|3,0,0]=4 1181 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 1626a_100000210545_200159257847 [0,0,0,0,0,1|3,0,0]=4 1182 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 240690a_100000210545_200159257847 [0,0,0,0,0,1|3,0,0]=4 1183 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 527a_100000210545_200159257847 [0,0,0,0,0,1|3,0,0]=4 1184 B11R0.6 CC(C)CNCC(=O)NC(=O)N 2230a_100000210953_100000182717 [0,0,0,0,0,1|3,0,0]=4 1185 B11R0.6 CC(C)CNNC(=O)CC(=O)N 22a_100000696102_100134613110 [0,0,0,0,0,1|2,0,0]=3 1186 B11R0.6 CC(C)CNNC(=O)CC(C)C 22a_100000696102_100000210554 [0,0,0,0,0,1|2,0,1]=4 1187 B11R0.6 CC(C)CNNC(=O)CN(C)C 22a_100000696102_100000750896 [0,0,0,0,0,1|3,0,0]=4 1188 B11R0.6 CC(C)CNNC(=O)C[C@@H](C)O 22a_100000696102_100011933948 [0,0,0,0,0,1|1,0,2]=4 1189 B11R0.6 CC(C)CNNC(=O)C[S+](C)C 22a_100000696102_200159257847 [0,0,0,0,0,1|3,0,0]=4 1190 B11R0.6 CC(C)COCC(=O)CC(=O)N 1458a_100011223364_100000187820 [0,0,0,0,0,1|1,0,0]=2 1191 B11R0.6 CC(C)COCC(=O)CC(=O)[O-] 1458a_100011223364_100020667443 [0,0,0,0,0,1|1,0,0]=2 1192 B11R0.6 CC(C)COCC(=O)CC(C)C 1458a_100011223364_100000210624 [0,0,0,0,0,1|1,0,1]=3 1193 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,0,0,0,0,1|0,0,2]=3 1194 B11R0.6 CC(C)COCC(=O)CC(F)F 1458a_100011223364_100011934356 [0,0,0,0,0,1|2,0,1]=4 1195 B11R0.6 CC(C)COCC(=O)C[N+](=O)[O-] 1458a_100011223364_100000761209 [0,0,0,0,0,1|2,0,0]=3 1196 B11R0.6 CC(C)COCC(=O)NC(C)C 11a_100138425928_100011223364 [0,0,0,0,0,1|2,0,1]=4 1197 B11R0.6 CC(C)COCC(=O)NC(C)C 1626a_100138425928_100011223364 [0,0,0,0,0,1|2,0,1]=4 1198 B11R0.6 CC(C)COCC(=O)NC(C)C 240690a_100138425928_100011223364 [0,0,0,0,0,1|2,0,1]=4 1199 B11R0.6 CC(C)COCC(=O)NC(C)C 34a_100000210257_100000183996 [0,0,0,0,0,1|2,0,1]=4 1200 B11R0.6 CC(C)COCC(=O)NC(C)C 527a_100138425928_100011223364 [0,0,0,0,0,1|2,0,1]=4 1201 B11R0.6 CC(C)COCC(=O)OC(C)C 34a_100000210257_100011215430 [0,0,0,0,0,1|2,0,1]=4 1202 B11R0.6 CC(C)CSCC(=O)NC(=O)N 62a_100000210624_100000182717 [0,0,0,0,0,1|2,1,0]=4 1203 B11R0.6 CC(C)NCCC(=O)NC(=O)N 2230a_100138425928_100000237605 [0,0,0,0,0,1|3,0,0]=4 1204 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000003507_100000210206 [0,0,0,0,0,1|2,0,1]=4 1205 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000210206_100000003507 [0,0,0,0,0,1|2,0,1]=4 1206 B11R0.6 CC(C)OCCC(=O)CC(=O)N 1458a_100134613110_100000211751 [0,0,0,0,0,1|2,0,0]=3 1207 B11R0.6 CC(C)OCCC(=O)CN(C)C 1458a_100000750896_100000211751 [0,0,0,0,0,1|3,0,0]=4 1208 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,0,0,0,0,1|1,0,2]=4 1209 B11R0.6 CC(C)OCCC(=O)C[S+](C)C 1458a_200159257847_100000211751 [0,0,0,0,0,1|3,0,0]=4 1210 B11R0.6 CC(C)SCCC(=O)CC(=O)N 1458a_100134613110_100000730970 [0,0,0,0,0,1|2,0,0]=3 1211 B11R0.6 CC(C)SCCC(=O)CN(C)C 1458a_100000750896_100000730970 [0,0,0,0,0,1|3,0,0]=4 1212 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,0,0,0,0,1|1,0,2]=4 1213 B11R0.6 CC(C)SCCC(=O)C[S+](C)C 1458a_200159257847_100000730970 [0,0,0,0,0,1|3,0,0]=4 1214 B11R0.6 CC(C)SCCC(=O)NC(=O)N 62a_100000210206_100000237605 [0,0,0,0,0,1|3,0,0]=4 1215 B11R0.6 CC(O)CCCC(=O)CC(=O)N 1458a_100134613110_200000718107 [0,0,0,0,0,1|3,0,0]=4 1216 B11R0.6 CC(O)CCNC(=O)CC(=O)N 240690a_200000755665_100134613110 [0,0,0,0,0,1|3,0,0]=4 1217 B11R0.6 CC(O)CCNC(=O)CC(=O)N 527a_200000755665_100134613110 [0,0,0,0,0,1|3,0,0]=4 1218 B11R0.6 CC(O)CNNC(=O)CC(=O)N 22a_200000730056_100134613110 [0,0,0,0,0,1|3,0,0]=4 1219 B11R0.6 CN(C)CC=CC(=O)CC(=O)N 1458a_100000754359_100000187820 [0,0,0,0,0,1|3,0,0]=4 1220 B11R0.6 CN(C)CC=CC(=O)CC(=O)[O-] 1458a_100000754359_100020667443 [0,0,0,0,0,1|3,0,0]=4 1221 B11R0.6 CN(C)CCCC(=O)CC(=O)N 1458a_100134613110_100000695564 [0,0,0,0,0,1|3,0,0]=4 1222 B11R0.6 CN(C)CCNC(=O)CC(=O)N 240690a_100000210585_100134613110 [0,0,0,0,0,1|3,0,0]=4 1223 B11R0.6 CN(C)CCNC(=O)CC(=O)N 527a_100000210585_100134613110 [0,0,0,0,0,1|3,0,0]=4 1224 B11R0.6 CN(C)CCOC(=O)NC(=O)N 269982a_100102631434_100000054987 [0,0,0,0,0,1|3,0,0]=4 1225 B11R0.85 C=C(C)CCC(=O)C=CC(C)C 1458a_100016268746_100000730704 [0,0,0,0,0,1|2,0,1]=4 1226 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_100000181311_100000730704 [0,0,0,0,0,1|2,0,0]=3 1227 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_200000688413_100000210312 [0,0,0,0,0,1|2,0,0]=3 1228 B11R0.85 C=C(C)CCC(=O)CCC(C)O 1458a_200000688413_100012276601 [0,0,0,0,0,1|3,0,0]=4 1229 B11R0.85 C=C(C)CCC(=O)CC[S+](C)C 1458a_100009452791_100000730704 [0,0,0,0,0,1|3,0,0]=4 1230 B11R0.85 C=C(C)CCC(=O)CNC(=O)C 1458a_100000194580_100000730704 [0,0,0,0,0,1|1,0,2]=4 1231 B11R0.85 C=C(C)CCC(=O)COC(=O)C 1458a_100000183556_100000730704 [0,0,0,0,0,1|1,0,2]=4 1232 B11R0.85 C=C(C)CCC(=O)COC(C)C 1458a_100000745533_100000730704 [0,0,0,0,0,1|3,0,0]=4 1233 B11R0.85 C=C(C)CCC(=O)CSC(=O)C 1458a_100000049016_100000730704 [0,0,0,0,0,1|1,0,2]=4 1234 B11R0.85 C=C(C)CCC(=O)CSC(C)C 1458a_100000241585_100000730704 [0,0,0,0,0,1|3,0,0]=4 1235 B11R0.85 C=C(C)CCC(=O)NCC(C)C 11a_100000210953_200000688413 [0,0,0,0,0,1|2,0,0]=3 1236 B11R0.85 C=C(C)CCC(=O)NCC(C)C 1626a_100000210953_200000688413 [0,0,0,0,0,1|2,0,0]=3 1237 B11R0.85 C=C(C)CCC(=O)NCC(C)C 240690a_100000210953_200000688413 [0,0,0,0,0,1|2,0,0]=3 1238 B11R0.85 C=C(C)CCC(=O)NCC(C)C 527a_100000210953_200000688413 [0,0,0,0,0,1|2,0,0]=3 1239 B11R0.85 C=C(C)CCC(=O)NCC(C)O 11a_100000210904_200000688413 [0,0,0,0,0,1|3,0,0]=4 1240 B11R0.85 C=C(C)CCC(=O)NCC(C)O 240690a_100000210904_200000688413 [0,0,0,0,0,1|3,0,0]=4 1241 B11R0.85 C=C(C)CCC(=O)NCC(C)O 527a_100000210904_200000688413 [0,0,0,0,0,1|3,0,0]=4 1242 B11R0.85 C=C(C)CCC(=O)NNC(C)C 22a_100000741168_200000688413 [0,0,0,0,0,1|3,0,0]=4 1243 B11R0.85 C=C(C)CNC(=O)C=CC(C)C 11a_100000765925_100016268746 [0,0,0,0,0,1|2,0,1]=4 1244 B11R0.85 C=C(C)CNC(=O)C=CC(C)C 1626a_100000765925_100016268746 [0,0,0,0,0,1|2,0,1]=4 1245 B11R0.85 C=C(C)CNC(=O)C=CC(C)C 240690a_100000765925_100016268746 [0,0,0,0,0,1|2,0,1]=4 1246 B11R0.85 C=C(C)CNC(=O)CCC(C)C 11a_100000765925_100000181311 [0,0,0,0,0,1|2,0,0]=3 1247 B11R0.85 C=C(C)CNC(=O)CCC(C)C 1626a_100000765925_100000181311 [0,0,0,0,0,1|2,0,0]=3 1248 B11R0.85 C=C(C)CNC(=O)CCC(C)C 240690a_100000765925_100000181311 [0,0,0,0,0,1|2,0,0]=3 1249 B11R0.85 C=C(C)CNC(=O)CCC(C)C 527a_100000765925_100000181311 [0,0,0,0,0,1|2,0,0]=3 1250 B11R0.85 C=C(C)CNC(=O)CCC(C)O 1626a_100000765925_100000718519 [0,0,0,0,0,1|3,0,0]=4 1251 B11R0.85 C=C(C)CNC(=O)CCN(C)C 11a_100000765925_100000689311 [0,0,0,0,0,1|3,0,0]=4 1252 B11R0.85 C=C(C)CNC(=O)CCN(C)C 240690a_100000765925_100000689311 [0,0,0,0,0,1|3,0,0]=4 1253 B11R0.85 C=C(C)CNC(=O)CCN(C)C 527a_100000765925_100000689311 [0,0,0,0,0,1|3,0,0]=4 1254 B11R0.85 C=C(C)CNC(=O)CC[S+](C)C 11a_100000765925_100009452791 [0,0,0,0,0,1|3,0,0]=4 1255 B11R0.85 C=C(C)CNC(=O)CC[S+](C)C 1626a_100000765925_100009452791 [0,0,0,0,0,1|3,0,0]=4 1256 B11R0.85 C=C(C)CNC(=O)CC[S+](C)C 240690a_100000765925_100009452791 [0,0,0,0,0,1|3,0,0]=4 1257 B11R0.85 C=C(C)CNC(=O)CNC(=O)C 11a_100000765925_100000194580 [0,0,0,0,0,1|1,0,2]=4 1258 B11R0.85 C=C(C)CNC(=O)CNC(=O)C 1626a_100000765925_100000194580 [0,0,0,0,0,1|1,0,2]=4 1259 B11R0.85 C=C(C)CNC(=O)CNC(=O)C 240690a_100000765925_100000194580 [0,0,0,0,0,1|1,0,2]=4 1260 B11R0.85 C=C(C)CNC(=O)CNC(=O)C 527a_100000765925_100000194580 [0,0,0,0,0,1|1,0,2]=4 1261 B11R0.85 C=C(C)CNC(=O)COC(=O)C 1626a_100000765925_100000183556 [0,0,0,0,0,1|1,0,2]=4 1262 B11R0.85 C=C(C)CNC(=O)COC(=O)C 240690a_100000765925_100000183556 [0,0,0,0,0,1|1,0,2]=4 1263 B11R0.85 C=C(C)CNC(=O)COC(=O)C 527a_100000765925_100000183556 [0,0,0,0,0,1|1,0,2]=4 1264 B11R0.85 C=C(C)CNC(=O)COC(C)C 11a_100000765925_100000745533 [0,0,0,0,0,1|3,0,0]=4 1265 B11R0.85 C=C(C)CNC(=O)COC(C)C 1626a_100000765925_100000745533 [0,0,0,0,0,1|3,0,0]=4 1266 B11R0.85 C=C(C)CNC(=O)COC(C)C 240690a_100000765925_100000745533 [0,0,0,0,0,1|3,0,0]=4 1267 B11R0.85 C=C(C)CNC(=O)COC(C)C 527a_100000765925_100000745533 [0,0,0,0,0,1|3,0,0]=4 1268 B11R0.85 C=C(C)CNC(=O)CSC(=O)C 11a_100000765925_100000049016 [0,0,0,0,0,1|1,0,2]=4 1269 B11R0.85 C=C(C)CNC(=O)CSC(=O)C 1626a_100000765925_100000049016 [0,0,0,0,0,1|1,0,2]=4 1270 B11R0.85 C=C(C)CNC(=O)CSC(=O)C 240690a_100000765925_100000049016 [0,0,0,0,0,1|1,0,2]=4 1271 B11R0.85 C=C(C)CNC(=O)CSC(C)C 11a_100000765925_100000241585 [0,0,0,0,0,1|3,0,0]=4 1272 B11R0.85 C=C(C)CNC(=O)CSC(C)C 1626a_100000765925_100000241585 [0,0,0,0,0,1|3,0,0]=4 1273 B11R0.85 C=C(C)CNC(=O)CSC(C)C 240690a_100000765925_100000241585 [0,0,0,0,0,1|3,0,0]=4 1274 B11R0.85 C=C(C)CNC(=O)CSC(C)C 527a_100000765925_100000241585 [0,0,0,0,0,1|3,0,0]=4 1275 B11R0.85 C=C(C)CNC(=O)NCC(C)C 2708a_100000210953_100000765925 [0,0,0,0,0,1|2,0,0]=3 1276 B11R0.85 C=C(C)CNC(=O)NCC(C)C 2708a_100000765925_100000210953 [0,0,0,0,0,1|2,0,0]=3 1277 B11R0.85 C=C(C)CNC(=O)NCC(C)C 273464a_100000210953_100000765925 [0,0,0,0,0,1|2,0,0]=3 1278 B11R0.85 C=C(C)CNC(=O)NCC(C)C 273464a_100000765925_100000210953 [0,0,0,0,0,1|2,0,0]=3 1279 B11R0.85 C=C(C)CNC(=O)NCC(C)C 512a_100000210953_100000765925 [0,0,0,0,0,1|2,0,0]=3 1280 B11R0.85 C=C(C)CNC(=O)NCC(C)C 512a_100000765925_100000210953 [0,0,0,0,0,1|2,0,0]=3 1281 B11R0.85 C=C(C)CNC(=O)NCC(C)O 2708a_100000765925_100000210904 [0,0,0,0,0,1|3,0,0]=4 1282 B11R0.85 C=C(C)CNC(=O)NCC(C)O 273464a_100000210904_100000765925 [0,0,0,0,0,1|3,0,0]=4 1283 B11R0.85 C=C(C)CNC(=O)NCC(C)O 273464a_100000765925_100000210904 [0,0,0,0,0,1|3,0,0]=4 1284 B11R0.85 C=C(C)CNC(=O)NCC(C)O 512a_100000210904_100000765925 [0,0,0,0,0,1|3,0,0]=4 1285 B11R0.85 C=C(C)CNC(=O)NCC(C)O 512a_100000765925_100000210904 [0,0,0,0,0,1|3,0,0]=4 1286 B11R0.85 C=C(C)CNC(=O)NNC(C)C 273464a_100000765925_100000741168 [0,0,0,0,0,1|3,0,0]=4 1287 B11R0.85 C=C(C)CNC(=O)NNC(C)C 512a_100000741168_100000765925 [0,0,0,0,0,1|3,0,0]=4 1288 B11R0.85 C=C(C)CNC(=O)NNC(C)C 512a_100000765925_100000741168 [0,0,0,0,0,1|3,0,0]=4 1289 B11R0.85 CC(=CCC(=O)C=CC(C)C)C 1458a_100016268746_100000761012 [0,0,0,0,0,1|2,0,1]=4 1290 B11R0.85 CC(=CCC(=O)CCC(C)C)C 1458a_100000181311_100000761012 [0,0,0,0,0,1|2,0,0]=3 1291 B11R0.85 CC(=CCC(=O)CCC(C)C)C 1458a_100011220947_100000210312 [0,0,0,0,0,1|2,0,0]=3 1292 B11R0.85 CC(=CCC(=O)CCC(C)O)C 1458a_100011220947_100012276601 [0,0,0,0,0,1|3,0,0]=4 1293 B11R0.85 CC(=CCC(=O)CC[S+](C)C)C 1458a_100009452791_100000761012 [0,0,0,0,0,1|3,0,0]=4 1294 B11R0.85 CC(=CCC(=O)COC(C)C)C 1458a_100000745533_100000761012 [0,0,0,0,0,1|3,0,0]=4 1295 B11R0.85 CC(=CCC(=O)CSC(C)C)C 1458a_100000241585_100000761012 [0,0,0,0,0,1|3,0,0]=4 1296 B11R0.85 CC(=CCC(=O)NCC(C)C)C 11a_100000210953_100011220947 [0,0,0,0,0,1|2,0,0]=3 1297 B11R0.85 CC(=CCC(=O)NCC(C)C)C 1626a_100000210953_100011220947 [0,0,0,0,0,1|2,0,0]=3 1298 B11R0.85 CC(=CCC(=O)NCC(C)C)C 240690a_100000210953_100011220947 [0,0,0,0,0,1|2,0,0]=3 1299 B11R0.85 CC(=CCC(=O)NCC(C)C)C 527a_100000210953_100011220947 [0,0,0,0,0,1|2,0,0]=3 1300 B11R0.85 CC(=CCC(=O)NCC(C)O)C 11a_100000210904_100011220947 [0,0,0,0,0,1|3,0,0]=4 1301 B11R0.85 CC(=CCC(=O)NCC(C)O)C 240690a_100000210904_100011220947 [0,0,0,0,0,1|3,0,0]=4 1302 B11R0.85 CC(=CCC(=O)NCC(C)O)C 527a_100000210904_100011220947 [0,0,0,0,0,1|3,0,0]=4 1303 B11R0.85 CC(=CCC(=O)NNC(C)C)C 22a_100000741168_100011220947 [0,0,0,0,0,1|3,0,0]=4 1304 B11R0.85 CC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000053229 [0,0,0,0,0,1|3,0,0]=4 1305 B11R0.85 CC(=O)CNC(=O)CCC(C)C 1458a_100000205584_200000210301 [0,0,0,0,0,1|1,0,0]=2 1306 B11R0.85 CC(=O)CNC(=O)CNC(=O)C 1458a_100000195220_200000210301 [0,0,0,0,0,1|2,0,1]=4 1307 B11R0.85 CC(=O)COC(C)CCC(C)C 34a_100000211253_100011261404 [0,0,0,0,0,1|2,0,1]=4 1308 B11R0.85 CC(=O)NCC(=O)CC=C(C)C 1458a_100000194580_100000761012 [0,0,0,0,0,1|1,0,2]=4 1309 B11R0.85 CC(=O)NCC(=O)CCC(C)C 1458a_100000194580_100000210312 [0,0,0,0,0,1|1,0,0]=2 1310 B11R0.85 CC(=O)NCC(=O)CCC(C)O 1458a_100000194580_100012276601 [0,0,0,0,0,1|2,0,0]=3 1311 B11R0.85 CC(=O)NCC(=O)NCC(=O)[13CH3] 1458a_100000195220_200025704644 [0,0,0,0,0,1|2,0,1]=4 1312 B11R0.85 CC(=O)NCC(=O)NCC(C)C 11a_100000210953_100000194580 [0,0,0,0,0,1|1,0,0]=2 1313 B11R0.85 CC(=O)NCC(=O)NCC(C)C 1626a_100000210953_100000194580 [0,0,0,0,0,1|1,0,0]=2 1314 B11R0.85 CC(=O)NCC(=O)NCC(C)C 240690a_100000210953_100000194580 [0,0,0,0,0,1|1,0,0]=2 1315 B11R0.85 CC(=O)NCC(=O)NCC(C)C 527a_100000210953_100000194580 [0,0,0,0,0,1|1,0,0]=2 1316 B11R0.85 CC(=O)NCC(=O)NCC(C)O 11a_100000210904_100000194580 [0,0,0,0,0,1|2,0,0]=3 1317 B11R0.85 CC(=O)NCC(=O)NCC(C)O 240690a_100000210904_100000194580 [0,0,0,0,0,1|2,0,0]=3 1318 B11R0.85 CC(=O)NCC(=O)NCC(C)O 527a_100000210904_100000194580 [0,0,0,0,0,1|2,0,0]=3 1319 B11R0.85 CC(=O)NCC(=O)NCC(F)F 11a_100000765723_100000194580 [0,0,0,0,0,1|3,0,0]=4 1320 B11R0.85 CC(=O)NCC(=O)NCC(F)F 1626a_100000765723_100000194580 [0,0,0,0,0,1|3,0,0]=4 1321 B11R0.85 CC(=O)NCC(=O)NCC(F)F 240690a_100000765723_100000194580 [0,0,0,0,0,1|3,0,0]=4 1322 B11R0.85 CC(=O)NCC(=O)NCC(F)F 527a_100000765723_100000194580 [0,0,0,0,0,1|3,0,0]=4 1323 B11R0.85 CC(=O)NCC(=O)NNC(C)C 22a_100000741168_100000194580 [0,0,0,0,0,1|2,0,0]=3 1324 B11R0.85 CC(=O)NN=C(C)CCC(C)C 4a_100000189765_100000210476 [0,0,0,0,0,1|3,0,0]=4 1325 B11R0.85 CC(=O)NNC(=O)C=CC(C)C 22a_100000189765_100016268746 [0,0,0,0,0,1|2,0,1]=4 1326 B11R0.85 CC(=O)NNC(=O)CCC(C)C 22a_100000189765_100000181311 [0,0,0,0,0,1|2,0,0]=3 1327 B11R0.85 CC(=O)NNC(=O)CCN(C)C 22a_100000184544_100000070787 [0,0,0,0,0,1|3,0,0]=4 1328 B11R0.85 CC(=O)NNC(=O)CCN(C)C 22a_100000189765_100000689311 [0,0,0,0,0,1|3,0,0]=4 1329 B11R0.85 CC(=O)NNC(=O)CC[S+](C)C 22a_100000189765_100009452791 [0,0,0,0,0,1|3,0,0]=4 1330 B11R0.85 CC(=O)NNC(=O)CNC(C)C 2230a_100138425928_100000181415 [0,0,0,0,0,1|3,0,0]=4 1331 B11R0.85 CC(=O)NNC(=O)COC(C)C 22a_100000189765_100000745533 [0,0,0,0,0,1|3,0,0]=4 1332 B11R0.85 CC(=O)NNC(=O)CSC(C)C 22a_100000189765_100000241585 [0,0,0,0,0,1|3,0,0]=4 1333 B11R0.85 CC(=O)NNC(=O)CSC(C)C 62a_100000181415_100000210206 [0,0,0,0,0,1|3,0,0]=4 1334 B11R0.85 CC(=O)NNC(=O)CSC(C)C 62a_100000210206_100000181415 [0,0,0,0,0,1|3,0,0]=4 1335 B11R0.85 CC(=O)NNC(=O)NCC(C)C 273464a_100000210953_100000189765 [0,0,0,0,0,1|2,0,0]=3 1336 B11R0.85 CC(=O)NNC(=O)NCC(C)C 512a_100000189765_100000210953 [0,0,0,0,0,1|2,0,0]=3 1337 B11R0.85 CC(=O)NNC(=O)NCC(C)O 273464a_100000210904_100000189765 [0,0,0,0,0,1|3,0,0]=4 1338 B11R0.85 CC(=O)NNC(=O)NCC(C)O 512a_100000189765_100000210904 [0,0,0,0,0,1|3,0,0]=4 1339 B11R0.85 CC(=O)NNC(=O)NNC(C)C 512a_100000189765_100000741168 [0,0,0,0,0,1|3,0,0]=4 1340 B11R0.85 CC(=O)OCC(=NNC(C)C)C 4a_100000741168_100000000629 [0,0,0,0,0,1|3,0,0]=4 1341 B11R0.85 CC(=O)OCC(=O)CC=C(C)C 1458a_100000183556_100000761012 [0,0,0,0,0,1|1,0,2]=4 1342 B11R0.85 CC(=O)OCC(=O)CCC(C)C 1458a_100000183556_100000210312 [0,0,0,0,0,1|1,0,0]=2 1343 B11R0.85 CC(=O)OCC(=O)CCC(C)O 1458a_100000183556_100012276601 [0,0,0,0,0,1|2,0,0]=3 1344 B11R0.85 CC(=O)OCC(=O)CNC(C)C 34a_100138425928_100000036994 [0,0,0,0,0,1|2,0,0]=3 1345 B11R0.85 CC(=O)OCC(=O)COC(C)C 34a_100000212225_100000036994 [0,0,0,0,0,1|2,0,0]=3 1346 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000036994_100000210206 [0,0,0,0,0,1|2,0,0]=3 1347 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000210206_100000036994 [0,0,0,0,0,1|2,0,0]=3 1348 B11R0.85 CC(=O)OCC(=O)NCC(C)C 1626a_100000210953_100000183556 [0,0,0,0,0,1|1,0,0]=2 1349 B11R0.85 CC(=O)OCC(=O)NCC(C)C 240690a_100000210953_100000183556 [0,0,0,0,0,1|1,0,0]=2 1350 B11R0.85 CC(=O)OCC(=O)NCC(C)C 527a_100000210953_100000183556 [0,0,0,0,0,1|1,0,0]=2 1351 B11R0.85 CC(=O)OCC(=O)NCC(C)O 240690a_100000210904_100000183556 [0,0,0,0,0,1|2,0,0]=3 1352 B11R0.85 CC(=O)OCC(=O)NCC(C)O 527a_100000210904_100000183556 [0,0,0,0,0,1|2,0,0]=3 1353 B11R0.85 CC(=O)OCC(=O)NCC(F)F 1626a_100000765723_100000183556 [0,0,0,0,0,1|3,0,0]=4 1354 B11R0.85 CC(=O)OCC(=O)NCC(F)F 240690a_100000765723_100000183556 [0,0,0,0,0,1|3,0,0]=4 1355 B11R0.85 CC(=O)OCC(=O)NCC(F)F 527a_100000765723_100000183556 [0,0,0,0,0,1|3,0,0]=4 1356 B11R0.85 CC(=O)OCC(=O)NNC(C)C 22a_100000741168_100000183556 [0,0,0,0,0,1|2,0,0]=3 1357 B11R0.85 CC(=O)OCC(C)NCC(C)C 270004a_100000210953_100000000629 [0,0,0,0,0,1|2,0,1]=4 1358 B11R0.85 CC(=O)OCN(C)CCC(C)C 269982a_100000742789_100000076356 [0,0,0,0,0,1|3,0,0]=4 1359 B11R0.85 CC(=O)SCC(=O)CC=C(C)C 1458a_100000049016_100000761012 [0,0,0,0,0,1|1,0,2]=4 1360 B11R0.85 CC(=O)SCC(=O)CCC(C)C 1458a_100000049016_100000210312 [0,0,0,0,0,1|1,0,0]=2 1361 B11R0.85 CC(=O)SCC(=O)CCC(C)O 1458a_100000049016_100012276601 [0,0,0,0,0,1|2,0,0]=3 1362 B11R0.85 CC(=O)SCC(=O)NCC(C)C 11a_100000210953_100000049016 [0,0,0,0,0,1|1,0,0]=2 1363 B11R0.85 CC(=O)SCC(=O)NCC(C)C 1626a_100000210953_100000049016 [0,0,0,0,0,1|1,0,0]=2 1364 B11R0.85 CC(=O)SCC(=O)NCC(C)C 240690a_100000210953_100000049016 [0,0,0,0,0,1|1,0,0]=2 1365 B11R0.85 CC(=O)SCC(=O)NCC(C)O 11a_100000210904_100000049016 [0,0,0,0,0,1|2,0,0]=3 1366 B11R0.85 CC(=O)SCC(=O)NCC(C)O 240690a_100000210904_100000049016 [0,0,0,0,0,1|2,0,0]=3 1367 B11R0.85 CC(=O)SCC(=O)NCC(F)F 11a_100000765723_100000049016 [0,0,0,0,0,1|3,0,0]=4 1368 B11R0.85 CC(=O)SCC(=O)NCC(F)F 1626a_100000765723_100000049016 [0,0,0,0,0,1|3,0,0]=4 1369 B11R0.85 CC(=O)SCC(=O)NCC(F)F 240690a_100000765723_100000049016 [0,0,0,0,0,1|3,0,0]=4 1370 B11R0.85 CC(C)C=CC(=O)NCC(=O)N 11a_100000711301_100016268746 [0,0,0,0,0,1|2,0,1]=4 1371 B11R0.85 CC(C)C=CC(=O)NCC(=O)N 240690a_100000711301_100016268746 [0,0,0,0,0,1|2,0,1]=4 1372 B11R0.85 CC(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000210312 [0,0,0,0,0,1|2,0,0]=3 1373 B11R0.85 CC(C)CCC(=O)CCC(C)C 1458a_100000181311_100000210312 [0,0,0,0,0,1|2,0,1]=4 1374 B11R0.85 CC(C)CCC(=O)CCC(C)O 1458a_100000181311_100012276601 [0,0,0,0,0,1|1,0,2]=4 1375 B11R0.85 CC(C)CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210312 [0,0,0,0,0,1|3,0,0]=4 1376 B11R0.85 CC(C)CCC(=O)CC[S+](C)C 1458a_100009452791_100000210312 [0,0,0,0,0,1|3,0,0]=4 1377 B11R0.85 CC(C)CCC(=O)CNC(=O)N 1458a_100000184981_100000210312 [0,0,0,0,0,1|2,0,0]=3 1378 B11R0.85 CC(C)CCC(=O)COC(C)C 1458a_100000745533_100000210312 [0,0,0,0,0,1|2,0,1]=4 1379 B11R0.85 CC(C)CCC(=O)CSC(C)C 1458a_100000241585_100000210312 [0,0,0,0,0,1|2,0,1]=4 1380 B11R0.85 CC(C)CCC(=O)NCC(=O)N 11a_100000711301_100000181311 [0,0,0,0,0,1|2,0,0]=3 1381 B11R0.85 CC(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000181311 [0,0,0,0,0,1|2,0,0]=3 1382 B11R0.85 CC(C)CCC(=O)NCC(=O)N 527a_100000711301_100000181311 [0,0,0,0,0,1|2,0,0]=3 1383 B11R0.85 CC(C)CCC(=O)NCC(=O)[13CH3] 1458a_100000205584_200025704644 [0,0,0,0,0,1|1,0,0]=2 1384 B11R0.85 CC(C)CCC(=O)NCC(C)C 11a_100000210953_100000181311 [0,0,0,0,0,1|2,0,1]=4 1385 B11R0.85 CC(C)CCC(=O)NCC(C)C 1626a_100000210953_100000181311 [0,0,0,0,0,1|2,0,1]=4 1386 B11R0.85 CC(C)CCC(=O)NCC(C)C 240690a_100000210953_100000181311 [0,0,0,0,0,1|2,0,1]=4 1387 B11R0.85 CC(C)CCC(=O)NCC(C)C 527a_100000210953_100000181311 [0,0,0,0,0,1|2,0,1]=4 1388 B11R0.85 CC(C)CCC(=O)NCC(C)O 11a_100000210904_100000181311 [0,0,0,0,0,1|1,0,2]=4 1389 B11R0.85 CC(C)CCC(=O)NCC(C)O 240690a_100000210904_100000181311 [0,0,0,0,0,1|1,0,2]=4 1390 B11R0.85 CC(C)CCC(=O)NCC(C)O 527a_100000210904_100000181311 [0,0,0,0,0,1|1,0,2]=4 1391 B11R0.85 CC(C)CNC(=O)CCC(=O)N 240690a_100000210953_100011215257 [0,0,0,0,0,1|2,0,0]=3 1392 B11R0.85 CC(C)CNC(=O)CCC(=O)N 527a_100000210953_100011215257 [0,0,0,0,0,1|2,0,0]=3 1393 B11R0.85 CC(C)CNC(=O)CCC(C)O 1626a_100000210953_100000718519 [0,0,0,0,0,1|1,0,2]=4 1394 B11R0.85 CC(C)CNC(=O)CCN(C)C 11a_100000210953_100000689311 [0,0,0,0,0,1|3,0,0]=4 1395 B11R0.85 CC(C)CNC(=O)CCN(C)C 240690a_100000210953_100000689311 [0,0,0,0,0,1|3,0,0]=4 1396 B11R0.85 CC(C)CNC(=O)CCN(C)C 527a_100000210953_100000689311 [0,0,0,0,0,1|3,0,0]=4 1397 B11R0.85 CC(C)CNC(=O)CC[N+](=O)[O-] 11a_100000210953_200000064761 [0,0,0,0,0,1|3,0,0]=4 1398 B11R0.85 CC(C)CNC(=O)CC[N+](=O)[O-] 1626a_100000210953_200000064761 [0,0,0,0,0,1|3,0,0]=4 1399 B11R0.85 CC(C)CNC(=O)CC[N+](=O)[O-] 240690a_100000210953_200000064761 [0,0,0,0,0,1|3,0,0]=4 1400 B11R0.85 CC(C)CNC(=O)CC[S+](C)C 11a_100000210953_100009452791 [0,0,0,0,0,1|3,0,0]=4 1401 B11R0.85 CC(C)CNC(=O)CC[S+](C)C 1626a_100000210953_100009452791 [0,0,0,0,0,1|3,0,0]=4 1402 B11R0.85 CC(C)CNC(=O)CC[S+](C)C 240690a_100000210953_100009452791 [0,0,0,0,0,1|3,0,0]=4 1403 B11R0.85 CC(C)CNC(=O)CNC(=O)N 240690a_100000210953_100000184981 [0,0,0,0,0,1|2,0,0]=3 1404 B11R0.85 CC(C)CNC(=O)CNC(=O)N 527a_100000210953_100000184981 [0,0,0,0,0,1|2,0,0]=3 1405 B11R0.85 CC(C)CNC(=O)CNC(C)C 2230a_100138425928_100000183291 [0,0,0,0,0,1|2,0,1]=4 1406 B11R0.85 CC(C)CNC(=O)CNC(C)C 34a_100138425928_100000183291 [0,0,0,0,0,1|2,0,1]=4 1407 B11R0.85 CC(C)CNC(=O)COC(C)C 11a_100000210953_100000745533 [0,0,0,0,0,1|2,0,1]=4 1408 B11R0.85 CC(C)CNC(=O)COC(C)C 1626a_100000210953_100000745533 [0,0,0,0,0,1|2,0,1]=4 1409 B11R0.85 CC(C)CNC(=O)COC(C)C 240690a_100000210953_100000745533 [0,0,0,0,0,1|2,0,1]=4 1410 B11R0.85 CC(C)CNC(=O)COC(C)C 34a_100000212225_100000183291 [0,0,0,0,0,1|2,0,1]=4 1411 B11R0.85 CC(C)CNC(=O)COC(C)C 527a_100000210953_100000745533 [0,0,0,0,0,1|2,0,1]=4 1412 B11R0.85 CC(C)CNC(=O)CSC(=O)N 240690a_100000210953_200015941356 [0,0,0,0,0,1|2,0,0]=3 1413 B11R0.85 CC(C)CNC(=O)CSC(C)C 11a_100000210953_100000241585 [0,0,0,0,0,1|2,0,1]=4 1414 B11R0.85 CC(C)CNC(=O)CSC(C)C 1626a_100000210953_100000241585 [0,0,0,0,0,1|2,0,1]=4 1415 B11R0.85 CC(C)CNC(=O)CSC(C)C 240690a_100000210953_100000241585 [0,0,0,0,0,1|2,0,1]=4 1416 B11R0.85 CC(C)CNC(=O)CSC(C)C 527a_100000210953_100000241585 [0,0,0,0,0,1|2,0,1]=4 1417 B11R0.85 CC(C)CNC(=O)CSC(C)C 62a_100000183291_100000210206 [0,0,0,0,0,1|2,0,1]=4 1418 B11R0.85 CC(C)CNC(=O)CSC(C)C 62a_100000210206_100000183291 [0,0,0,0,0,1|2,0,1]=4 1419 B11R0.85 CC(C)CNC(=O)NCC(=O)N 2708a_100000210953_100000711301 [0,0,0,0,0,1|2,0,0]=3 1420 B11R0.85 CC(C)CNC(=O)NCC(=O)N 273464a_100000210953_100000711301 [0,0,0,0,0,1|2,0,0]=3 1421 B11R0.85 CC(C)CNC(=O)NCC(=O)N 273464a_100000711301_100000210953 [0,0,0,0,0,1|2,0,0]=3 1422 B11R0.85 CC(C)CNC(=O)NCC(=O)N 512a_100000210953_100000711301 [0,0,0,0,0,1|2,0,0]=3 1423 B11R0.85 CC(C)CNC(=O)NCC(C)C 2708a_100000210953_100000210953 [0,0,0,0,0,1|2,0,1]=4 1424 B11R0.85 CC(C)CNC(=O)NCC(C)C 273464a_100000210953_100000210953 [0,0,0,0,0,1|2,0,1]=4 1425 B11R0.85 CC(C)CNC(=O)NCC(C)C 512a_100000210953_100000210953 [0,0,0,0,0,1|2,0,1]=4 1426 B11R0.85 CC(C)CNC(=O)NCC(C)O 2708a_100000210953_100000210904 [0,0,0,0,0,1|1,0,2]=4 1427 B11R0.85 CC(C)CNC(=O)NCC(C)O 273464a_100000210904_100000210953 [0,0,0,0,0,1|1,0,2]=4 1428 B11R0.85 CC(C)CNC(=O)NCC(C)O 273464a_100000210953_100000210904 [0,0,0,0,0,1|1,0,2]=4 1429 B11R0.85 CC(C)CNC(=O)NCC(C)O 512a_100000210904_100000210953 [0,0,0,0,0,1|1,0,2]=4 1430 B11R0.85 CC(C)CNC(=O)NCC(C)O 512a_100000210953_100000210904 [0,0,0,0,0,1|1,0,2]=4 1431 B11R0.85 CC(C)NCC(=O)NCC(=O)O 269956a_100000183575_100000210206 [0,0,0,0,0,1|3,0,0]=4 1432 B11R0.85 CC(C)NNC(=O)CCC(=O)N 22a_100000741168_100011215257 [0,0,0,0,0,1|3,0,0]=4 1433 B11R0.85 CC(C)NNC(=O)CNC(=O)N 22a_100000741168_100000184981 [0,0,0,0,0,1|3,0,0]=4 1434 B11R0.85 CC(C)NNC(=O)NCC(=O)N 273464a_100000711301_100000741168 [0,0,0,0,0,1|3,0,0]=4 1435 B11R0.85 CC(C)NNC(=O)NCC(=O)N 512a_100000741168_100000711301 [0,0,0,0,0,1|3,0,0]=4 1436 B11R0.85 CC(C)OCC(=O)NCC(=O)N 11a_100000711301_100000745533 [0,0,0,0,0,1|3,0,0]=4 1437 B11R0.85 CC(C)OCC(=O)NCC(=O)N 240690a_100000711301_100000745533 [0,0,0,0,0,1|3,0,0]=4 1438 B11R0.85 CC(C)OCC(=O)NCC(=O)N 527a_100000711301_100000745533 [0,0,0,0,0,1|3,0,0]=4 1439 B11R0.85 CC(C)SCC(=O)NCC(=O)N 11a_100000711301_100000241585 [0,0,0,0,0,1|3,0,0]=4 1440 B11R0.85 CC(C)SCC(=O)NCC(=O)N 240690a_100000711301_100000241585 [0,0,0,0,0,1|3,0,0]=4 1441 B11R0.85 CC(C)SCC(=O)NCC(=O)N 527a_100000711301_100000241585 [0,0,0,0,0,1|3,0,0]=4 1442 B11R0.85 CC(O)CCC(=O)CCC(=O)N 1458a_100011215257_100012276601 [0,0,0,0,0,1|3,0,0]=4 1443 B11R0.85 CC(O)CCC(=O)CNC(=O)N 1458a_100000184981_100012276601 [0,0,0,0,0,1|3,0,0]=4 1444 B11R0.85 CC(O)CNC(=O)CCC(=O)N 240690a_100000210904_100011215257 [0,0,0,0,0,1|3,0,0]=4 1445 B11R0.85 CC(O)CNC(=O)CCC(=O)N 527a_100000210904_100011215257 [0,0,0,0,0,1|3,0,0]=4 1446 B11R0.85 CC(O)CNC(=O)CNC(=O)N 240690a_100000210904_100000184981 [0,0,0,0,0,1|3,0,0]=4 1447 B11R0.85 CC(O)CNC(=O)CNC(=O)N 527a_100000210904_100000184981 [0,0,0,0,0,1|3,0,0]=4 1448 B11R0.85 CC(O)CNC(=O)CSC(=O)N 240690a_100000210904_200015941356 [0,0,0,0,0,1|3,0,0]=4 1449 B11R0.85 CC(O)CNC(=O)NCC(=O)N 273464a_100000210904_100000711301 [0,0,0,0,0,1|3,0,0]=4 1450 B11R0.85 CC(O)CNC(=O)NCC(=O)N 273464a_100000711301_100000210904 [0,0,0,0,0,1|3,0,0]=4 1451 B11R0.85 CC(O)CNC(=O)NCC(=O)N 512a_100000210904_100000711301 [0,0,0,0,0,1|3,0,0]=4 1452 B11R0.85 CN(C)CCC(=O)NCC(=O)N 11a_100000711301_100000689311 [0,0,0,0,0,1|3,0,0]=4 1453 B11R0.85 CN(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000689311 [0,0,0,0,0,1|3,0,0]=4 1454 B11R0.85 CN(C)CCC(=O)NCC(=O)N 527a_100000711301_100000689311 [0,0,0,0,0,1|3,0,0]=4 1455 B11R0.85 C[S+](C)CCC(=O)NCC(=O)N 11a_100000711301_100009452791 [0,0,0,0,0,1|3,0,0]=4 1456 B11R0.85 C[S+](C)CCC(=O)NCC(=O)N 240690a_100000711301_100009452791 [0,0,0,0,0,1|3,0,0]=4 1457 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [2,0,0,0,0,0|1,0,1]=4 1458 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [2,0,0,0,0,0|1,0,1]=4 1459 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [2,0,0,0,0,0|1,0,1]=4 1460 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [2,0,0,0,0,0|1,0,1]=4 1461 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [2,0,0,0,0,0|1,0,1]=4 1462 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [2,0,0,0,0,0|1,0,1]=4 1463 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [2,0,0,0,0,0|1,0,1]=4 1464 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [2,0,0,0,0,0|1,0,1]=4 1465 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [2,0,0,0,0,0|1,0,1]=4 1466 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [2,0,0,0,0,0|1,0,1]=4 1467 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [2,0,0,0,0,0|1,0,1]=4 1468 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [2,0,0,0,0,0|1,0,1]=4 1469 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [2,0,0,0,0,0|1,0,1]=4 1470 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [2,0,0,0,0,0|1,0,1]=4 1471 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [2,0,0,0,0,0|1,0,1]=4 1472 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|1,0,1]=4 1473 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|1,0,1]=4 1474 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|2,0,0]=4 1475 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|2,0,0]=4 1476 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 1477 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 1478 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 1479 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 1480 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [2,0,0,0,0,0|2,0,0]=4 1481 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 1482 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [2,0,0,0,0,0|2,0,0]=4 1483 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 1484 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [2,0,0,0,0,0|2,0,0]=4 1485 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 1486 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 1487 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 1488 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [2,0,0,0,0,0|2,0,0]=4 1489 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 1490 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 1491 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 1492 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 1493 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 1494 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [2,0,0,0,0,0|2,0,0]=4 1495 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [2,0,0,0,0,0|2,0,0]=4 1496 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [2,0,0,0,0,0|2,0,0]=4 1497 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [2,0,0,0,0,0|2,0,0]=4 1498 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 1499 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [2,0,0,0,0,0|1,0,0]=3 1500 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 1501 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [2,0,0,0,0,0|1,0,0]=3 1502 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [2,0,0,0,0,0|1,0,0]=3 1503 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [2,0,0,0,0,0|1,0,0]=3 1504 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [2,0,0,0,0,0|1,0,0]=3 1505 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [2,0,0,0,0,0|1,0,0]=3 1506 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [2,0,0,0,0,0|1,0,0]=3 1507 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [2,0,0,0,0,0|2,0,0]=4 1508 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [2,0,0,0,0,0|2,0,0]=4 1509 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [2,0,0,0,0,0|2,0,0]=4 1510 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [2,0,0,0,0,0|1,0,0]=3 1511 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [2,0,0,0,0,0|1,0,0]=3 1512 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [2,0,0,0,0,0|1,0,1]=4 1513 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [2,0,0,0,0,0|0,0,2]=4 1514 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [2,0,0,0,0,0|2,0,0]=4 1515 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [2,0,0,0,0,0|2,0,0]=4 1516 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [2,0,0,0,0,0|1,0,1]=4 1517 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [2,0,0,0,0,0|1,0,1]=4 1518 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [2,0,0,0,0,0|1,0,1]=4 1519 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [2,0,0,0,0,0|1,0,1]=4 1520 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [2,0,0,0,0,0|1,0,1]=4 1521 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [2,0,0,0,0,0|0,0,0]=2 1522 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [2,0,0,0,0,0|1,0,0]=3 1523 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [2,0,0,0,0,0|1,0,0]=3 1524 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [2,0,0,0,0,0|1,0,0]=3 1525 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [2,0,0,0,0,0|1,0,1]=4 1526 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [2,0,0,0,0,0|1,0,1]=4 1527 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [2,0,0,0,0,0|0,0,2]=4 1528 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [2,0,0,0,0,0|2,0,0]=4 1529 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [2,0,0,0,0,0|2,0,0]=4 1530 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [2,0,0,0,0,0|2,0,0]=4 1531 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [2,0,0,0,0,0|0,0,2]=4 1532 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [2,0,0,0,0,0|2,0,0]=4 1533 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [2,0,0,0,0,0|2,0,0]=4 1534 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [2,0,0,0,0,0|1,0,1]=4 1535 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [2,0,0,0,0,0|1,0,1]=4 1536 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [2,0,0,0,0,0|1,0,1]=4 1537 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [2,0,0,0,0,0|1,0,0]=3 1538 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [2,0,0,0,0,0|1,0,0]=3 1539 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [2,0,0,0,0,0|1,0,0]=3 1540 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [2,0,0,0,0,0|2,0,0]=4 1541 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [2,0,0,0,0,0|2,0,0]=4 1542 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [2,0,0,0,0,0|0,0,0]=2 1543 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [2,0,0,0,0,0|0,0,0]=2 1544 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [2,0,0,0,0,0|0,0,0]=2 1545 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [2,0,0,0,0,0|2,0,0]=4 1546 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [2,0,0,0,0,0|2,0,0]=4 1547 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [2,0,0,0,0,0|2,0,0]=4 1548 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [2,0,0,0,0,0|2,0,0]=4 1549 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [2,0,0,0,0,0|2,0,0]=4 1550 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [2,0,0,0,0,0|2,0,0]=4 1551 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [2,0,0,0,0,0|2,0,0]=4 1552 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [2,0,0,0,0,0|2,0,0]=4 1553 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [2,0,0,0,0,0|2,0,0]=4 1554 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [2,0,0,0,0,0|2,0,0]=4 1555 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [2,0,0,0,0,0|2,0,0]=4 1556 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [2,0,0,0,0,0|2,0,0]=4 1557 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [2,0,0,0,0,0|2,0,0]=4 1558 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [2,0,0,0,0,0|2,0,0]=4 1559 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [2,0,0,0,0,0|0,0,2]=4 1560 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [2,0,0,0,0,0|0,0,2]=4 1561 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [2,0,0,0,0,0|1,0,1]=4 1562 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [2,0,0,0,0,0|1,0,1]=4 1563 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [2,0,0,0,0,0|0,0,2]=4 1564 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [2,0,0,0,0,0|0,0,2]=4 1565 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [2,0,0,0,0,0|1,0,1]=4 1566 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [2,0,0,0,0,0|1,0,1]=4 1567 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|1,0,1]=4 1568 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|1,0,1]=4 1569 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|1,0,1]=4 1570 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|1,0,1]=4 1571 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [2,0,0,0,0,0|2,0,0]=4 1572 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [2,0,0,0,0,0|2,0,0]=4 1573 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [2,0,0,0,0,0|2,0,0]=4 1574 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [2,0,0,0,0,0|2,0,0]=4 1575 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [2,0,0,0,0,0|1,0,1]=4 1576 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [2,0,0,0,0,0|1,0,1]=4 1577 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [2,0,0,0,0,0|0,0,2]=4 1578 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|1,0,0]=3 1579 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|1,0,0]=3 1580 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|1,0,1]=4 1581 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|1,0,1]=4 1582 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,1]=4 1583 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,1]=4 1584 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,1]=4 1585 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|2,0,0]=4 1586 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|2,0,0]=4 1587 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|2,0,0]=4 1588 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|2,0,0]=4 1589 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [2,0,0,0,0,0|0,0,2]=4 1590 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [2,0,0,0,0,0|0,0,2]=4 1591 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [2,0,0,0,0,0|0,0,2]=4 1592 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|2,0,0]=4 1593 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|2,0,0]=4 1594 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|0,0,1]=3 1595 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|0,0,1]=3 1596 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|0,0,1]=3 1597 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|1,0,1]=4 1598 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|1,0,1]=4 1599 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|1,0,1]=4 1600 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|1,0,1]=4 1601 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|0,1,1]=4 1602 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|0,1,1]=4 1603 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [2,0,0,0,0,0|1,0,1]=4 1604 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [2,0,0,0,0,0|1,0,1]=4 1605 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [2,0,0,0,0,0|1,0,1]=4 1606 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [2,0,0,0,0,0|1,0,1]=4 1607 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [2,0,0,0,0,0|1,0,1]=4 1608 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [2,0,0,0,0,0|1,0,1]=4 1609 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [2,0,0,0,0,0|1,0,1]=4 1610 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [2,0,0,0,0,0|1,0,1]=4 1611 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|1,0,1]=4 1612 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [2,0,0,0,0,0|1,0,1]=4 1613 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [2,0,0,0,0,0|1,0,1]=4 1614 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [2,0,0,0,0,0|1,0,1]=4 1615 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [2,0,0,0,0,0|2,0,0]=4 1616 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [2,0,0,0,0,0|1,0,1]=4 1617 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [2,0,0,0,0,0|1,0,1]=4 1618 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [2,0,0,0,0,0|1,0,1]=4 1619 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [2,0,0,0,0,0|1,0,1]=4 1620 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [2,0,0,0,0,0|1,0,0]=3 1621 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [2,0,0,0,0,0|1,0,0]=3 1622 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [2,0,0,0,0,0|2,0,0]=4 1623 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [2,0,0,0,0,0|2,0,0]=4 1624 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [2,0,0,0,0,0|2,0,0]=4 1625 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [2,0,0,0,0,0|2,0,0]=4 1626 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [2,0,0,0,0,0|2,0,0]=4 1627 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [2,0,0,0,0,0|2,0,0]=4 1628 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [2,0,0,0,0,0|2,0,0]=4 1629 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [2,0,0,0,0,0|1,0,0]=3 1630 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [2,0,0,0,0,0|1,0,0]=3 1631 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [2,0,0,0,0,0|1,0,0]=3 1632 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [2,0,0,0,0,0|1,0,0]=3 1633 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [2,0,0,0,0,0|2,0,0]=4 1634 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [2,0,0,0,0,0|2,0,0]=4 1635 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [2,0,0,0,0,0|2,0,0]=4 1636 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [2,0,0,0,0,0|2,0,0]=4 1637 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [2,0,0,0,0,0|1,0,1]=4 1638 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [2,0,0,0,0,0|1,0,1]=4 1639 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [2,0,0,0,0,0|2,0,0]=4 1640 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [2,0,0,0,0,0|2,0,0]=4 1641 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [2,0,0,0,0,0|2,0,0]=4 1642 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [2,0,0,0,0,0|2,0,0]=4 1643 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [2,0,0,0,0,0|2,0,0]=4 1644 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [2,0,0,0,0,0|2,0,0]=4 1645 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [2,0,0,0,0,0|2,0,0]=4 1646 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [2,0,0,0,0,0|2,0,0]=4 1647 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [2,0,0,0,0,0|2,0,0]=4 1648 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [2,0,0,0,0,0|2,0,0]=4 1649 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [1,1,0,0,0,0|2,0,0]=4 1650 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [1,1,0,0,0,0|2,0,0]=4 1651 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|2,0,0]=4 1652 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [1,1,0,0,0,0|2,0,0]=4 1653 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [1,1,0,0,0,0|2,0,0]=4 1654 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [1,1,0,0,0,0|2,0,0]=4 1655 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [1,1,0,0,0,0|2,0,0]=4 1656 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [1,1,0,0,0,0|2,0,0]=4 1657 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [1,1,0,0,0,0|1,0,0]=3 1658 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [1,1,0,0,0,0|2,0,0]=4 1659 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [1,1,0,0,0,0|1,1,0]=4 1660 B10R0.6 C=C(F)CC(=O)COCCC 1458a_100000745993_100009893438 [1,1,0,0,0,0|1,0,1]=4 1661 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [1,1,0,0,0,0|0,0,0]=2 1662 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [1,1,0,0,0,0|0,0,0]=2 1663 B10R0.6 CCCC#CC(=O)CC(=O)N 1458a_200011218047_100000187820 [1,1,0,0,0,0|2,0,0]=4 1664 B10R0.6 CCCC#CC(=O)CC(=O)[O-] 1458a_200011218047_100020667443 [1,1,0,0,0,0|2,0,0]=4 1665 B10R0.6 CCCC=CC(=O)CC(=O)N 1458a_100000212230_100000187820 [1,1,0,0,0,0|2,0,0]=4 1666 B10R0.6 CCCC=CC(=O)CC(=O)[O-] 1458a_100000212230_100020667443 [1,1,0,0,0,0|2,0,0]=4 1667 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|1,0,0]=3 1668 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|2,0,0]=4 1669 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|2,0,0]=4 1670 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|2,0,0]=4 1671 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,1,0,0,0,0|1,0,0]=3 1672 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [1,1,0,0,0,0|2,0,0]=4 1673 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [1,1,0,0,0,0|2,0,0]=4 1674 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,1,0,0,0,0|0,0,0]=2 1675 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [1,1,0,0,0,0|2,0,0]=4 1676 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [1,1,0,0,0,0|2,0,0]=4 1677 B10R0.6 CCCNNC(=O)CC(=O)N 22a_100000740057_100134613110 [1,1,0,0,0,0|2,0,0]=4 1678 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [1,1,0,0,0,0|1,0,0]=3 1679 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [1,1,0,0,0,0|1,0,0]=3 1680 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [1,1,0,0,0,0|1,0,1]=4 1681 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [1,1,0,0,0,0|0,0,2]=4 1682 B10R0.6 CCCOCC(=O)C[N+](=O)[O-] 1458a_100000745993_100000761209 [1,1,0,0,0,0|2,0,0]=4 1683 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [1,1,0,0,0,0|1,1,0]=4 1684 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [1,1,0,0,0,0|1,1,0]=4 1685 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [1,1,0,0,0,0|1,1,0]=4 1686 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [1,1,0,0,0,0|2,0,0]=4 1687 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [1,1,0,0,0,0|2,0,0]=4 1688 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [1,1,0,0,0,0|2,0,0]=4 1689 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [1,1,0,0,0,0|2,0,0]=4 1690 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [1,1,0,0,0,0|2,0,0]=4 1691 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [1,1,0,0,0,0|2,0,0]=4 1692 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [1,1,0,0,0,0|0,0,0]=2 1693 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [1,1,0,0,0,0|2,0,0]=4 1694 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [1,1,0,0,0,0|2,0,0]=4 1695 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [1,1,0,0,0,0|2,0,0]=4 1696 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [1,1,0,0,0,0|1,0,0]=3 1697 B10R0.6 COCCNC(=O)CC(=O)N 240690a_100000209980_100134613110 [1,1,0,0,0,0|2,0,0]=4 1698 B10R0.6 COCCNC(=O)CC(=O)N 527a_100000209980_100134613110 [1,1,0,0,0,0|2,0,0]=4 1699 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [1,1,0,0,0,0|0,0,0]=2 1700 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [1,1,0,0,0,0|0,0,0]=2 1701 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [1,1,0,0,0,0|2,0,0]=4 1702 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [1,1,0,0,0,0|2,0,0]=4 1703 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [1,1,0,0,0,0|2,0,0]=4 1704 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [1,1,0,0,0,0|2,0,0]=4 1705 B10R0.6 CSCCNC(=O)CC(=O)N 240690a_100020590264_100134613110 [1,1,0,0,0,0|2,0,0]=4 1706 B10R0.6 CSCCNC(=O)CC(=O)N 527a_100020590264_100134613110 [1,1,0,0,0,0|2,0,0]=4 1707 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [1,1,0,0,0,0|0,0,0]=2 1708 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [1,1,0,0,0,0|0,0,0]=2 1709 B10R0.6 CSCCOC(=O)NC(=O)N 62a_200000210301_100000054987 [1,1,0,0,0,0|2,0,0]=4 1710 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [1,1,0,0,0,0|2,0,0]=4 1711 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [1,1,0,0,0,0|2,0,0]=4 1712 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [1,1,0,0,0,0|2,0,0]=4 1713 B10R0.6 NC(=O)CC(=O)COCCO 1458a_100000708028_100000187820 [1,1,0,0,0,0|2,0,0]=4 1714 B10R0.6 NC(=O)CC(=O)NCCCF 240690a_100015189416_100134613110 [1,1,0,0,0,0|2,0,0]=4 1715 B10R0.6 NC(=O)CC(=O)NCCCF 527a_100015189416_100134613110 [1,1,0,0,0,0|2,0,0]=4 1716 B10R0.6 NC(=O)CC(=O)NCCCO 240690a_100000182051_100134613110 [1,1,0,0,0,0|2,0,0]=4 1717 B10R0.6 NC(=O)CC(=O)NCCCO 527a_100000182051_100134613110 [1,1,0,0,0,0|2,0,0]=4 1718 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [1,1,0,0,0,0|2,0,0]=4 1719 B10R0.6 O=C([O-])CC(=O)COCCO 1458a_100000708028_100020667443 [1,1,0,0,0,0|2,0,0]=4 1720 B10R0.6 [13CH3]SCCOC(=O)NC(=O)N 62a_200025704644_100000054987 [1,1,0,0,0,0|2,0,0]=4 1721 B10R0.18 C#CC(=O)CC(=O)NCCC 1458a_100000211873_100000183358 [1,1,0,0,0,0|1,0,1]=4 1722 B10R0.18 C#CC(=O)CC(=O)OCCC 1458a_100000211873_200011215008 [1,1,0,0,0,0|0,0,1]=3 1723 B10R0.18 C=C(CC(=O)CC)OCOC 1458a_100000210414_100000042856 [1,1,0,0,0,0|2,0,0]=4 1724 B10R0.18 C=C(CC(=O)CO)OCOC 1458a_100000210174_100000042856 [1,1,0,0,0,0|2,0,0]=4 1725 B10R0.18 C=CC(=O)CC(=O)NCCC 1458a_100000185746_100000183358 [1,1,0,0,0,0|1,0,1]=4 1726 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [1,1,0,0,0,0|0,0,1]=3 1727 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [1,1,0,0,0,0|0,0,2]=4 1728 B10R0.18 C=CCOC(=O)CC(=O)CO 1458a_100000210174_100000033060 [1,1,0,0,0,0|0,0,2]=4 1729 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [1,1,0,0,0,0|1,0,1]=4 1730 B10R0.18 CCC#CC(=O)CC(=O)NC 1458a_100011827653_100000183359 [1,1,0,0,0,0|1,0,1]=4 1731 B10R0.18 CCC#CC(=O)CC(=O)OC 1458a_100011827653_100000747449 [1,1,0,0,0,0|1,0,1]=4 1732 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [1,1,0,0,0,0|2,0,0]=4 1733 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [1,1,0,0,0,0|2,0,0]=4 1734 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [1,1,0,0,0,0|1,0,1]=4 1735 B10R0.18 CCC=CC(=O)CC(=O)NC 1458a_100000212282_100000183359 [1,1,0,0,0,0|1,0,1]=4 1736 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [1,1,0,0,0,0|1,0,1]=4 1737 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|1,0,0]=3 1738 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [1,1,0,0,0,0|1,0,0]=3 1739 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [1,1,0,0,0,0|1,0,0]=3 1740 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [1,1,0,0,0,0|1,0,0]=3 1741 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [1,1,0,0,0,0|1,0,0]=3 1742 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [1,1,0,0,0,0|1,0,0]=3 1743 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [1,1,0,0,0,0|1,0,0]=3 1744 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [1,1,0,0,0,0|0,0,0]=2 1745 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [1,1,0,0,0,0|0,0,0]=2 1746 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [1,1,0,0,0,0|2,0,0]=4 1747 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [1,1,0,0,0,0|2,0,0]=4 1748 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [1,1,0,0,0,0|1,0,1]=4 1749 B10R0.18 CCNNC(=O)CC(=O)OC 22a_100000756455_100000211351 [1,1,0,0,0,0|2,0,0]=4 1750 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [1,1,0,0,0,0|2,0,0]=4 1751 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [1,1,0,0,0,0|2,0,0]=4 1752 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [1,1,0,0,0,0|2,0,0]=4 1753 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [1,1,0,0,0,0|2,0,0]=4 1754 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [1,1,0,0,0,0|2,0,0]=4 1755 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [1,1,0,0,0,0|2,0,0]=4 1756 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [1,1,0,0,0,0|2,0,0]=4 1757 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [1,1,0,0,0,0|2,0,0]=4 1758 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [1,1,0,0,0,0|2,0,0]=4 1759 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [1,1,0,0,0,0|2,0,0]=4 1760 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [1,1,0,0,0,0|2,0,0]=4 1761 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [1,1,0,0,0,0|2,0,0]=4 1762 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [1,1,0,0,0,0|2,0,0]=4 1763 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [1,1,0,0,0,0|2,0,0]=4 1764 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [1,1,0,0,0,0|2,0,0]=4 1765 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [1,1,0,0,0,0|2,0,0]=4 1766 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [1,1,0,0,0,0|2,0,0]=4 1767 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [1,1,0,0,0,0|2,0,0]=4 1768 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [1,1,0,0,0,0|2,0,0]=4 1769 B10R0.28 CCCNC(=O)CS(=O)(=O)C 11a_100020643023_100000744497 [1,1,0,0,0,0|2,0,0]=4 1770 B10R0.28 CCCNC(=O)CS(=O)(=O)C 240690a_100020643023_100000744497 [1,1,0,0,0,0|2,0,0]=4 1771 B10R0.28 CCCNC(=O)CS(=O)(=O)C 527a_100020643023_100000744497 [1,1,0,0,0,0|2,0,0]=4 1772 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [1,1,0,0,0,0|2,0,0]=4 1773 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [1,1,0,0,0,0|2,0,0]=4 1774 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [1,1,0,0,0,0|2,0,0]=4 1775 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [1,1,0,0,0,0|2,0,0]=4 1776 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [1,1,0,0,0,0|2,0,0]=4 1777 B10R0.32 CCCN(C)C(=O)CC(=O)N 240690a_100000747261_100134613110 [1,1,0,0,0,0|2,0,0]=4 1778 B10R0.32 CCCN(C)C(=O)CC(=O)N 527a_100000747261_100134613110 [1,1,0,0,0,0|2,0,0]=4 1779 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [1,1,0,0,0,0|2,0,0]=4 1780 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [1,1,0,0,0,0|2,0,0]=4 1781 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [1,1,0,0,0,0|2,0,0]=4 1782 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [1,1,0,0,0,0|2,0,0]=4 1783 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [1,1,0,0,0,0|2,0,0]=4 1784 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [1,1,0,0,0,0|2,0,0]=4 1785 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [1,1,0,0,0,0|2,0,0]=4 1786 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [1,1,0,0,0,0|1,0,0]=3 1787 B10R0.44 CCC(C)NC(=O)CC(=O)N 240690a_100000209981_100134613110 [1,1,0,0,0,0|2,0,0]=4 1788 B10R0.44 CCC(C)NC(=O)CC(=O)N 527a_100000209981_100134613110 [1,1,0,0,0,0|2,0,0]=4 1789 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [1,1,0,0,0,0|2,0,0]=4 1790 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [1,1,0,0,0,0|2,0,0]=4 1791 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [1,1,0,0,0,0|2,0,0]=4 1792 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [1,1,0,0,0,0|2,0,0]=4 1793 B10R0.81 CCC#CC(=O)C(C)C(=O)C 1458a_100011827653_100000179758 [1,1,0,0,0,0|1,0,1]=4 1794 B10R0.81 CCC=CC(=O)C(C)C(=O)C 1458a_100000212282_100000179758 [1,1,0,0,0,0|1,0,1]=4 1795 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [1,1,0,0,0,0|1,0,0]=3 1796 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [1,1,0,0,0,0|2,0,0]=4 1797 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [1,1,0,0,0,0|2,0,0]=4 1798 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [1,1,0,0,0,0|2,0,0]=4 1799 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [1,1,0,0,0,0|1,0,0]=3 1800 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [1,1,0,0,0,0|0,0,0]=2 1801 B10R0.81 CCCOC(=O)C(C)N(C)C 2230a_100102631434_100000760410 [1,1,0,0,0,0|2,0,0]=4 1802 B10R0.81 CCCOC(=O)C(C)N(C)C 269982a_100102631434_100000760410 [1,1,0,0,0,0|2,0,0]=4 1803 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [1,1,0,0,0,0|2,0,0]=4 1804 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [1,1,0,0,0,0|2,0,0]=4 1805 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [1,1,0,0,0,0|2,0,0]=4 1806 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [1,1,0,0,0,0|2,0,0]=4 1807 B10R0.122 CCCOC(C)(C)CC(=O)C 7a_100000210262_100000210303 [1,1,0,0,0,0|1,0,1]=4 1808 B10R0.26 C=CCC(=O)NC(C)C(C)C 11a_100000211541_100000210193 [1,1,0,0,0,0|1,0,1]=4 1809 B10R0.26 C=CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210193 [1,1,0,0,0,0|1,0,1]=4 1810 B10R0.26 C=CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210193 [1,1,0,0,0,0|1,0,1]=4 1811 B10R0.26 C=CCC(=O)NC(C)C(C)C 527a_100000211541_100000210193 [1,1,0,0,0,0|1,0,1]=4 1812 B10R0.26 CC=CC(=O)NC(C)C(C)C 11a_100000211541_100000210699 [1,1,0,0,0,0|1,0,1]=4 1813 B10R0.26 CC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000210699 [1,1,0,0,0,0|1,0,1]=4 1814 B10R0.26 CC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000210699 [1,1,0,0,0,0|1,0,1]=4 1815 B10R0.26 CCCC(=O)NC(C)C(C)C 11a_100000211541_100000211992 [1,1,0,0,0,0|1,0,1]=4 1816 B10R0.26 CCCC(=O)NC(C)C(C)C 1626a_100000211541_100000211992 [1,1,0,0,0,0|1,0,1]=4 1817 B10R0.26 CCCC(=O)NC(C)C(C)C 240690a_100000211541_100000211992 [1,1,0,0,0,0|1,0,1]=4 1818 B10R0.26 CCCC(=O)NC(C)C(C)C 527a_100000211541_100000211992 [1,1,0,0,0,0|1,0,1]=4 1819 B10R0.26 COCC(=O)NC(C)C(C)C 11a_100000211541_100000210968 [1,1,0,0,0,0|2,0,0]=4 1820 B10R0.26 COCC(=O)NC(C)C(C)C 1626a_100000211541_100000210968 [1,1,0,0,0,0|2,0,0]=4 1821 B10R0.26 COCC(=O)NC(C)C(C)C 240690a_100000211541_100000210968 [1,1,0,0,0,0|2,0,0]=4 1822 B10R0.26 COCC(=O)NC(C)C(C)C 527a_100000211541_100000210968 [1,1,0,0,0,0|2,0,0]=4 1823 B10R0.26 CSCC(=O)NC(C)C(C)C 11a_100000211541_100000184570 [1,1,0,0,0,0|2,0,0]=4 1824 B10R0.26 CSCC(=O)NC(C)C(C)C 1626a_100000211541_100000184570 [1,1,0,0,0,0|2,0,0]=4 1825 B10R0.26 CSCC(=O)NC(C)C(C)C 240690a_100000211541_100000184570 [1,1,0,0,0,0|2,0,0]=4 1826 B10R0.26 CSCC(=O)NC(C)C(C)C 527a_100000211541_100000184570 [1,1,0,0,0,0|2,0,0]=4 1827 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [1,1,0,0,0,0|1,0,1]=4 1828 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100020587367 [1,1,0,0,0,0|1,0,1]=4 1829 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100020587367 [1,1,0,0,0,0|1,0,1]=4 1830 B10R0.57 C=CC(C)C(=O)CCC(C)C 1458a_100011216780_100000210312 [1,1,0,0,0,0|1,0,1]=4 1831 B10R0.57 C=CC(C)C(=O)NCC(C)C 11a_100000210953_100011216780 [1,1,0,0,0,0|1,0,1]=4 1832 B10R0.57 C=CC(C)C(=O)NCC(C)C 1626a_100000210953_100011216780 [1,1,0,0,0,0|1,0,1]=4 1833 B10R0.57 C=CC(C)C(=O)NCC(C)C 240690a_100000210953_100011216780 [1,1,0,0,0,0|1,0,1]=4 1834 B10R0.57 C=CC(C)C(=O)NCC(C)C 527a_100000210953_100011216780 [1,1,0,0,0,0|1,0,1]=4 1835 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 2230a_100025753496_200025704644 [1,1,0,0,0,0|2,0,0]=4 1836 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 34a_100025753496_200025704644 [1,1,0,0,0,0|2,0,0]=4 1837 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_100000230289_200025704644 [1,1,0,0,0,0|2,0,0]=4 1838 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_200025704644_100000230289 [1,1,0,0,0,0|2,0,0]=4 1839 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [1,1,0,0,0,0|1,0,1]=4 1840 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [1,1,0,0,0,0|1,0,1]=4 1841 B10R0.57 CCC(C)C(=O)NCC(C)C 11a_100000210953_100011192722 [1,1,0,0,0,0|1,0,1]=4 1842 B10R0.57 CCC(C)C(=O)NCC(C)C 1626a_100000210953_100011192722 [1,1,0,0,0,0|1,0,1]=4 1843 B10R0.57 CCC(C)C(=O)NCC(C)C 240690a_100000210953_100011192722 [1,1,0,0,0,0|1,0,1]=4 1844 B10R0.57 CCC(C)C(=O)NCC(C)C 527a_100000210953_100011192722 [1,1,0,0,0,0|1,0,1]=4 1845 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [1,1,0,0,0,0|1,0,1]=4 1846 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [1,1,0,0,0,0|1,0,1]=4 1847 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_100025753496_200000210301 [1,1,0,0,0,0|2,0,0]=4 1848 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_106832991635_100000230289 [1,1,0,0,0,0|2,0,0]=4 1849 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100025753496_200000210301 [1,1,0,0,0,0|2,0,0]=4 1850 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100102657272_100000230289 [1,1,0,0,0,0|2,0,0]=4 1851 B10R0.57 CNC(C)C(=O)NCC(C)C 7a_106832991635_100000230289 [1,1,0,0,0,0|2,0,0]=4 1852 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [1,1,0,0,0,0|2,0,0]=4 1853 B10R0.57 COC(C)C(=O)NCC(C)C 11a_100000210953_100000743197 [1,1,0,0,0,0|2,0,0]=4 1854 B10R0.57 COC(C)C(=O)NCC(C)C 1626a_100000210953_100000743197 [1,1,0,0,0,0|2,0,0]=4 1855 B10R0.57 COC(C)C(=O)NCC(C)C 240690a_100000210953_100000743197 [1,1,0,0,0,0|2,0,0]=4 1856 B10R0.57 COC(C)C(=O)NCC(C)C 34a_100138415774_100000230289 [1,1,0,0,0,0|2,0,0]=4 1857 B10R0.57 COC(C)C(=O)NCC(C)C 527a_100000210953_100000743197 [1,1,0,0,0,0|2,0,0]=4 1858 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [1,1,0,0,0,0|2,0,0]=4 1859 B10R0.57 CSC(C)C(=O)NCC(C)C 11a_100000210953_100000149566 [1,1,0,0,0,0|2,0,0]=4 1860 B10R0.57 CSC(C)C(=O)NCC(C)C 1626a_100000210953_100000149566 [1,1,0,0,0,0|2,0,0]=4 1861 B10R0.57 CSC(C)C(=O)NCC(C)C 240690a_100000210953_100000149566 [1,1,0,0,0,0|2,0,0]=4 1862 B10R0.57 CSC(C)C(=O)NCC(C)C 527a_100000210953_100000149566 [1,1,0,0,0,0|2,0,0]=4 1863 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_100000230289_200000210301 [1,1,0,0,0,0|2,0,0]=4 1864 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_200000210301_100000230289 [1,1,0,0,0,0|2,0,0]=4 1865 B10R0.78 C/C=C/CC(=O)C=CC(C)C 1458a_100016268746_100102629194 [1,1,0,0,0,0|1,0,1]=4 1866 B10R0.78 C/C=C/CC(=O)CCC(C)C 1458a_100000181311_100102629194 [1,1,0,0,0,0|1,0,0]=3 1867 B10R0.78 C/C=C/CC(=O)CC[S+](C)C 1458a_100009452791_100102629194 [1,1,0,0,0,0|2,0,0]=4 1868 B10R0.78 C/C=C/CC(=O)COC(C)C 1458a_100000745533_100102629194 [1,1,0,0,0,0|2,0,0]=4 1869 B10R0.78 C/C=C/CC(=O)CSC(C)C 1458a_100000241585_100102629194 [1,1,0,0,0,0|2,0,0]=4 1870 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [1,1,0,0,0,0|1,0,1]=4 1871 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [1,1,0,0,0,0|1,0,1]=4 1872 B10R0.78 C=CCCC(=O)NCC(C)C 11a_100000210953_100000749702 [1,1,0,0,0,0|1,0,1]=4 1873 B10R0.78 C=CCCC(=O)NCC(C)C 1626a_100000210953_100000749702 [1,1,0,0,0,0|1,0,1]=4 1874 B10R0.78 C=CCCC(=O)NCC(C)C 240690a_100000210953_100000749702 [1,1,0,0,0,0|1,0,1]=4 1875 B10R0.78 C=CCCC(=O)NCC(C)C 527a_100000210953_100000749702 [1,1,0,0,0,0|1,0,1]=4 1876 B10R0.78 C=CCNC(=O)CCC(C)C 1626a_100020586998_100000181311 [1,1,0,0,0,0|1,0,1]=4 1877 B10R0.78 C=CCNC(=O)CCC(C)C 240690a_100020586998_100000181311 [1,1,0,0,0,0|1,0,1]=4 1878 B10R0.78 C=CCNC(=O)CCC(C)C 527a_100020586998_100000181311 [1,1,0,0,0,0|1,0,1]=4 1879 B10R0.78 C=CCNC(=O)NCC(C)C 2708a_100000210953_100020586998 [1,1,0,0,0,0|1,0,1]=4 1880 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100000210953_100020586998 [1,1,0,0,0,0|1,0,1]=4 1881 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100020586998_100000210953 [1,1,0,0,0,0|1,0,1]=4 1882 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100000210953_100020586998 [1,1,0,0,0,0|1,0,1]=4 1883 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100020586998_100000210953 [1,1,0,0,0,0|1,0,1]=4 1884 B10R0.78 CC#CCC(=O)CCC(C)C 1458a_100000181311_100000748600 [1,1,0,0,0,0|1,0,1]=4 1885 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [1,1,0,0,0,0|1,0,1]=4 1886 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [1,1,0,0,0,0|1,0,1]=4 1887 B10R0.78 CC(C)CNC(=O)CSCF 62a_100000183291_100015361967 [1,1,0,0,0,0|2,0,0]=4 1888 B10R0.78 CC(C)CNC(=O)CSCF 62a_100015361967_100000183291 [1,1,0,0,0,0|2,0,0]=4 1889 B10R0.78 CC=CCC(=O)C=CC(C)C 1458a_100016268746_100000070051 [1,1,0,0,0,0|1,0,1]=4 1890 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100000181311_100000070051 [1,1,0,0,0,0|1,0,0]=3 1891 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100121576822_100000210312 [1,1,0,0,0,0|1,0,0]=3 1892 B10R0.78 CC=CCC(=O)CCC(C)O 1458a_100121576822_100012276601 [1,1,0,0,0,0|2,0,0]=4 1893 B10R0.78 CC=CCC(=O)CC[S+](C)C 1458a_100009452791_100000070051 [1,1,0,0,0,0|2,0,0]=4 1894 B10R0.78 CC=CCC(=O)COC(C)C 1458a_100000745533_100000070051 [1,1,0,0,0,0|2,0,0]=4 1895 B10R0.78 CC=CCC(=O)CSC(C)C 1458a_100000241585_100000070051 [1,1,0,0,0,0|2,0,0]=4 1896 B10R0.78 CC=CCC(=O)NCC(C)C 11a_100000210953_100121576822 [1,1,0,0,0,0|1,0,0]=3 1897 B10R0.78 CC=CCC(=O)NCC(C)C 1626a_100000210953_100121576822 [1,1,0,0,0,0|1,0,0]=3 1898 B10R0.78 CC=CCC(=O)NCC(C)C 240690a_100000210953_100121576822 [1,1,0,0,0,0|1,0,0]=3 1899 B10R0.78 CC=CCC(=O)NCC(C)C 527a_100000210953_100121576822 [1,1,0,0,0,0|1,0,0]=3 1900 B10R0.78 CC=CCC(=O)NCC(C)O 11a_100000210904_100121576822 [1,1,0,0,0,0|2,0,0]=4 1901 B10R0.78 CC=CCC(=O)NCC(C)O 240690a_100000210904_100121576822 [1,1,0,0,0,0|2,0,0]=4 1902 B10R0.78 CC=CCC(=O)NCC(C)O 527a_100000210904_100121576822 [1,1,0,0,0,0|2,0,0]=4 1903 B10R0.78 CC=CCC(=O)NNC(C)C 22a_100000741168_100121576822 [1,1,0,0,0,0|2,0,0]=4 1904 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [1,1,0,0,0,0|1,0,1]=4 1905 B10R0.78 CCC=CC(=O)NCC(C)C 11a_100000210953_100000212282 [1,1,0,0,0,0|1,0,1]=4 1906 B10R0.78 CCC=CC(=O)NCC(C)C 1626a_100000210953_100000212282 [1,1,0,0,0,0|1,0,1]=4 1907 B10R0.78 CCC=CC(=O)NCC(C)C 240690a_100000210953_100000212282 [1,1,0,0,0,0|1,0,1]=4 1908 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [1,1,0,0,0,0|1,0,1]=4 1909 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [1,1,0,0,0,0|1,0,1]=4 1910 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [1,1,0,0,0,0|1,0,1]=4 1911 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [1,1,0,0,0,0|1,0,1]=4 1912 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [1,1,0,0,0,0|1,0,1]=4 1913 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [1,1,0,0,0,0|1,0,1]=4 1914 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [1,1,0,0,0,0|1,0,1]=4 1915 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [1,1,0,0,0,0|1,0,1]=4 1916 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [1,1,0,0,0,0|1,0,1]=4 1917 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [1,1,0,0,0,0|1,0,1]=4 1918 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100000210953_100020643023 [1,1,0,0,0,0|1,0,1]=4 1919 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100020643023_100000210953 [1,1,0,0,0,0|1,0,1]=4 1920 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100000210953_100020643023 [1,1,0,0,0,0|1,0,1]=4 1921 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100020643023_100000210953 [1,1,0,0,0,0|1,0,1]=4 1922 B10R0.78 CCCNC(=O)NCC(C)C 512a_100000210953_100020643023 [1,1,0,0,0,0|1,0,1]=4 1923 B10R0.78 CCCNC(=O)NCC(C)C 512a_100020643023_100000210953 [1,1,0,0,0,0|1,0,1]=4 1924 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [1,1,0,0,0,0|1,0,1]=4 1925 B10R0.78 CCNCC(=O)NCC(C)C 2230a_100015525214_100000183291 [1,1,0,0,0,0|1,0,1]=4 1926 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [1,1,0,0,0,0|1,0,1]=4 1927 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [1,1,0,0,0,0|1,0,1]=4 1928 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [1,1,0,0,0,0|1,0,1]=4 1929 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [1,1,0,0,0,0|1,0,1]=4 1930 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [1,1,0,0,0,0|1,0,1]=4 1931 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [1,1,0,0,0,0|1,0,1]=4 1932 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [1,1,0,0,0,0|1,0,1]=4 1933 B10R0.78 CCSCC(=O)NCC(C)C 11a_100000210953_100000230394 [1,1,0,0,0,0|1,0,1]=4 1934 B10R0.78 CCSCC(=O)NCC(C)C 1626a_100000210953_100000230394 [1,1,0,0,0,0|1,0,1]=4 1935 B10R0.78 CCSCC(=O)NCC(C)C 240690a_100000210953_100000230394 [1,1,0,0,0,0|1,0,1]=4 1936 B10R0.78 CCSCC(=O)NCC(C)C 527a_100000210953_100000230394 [1,1,0,0,0,0|1,0,1]=4 1937 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000183291_100000210202 [1,1,0,0,0,0|1,0,1]=4 1938 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000210202_100000183291 [1,1,0,0,0,0|1,0,1]=4 1939 B10R0.78 COC=CC(=O)CCC(C)C 1458a_100016268678_100000210312 [1,1,0,0,0,0|1,0,1]=4 1940 B10R0.78 COC=CC(=O)NCC(C)C 1626a_100000210953_100016268678 [1,1,0,0,0,0|1,0,1]=4 1941 B10R0.78 COC=CC(=O)NCC(C)C 240690a_100000210953_100016268678 [1,1,0,0,0,0|1,0,1]=4 1942 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [1,1,0,0,0,0|1,0,1]=4 1943 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [1,1,0,0,0,0|1,0,1]=4 1944 B10R0.78 COCCC(=O)NCC(C)C 11a_100000210953_100000749529 [1,1,0,0,0,0|1,0,1]=4 1945 B10R0.78 COCCC(=O)NCC(C)C 1626a_100000210953_100000749529 [1,1,0,0,0,0|1,0,1]=4 1946 B10R0.78 COCCC(=O)NCC(C)C 240690a_100000210953_100000749529 [1,1,0,0,0,0|1,0,1]=4 1947 B10R0.78 COCCC(=O)NCC(C)C 527a_100000210953_100000749529 [1,1,0,0,0,0|1,0,1]=4 1948 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [1,1,0,0,0,0|1,0,1]=4 1949 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [1,1,0,0,0,0|1,0,1]=4 1950 B10R0.78 CSCCC(=O)NCC(C)C 11a_100000210953_100000174002 [1,1,0,0,0,0|1,0,1]=4 1951 B10R0.78 CSCCC(=O)NCC(C)C 1626a_100000210953_100000174002 [1,1,0,0,0,0|1,0,1]=4 1952 B10R0.78 CSCCC(=O)NCC(C)C 240690a_100000210953_100000174002 [1,1,0,0,0,0|1,0,1]=4 1953 B10R0.78 CSCCC(=O)NCC(C)C 527a_100000210953_100000174002 [1,1,0,0,0,0|1,0,1]=4 1954 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [1,1,0,0,0,0|1,0,1]=4 1955 B10R0.108 C=CCC(=O)NCC(C)CC 11a_100020588543_100000210193 [1,1,0,0,0,0|1,0,1]=4 1956 B10R0.108 C=CCC(=O)NCC(C)CC 1626a_100020588543_100000210193 [1,1,0,0,0,0|1,0,1]=4 1957 B10R0.108 C=CCC(=O)NCC(C)CC 240690a_100020588543_100000210193 [1,1,0,0,0,0|1,0,1]=4 1958 B10R0.108 C=CCC(=O)NCC(C)CC 527a_100020588543_100000210193 [1,1,0,0,0,0|1,0,1]=4 1959 B10R0.108 C=CCC(=O)NCC(C)CO 240690a_100000744482_100000210193 [1,1,0,0,0,0|1,0,1]=4 1960 B10R0.108 C=CCC(=O)NCC(C)CO 527a_100000744482_100000210193 [1,1,0,0,0,0|1,0,1]=4 1961 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210193 [1,1,0,0,0,0|1,0,1]=4 1962 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210193 [1,1,0,0,0,0|1,0,1]=4 1963 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210193 [1,1,0,0,0,0|1,0,1]=4 1964 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210193 [1,1,0,0,0,0|1,0,1]=4 1965 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [1,1,0,0,0,0|1,0,1]=4 1966 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [1,1,0,0,0,0|1,0,1]=4 1967 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [1,1,0,0,0,0|1,0,1]=4 1968 B10R0.108 CC=CC(=O)NCC(C)CO 240690a_100000744482_100000210699 [1,1,0,0,0,0|1,0,1]=4 1969 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000210699 [1,1,0,0,0,0|1,0,1]=4 1970 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210699 [1,1,0,0,0,0|1,0,1]=4 1971 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210699 [1,1,0,0,0,0|1,0,1]=4 1972 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 1973 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 1974 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 1975 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 1976 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 1977 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 1978 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 1979 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 1980 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|1,0,1]=4 1981 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [1,1,0,0,0,0|1,0,1]=4 1982 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [1,1,0,0,0,0|1,0,1]=4 1983 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [1,1,0,0,0,0|1,0,1]=4 1984 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [1,1,0,0,0,0|1,0,1]=4 1985 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [1,1,0,0,0,0|1,0,1]=4 1986 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [1,1,0,0,0,0|1,0,1]=4 1987 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [1,1,0,0,0,0|1,0,1]=4 1988 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [1,1,0,0,0,0|1,0,1]=4 1989 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [1,1,0,0,0,0|1,0,1]=4 1990 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [1,1,0,0,0,0|1,0,1]=4 1991 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [1,1,0,0,0,0|1,0,1]=4 1992 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [1,1,0,0,0,0|1,0,1]=4 1993 B10R0.108 COCC(=O)NCC(C)CO 240690a_100000744482_100000210968 [1,1,0,0,0,0|2,0,0]=4 1994 B10R0.108 COCC(=O)NCC(C)CO 527a_100000744482_100000210968 [1,1,0,0,0,0|2,0,0]=4 1995 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [1,1,0,0,0,0|2,0,0]=4 1996 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [1,1,0,0,0,0|2,0,0]=4 1997 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [1,1,0,0,0,0|2,0,0]=4 1998 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [1,1,0,0,0,0|2,0,0]=4 1999 B10R0.108 CO[C@H](C)CNC(=O)CSC 11a_100020591295_100000184570 [1,1,0,0,0,0|2,0,0]=4 2000 B10R0.108 CO[C@H](C)CNC(=O)CSC 1626a_100020591295_100000184570 [1,1,0,0,0,0|2,0,0]=4 2001 B10R0.108 CO[C@H](C)CNC(=O)CSC 240690a_100020591295_100000184570 [1,1,0,0,0,0|2,0,0]=4 2002 B10R0.108 CO[C@H](C)CNC(=O)CSC 527a_100020591295_100000184570 [1,1,0,0,0,0|2,0,0]=4 2003 B10R0.108 CSCC(=O)NCC(C)CO 240690a_100000744482_100000184570 [1,1,0,0,0,0|2,0,0]=4 2004 B10R0.108 CSCC(=O)NCC(C)CO 527a_100000744482_100000184570 [1,1,0,0,0,0|2,0,0]=4 2005 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000210193_100000755188 [1,1,0,0,0,0|1,0,1]=4 2006 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210623 [1,1,0,0,0,0|1,0,1]=4 2007 B10R0.109 C=CCC(=O)NCC(C)(C)C 11a_100000743828_100000210193 [1,1,0,0,0,0|1,0,1]=4 2008 B10R0.109 C=CCC(=O)NCC(C)(C)C 1626a_100000743828_100000210193 [1,1,0,0,0,0|1,0,1]=4 2009 B10R0.109 C=CCC(=O)NCC(C)(C)C 240690a_100000743828_100000210193 [1,1,0,0,0,0|1,0,1]=4 2010 B10R0.109 C=CCC(=O)NCC(C)(C)C 527a_100000743828_100000210193 [1,1,0,0,0,0|1,0,1]=4 2011 B10R0.109 C=CCC(=O)NCC(C)(C)F 11a_100020643315_100000210193 [1,1,0,0,0,0|1,0,1]=4 2012 B10R0.109 C=CCC(=O)NCC(C)(C)F 1626a_100020643315_100000210193 [1,1,0,0,0,0|1,0,1]=4 2013 B10R0.109 C=CCC(=O)NCC(C)(C)F 240690a_100020643315_100000210193 [1,1,0,0,0,0|1,0,1]=4 2014 B10R0.109 C=CCC(=O)NCC(C)(C)F 527a_100020643315_100000210193 [1,1,0,0,0,0|1,0,1]=4 2015 B10R0.109 C=CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210193 [1,1,0,0,0,0|1,0,1]=4 2016 B10R0.109 C=CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210193 [1,1,0,0,0,0|1,0,1]=4 2017 B10R0.109 C=CCC(=O)NCC(C)(C)O 527a_100000751335_100000210193 [1,1,0,0,0,0|1,0,1]=4 2018 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200010402935_200025704644 [1,1,0,0,0,0|1,0,0]=3 2019 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200025704644_200010402935 [1,1,0,0,0,0|1,0,0]=3 2020 B10R0.109 CC=CC(=O)CCC(C)(C)C 1458a_100000210699_100000755188 [1,1,0,0,0,0|1,0,1]=4 2021 B10R0.109 CC=CC(=O)NCC(C)(C)C 11a_100000743828_100000210699 [1,1,0,0,0,0|1,0,1]=4 2022 B10R0.109 CC=CC(=O)NCC(C)(C)C 1626a_100000743828_100000210699 [1,1,0,0,0,0|1,0,1]=4 2023 B10R0.109 CC=CC(=O)NCC(C)(C)C 240690a_100000743828_100000210699 [1,1,0,0,0,0|1,0,1]=4 2024 B10R0.109 CC=CC(=O)NCC(C)(C)F 11a_100020643315_100000210699 [1,1,0,0,0,0|1,0,1]=4 2025 B10R0.109 CC=CC(=O)NCC(C)(C)F 1626a_100020643315_100000210699 [1,1,0,0,0,0|1,0,1]=4 2026 B10R0.109 CC=CC(=O)NCC(C)(C)F 240690a_100020643315_100000210699 [1,1,0,0,0,0|1,0,1]=4 2027 B10R0.109 CC=CC(=O)NCC(C)(C)O 1626a_100000751335_100000210699 [1,1,0,0,0,0|1,0,1]=4 2028 B10R0.109 CC=CC(=O)NCC(C)(C)O 240690a_100000751335_100000210699 [1,1,0,0,0,0|1,0,1]=4 2029 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [1,1,0,0,0,0|1,0,1]=4 2030 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [1,1,0,0,0,0|1,0,1]=4 2031 B10R0.109 CCCC(=O)NCC(C)(C)C 11a_100000743828_100000211992 [1,1,0,0,0,0|1,0,1]=4 2032 B10R0.109 CCCC(=O)NCC(C)(C)C 1626a_100000743828_100000211992 [1,1,0,0,0,0|1,0,1]=4 2033 B10R0.109 CCCC(=O)NCC(C)(C)C 240690a_100000743828_100000211992 [1,1,0,0,0,0|1,0,1]=4 2034 B10R0.109 CCCC(=O)NCC(C)(C)C 527a_100000743828_100000211992 [1,1,0,0,0,0|1,0,1]=4 2035 B10R0.109 CCCC(=O)NCC(C)(C)F 11a_100020643315_100000211992 [1,1,0,0,0,0|1,0,1]=4 2036 B10R0.109 CCCC(=O)NCC(C)(C)F 1626a_100020643315_100000211992 [1,1,0,0,0,0|1,0,1]=4 2037 B10R0.109 CCCC(=O)NCC(C)(C)F 240690a_100020643315_100000211992 [1,1,0,0,0,0|1,0,1]=4 2038 B10R0.109 CCCC(=O)NCC(C)(C)F 527a_100020643315_100000211992 [1,1,0,0,0,0|1,0,1]=4 2039 B10R0.109 CCCC(=O)NCC(C)(C)O 1626a_100000751335_100000211992 [1,1,0,0,0,0|1,0,1]=4 2040 B10R0.109 CCCC(=O)NCC(C)(C)O 240690a_100000751335_100000211992 [1,1,0,0,0,0|1,0,1]=4 2041 B10R0.109 CCCC(=O)NCC(C)(C)O 527a_100000751335_100000211992 [1,1,0,0,0,0|1,0,1]=4 2042 B10R0.109 CNCC(=O)OCC(C)(C)C 2230a_106832991635_200010402935 [1,1,0,0,0,0|1,0,0]=3 2043 B10R0.109 CNCC(=O)OCC(C)(C)C 34a_100102657272_200010402935 [1,1,0,0,0,0|1,0,0]=3 2044 B10R0.109 CNCC(=O)OCC(C)(C)C 7a_106832991635_200010402935 [1,1,0,0,0,0|1,0,0]=3 2045 B10R0.109 COCC(=O)CCC(C)(C)C 1458a_100000210968_100000755188 [1,1,0,0,0,0|2,0,0]=4 2046 B10R0.109 COCC(=O)NCC(C)(C)C 11a_100000743828_100000210968 [1,1,0,0,0,0|2,0,0]=4 2047 B10R0.109 COCC(=O)NCC(C)(C)C 1626a_100000743828_100000210968 [1,1,0,0,0,0|2,0,0]=4 2048 B10R0.109 COCC(=O)NCC(C)(C)C 240690a_100000743828_100000210968 [1,1,0,0,0,0|2,0,0]=4 2049 B10R0.109 COCC(=O)NCC(C)(C)C 527a_100000743828_100000210968 [1,1,0,0,0,0|2,0,0]=4 2050 B10R0.109 COCC(=O)NCC(C)(C)F 11a_100020643315_100000210968 [1,1,0,0,0,0|2,0,0]=4 2051 B10R0.109 COCC(=O)NCC(C)(C)F 1626a_100020643315_100000210968 [1,1,0,0,0,0|2,0,0]=4 2052 B10R0.109 COCC(=O)NCC(C)(C)F 240690a_100020643315_100000210968 [1,1,0,0,0,0|2,0,0]=4 2053 B10R0.109 COCC(=O)NCC(C)(C)F 527a_100020643315_100000210968 [1,1,0,0,0,0|2,0,0]=4 2054 B10R0.109 COCC(=O)NCC(C)(C)O 1626a_100000751335_100000210968 [1,1,0,0,0,0|2,0,0]=4 2055 B10R0.109 COCC(=O)NCC(C)(C)O 240690a_100000751335_100000210968 [1,1,0,0,0,0|2,0,0]=4 2056 B10R0.109 COCC(=O)NCC(C)(C)O 527a_100000751335_100000210968 [1,1,0,0,0,0|2,0,0]=4 2057 B10R0.109 COCC(=O)OCC(C)(C)C 34a_100138415774_200010402935 [1,1,0,0,0,0|1,0,0]=3 2058 B10R0.109 CSCC(=O)CCC(C)(C)C 1458a_100000184570_100000755188 [1,1,0,0,0,0|2,0,0]=4 2059 B10R0.109 CSCC(=O)NCC(C)(C)C 11a_100000743828_100000184570 [1,1,0,0,0,0|2,0,0]=4 2060 B10R0.109 CSCC(=O)NCC(C)(C)C 1626a_100000743828_100000184570 [1,1,0,0,0,0|2,0,0]=4 2061 B10R0.109 CSCC(=O)NCC(C)(C)C 240690a_100000743828_100000184570 [1,1,0,0,0,0|2,0,0]=4 2062 B10R0.109 CSCC(=O)NCC(C)(C)C 527a_100000743828_100000184570 [1,1,0,0,0,0|2,0,0]=4 2063 B10R0.109 CSCC(=O)NCC(C)(C)F 11a_100020643315_100000184570 [1,1,0,0,0,0|2,0,0]=4 2064 B10R0.109 CSCC(=O)NCC(C)(C)F 1626a_100020643315_100000184570 [1,1,0,0,0,0|2,0,0]=4 2065 B10R0.109 CSCC(=O)NCC(C)(C)F 240690a_100020643315_100000184570 [1,1,0,0,0,0|2,0,0]=4 2066 B10R0.109 CSCC(=O)NCC(C)(C)F 527a_100020643315_100000184570 [1,1,0,0,0,0|2,0,0]=4 2067 B10R0.109 CSCC(=O)NCC(C)(C)O 1626a_100000751335_100000184570 [1,1,0,0,0,0|2,0,0]=4 2068 B10R0.109 CSCC(=O)NCC(C)(C)O 240690a_100000751335_100000184570 [1,1,0,0,0,0|2,0,0]=4 2069 B10R0.109 CSCC(=O)NCC(C)(C)O 527a_100000751335_100000184570 [1,1,0,0,0,0|2,0,0]=4 2070 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200000210301_200010402935 [1,1,0,0,0,0|1,0,0]=3 2071 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200010402935_200000210301 [1,1,0,0,0,0|1,0,0]=3 2072 B10R0.15 C=C(C)CCOCC(C)(C)C 34a_100000764851_100011219605 [1,1,0,0,0,0|1,0,1]=4 2073 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000716592_100000730704 [1,1,0,0,0,0|1,0,1]=4 2074 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000764851_100011997219 [1,1,0,0,0,0|1,0,1]=4 2075 B10R0.15 C=C(C)CCOCC(C)(C)O 34a_100000764851_100000764493 [1,1,0,0,0,0|1,0,1]=4 2076 B10R0.15 CC(=O)CCOCC(C)(C)C 34a_100000759926_100011219605 [1,1,0,0,0,0|0,0,1]=3 2077 B10R0.15 CC(=O)CCOCC(C)(C)F 34a_100000759926_100011997219 [1,1,0,0,0,0|0,0,1]=3 2078 B10R0.15 CC(=O)CCOCC(C)(C)O 34a_100000759926_100000764493 [1,1,0,0,0,0|0,0,1]=3 2079 B10R0.15 CC(=O)CCOCC(C)(C)O 7a_100000759926_100000764493 [1,1,0,0,0,0|0,0,1]=3 2080 B10R0.15 CC(=O)CCOC[Si](C)(C)C 7a_100000759926_100000233785 [1,1,0,0,0,0|0,1,1]=4 2081 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100000053229_100011219605 [1,1,0,0,0,0|0,1,1]=4 2082 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100011219605_100000053229 [1,1,0,0,0,0|0,1,1]=4 2083 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100000053229_100011997219 [1,1,0,0,0,0|0,1,1]=4 2084 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100011997219_100000053229 [1,1,0,0,0,0|0,1,1]=4 2085 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000053229_100000764493 [1,1,0,0,0,0|0,1,1]=4 2086 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000764493_100000053229 [1,1,0,0,0,0|0,1,1]=4 2087 B10R0.15 CC(=O)COCCC(C)(C)C 34a_100000211253_100000755188 [1,1,0,0,0,0|2,0,0]=4 2088 B10R0.15 CC(=O)COCCC(C)(C)O 34a_100000211253_100000702414 [1,1,0,0,0,0|2,0,0]=4 2089 B10R0.15 CC(=O)OCOCC(C)(C)F 34a_100000716592_100009813279 [1,1,0,0,0,0|1,0,1]=4 2090 B10R0.15 CC(C)(C)COCCC(=O)N 34a_100000757172_100011219605 [1,1,0,0,0,0|1,0,1]=4 2091 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000716592_100000731001 [1,1,0,0,0,0|1,0,1]=4 2092 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000757172_100011997219 [1,1,0,0,0,0|1,0,1]=4 2093 B10R0.15 CC(C)(O)COCCC(=O)N 34a_100000757172_100000764493 [1,1,0,0,0,0|1,0,1]=4 2094 B10R0.15 CC(C)(O)COCCC(=O)N 7a_100000757172_100000764493 [1,1,0,0,0,0|1,0,1]=4 2095 B10R0.15 CC(C)COCCS(=O)(=O)C 34a_100000210257_100000731031 [1,1,0,0,0,0|1,0,1]=4 2096 B10R0.15 CC(C)COCCS(=O)(=O)C 34a_100000211924_100000210624 [1,1,0,0,0,0|1,0,1]=4 2097 B10R0.15 CC(C)COCCS(=O)(=O)C 7a_100000211924_100000210760 [1,1,0,0,0,0|1,0,1]=4 2098 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [1,1,0,0,0,0|1,0,1]=4 2099 B10R0.55 C=C(C)CCOCC(C)CN 34a_100000744482_100000730704 [1,1,0,0,0,0|1,0,1]=4 2100 B10R0.55 C=C(C)CCOCC(C)OC 34a_100000690652_100000730704 [1,1,0,0,0,0|1,0,1]=4 2101 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [1,1,0,0,0,0|1,0,1]=4 2102 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [1,1,0,0,0,0|1,0,1]=4 2103 B10R0.55 C=C(C)CCOC[C@@H](C)CO 34a_100000764851_100000059175 [1,1,0,0,0,0|1,0,1]=4 2104 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [1,1,0,0,0,0|0,0,2]=4 2105 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [1,1,0,0,0,0|1,0,1]=4 2106 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [1,1,0,0,0,0|1,0,1]=4 2107 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [1,1,0,0,0,0|0,0,1]=3 2108 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [1,1,0,0,0,0|0,0,1]=3 2109 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [1,1,0,0,0,0|1,0,1]=4 2110 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [1,1,0,0,0,0|1,0,1]=4 2111 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [1,1,0,0,0,0|1,0,1]=4 2112 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [1,1,0,0,0,0|1,0,1]=4 2113 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [1,1,0,0,0,0|0,1,1]=4 2114 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [1,1,0,0,0,0|0,1,1]=4 2115 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [1,1,0,0,0,0|1,0,1]=4 2116 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [1,1,0,0,0,0|1,0,1]=4 2117 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [1,1,0,0,0,0|1,0,1]=4 2118 B10R0.55 CC(CN)COCCC(=O)N 34a_100000744482_100000731001 [1,1,0,0,0,0|1,0,1]=4 2119 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [1,1,0,0,0,0|1,0,1]=4 2120 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [1,1,0,0,0,0|1,0,1]=4 2121 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [1,1,0,0,0,0|2,0,0]=4 2122 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [1,1,0,0,0,0|2,0,0]=4 2123 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [1,1,0,0,0,0|2,0,0]=4 2124 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [1,1,0,0,0,0|2,0,0]=4 2125 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,1,0,0,0,0|0,0,1]=3 2126 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,1,0,0,0,0|0,0,1]=3 2127 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [1,1,0,0,0,0|1,0,1]=4 2128 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [1,1,0,0,0,0|1,0,1]=4 2129 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [1,1,0,0,0,0|0,1,1]=4 2130 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [1,1,0,0,0,0|0,1,1]=4 2131 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,1,0,0,0,0|1,0,1]=4 2132 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,1,0,0,0,0|1,0,1]=4 2133 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,1,0,0,0,0|0,0,1]=3 2134 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,1,0,0,0,0|0,0,1]=3 2135 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,1,0,0,0,0|0,0,1]=3 2136 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [1,1,0,0,0,0|1,0,1]=4 2137 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [1,1,0,0,0,0|1,0,1]=4 2138 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [1,1,0,0,0,0|1,0,1]=4 2139 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [1,1,0,0,0,0|0,1,1]=4 2140 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [1,1,0,0,0,0|0,1,1]=4 2141 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [1,1,0,0,0,0|1,0,1]=4 2142 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [1,1,0,0,0,0|1,0,1]=4 2143 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [1,1,0,0,0,0|1,0,1]=4 2144 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [1,1,0,0,0,0|1,0,1]=4 2145 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [1,1,0,0,0,0|1,0,1]=4 2146 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [1,1,0,0,0,0|1,0,1]=4 2147 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [1,1,0,0,0,0|1,0,1]=4 2148 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [1,1,0,0,0,0|1,0,1]=4 2149 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [1,1,0,0,0,0|1,0,1]=4 2150 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [1,1,0,0,0,0|1,0,1]=4 2151 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [1,1,0,0,0,0|0,0,1]=3 2152 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [1,1,0,0,0,0|0,0,1]=3 2153 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [1,1,0,0,0,0|1,0,1]=4 2154 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [1,1,0,0,0,0|1,0,1]=4 2155 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [1,1,0,0,0,0|1,0,1]=4 2156 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [1,1,0,0,0,0|1,0,1]=4 2157 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [1,1,0,0,0,0|1,0,1]=4 2158 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [1,1,0,0,0,0|0,1,1]=4 2159 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [1,1,0,0,0,0|0,1,1]=4 2160 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [1,1,0,0,0,0|2,0,0]=4 2161 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [1,1,0,0,0,0|2,0,0]=4 2162 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [1,1,0,0,0,0|2,0,0]=4 2163 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [1,1,0,0,0,0|2,0,0]=4 2164 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [1,1,0,0,0,0|2,0,0]=4 2165 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [1,1,0,0,0,0|2,0,0]=4 2166 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [1,1,0,0,0,0|2,0,0]=4 2167 B10R0.55 COC(=O)CC=NNC(C)C 4a_100000741168_200011552997 [1,1,0,0,0,0|2,0,0]=4 2168 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [1,1,0,0,0,0|1,0,1]=4 2169 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [1,1,0,0,0,0|1,0,1]=4 2170 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [1,1,0,0,0,0|1,0,1]=4 2171 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [1,1,0,0,0,0|0,0,1]=3 2172 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [1,1,0,0,0,0|1,0,1]=4 2173 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [1,1,0,0,0,0|1,0,1]=4 2174 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [1,1,0,0,0,0|1,0,1]=4 2175 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [1,1,0,0,0,0|0,1,1]=4 2176 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [1,1,0,0,0,0|0,1,1]=4 2177 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [1,1,0,0,0,0|2,0,0]=4 2178 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [1,1,0,0,0,0|2,0,0]=4 2179 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [1,1,0,0,0,0|2,0,0]=4 2180 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [1,1,0,0,0,0|2,0,0]=4 2181 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [1,1,0,0,0,0|1,0,1]=4 2182 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [1,1,0,0,0,0|1,0,1]=4 2183 B10R0.55 C[C@@H](CO)COCCC(=O)N 34a_100000757172_100000059175 [1,1,0,0,0,0|1,0,1]=4 2184 B10R0.55 C[C@@H](CO)COCCC(=O)N 7a_100000757172_100000059175 [1,1,0,0,0,0|1,0,1]=4 2185 B10R0.98 C=C(C)CCOC(C)C(C)C 7a_100000748068_100000730704 [1,1,0,0,0,0|1,0,1]=4 2186 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [1,1,0,0,0,0|0,0,2]=4 2187 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [1,1,0,0,0,0|0,0,1]=3 2188 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [1,1,0,0,0,0|0,0,1]=3 2189 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [1,1,0,0,0,0|1,0,1]=4 2190 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [1,1,0,0,0,0|1,0,1]=4 2191 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [1,1,0,0,0,0|1,0,1]=4 2192 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [1,1,0,0,0,0|1,0,1]=4 2193 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [1,1,0,0,0,0|2,0,0]=4 2194 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [1,1,0,0,0,0|2,0,0]=4 2195 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [1,1,0,0,0,0|2,0,0]=4 2196 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [1,1,0,0,0,0|2,0,0]=4 2197 B10R0.98 CC(=O)CCOC(C)C(C)C 7a_100000748068_100000053229 [1,1,0,0,0,0|0,0,1]=3 2198 B10R0.98 CC(C)C(C)OCCC(=O)N 7a_100000748068_100000744528 [1,1,0,0,0,0|1,0,1]=4 2199 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [1,1,0,0,0,0|1,0,1]=4 2200 B10R0.13 C=C(C)C(=O)C(C)CC(C)C 1458a_100000185857_100000731052 [0,1,0,0,1,0|2,0,0]=4 2201 B10R0.13 C=C(C)C(=O)N(C)CC(C)C 11a_100000747067_100000185857 [0,1,0,0,1,0|2,0,0]=4 2202 B10R0.13 C=C(C)C(=O)N(C)CC(C)C 1626a_100000747067_100000185857 [0,1,0,0,1,0|2,0,0]=4 2203 B10R0.13 CC(C)CN(C)C(=O)C(=O)N 240690a_100000747067_100011215815 [0,1,0,0,1,0|2,0,0]=4 2204 B10R0.43 CC(=O)C(C)(C)OCC(C)C 34a_100000747739_100000210624 [0,1,0,0,1,0|1,0,1]=4 2205 B10R0.43 CC(=O)C(C)(C)OCC(C)C 7a_100000747739_100000210760 [0,1,0,0,1,0|1,0,1]=4 2206 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,1,0,0,1,0|2,0,0]=4 2207 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,1,0,0,1,0|2,0,0]=4 2208 B10R0.82 C=C(C)C(=O)NCC(C)OC 34a_100000065599_200000210301 [0,1,0,0,1,0|2,0,0]=4 2209 B10R0.82 C=C(C)C(=O)NCC(C)O[13CH3] 34a_100000065599_200025704644 [0,1,0,0,1,0|2,0,0]=4 2210 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100000185857 [0,1,0,0,1,0|2,0,0]=4 2211 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000185857 [0,1,0,0,1,0|2,0,0]=4 2212 B10R0.82 C=C(C)C(=O)OCC(C)OC 7a_100000061822_200000210301 [0,1,0,0,1,0|1,0,0]=3 2213 B10R0.82 C=C(C)C(=O)OCC(C)O[13CH3] 7a_100000061822_200025704644 [0,1,0,0,1,0|1,0,0]=3 2214 B10R0.82 CC(=O)C(=O)COC(C)CF 34a_100016041109_100011261029 [0,1,0,0,1,0|2,0,0]=4 2215 B10R0.82 CC(=O)C(=O)COC(C)CN 34a_100000210904_100011261029 [0,1,0,0,1,0|2,0,0]=4 2216 B10R0.82 CC(=O)C(=O)CSC(C)CO 62a_100012180447_100011261029 [0,1,0,0,1,0|2,0,0]=4 2217 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100011261029_100016084084 [0,1,0,0,1,0|2,0,0]=4 2218 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100016084084_100011261029 [0,1,0,0,1,0|2,0,0]=4 2219 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,1,0,0,1,0|1,0,1]=4 2220 B10R0.82 CC(CO)CNC(=O)C(=O)N 240690a_100000744482_100011215815 [0,1,0,0,1,0|2,0,0]=4 2221 B10R0.82 CCC(C)CNC(=O)C(=O)N 240690a_100020588543_100011215815 [0,1,0,0,1,0|2,0,0]=4 2222 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,1,0,0,1,0|1,0,1]=4 2223 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,1,0,0,1,0|2,0,0]=4 2224 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,1,0,0,1,0|2,0,0]=4 2225 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,1,0,0,1,0|1,0,1]=4 2226 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,1,0,0,1,0|1,0,1]=4 2227 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100009879195_100011261029 [0,1,0,0,1,0|2,0,0]=4 2228 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100011261029_100009879195 [0,1,0,0,1,0|2,0,0]=4 2229 B10R0.82 CO[C@H](C)CNC(=O)C(=O)N 240690a_100020591295_100011215815 [0,1,0,0,1,0|2,0,0]=4 2230 B10R0.92 C=C(C)C(=O)CCC(C)(C)C 1458a_100000185857_100000755188 [0,1,0,0,1,0|2,0,0]=4 2231 B10R0.92 C=C(C)C(=O)NCC(C)(C)C 11a_100000743828_100000185857 [0,1,0,0,1,0|2,0,0]=4 2232 B10R0.92 C=C(C)C(=O)NCC(C)(C)C 1626a_100000743828_100000185857 [0,1,0,0,1,0|2,0,0]=4 2233 B10R0.92 C=C(C)C(=O)NCC(C)(C)F 11a_100020643315_100000185857 [0,1,0,0,1,0|2,0,0]=4 2234 B10R0.92 C=C(C)C(=O)NCC(C)(C)F 1626a_100020643315_100000185857 [0,1,0,0,1,0|2,0,0]=4 2235 B10R0.92 C=C(C)C(=O)NCC(C)(C)O 1626a_100000751335_100000185857 [0,1,0,0,1,0|2,0,0]=4 2236 B10R0.92 CC(=O)C(=O)COC(C)(C)C 34a_100015890283_100011261029 [0,1,0,0,1,0|2,0,0]=4 2237 B10R0.92 CC(=O)C(=O)CSC(C)(C)C 62a_100000211941_100011261029 [0,1,0,0,1,0|2,0,0]=4 2238 B10R0.92 CC(=O)C(=O)CSC(C)(C)C 62a_100011261029_100000211941 [0,1,0,0,1,0|2,0,0]=4 2239 B10R0.92 CC(=O)C(C)OCC(C)(C)C 34a_100000212229_100011219605 [0,1,0,0,1,0|1,0,1]=4 2240 B10R0.92 CC(=O)C(C)OCC(C)(C)F 34a_100000212229_100011997219 [0,1,0,0,1,0|1,0,1]=4 2241 B10R0.92 CC(=O)C(C)OCC(C)(C)O 34a_100000212229_100000764493 [0,1,0,0,1,0|1,0,1]=4 2242 B10R0.92 CC(C)(C)CNC(=O)C(=O)N 240690a_100000743828_100011215815 [0,1,0,0,1,0|2,0,0]=4 2243 B10R0.92 CC(C)(F)CNC(=O)C(=O)N 240690a_100020643315_100011215815 [0,1,0,0,1,0|2,0,0]=4 2244 B10R0.92 CC(C)(O)CNC(=O)C(=O)N 240690a_100000751335_100011215815 [0,1,0,0,1,0|2,0,0]=4 2245 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 11a_100000211541_100000185857 [0,1,0,0,1,0|2,0,0]=4 2246 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 1626a_100000211541_100000185857 [0,1,0,0,1,0|2,0,0]=4 2247 B10R0.93 CC(=O)C(=O)CC(=O)C(C)C 1458a_100000210198_100011261029 [0,1,0,0,1,0|1,0,1]=4 2248 B10R0.93 CC(=O)C(=O)CN(C)C(C)C 269982a_200000211004_100011261029 [0,1,0,0,1,0|2,0,0]=4 2249 B10R0.93 CC(=O)C(C)OC(C)C(C)C 7a_100000748068_100000179758 [0,1,0,0,1,0|1,0,1]=4 2250 B10R0.93 CC(C)C(C)NC(=O)C(=O)N 240690a_100000211541_100011215815 [0,1,0,0,1,0|2,0,0]=4 2251 B10R0.31 C=C(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000748629 [0,1,0,0,1,0|1,0,0]=3 2252 B10R0.31 C=C(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748629 [0,1,0,0,1,0|1,0,0]=3 2253 B10R0.31 C=C(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000748629 [0,1,0,0,1,0|2,0,0]=4 2254 B10R0.31 C=C(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000748629 [0,1,0,0,1,0|1,1,0]=4 2255 B10R0.31 C=C(F)CC(=O)CC(C)(C)C 1458a_100000211214_100009893438 [0,1,0,0,1,0|1,0,1]=4 2256 B10R0.31 C=C(F)CC(=O)CC(C)(C)O 1458a_100000693243_100009893438 [0,1,0,0,1,0|1,0,1]=4 2257 B10R0.31 CC(=O)CC(=O)NC(C)(C)C 1458a_100000070787_100000182746 [0,1,0,0,1,0|1,0,0]=3 2258 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_200000210301 [0,1,0,0,1,0|0,0,0]=2 2259 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000070787_100000183872 [0,1,0,0,1,0|0,0,0]=2 2260 B10R0.31 CC(=O)CC(=O)O[Si](C)(C)C 1458a_100000070787_200009813336 [0,1,0,0,1,0|0,1,0]=3 2261 B10R0.31 CC(=O)CC(C)CC(C)(C)C 1458a_100000239893_200000210301 [0,1,0,0,1,0|1,0,1]=4 2262 B10R0.31 CC(C)(C)CC(=O)CC(=O)N 1458a_100000211214_100000187820 [0,1,0,0,1,0|1,0,0]=3 2263 B10R0.31 CC(C)(C)CC(=O)CC(=O)[O-] 1458a_100000211214_100020667443 [0,1,0,0,1,0|1,0,0]=3 2264 B10R0.31 CC(C)(C)CC(=O)C[N+](=O)[O-] 1458a_100000211214_100000761209 [0,1,0,0,1,0|2,0,0]=4 2265 B10R0.31 CC(C)(C)NC(=O)CC(=O)N 240690a_100000715429_100134613110 [0,1,0,0,1,0|2,0,0]=4 2266 B10R0.31 CC(C)(C)NC(=O)CC(=O)N 527a_100000715429_100134613110 [0,1,0,0,1,0|2,0,0]=4 2267 B10R0.31 CC(C)(C)OC(=O)CC(=O)[13CH3] 1458a_100000033093_200025704644 [0,1,0,0,1,0|0,0,0]=2 2268 B10R0.31 CC(C)(O)CC(=O)CC(=O)N 1458a_100000693243_100000187820 [0,1,0,0,1,0|1,0,0]=3 2269 B10R0.31 CC(C)(O)CC(=O)CC(=O)[O-] 1458a_100000693243_100020667443 [0,1,0,0,1,0|1,0,0]=3 2270 B10R0.31 CC(C)(O)CC(=O)C[N+](=O)[O-] 1458a_100000693243_100000761209 [0,1,0,0,1,0|2,0,0]=4 2271 B10R0.31 CC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000210624 [0,1,0,0,1,0|1,0,1]=4 2272 B10R0.31 CC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000210624 [0,1,0,0,1,0|0,0,2]=4 2273 B10R0.31 CC(C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000210624 [0,1,0,0,1,0|1,0,0]=3 2274 B10R0.31 CC(C)CC(=O)CS(=O)(=O)N 1458a_100000210554_100000741382 [0,1,0,0,1,0|2,0,0]=4 2275 B10R0.31 CC(C)CC(=O)CS(=O)(=O)[O-] 1458a_100000210554_100009817235 [0,1,0,0,1,0|2,0,0]=4 2276 B10R0.31 CC(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000210624 [0,1,0,0,1,0|2,0,0]=4 2277 B10R0.31 CC(C)CC(=O)C[Si](C)(C)C 1458a_100000210554_100000233785 [0,1,0,0,1,0|1,1,0]=4 2278 B10R0.31 CC(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000210624 [0,1,0,0,1,0|1,1,0]=4 2279 B10R0.31 CC(C)CC(=O)NS(=O)(=O)C 2740a_100000171171_100000210554 [0,1,0,0,1,0|2,0,0]=4 2280 B10R0.31 CC(C)NC(=O)CS(=O)(=O)C 11a_100138425928_100000744497 [0,1,0,0,1,0|2,0,0]=4 2281 B10R0.31 CC(C)NC(=O)CS(=O)(=O)C 240690a_100138425928_100000744497 [0,1,0,0,1,0|2,0,0]=4 2282 B10R0.31 CC(C)NC(=O)CS(=O)(=O)C 527a_100138425928_100000744497 [0,1,0,0,1,0|2,0,0]=4 2283 B10R0.31 CC(CC(=O)[13CH3])CC(C)(C)C 1458a_100000239893_200025704644 [0,1,0,0,1,0|1,0,1]=4 2284 B10R0.31 CC(O)CC(=O)CC(C)(C)C 1458a_100000211214_100011218427 [0,1,0,0,1,0|0,0,2]=4 2285 B10R0.31 CC(O)CC(=O)CC(C)(C)O 1458a_100000693243_100011218427 [0,1,0,0,1,0|0,0,2]=4 2286 B10R0.31 CC(O)CC(=O)CS(=O)(=O)C 1458a_100000744497_100011218427 [0,1,0,0,1,0|2,0,0]=4 2287 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100000725589_200000210301 [0,1,0,0,1,0|2,0,0]=4 2288 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100102631434_100000183872 [0,1,0,0,1,0|2,0,0]=4 2289 B10R0.31 CN([13CH3])CC(=O)OC(C)(C)C 2230a_100000725589_200025704644 [0,1,0,0,1,0|2,0,0]=4 2290 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)N 1458a_100000033712_100000187820 [0,1,0,0,1,0|2,0,0]=4 2291 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)[O-] 1458a_100000033712_100020667443 [0,1,0,0,1,0|2,0,0]=4 2292 B10R0.31 C[Si](C)(C)CC(=O)CC(=O)N 1458a_100011218504_100000187820 [0,1,0,0,1,0|1,1,0]=4 2293 B10R0.31 C[Si](C)(C)CC(=O)CC(=O)N 1458a_100134613110_100000233785 [0,1,0,0,1,0|1,1,0]=4 2294 B10R0.31 C[Si](C)(C)CC(=O)CC(=O)[O-] 1458a_100011218504_100020667443 [0,1,0,0,1,0|1,1,0]=4 2295 B10R0.165 CC(=O)CC(C)(C)OC(C)C 7a_100000210262_100000210206 [0,1,0,0,1,0|1,0,1]=4 2296 B10R0.165 CC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_200000210301 [0,1,0,0,1,0|1,0,0]=3 2297 B10R0.165 CC(=O)NS(=O)(=O)CC(C)C 2740a_100000748329_100015343762 [0,1,0,0,1,0|2,0,0]=4 2298 B10R0.165 CC(C)CS(=O)(=O)CC(=O)[13CH3] 1458a_200000740652_200025704644 [0,1,0,0,1,0|1,0,0]=3 2299 B12R0.3 CC(=O)NC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183797 [0,1,0,0,0,1|2,0,0]=4 2300 B12R0.3 CC(=O)NC(=O)CN(C)CC(C)C 269982a_100000747067_100000183797 [0,1,0,0,0,1|2,0,0]=4 2301 B12R0.3 CC(C)CC(C)NC(=O)CC(=O)N 240690a_100000692259_100134613110 [0,1,0,0,0,1|2,0,0]=4 2302 B12R0.3 CC(C)CC(C)NC(=O)CC(=O)N 527a_100000692259_100134613110 [0,1,0,0,0,1|2,0,0]=4 2303 B12R0.66 CC(=O)NC(=O)CSCC(C)(C)C 62a_100011219605_100000183797 [0,1,0,0,0,1|1,1,0]=4 2304 B12R0.66 CC(=O)NC(=O)CSCC(C)(C)F 62a_100011997219_100000183797 [0,1,0,0,0,1|1,1,0]=4 2305 B12R0.66 CC(=O)NC(=O)CSCC(C)(C)O 62a_100000764493_100000183797 [0,1,0,0,0,1|1,1,0]=4 2306 B12R0.66 CC(C)(C)CCNC(=O)CC(=O)N 240690a_100000738805_100134613110 [0,1,0,0,0,1|2,0,0]=4 2307 B12R0.66 CC(C)(C)CCNC(=O)CC(=O)N 527a_100000738805_100134613110 [0,1,0,0,0,1|2,0,0]=4 2308 B12R0.66 CC(C)(F)CCNC(=O)CC(=O)N 240690a_100016253952_100134613110 [0,1,0,0,0,1|2,0,0]=4 2309 B12R0.66 CC(C)(F)CCNC(=O)CC(=O)N 527a_100016253952_100134613110 [0,1,0,0,0,1|2,0,0]=4 2310 B12R0.66 CC(C)(O)CCNC(=O)CC(=O)N 527a_100000707701_100134613110 [0,1,0,0,0,1|2,0,0]=4 2311 B12R0.140 CC(C)CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011214892 [0,1,0,0,0,1|2,0,0]=4 2312 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C 11a_100000210545_100000744497 [0,1,0,0,0,1|2,0,0]=4 2313 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C 240690a_100000210545_100000744497 [0,1,0,0,0,1|2,0,0]=4 2314 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C 527a_100000210545_100000744497 [0,1,0,0,0,1|2,0,0]=4 2315 B12R0.140 CC(C)CNNC(=O)CS(=O)(=O)C 22a_100000696102_100000744497 [0,1,0,0,0,1|2,0,0]=4 2316 B12R0.140 CC(C)COCC(=O)CS(=O)(=O)N 1458a_100011223364_100000741382 [0,1,0,0,0,1|2,0,0]=4 2317 B12R0.140 CC(C)COCC(=O)CS(=O)(=O)[O-] 1458a_100011223364_100009817235 [0,1,0,0,0,1|2,0,0]=4 2318 B12R0.140 CC(C)COCC(=O)C[Si](C)(C)C 1458a_100011223364_100000233785 [0,1,0,0,0,1|1,1,0]=4 2319 B12R0.140 CC(C)COCC(=O)NS(=O)(=O)C 2740a_100000171171_100011223364 [0,1,0,0,0,1|2,0,0]=4 2320 B12R0.140 CC(C)NCOC(=O)CC(C)(C)C 2230a_100138425928_200010999194 [0,1,0,0,0,1|1,0,1]=4 2321 B12R0.140 CC(C)NCOC(=O)CC(C)(C)C 34a_100138425928_200010999194 [0,1,0,0,0,1|1,0,1]=4 2322 B12R0.140 CC(C)OCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000211751 [0,1,0,0,0,1|2,0,0]=4 2323 B12R0.140 CC(C)OCOC(=O)CC(C)(C)C 34a_100000212225_200010999194 [0,1,0,0,0,1|1,0,1]=4 2324 B12R0.140 CC(C)SCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000730970 [0,1,0,0,0,1|2,0,0]=4 2325 B12R0.140 CC(C)SCOC(=O)CC(C)(C)C 62a_100000210206_200010999194 [0,1,0,0,0,1|1,0,1]=4 2326 B12R0.140 CC(C)SCOC(=O)CC(C)(C)C 62a_200010999194_100000210206 [0,1,0,0,0,1|1,0,1]=4 2327 B12R0.240 C=C(C#N)CC(=O)COCC(C)C 1458a_100011223364_100000694840 [0,1,0,0,0,1|1,0,1]=4 2328 B12R0.240 CC(C)COCC(=O)C[C@@H](C)CO 1458a_100011223364_100000059175 [0,1,0,0,0,1|0,0,2]=4 2329 B12R0.240 CCC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000747405 [0,1,0,0,0,1|1,0,1]=4 2330 B12R0.240 CCC(=O)CC(=O)C=CCN(C)C 1458a_100000754359_100000747405 [0,1,0,0,0,1|2,0,0]=4 2331 B12R0.240 CCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747405 [0,1,0,0,0,1|1,0,0]=3 2332 B12R0.240 CCC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747405 [0,1,0,0,0,1|0,0,0]=2 2333 B12R0.240 CCC(C)CC(=O)COCC(C)C 1458a_100011223364_100000748023 [0,1,0,0,0,1|1,0,1]=4 2334 B12R0.240 CCC(O)CC(=O)COCC(C)C 1458a_100011223364_100011218378 [0,1,0,0,0,1|0,0,2]=4 2335 B12R0.240 CC[C@H](C)CC(=O)COCC(C)C 1458a_100011223364_100009816398 [0,1,0,0,0,1|1,0,1]=4 2336 B12R0.240 CNC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000183359 [0,1,0,0,0,1|1,0,1]=4 2337 B12R0.240 CNC(=O)CC(=O)C=CCN(C)C 1458a_100000754359_100000183359 [0,1,0,0,0,1|2,0,0]=4 2338 B12R0.240 CNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183359 [0,1,0,0,0,1|1,0,0]=3 2339 B12R0.240 CNC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000183359 [0,1,0,0,0,1|0,0,0]=2 2340 B12R0.240 COC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000747449 [0,1,0,0,0,1|1,0,1]=4 2341 B12R0.240 COC(=O)CC(=O)C=CCN(C)C 1458a_100000754359_100000747449 [0,1,0,0,0,1|2,0,0]=4 2342 B12R0.240 COC(=O)CC(=O)CCC=C(C)C 1458a_100000211351_100011217483 [0,1,0,0,0,1|1,0,1]=4 2343 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100000211351_100011214892 [0,1,0,0,0,1|1,0,0]=3 2344 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747449 [0,1,0,0,0,1|1,0,0]=3 2345 B12R0.240 COC(=O)CC(=O)CCCC(C)O 1458a_100000211351_200000718107 [0,1,0,0,0,1|2,0,0]=4 2346 B12R0.240 COC(=O)CC(=O)CCCN(C)C 1458a_100000211351_100000695564 [0,1,0,0,0,1|2,0,0]=4 2347 B12R0.240 COC(=O)CC(=O)CCOC(C)C 1458a_100000211351_100000211751 [0,1,0,0,0,1|1,0,0]=3 2348 B12R0.240 COC(=O)CC(=O)CCSC(C)C 1458a_100000211351_100000730970 [0,1,0,0,0,1|1,0,0]=3 2349 B12R0.240 COC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747449 [0,1,0,0,0,1|0,0,0]=2 2350 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210525_100000210760 [0,1,0,0,0,1|0,1,0]=3 2351 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210525 [0,1,0,0,0,1|0,1,0]=3 2352 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100000210525_100011218427 [0,1,0,0,0,1|1,1,0]=4 2353 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100011218427_100000210525 [0,1,0,0,0,1|1,1,0]=4 2354 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100000210525_100009817552 [0,1,0,0,0,1|1,1,0]=4 2355 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100009817552_100000210525 [0,1,0,0,0,1|1,1,0]=4 2356 B12R0.240 COC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000211351 [0,1,0,0,0,1|1,0,0]=3 2357 B12R0.240 COC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000211351 [0,1,0,0,0,1|2,0,0]=4 2358 B12R0.240 COC(=O)CC(=O)NCCN(C)C 240690a_100000210585_100000211351 [0,1,0,0,0,1|2,0,0]=4 2359 B12R0.240 COC(=O)CC(=O)NNCC(C)C 22a_100000696102_100000211351 [0,1,0,0,0,1|1,0,0]=3 2360 B12R0.240 COC(=O)CC(=O)NNCC(C)O 22a_200000730056_100000211351 [0,1,0,0,0,1|2,0,0]=4 2361 B12R0.240 COC(=O)CC(C)OCCC(C)C 34a_100000210254_100009817358 [0,1,0,0,0,1|1,0,1]=4 2362 B12R0.240 COC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817358 [0,1,0,0,0,1|1,0,1]=4 2363 B12R0.240 COC(=O)C[C@@H](O)COCC(C)C 34a_100000210257_100000754131 [0,1,0,0,0,1|0,0,2]=4 2364 B12R0.240 COC(=O)NC(=O)CSCC(C)C 62a_100000210624_100000010850 [0,1,0,0,0,1|1,1,0]=4 2365 B12R0.241 C=CC(C)COCC(=O)NC(=O)C 7a_100011215527_100000183797 [0,1,0,0,0,1|1,0,1]=4 2366 B12R0.241 CC(=O)CC(=O)OCCC(=O)CO 1458a_100000210174_100000102702 [0,1,0,0,0,1|1,0,1]=4 2367 B12R0.241 CC(=O)NC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183797 [0,1,0,0,0,1|1,1,0]=4 2368 B12R0.241 CC(CO)CCNC(=O)CC(=O)N 240690a_106354213184_100134613110 [0,1,0,0,0,1|2,0,0]=4 2369 B12R0.241 CC(CO)CCNC(=O)CC(=O)N 527a_106354213184_100134613110 [0,1,0,0,0,1|2,0,0]=4 2370 B12R0.241 CCC(=O)CCOC(=O)CC(=O)C 1458a_100000210414_100000102702 [0,1,0,0,0,1|1,0,1]=4 2371 B12R0.241 CCC(C)CCNC(=O)CC(=O)N 240690a_100020591266_100134613110 [0,1,0,0,0,1|2,0,0]=4 2372 B12R0.241 CCC(C)CCNC(=O)CC(=O)N 527a_100020591266_100134613110 [0,1,0,0,0,1|2,0,0]=4 2373 B12R0.241 CCC(C)CSCC(=O)NC(=O)C 62a_100000748023_100000183797 [0,1,0,0,0,1|1,1,0]=4 2374 B12R0.241 CCN(C)CCOC(=O)CC(=O)C 269982a_100000225621_100000102702 [0,1,0,0,0,1|1,0,0]=3 2375 B12R0.241 CC[C@H](C)COCC(=O)NC(=O)C 7a_100009816381_100000183797 [0,1,0,0,0,1|1,0,0]=3 2376 B12R0.241 CC[C@H](C)COCC(=O)NC(=O)N 7a_100009816381_100000182717 [0,1,0,0,0,1|2,0,0]=4 2377 B12R0.241 CC[C@H](C)CSCC(=O)NC(=O)C 62a_100009816398_100000183797 [0,1,0,0,0,1|1,1,0]=4 2378 B12R0.258 C=C(C)CC(=O)C(=O)NCC(C)C 1458a_200011297155_100000748629 [0,1,0,0,0,1|2,0,0]=4 2379 B12R0.258 CC(C)CCC(C)C(=O)CC(=O)N 1458a_100134613110_100011261404 [0,1,0,0,0,1|2,0,0]=4 2380 B12R0.258 CC(C)CCN(C)C(=O)CC(=O)N 240690a_100000742789_100134613110 [0,1,0,0,0,1|2,0,0]=4 2381 B12R0.258 CC(C)CCN(C)C(=O)CC(=O)N 527a_100000742789_100134613110 [0,1,0,0,0,1|2,0,0]=4 2382 B12R0.258 CC(C)CNC(=O)C(=O)CC(=O)N 1458a_200011297155_100000187820 [0,1,0,0,0,1|2,0,0]=4 2383 B12R0.258 CC(C)CNC(=O)C(=O)CC(=O)[O-] 1458a_200011297155_100020667443 [0,1,0,0,0,1|2,0,0]=4 2384 B12R0.686 CC(=O)C(C)C(=O)C/C=C/C(C)C 1458a_100016292215_100000179758 [0,1,0,0,0,1|1,0,1]=4 2385 B12R0.686 CC(=O)C(C)C(=O)C=CCN(C)C 1458a_100000754359_100000179758 [0,1,0,0,0,1|2,0,0]=4 2386 B12R0.686 CC(=O)C(C)C(=O)CCCC(C)C 1458a_100011216857_100000179758 [0,1,0,0,0,1|1,0,0]=3 2387 B12R0.686 CC(=O)C(C)C(=O)COCC(C)C 1458a_100011223364_100000179758 [0,1,0,0,0,1|0,0,0]=2 2388 B12R0.686 CC(=O)C(C)C(=O)NCCC(C)C 1458a_100000070787_100000735922 [0,1,0,0,0,1|1,0,0]=3 2389 B12R0.686 CC(C)CCCC(=O)C(C)C(=O)N 1458a_100011216857_100000702099 [0,1,0,0,0,1|2,0,0]=4 2390 B12R0.686 CC(C)CCCC(=O)C(F)C(=O)N 1458a_100011216857_100009813875 [0,1,0,0,0,1|2,0,0]=4 2391 B12R0.686 CC(C)CCCC(=O)C(F)C(=O)[O-] 1458a_100011216857_100020610796 [0,1,0,0,0,1|2,0,0]=4 2392 B12R0.686 CC(C)COCC(=O)C(C)C(=O)N 1458a_100011223364_100000702099 [0,1,0,0,0,1|1,0,0]=3 2393 B12R0.686 CC(C)COCC(=O)C(F)C(=O)N 1458a_100011223364_100009813875 [0,1,0,0,0,1|1,0,0]=3 2394 B12R0.686 CC(C)COCC(=O)C(F)C(=O)[O-] 1458a_100011223364_100020610796 [0,1,0,0,0,1|1,0,0]=3 2395 B12R0.687 C=C(C)CC(=O)CCN(C)C(C)C 1458a_100015184040_100000748629 [0,1,0,0,0,1|2,0,0]=4 2396 B12R0.687 CC(=O)CC(=O)NNC(=O)C(C)C 1458a_100000070787_100000102125 [0,1,0,0,0,1|1,0,1]=4 2397 B12R0.687 CC(=O)NC(=O)COC(C)C(C)C 7a_100000748068_100000183797 [0,1,0,0,0,1|1,0,0]=3 2398 B12R0.687 CC(C)C(=O)OCC(=O)CC(=O)N 1458a_100134613110_100000139345 [0,1,0,0,0,1|1,0,1]=4 2399 B12R0.687 CC(C)C(C)OCC(=O)NC(=O)N 7a_100000748068_100000182717 [0,1,0,0,0,1|2,0,0]=4 2400 B12R0.687 CC(C)C(O)CNC(=O)CC(=O)N 240690a_100000759067_100134613110 [0,1,0,0,0,1|2,0,0]=4 2401 B12R0.687 CC(C)C(O)CNC(=O)CC(=O)N 527a_100000759067_100134613110 [0,1,0,0,0,1|2,0,0]=4 2402 B12R0.687 CC(C)N(C)CCC(=O)CC(=O)N 1458a_100015184040_100000187820 [0,1,0,0,0,1|2,0,0]=4 2403 B12R0.687 CC(C)N(C)CCC(=O)CC(=O)[O-] 1458a_100015184040_100020667443 [0,1,0,0,0,1|2,0,0]=4 2404 B12R0.697 CC(=O)CC(C)(C)OCCC(C)C 7a_100000210262_100000210626 [0,1,0,0,0,1|1,0,1]=4 2405 B12R0.139 C=C(C)C(=O)CC(=O)NCC(C)C 1458a_100000185857_100000183291 [0,1,0,0,0,1|2,0,0]=4 2406 B12R0.139 C=C(C)CCC(=O)NC(C)C(C)C 11a_100000211541_200000688413 [0,1,0,0,0,1|2,0,0]=4 2407 B12R0.139 C=C(C)CCC(=O)NC(C)C(C)C 1626a_100000211541_200000688413 [0,1,0,0,0,1|2,0,0]=4 2408 B12R0.139 C=C(C)CCC(=O)NC(C)C(C)C 240690a_100000211541_200000688413 [0,1,0,0,0,1|2,0,0]=4 2409 B12R0.139 C=C(C)CCC(=O)NC(C)C(C)C 527a_100000211541_200000688413 [0,1,0,0,0,1|2,0,0]=4 2410 B12R0.139 C=C(C)CNC(=O)NC(C)C(C)C 2708a_100000211541_100000765925 [0,1,0,0,0,1|2,0,0]=4 2411 B12R0.139 C=C(C)CNC(=O)NC(C)C(C)C 2708a_100000765925_100000211541 [0,1,0,0,0,1|2,0,0]=4 2412 B12R0.139 C=C(C)CNC(=O)NC(C)C(C)C 273464a_100000211541_100000765925 [0,1,0,0,0,1|2,0,0]=4 2413 B12R0.139 C=C(C)CNC(=O)NC(C)C(C)C 273464a_100000765925_100000211541 [0,1,0,0,0,1|2,0,0]=4 2414 B12R0.139 C=C(C)CNC(=O)NC(C)C(C)C 512a_100000211541_100000765925 [0,1,0,0,0,1|2,0,0]=4 2415 B12R0.139 C=C(C)CNC(=O)NC(C)C(C)C 512a_100000765925_100000211541 [0,1,0,0,0,1|2,0,0]=4 2416 B12R0.139 CC(=CCC(=O)NC(C)C(C)C)C 11a_100000211541_100011220947 [0,1,0,0,0,1|2,0,0]=4 2417 B12R0.139 CC(=CCC(=O)NC(C)C(C)C)C 1626a_100000211541_100011220947 [0,1,0,0,0,1|2,0,0]=4 2418 B12R0.139 CC(=CCC(=O)NC(C)C(C)C)C 240690a_100000211541_100011220947 [0,1,0,0,0,1|2,0,0]=4 2419 B12R0.139 CC(=CCC(=O)NC(C)C(C)C)C 527a_100000211541_100011220947 [0,1,0,0,0,1|2,0,0]=4 2420 B12R0.139 CC(=O)C(=O)CC(=O)C=CC(C)C 1458a_100016268746_100011261029 [0,1,0,0,0,1|1,0,1]=4 2421 B12R0.139 CC(=O)C(=O)CC(=O)CCC(C)C 1458a_100000181311_100011261029 [0,1,0,0,0,1|1,0,0]=3 2422 B12R0.139 CC(=O)C(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100011261029 [0,1,0,0,0,1|2,0,0]=4 2423 B12R0.139 CC(=O)C(=O)CC(=O)COC(C)C 1458a_100000745533_100011261029 [0,1,0,0,0,1|2,0,0]=4 2424 B12R0.139 CC(=O)C(=O)CC(=O)CSC(C)C 1458a_100000241585_100011261029 [0,1,0,0,0,1|2,0,0]=4 2425 B12R0.139 CC(=O)N(C)CC(=O)CCC(C)C 1458a_100000194957_100000210312 [0,1,0,0,0,1|1,0,0]=3 2426 B12R0.139 CC(=O)N(C)CC(=O)CCC(C)O 1458a_100000194957_100012276601 [0,1,0,0,0,1|2,0,0]=4 2427 B12R0.139 CC(=O)N(C)CC(=O)NCC(C)C 11a_100000210953_100000194957 [0,1,0,0,0,1|1,0,0]=3 2428 B12R0.139 CC(=O)N(C)CC(=O)NCC(C)C 1626a_100000210953_100000194957 [0,1,0,0,0,1|1,0,0]=3 2429 B12R0.139 CC(=O)N(C)CC(=O)NCC(C)C 240690a_100000210953_100000194957 [0,1,0,0,0,1|1,0,0]=3 2430 B12R0.139 CC(=O)N(C)CC(=O)NCC(C)C 527a_100000210953_100000194957 [0,1,0,0,0,1|1,0,0]=3 2431 B12R0.139 CC(=O)N(C)CC(=O)NCC(C)O 11a_100000210904_100000194957 [0,1,0,0,0,1|2,0,0]=4 2432 B12R0.139 CC(=O)N(C)CC(=O)NCC(C)O 240690a_100000210904_100000194957 [0,1,0,0,0,1|2,0,0]=4 2433 B12R0.139 CC(=O)N(C)CC(=O)NCC(C)O 527a_100000210904_100000194957 [0,1,0,0,0,1|2,0,0]=4 2434 B12R0.139 CC(=O)N(C)CC(=O)NNC(C)C 22a_100000741168_100000194957 [0,1,0,0,0,1|2,0,0]=4 2435 B12R0.139 CC(=O)NCC(=O)CC(=O)C(C)C 1458a_100000194580_100000753385 [0,1,0,0,0,1|1,0,1]=4 2436 B12R0.139 CC(=O)NCC(=O)NC(C)C(C)C 11a_100000211541_100000194580 [0,1,0,0,0,1|1,0,0]=3 2437 B12R0.139 CC(=O)NCC(=O)NC(C)C(C)C 1626a_100000211541_100000194580 [0,1,0,0,0,1|1,0,0]=3 2438 B12R0.139 CC(=O)NCC(=O)NC(C)C(C)C 240690a_100000211541_100000194580 [0,1,0,0,0,1|1,0,0]=3 2439 B12R0.139 CC(=O)NCC(=O)NC(C)C(C)C 527a_100000211541_100000194580 [0,1,0,0,0,1|1,0,0]=3 2440 B12R0.139 CC(=O)NNC(=O)NC(C)C(C)C 273464a_100000211541_100000189765 [0,1,0,0,0,1|2,0,0]=4 2441 B12R0.139 CC(=O)NNC(=O)NC(C)C(C)C 512a_100000189765_100000211541 [0,1,0,0,0,1|2,0,0]=4 2442 B12R0.139 CC(=O)OCC(=O)CC(=O)C(C)C 1458a_100000183556_100000753385 [0,1,0,0,0,1|1,0,1]=4 2443 B12R0.139 CC(=O)OCC(=O)CN(C)C(C)C 269982a_200000211004_100000036994 [0,1,0,0,0,1|2,0,0]=4 2444 B12R0.139 CC(=O)OCC(=O)NC(C)C(C)C 1626a_100000211541_100000183556 [0,1,0,0,0,1|1,0,0]=3 2445 B12R0.139 CC(=O)OCC(=O)NC(C)C(C)C 240690a_100000211541_100000183556 [0,1,0,0,0,1|1,0,0]=3 2446 B12R0.139 CC(=O)OCC(=O)NC(C)C(C)C 527a_100000211541_100000183556 [0,1,0,0,0,1|1,0,0]=3 2447 B12R0.139 CC(=O)SCC(=O)CC(=O)C(C)C 1458a_100000049016_100000753385 [0,1,0,0,0,1|1,0,1]=4 2448 B12R0.139 CC(=O)SCC(=O)NC(C)C(C)C 11a_100000211541_100000049016 [0,1,0,0,0,1|1,0,0]=3 2449 B12R0.139 CC(=O)SCC(=O)NC(C)C(C)C 1626a_100000211541_100000049016 [0,1,0,0,0,1|1,0,0]=3 2450 B12R0.139 CC(=O)SCC(=O)NC(C)C(C)C 240690a_100000211541_100000049016 [0,1,0,0,0,1|1,0,0]=3 2451 B12R0.139 CC(C)C(C)NC(=O)CCC(=O)N 240690a_100000211541_100011215257 [0,1,0,0,0,1|2,0,0]=4 2452 B12R0.139 CC(C)C(C)NC(=O)CCC(=O)N 527a_100000211541_100011215257 [0,1,0,0,0,1|2,0,0]=4 2453 B12R0.139 CC(C)C(C)NC(=O)CNC(=O)N 240690a_100000211541_100000184981 [0,1,0,0,0,1|2,0,0]=4 2454 B12R0.139 CC(C)C(C)NC(=O)CNC(=O)N 527a_100000211541_100000184981 [0,1,0,0,0,1|2,0,0]=4 2455 B12R0.139 CC(C)C(C)NC(=O)CSC(=O)N 240690a_100000211541_200015941356 [0,1,0,0,0,1|2,0,0]=4 2456 B12R0.139 CC(C)C(C)NC(=O)NCC(=O)N 2708a_100000211541_100000711301 [0,1,0,0,0,1|2,0,0]=4 2457 B12R0.139 CC(C)C(C)NC(=O)NCC(=O)N 273464a_100000211541_100000711301 [0,1,0,0,0,1|2,0,0]=4 2458 B12R0.139 CC(C)C(C)NC(=O)NCC(=O)N 273464a_100000711301_100000211541 [0,1,0,0,0,1|2,0,0]=4 2459 B12R0.139 CC(C)C(C)NC(=O)NCC(=O)N 512a_100000211541_100000711301 [0,1,0,0,0,1|2,0,0]=4 2460 B12R0.139 CC(C)CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210312 [0,1,0,0,0,1|2,0,0]=4 2461 B12R0.139 CC(C)CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000181311 [0,1,0,0,0,1|2,0,0]=4 2462 B12R0.139 CC(C)CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000181311 [0,1,0,0,0,1|2,0,0]=4 2463 B12R0.139 CC(C)CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000181311 [0,1,0,0,0,1|2,0,0]=4 2464 B12R0.139 CC(C)CNC(=O)CN(C)C(=O)N 240690a_100000210953_100000218718 [0,1,0,0,0,1|2,0,0]=4 2465 B12R0.139 CC(C)CNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100000210953 [0,1,0,0,0,1|2,0,0]=4 2466 B12R0.139 CC(C)CNC(=O)N[C@H](C)C(=O)N 273464a_100000210953_100000119354 [0,1,0,0,0,1|2,0,0]=4 2467 B12R0.139 CC(C)CNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100000210953 [0,1,0,0,0,1|2,0,0]=4 2468 B12R0.139 CC(C)CNC(=O)N[C@H](C)C(=O)N 512a_100000210953_100000119354 [0,1,0,0,0,1|2,0,0]=4 2469 B12R0.189 C=C(C)CCC(=O)CCC(C)CC 1458a_100000701222_100000730704 [0,1,0,0,0,1|2,0,0]=4 2470 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 11a_100020588543_200000688413 [0,1,0,0,0,1|2,0,0]=4 2471 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 1626a_100020588543_200000688413 [0,1,0,0,0,1|2,0,0]=4 2472 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 240690a_100020588543_200000688413 [0,1,0,0,0,1|2,0,0]=4 2473 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 527a_100020588543_200000688413 [0,1,0,0,0,1|2,0,0]=4 2474 B12R0.189 C=C(C)CCC(=O)NCC(C)CO 240690a_100000744482_200000688413 [0,1,0,0,0,1|2,0,0]=4 2475 B12R0.189 C=C(C)CCC(=O)NCC(C)CO 527a_100000744482_200000688413 [0,1,0,0,0,1|2,0,0]=4 2476 B12R0.189 C=C(C)CCC(=O)NC[C@@H](C)OC 11a_100020591295_200000688413 [0,1,0,0,0,1|2,0,0]=4 2477 B12R0.189 C=C(C)CCC(=O)NC[C@@H](C)OC 1626a_100020591295_200000688413 [0,1,0,0,0,1|2,0,0]=4 2478 B12R0.189 C=C(C)CCC(=O)NC[C@@H](C)OC 240690a_100020591295_200000688413 [0,1,0,0,0,1|2,0,0]=4 2479 B12R0.189 C=C(C)CCC(=O)NC[C@@H](C)OC 527a_100020591295_200000688413 [0,1,0,0,0,1|2,0,0]=4 2480 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 11a_100000765925_100000701222 [0,1,0,0,0,1|2,0,0]=4 2481 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 1626a_100000765925_100000701222 [0,1,0,0,0,1|2,0,0]=4 2482 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 240690a_100000765925_100000701222 [0,1,0,0,0,1|2,0,0]=4 2483 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 527a_100000765925_100000701222 [0,1,0,0,0,1|2,0,0]=4 2484 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 2708a_100000765925_100020588543 [0,1,0,0,0,1|2,0,0]=4 2485 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 2708a_100020588543_100000765925 [0,1,0,0,0,1|2,0,0]=4 2486 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 273464a_100000765925_100020588543 [0,1,0,0,0,1|2,0,0]=4 2487 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 273464a_100020588543_100000765925 [0,1,0,0,0,1|2,0,0]=4 2488 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 512a_100000765925_100020588543 [0,1,0,0,0,1|2,0,0]=4 2489 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 512a_100020588543_100000765925 [0,1,0,0,0,1|2,0,0]=4 2490 B12R0.189 C=C(C)CNC(=O)NCC(C)CO 2708a_100000765925_100000744482 [0,1,0,0,0,1|2,0,0]=4 2491 B12R0.189 C=C(C)CNC(=O)NCC(C)CO 273464a_100000744482_100000765925 [0,1,0,0,0,1|2,0,0]=4 2492 B12R0.189 C=C(C)CNC(=O)NCC(C)CO 273464a_100000765925_100000744482 [0,1,0,0,0,1|2,0,0]=4 2493 B12R0.189 C=C(C)CNC(=O)NCC(C)CO 512a_100000744482_100000765925 [0,1,0,0,0,1|2,0,0]=4 2494 B12R0.189 C=C(C)CNC(=O)NCC(C)CO 512a_100000765925_100000744482 [0,1,0,0,0,1|2,0,0]=4 2495 B12R0.189 C=C(C)CNC(=O)NC[C@@H](C)OC 2708a_100000765925_100020591295 [0,1,0,0,0,1|2,0,0]=4 2496 B12R0.189 C=C(C)CNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000765925 [0,1,0,0,0,1|2,0,0]=4 2497 B12R0.189 C=C(C)CNC(=O)NC[C@@H](C)OC 273464a_100000765925_100020591295 [0,1,0,0,0,1|2,0,0]=4 2498 B12R0.189 C=C(C)CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000765925 [0,1,0,0,0,1|2,0,0]=4 2499 B12R0.189 C=C(C)CNC(=O)NC[C@@H](C)OC 512a_100000765925_100020591295 [0,1,0,0,0,1|2,0,0]=4 2500 B12R0.189 C=C(C)CNC(=O)NC[C@@H](C)OC 512a_100020591295_100000765925 [0,1,0,0,0,1|2,0,0]=4 2501 B12R0.189 C=CC(=O)NCC(=O)CCC(C)C 1458a_200011222540_100000210312 [0,1,0,0,0,1|1,0,1]=4 2502 B12R0.189 C=CC(=O)NCC(=O)NCC(C)C 11a_100000210953_200011222540 [0,1,0,0,0,1|1,0,1]=4 2503 B12R0.189 C=CC(=O)NCC(=O)NCC(C)C 240690a_100000210953_200011222540 [0,1,0,0,0,1|1,0,1]=4 2504 B12R0.189 C=CC(=O)NCC(=O)NCC(C)C 527a_100000210953_200011222540 [0,1,0,0,0,1|1,0,1]=4 2505 B12R0.189 CC(=CCC(=O)NCC(C)CO)C 240690a_100000744482_100011220947 [0,1,0,0,0,1|2,0,0]=4 2506 B12R0.189 CC(=CCC(=O)NCC(C)CO)C 527a_100000744482_100011220947 [0,1,0,0,0,1|2,0,0]=4 2507 B12R0.189 CC(=O)NCC(=O)NCC(C)CO 240690a_100000744482_100000194580 [0,1,0,0,0,1|1,0,0]=3 2508 B12R0.189 CC(=O)NCC(=O)NCC(C)CO 527a_100000744482_100000194580 [0,1,0,0,0,1|1,0,0]=3 2509 B12R0.189 CC(=O)NCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000194580 [0,1,0,0,0,1|2,0,0]=4 2510 B12R0.189 CC(=O)NCC(=O)NC[C@@H](F)CO 527a_100015665980_100000194580 [0,1,0,0,0,1|2,0,0]=4 2511 B12R0.189 CC(=O)NCC(=O)NC[C@H](O)CO 240690a_100020644852_100000194580 [0,1,0,0,0,1|2,0,0]=4 2512 B12R0.189 CC(=O)NCC(=O)NC[C@H](O)CO 527a_100020644852_100000194580 [0,1,0,0,0,1|2,0,0]=4 2513 B12R0.189 CC(=O)NNC(=O)NCC(C)CO 273464a_100000744482_100000189765 [0,1,0,0,0,1|2,0,0]=4 2514 B12R0.189 CC(=O)NNC(=O)NCC(C)CO 512a_100000189765_100000744482 [0,1,0,0,0,1|2,0,0]=4 2515 B12R0.189 CC(=O)OCC(=O)COC(C)CF 34a_100016041109_100000036994 [0,1,0,0,0,1|2,0,0]=4 2516 B12R0.189 CC(=O)OCC(=O)COC(C)CN 34a_100000210904_100000036994 [0,1,0,0,0,1|2,0,0]=4 2517 B12R0.189 CC(=O)OCC(=O)CSC(C)CO 62a_100012180447_100000036994 [0,1,0,0,0,1|2,0,0]=4 2518 B12R0.189 CC(=O)OCC(=O)CS[C@H](C)CO 62a_100000036994_100016084084 [0,1,0,0,0,1|2,0,0]=4 2519 B12R0.189 CC(=O)OCC(=O)CS[C@H](C)CO 62a_100016084084_100000036994 [0,1,0,0,0,1|2,0,0]=4 2520 B12R0.189 CC(=O)OCC(=O)NCC(C)CO 240690a_100000744482_100000183556 [0,1,0,0,0,1|1,0,0]=3 2521 B12R0.189 CC(=O)OCC(=O)NCC(C)CO 527a_100000744482_100000183556 [0,1,0,0,0,1|1,0,0]=3 2522 B12R0.189 CC(=O)OCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000183556 [0,1,0,0,0,1|2,0,0]=4 2523 B12R0.189 CC(=O)OCC(=O)NC[C@@H](F)CO 527a_100015665980_100000183556 [0,1,0,0,0,1|2,0,0]=4 2524 B12R0.189 CC(=O)OCC(=O)NC[C@H](O)CO 240690a_100020644852_100000183556 [0,1,0,0,0,1|2,0,0]=4 2525 B12R0.189 CC(=O)OCC(=O)NC[C@H](O)CO 527a_100020644852_100000183556 [0,1,0,0,0,1|2,0,0]=4 2526 B12R0.189 CC(=O)SCC(=O)NCC(C)CO 240690a_100000744482_100000049016 [0,1,0,0,0,1|1,0,0]=3 2527 B12R0.189 CC(=O)SCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000049016 [0,1,0,0,0,1|2,0,0]=4 2528 B12R0.189 CC(=O)SCC(=O)NC[C@H](O)CO 240690a_100020644852_100000049016 [0,1,0,0,0,1|2,0,0]=4 2529 B12R0.189 CC(C)CCC(=O)NCC(=O)CF 1458a_100000205584_100015361967 [0,1,0,0,0,1|1,0,0]=3 2530 B12R0.189 CC(CO)CNC(=O)CCC(=O)N 240690a_100000744482_100011215257 [0,1,0,0,0,1|2,0,0]=4 2531 B12R0.189 CC(CO)CNC(=O)CCC(=O)N 527a_100000744482_100011215257 [0,1,0,0,0,1|2,0,0]=4 2532 B12R0.189 CC(CO)CNC(=O)CNC(=O)N 240690a_100000744482_100000184981 [0,1,0,0,0,1|2,0,0]=4 2533 B12R0.189 CC(CO)CNC(=O)CNC(=O)N 527a_100000744482_100000184981 [0,1,0,0,0,1|2,0,0]=4 2534 B12R0.189 CC(CO)CNC(=O)CSC(=O)N 240690a_100000744482_200015941356 [0,1,0,0,0,1|2,0,0]=4 2535 B12R0.189 CC(CO)CNC(=O)NCC(=O)N 273464a_100000711301_100000744482 [0,1,0,0,0,1|2,0,0]=4 2536 B12R0.189 CC(CO)CNC(=O)NCC(=O)N 273464a_100000744482_100000711301 [0,1,0,0,0,1|2,0,0]=4 2537 B12R0.189 CC(CO)CNC(=O)NCC(=O)N 512a_100000744482_100000711301 [0,1,0,0,0,1|2,0,0]=4 2538 B12R0.189 CCC(=O)CNC(=O)CCC(C)C 1458a_100000205584_100000210202 [0,1,0,0,0,1|1,0,0]=3 2539 B12R0.189 CCC(=O)NCC(=O)CCC(C)C 1458a_100000194589_100000210312 [0,1,0,0,0,1|1,0,0]=3 2540 B12R0.189 CCC(=O)NCC(=O)CCC(C)O 1458a_100000194589_100012276601 [0,1,0,0,0,1|2,0,0]=4 2541 B12R0.189 CCC(=O)NCC(=O)NCC(C)C 11a_100000210953_100000194589 [0,1,0,0,0,1|1,0,0]=3 2542 B12R0.189 CCC(=O)NCC(=O)NCC(C)C 1626a_100000210953_100000194589 [0,1,0,0,0,1|1,0,0]=3 2543 B12R0.189 CCC(=O)NCC(=O)NCC(C)C 240690a_100000210953_100000194589 [0,1,0,0,0,1|1,0,0]=3 2544 B12R0.189 CCC(=O)NCC(=O)NCC(C)C 527a_100000210953_100000194589 [0,1,0,0,0,1|1,0,0]=3 2545 B12R0.189 CCC(=O)NCC(=O)NCC(C)O 11a_100000210904_100000194589 [0,1,0,0,0,1|2,0,0]=4 2546 B12R0.189 CCC(=O)NCC(=O)NCC(C)O 240690a_100000210904_100000194589 [0,1,0,0,0,1|2,0,0]=4 2547 B12R0.189 CCC(=O)NCC(=O)NCC(C)O 527a_100000210904_100000194589 [0,1,0,0,0,1|2,0,0]=4 2548 B12R0.189 CCC(=O)NCC(=O)NNC(C)C 22a_100000741168_100000194589 [0,1,0,0,0,1|2,0,0]=4 2549 B12R0.189 CCC(=O)NNC(=O)CCC(C)C 22a_100000183195_100000181311 [0,1,0,0,0,1|2,0,0]=4 2550 B12R0.189 CCC(=O)NNC(=O)NCC(C)C 273464a_100000210953_100000183195 [0,1,0,0,0,1|2,0,0]=4 2551 B12R0.189 CCC(=O)NNC(=O)NCC(C)C 512a_100000210953_100000183195 [0,1,0,0,0,1|2,0,0]=4 2552 B12R0.189 CCC(C)CCC(=O)CC=C(C)C 1458a_100000701222_100000761012 [0,1,0,0,0,1|2,0,0]=4 2553 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 11a_100000711301_100000701222 [0,1,0,0,0,1|2,0,0]=4 2554 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000701222 [0,1,0,0,0,1|2,0,0]=4 2555 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 527a_100000711301_100000701222 [0,1,0,0,0,1|2,0,0]=4 2556 B12R0.189 CCC(C)CCC(=O)NNC(=O)C 22a_100000189765_100000701222 [0,1,0,0,0,1|2,0,0]=4 2557 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 11a_100020588543_100011220947 [0,1,0,0,0,1|2,0,0]=4 2558 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 1626a_100020588543_100011220947 [0,1,0,0,0,1|2,0,0]=4 2559 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 240690a_100020588543_100011220947 [0,1,0,0,0,1|2,0,0]=4 2560 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 527a_100020588543_100011220947 [0,1,0,0,0,1|2,0,0]=4 2561 B12R0.189 CCC(C)CNC(=O)CCC(=O)N 240690a_100020588543_100011215257 [0,1,0,0,0,1|2,0,0]=4 2562 B12R0.189 CCC(C)CNC(=O)CCC(=O)N 527a_100020588543_100011215257 [0,1,0,0,0,1|2,0,0]=4 2563 B12R0.189 CCC(C)CNC(=O)CNC(=O)C 11a_100020588543_100000194580 [0,1,0,0,0,1|1,0,0]=3 2564 B12R0.189 CCC(C)CNC(=O)CNC(=O)C 1626a_100020588543_100000194580 [0,1,0,0,0,1|1,0,0]=3 2565 B12R0.189 CCC(C)CNC(=O)CNC(=O)C 240690a_100020588543_100000194580 [0,1,0,0,0,1|1,0,0]=3 2566 B12R0.189 CCC(C)CNC(=O)CNC(=O)C 527a_100020588543_100000194580 [0,1,0,0,0,1|1,0,0]=3 2567 B12R0.189 CCC(C)CNC(=O)CNC(=O)N 240690a_100020588543_100000184981 [0,1,0,0,0,1|2,0,0]=4 2568 B12R0.189 CCC(C)CNC(=O)CNC(=O)N 527a_100020588543_100000184981 [0,1,0,0,0,1|2,0,0]=4 2569 B12R0.189 CCC(C)CNC(=O)COC(=O)C 1626a_100020588543_100000183556 [0,1,0,0,0,1|1,0,0]=3 2570 B12R0.189 CCC(C)CNC(=O)COC(=O)C 240690a_100020588543_100000183556 [0,1,0,0,0,1|1,0,0]=3 2571 B12R0.189 CCC(C)CNC(=O)COC(=O)C 527a_100020588543_100000183556 [0,1,0,0,0,1|1,0,0]=3 2572 B12R0.189 CCC(C)CNC(=O)CSC(=O)C 11a_100020588543_100000049016 [0,1,0,0,0,1|1,0,0]=3 2573 B12R0.189 CCC(C)CNC(=O)CSC(=O)C 1626a_100020588543_100000049016 [0,1,0,0,0,1|1,0,0]=3 2574 B12R0.189 CCC(C)CNC(=O)CSC(=O)C 240690a_100020588543_100000049016 [0,1,0,0,0,1|1,0,0]=3 2575 B12R0.189 CCC(C)CNC(=O)CSC(=O)N 240690a_100020588543_200015941356 [0,1,0,0,0,1|2,0,0]=4 2576 B12R0.189 CCC(C)CNC(=O)NCC(=O)N 2708a_100020588543_100000711301 [0,1,0,0,0,1|2,0,0]=4 2577 B12R0.189 CCC(C)CNC(=O)NCC(=O)N 273464a_100000711301_100020588543 [0,1,0,0,0,1|2,0,0]=4 2578 B12R0.189 CCC(C)CNC(=O)NCC(=O)N 273464a_100020588543_100000711301 [0,1,0,0,0,1|2,0,0]=4 2579 B12R0.189 CCC(C)CNC(=O)NCC(=O)N 512a_100020588543_100000711301 [0,1,0,0,0,1|2,0,0]=4 2580 B12R0.189 CCC(C)CNC(=O)NNC(=O)C 273464a_100020588543_100000189765 [0,1,0,0,0,1|2,0,0]=4 2581 B12R0.189 CCC(C)CNC(=O)NNC(=O)C 512a_100000189765_100020588543 [0,1,0,0,0,1|2,0,0]=4 2582 B12R0.189 CCC(C)NNC(=O)CNC(=O)C 22a_100000718999_100000194580 [0,1,0,0,0,1|2,0,0]=4 2583 B12R0.189 CCC(C)NNC(=O)COC(=O)C 22a_100000718999_100000183556 [0,1,0,0,0,1|2,0,0]=4 2584 B12R0.189 CCC(C)SCC(=O)COC(=O)C 62a_100000036994_100000758301 [0,1,0,0,0,1|2,0,0]=4 2585 B12R0.189 CCC(C)SCC(=O)COC(=O)C 62a_100000758301_100000036994 [0,1,0,0,0,1|2,0,0]=4 2586 B12R0.189 CCC(O)CNC(=O)CNC(=O)C 11a_100011218483_100000194580 [0,1,0,0,0,1|2,0,0]=4 2587 B12R0.189 CCC(O)CNC(=O)CNC(=O)C 240690a_100011218483_100000194580 [0,1,0,0,0,1|2,0,0]=4 2588 B12R0.189 CCC(O)CNC(=O)CNC(=O)C 527a_100011218483_100000194580 [0,1,0,0,0,1|2,0,0]=4 2589 B12R0.189 CCC(O)CNC(=O)COC(=O)C 240690a_100011218483_100000183556 [0,1,0,0,0,1|2,0,0]=4 2590 B12R0.189 CCC(O)CNC(=O)COC(=O)C 527a_100011218483_100000183556 [0,1,0,0,0,1|2,0,0]=4 2591 B12R0.189 CCC(O)CNC(=O)CSC(=O)C 11a_100011218483_100000049016 [0,1,0,0,0,1|2,0,0]=4 2592 B12R0.189 CCC(O)CNC(=O)CSC(=O)C 240690a_100011218483_100000049016 [0,1,0,0,0,1|2,0,0]=4 2593 B12R0.189 CCS(=O)CCC(=O)CCC(C)C 1458a_100011387550_100000210312 [0,1,0,0,0,1|2,0,0]=4 2594 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 11a_100000210953_100011387550 [0,1,0,0,0,1|2,0,0]=4 2595 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 1626a_100000210953_100011387550 [0,1,0,0,0,1|2,0,0]=4 2596 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 240690a_100000210953_100011387550 [0,1,0,0,0,1|2,0,0]=4 2597 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 527a_100000210953_100011387550 [0,1,0,0,0,1|2,0,0]=4 2598 B12R0.189 CNC(=O)C=CC(=O)CCC(C)C 1458a_100016259477_100000210312 [0,1,0,0,0,1|1,0,1]=4 2599 B12R0.189 CNC(=O)C=CC(=O)NCC(C)C 1626a_100000210953_100016259477 [0,1,0,0,0,1|1,0,1]=4 2600 B12R0.189 CNC(=O)CCC(=O)CCC(C)C 1458a_100011309844_100000210312 [0,1,0,0,0,1|1,0,0]=3 2601 B12R0.189 CNC(=O)CCC(=O)CCC(C)O 1458a_100011309844_100012276601 [0,1,0,0,0,1|2,0,0]=4 2602 B12R0.189 CNC(=O)CCC(=O)NCC(C)C 11a_100000210953_100011309844 [0,1,0,0,0,1|1,0,0]=3 2603 B12R0.189 CNC(=O)CCC(=O)NCC(C)C 1626a_100000210953_100011309844 [0,1,0,0,0,1|1,0,0]=3 2604 B12R0.189 CNC(=O)CCC(=O)NCC(C)C 240690a_100000210953_100011309844 [0,1,0,0,0,1|1,0,0]=3 2605 B12R0.189 CNC(=O)CCC(=O)NCC(C)C 527a_100000210953_100011309844 [0,1,0,0,0,1|1,0,0]=3 2606 B12R0.189 CNC(=O)CCC(=O)NCC(C)O 11a_100000210904_100011309844 [0,1,0,0,0,1|2,0,0]=4 2607 B12R0.189 CNC(=O)CCC(=O)NCC(C)O 240690a_100000210904_100011309844 [0,1,0,0,0,1|2,0,0]=4 2608 B12R0.189 CNC(=O)CCC(=O)NCC(C)O 527a_100000210904_100011309844 [0,1,0,0,0,1|2,0,0]=4 2609 B12R0.189 CNC(=O)CCC(=O)NNC(C)C 22a_100000741168_100011309844 [0,1,0,0,0,1|2,0,0]=4 2610 B12R0.189 CNC(=O)CNC(=O)C=CC(C)C 11a_100000693194_100016268746 [0,1,0,0,0,1|1,0,1]=4 2611 B12R0.189 CNC(=O)CNC(=O)C=CC(C)C 240690a_100000693194_100016268746 [0,1,0,0,0,1|1,0,1]=4 2612 B12R0.189 CNC(=O)CNC(=O)CCC(C)C 11a_100000693194_100000181311 [0,1,0,0,0,1|1,0,0]=3 2613 B12R0.189 CNC(=O)CNC(=O)CCC(C)C 11a_106832991635_100000205584 [0,1,0,0,0,1|1,0,0]=3 2614 B12R0.189 CNC(=O)CNC(=O)CCC(C)C 1626a_100102657272_100000205584 [0,1,0,0,0,1|1,0,0]=3 2615 B12R0.189 CNC(=O)CNC(=O)CCC(C)C 240690a_100000693194_100000181311 [0,1,0,0,0,1|1,0,0]=3 2616 B12R0.189 CNC(=O)CNC(=O)CCC(C)C 240690a_100102657272_100000205584 [0,1,0,0,0,1|1,0,0]=3 2617 B12R0.189 CNC(=O)CNC(=O)CCC(C)C 527a_100000693194_100000181311 [0,1,0,0,0,1|1,0,0]=3 2618 B12R0.189 CNC(=O)CNC(=O)CCC(C)C 527a_100102657272_100000205584 [0,1,0,0,0,1|1,0,0]=3 2619 B12R0.189 CNC(=O)CNC(=O)CCN(C)C 11a_100000693194_100000689311 [0,1,0,0,0,1|2,0,0]=4 2620 B12R0.189 CNC(=O)CNC(=O)CCN(C)C 240690a_100000693194_100000689311 [0,1,0,0,0,1|2,0,0]=4 2621 B12R0.189 CNC(=O)CNC(=O)CCN(C)C 527a_100000693194_100000689311 [0,1,0,0,0,1|2,0,0]=4 2622 B12R0.189 CNC(=O)CNC(=O)CC[S+](C)C 11a_100000693194_100009452791 [0,1,0,0,0,1|2,0,0]=4 2623 B12R0.189 CNC(=O)CNC(=O)CC[S+](C)C 240690a_100000693194_100009452791 [0,1,0,0,0,1|2,0,0]=4 2624 B12R0.189 CNC(=O)CNC(=O)COC(C)C 11a_100000693194_100000745533 [0,1,0,0,0,1|2,0,0]=4 2625 B12R0.189 CNC(=O)CNC(=O)COC(C)C 240690a_100000693194_100000745533 [0,1,0,0,0,1|2,0,0]=4 2626 B12R0.189 CNC(=O)CNC(=O)COC(C)C 527a_100000693194_100000745533 [0,1,0,0,0,1|2,0,0]=4 2627 B12R0.189 CNC(=O)CNC(=O)CSC(C)C 11a_100000693194_100000241585 [0,1,0,0,0,1|2,0,0]=4 2628 B12R0.189 CNC(=O)CNC(=O)CSC(C)C 240690a_100000693194_100000241585 [0,1,0,0,0,1|2,0,0]=4 2629 B12R0.189 CNC(=O)CNC(=O)CSC(C)C 527a_100000693194_100000241585 [0,1,0,0,0,1|2,0,0]=4 2630 B12R0.189 CNC(=O)CNC(=O)NCC(C)C 2708a_100000210953_100000693194 [0,1,0,0,0,1|1,0,0]=3 2631 B12R0.189 CNC(=O)CNC(=O)NCC(C)C 273464a_100000210953_100000693194 [0,1,0,0,0,1|1,0,0]=3 2632 B12R0.189 CNC(=O)CNC(=O)NCC(C)C 273464a_100000693194_100000210953 [0,1,0,0,0,1|1,0,0]=3 2633 B12R0.189 CNC(=O)CNC(=O)NCC(C)C 512a_100000210953_100000693194 [0,1,0,0,0,1|1,0,0]=3 2634 B12R0.189 CNC(=O)CNC(=O)NCC(C)O 273464a_100000210904_100000693194 [0,1,0,0,0,1|2,0,0]=4 2635 B12R0.189 CNC(=O)CNC(=O)NCC(C)O 273464a_100000693194_100000210904 [0,1,0,0,0,1|2,0,0]=4 2636 B12R0.189 CNC(=O)CNC(=O)NCC(C)O 512a_100000210904_100000693194 [0,1,0,0,0,1|2,0,0]=4 2637 B12R0.189 CNC(=O)CNC(=O)NNC(C)C 273464a_100000693194_100000741168 [0,1,0,0,0,1|2,0,0]=4 2638 B12R0.189 CNC(=O)CNC(=O)NNC(C)C 512a_100000741168_100000693194 [0,1,0,0,0,1|2,0,0]=4 2639 B12R0.189 COC(=O)C=CC(=O)NCC(C)C 1626a_100000210953_100016283253 [0,1,0,0,0,1|1,0,1]=4 2640 B12R0.189 COC(=O)CCC(=O)CCC(C)C 1458a_100000187943_100000210312 [0,1,0,0,0,1|1,0,0]=3 2641 B12R0.189 COC(=O)CCC(=O)CCC(C)O 1458a_100000187943_100012276601 [0,1,0,0,0,1|2,0,0]=4 2642 B12R0.189 COC(=O)CCC(=O)CNC(C)C 2230a_100138425928_100000691467 [0,1,0,0,0,1|2,0,0]=4 2643 B12R0.189 COC(=O)CCC(=O)CNC(C)C 34a_100138425928_100000691467 [0,1,0,0,0,1|2,0,0]=4 2644 B12R0.189 COC(=O)CCC(=O)COC(C)C 34a_100000212225_100000691467 [0,1,0,0,0,1|2,0,0]=4 2645 B12R0.189 COC(=O)CCC(=O)CSC(C)C 62a_100000210206_100000691467 [0,1,0,0,0,1|2,0,0]=4 2646 B12R0.189 COC(=O)CCC(=O)CSC(C)C 62a_100000691467_100000210206 [0,1,0,0,0,1|2,0,0]=4 2647 B12R0.189 COC(=O)CCC(=O)NCC(C)C 11a_100000210953_100000187943 [0,1,0,0,0,1|1,0,0]=3 2648 B12R0.189 COC(=O)CCC(=O)NCC(C)C 1626a_100000210953_100000187943 [0,1,0,0,0,1|1,0,0]=3 2649 B12R0.189 COC(=O)CCC(=O)NCC(C)C 240690a_100000210953_100000187943 [0,1,0,0,0,1|1,0,0]=3 2650 B12R0.189 COC(=O)CCC(=O)NCC(C)C 527a_100000210953_100000187943 [0,1,0,0,0,1|1,0,0]=3 2651 B12R0.189 COC(=O)CCC(=O)NCC(C)O 11a_100000210904_100000187943 [0,1,0,0,0,1|2,0,0]=4 2652 B12R0.189 COC(=O)CCC(=O)NCC(C)O 240690a_100000210904_100000187943 [0,1,0,0,0,1|2,0,0]=4 2653 B12R0.189 COC(=O)CCC(=O)NCC(C)O 527a_100000210904_100000187943 [0,1,0,0,0,1|2,0,0]=4 2654 B12R0.189 COC(=O)CNC(=O)C=CC(C)C 188690a_100000185156_100016268746 [0,1,0,0,0,1|1,0,1]=4 2655 B12R0.189 COC(=O)CNC(=O)CCC(C)C 188690a_100000185156_100000181311 [0,1,0,0,0,1|1,0,0]=3 2656 B12R0.189 COC(=O)CNC(=O)CCC(C)O 188690a_100000185156_100000718519 [0,1,0,0,0,1|2,0,0]=4 2657 B12R0.189 COC(=O)CNC(=O)CCN(C)C 188690a_100000185156_100000689311 [0,1,0,0,0,1|2,0,0]=4 2658 B12R0.189 COC(=O)CNC(=O)CC[S+](C)C 188690a_100000185156_100009452791 [0,1,0,0,0,1|2,0,0]=4 2659 B12R0.189 COC(=O)CNC(=O)CNC(C)C 2230a_100138425928_100000182966 [0,1,0,0,0,1|2,0,0]=4 2660 B12R0.189 COC(=O)CNC(=O)CNC(C)C 34a_100138425928_100000182966 [0,1,0,0,0,1|2,0,0]=4 2661 B12R0.189 COC(=O)CNC(=O)COC(C)C 188690a_100000185156_100000745533 [0,1,0,0,0,1|2,0,0]=4 2662 B12R0.189 COC(=O)CNC(=O)COC(C)C 34a_100000212225_100000182966 [0,1,0,0,0,1|2,0,0]=4 2663 B12R0.189 COC(=O)CNC(=O)CSC(C)C 188690a_100000185156_100000241585 [0,1,0,0,0,1|2,0,0]=4 2664 B12R0.189 COC(=O)CNC(=O)CSC(C)C 62a_100000182966_100000210206 [0,1,0,0,0,1|2,0,0]=4 2665 B12R0.189 COC(=O)CNC(=O)CSC(C)C 62a_100000210206_100000182966 [0,1,0,0,0,1|2,0,0]=4 2666 B12R0.189 COC(=O)NCC(=O)CCC(C)C 1458a_100000215747_100000210312 [0,1,0,0,0,1|1,0,0]=3 2667 B12R0.189 COC(=O)NCC(=O)CCC(C)O 1458a_100000215747_100012276601 [0,1,0,0,0,1|2,0,0]=4 2668 B12R0.189 COC(=O)NCC(=O)NCC(C)C 11a_100000210953_100000215747 [0,1,0,0,0,1|1,0,0]=3 2669 B12R0.189 COC(=O)NCC(=O)NCC(C)C 1626a_100000210953_100000215747 [0,1,0,0,0,1|1,0,0]=3 2670 B12R0.189 COC(=O)NCC(=O)NCC(C)C 240690a_100000210953_100000215747 [0,1,0,0,0,1|1,0,0]=3 2671 B12R0.189 COC(=O)NCC(=O)NCC(C)C 527a_100000210953_100000215747 [0,1,0,0,0,1|1,0,0]=3 2672 B12R0.189 COC(=O)NCC(=O)NCC(C)O 11a_100000210904_100000215747 [0,1,0,0,0,1|2,0,0]=4 2673 B12R0.189 COC(=O)NCC(=O)NCC(C)O 240690a_100000210904_100000215747 [0,1,0,0,0,1|2,0,0]=4 2674 B12R0.189 COC(=O)NCC(=O)NCC(C)O 527a_100000210904_100000215747 [0,1,0,0,0,1|2,0,0]=4 2675 B12R0.189 COC(=O)NCC(=O)NNC(C)C 22a_100000741168_100000215747 [0,1,0,0,0,1|2,0,0]=4 2676 B12R0.189 COC(C)SCC(=O)COC(=O)C 62a_100000036994_100009879195 [0,1,0,0,0,1|2,0,0]=4 2677 B12R0.189 COC(C)SCC(=O)COC(=O)C 62a_100009879195_100000036994 [0,1,0,0,0,1|2,0,0]=4 2678 B12R0.189 CO[C@H](C)CNC(=O)CC=C(C)C 11a_100020591295_100011220947 [0,1,0,0,0,1|2,0,0]=4 2679 B12R0.189 CO[C@H](C)CNC(=O)CC=C(C)C 1626a_100020591295_100011220947 [0,1,0,0,0,1|2,0,0]=4 2680 B12R0.189 CO[C@H](C)CNC(=O)CC=C(C)C 240690a_100020591295_100011220947 [0,1,0,0,0,1|2,0,0]=4 2681 B12R0.189 CO[C@H](C)CNC(=O)CC=C(C)C 527a_100020591295_100011220947 [0,1,0,0,0,1|2,0,0]=4 2682 B12R0.189 CO[C@H](C)CNC(=O)CCC(=O)N 240690a_100020591295_100011215257 [0,1,0,0,0,1|2,0,0]=4 2683 B12R0.189 CO[C@H](C)CNC(=O)CCC(=O)N 527a_100020591295_100011215257 [0,1,0,0,0,1|2,0,0]=4 2684 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)C 11a_100020591295_100000194580 [0,1,0,0,0,1|1,0,0]=3 2685 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)C 1626a_100020591295_100000194580 [0,1,0,0,0,1|1,0,0]=3 2686 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)C 240690a_100020591295_100000194580 [0,1,0,0,0,1|1,0,0]=3 2687 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)C 527a_100020591295_100000194580 [0,1,0,0,0,1|1,0,0]=3 2688 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)N 240690a_100020591295_100000184981 [0,1,0,0,0,1|2,0,0]=4 2689 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)N 527a_100020591295_100000184981 [0,1,0,0,0,1|2,0,0]=4 2690 B12R0.189 CO[C@H](C)CNC(=O)COC(=O)C 1626a_100020591295_100000183556 [0,1,0,0,0,1|1,0,0]=3 2691 B12R0.189 CO[C@H](C)CNC(=O)COC(=O)C 240690a_100020591295_100000183556 [0,1,0,0,0,1|1,0,0]=3 2692 B12R0.189 CO[C@H](C)CNC(=O)COC(=O)C 527a_100020591295_100000183556 [0,1,0,0,0,1|1,0,0]=3 2693 B12R0.189 CO[C@H](C)CNC(=O)CSC(=O)C 11a_100020591295_100000049016 [0,1,0,0,0,1|1,0,0]=3 2694 B12R0.189 CO[C@H](C)CNC(=O)CSC(=O)C 1626a_100020591295_100000049016 [0,1,0,0,0,1|1,0,0]=3 2695 B12R0.189 CO[C@H](C)CNC(=O)CSC(=O)C 240690a_100020591295_100000049016 [0,1,0,0,0,1|1,0,0]=3 2696 B12R0.189 CO[C@H](C)CNC(=O)CSC(=O)N 240690a_100020591295_200015941356 [0,1,0,0,0,1|2,0,0]=4 2697 B12R0.189 CO[C@H](C)CNC(=O)NCC(=O)N 2708a_100020591295_100000711301 [0,1,0,0,0,1|2,0,0]=4 2698 B12R0.189 CO[C@H](C)CNC(=O)NCC(=O)N 273464a_100000711301_100020591295 [0,1,0,0,0,1|2,0,0]=4 2699 B12R0.189 CO[C@H](C)CNC(=O)NCC(=O)N 273464a_100020591295_100000711301 [0,1,0,0,0,1|2,0,0]=4 2700 B12R0.189 CO[C@H](C)CNC(=O)NCC(=O)N 512a_100020591295_100000711301 [0,1,0,0,0,1|2,0,0]=4 2701 B12R0.189 CO[C@H](C)CNC(=O)NNC(=O)C 273464a_100020591295_100000189765 [0,1,0,0,0,1|2,0,0]=4 2702 B12R0.189 CO[C@H](C)CNC(=O)NNC(=O)C 512a_100000189765_100020591295 [0,1,0,0,0,1|2,0,0]=4 2703 B12R0.390 C=C(C)CCC(=O)CCC(C)(C)C 1458a_100000757465_100000730704 [0,1,0,0,0,1|2,0,0]=4 2704 B12R0.390 C=C(C)CCC(=O)CCC(C)(C)C 1458a_200000688413_100000755188 [0,1,0,0,0,1|2,0,0]=4 2705 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)C 11a_100000743828_200000688413 [0,1,0,0,0,1|2,0,0]=4 2706 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)C 1626a_100000743828_200000688413 [0,1,0,0,0,1|2,0,0]=4 2707 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)C 240690a_100000743828_200000688413 [0,1,0,0,0,1|2,0,0]=4 2708 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)C 527a_100000743828_200000688413 [0,1,0,0,0,1|2,0,0]=4 2709 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)F 11a_100020643315_200000688413 [0,1,0,0,0,1|2,0,0]=4 2710 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)F 1626a_100020643315_200000688413 [0,1,0,0,0,1|2,0,0]=4 2711 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)F 240690a_100020643315_200000688413 [0,1,0,0,0,1|2,0,0]=4 2712 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)F 527a_100020643315_200000688413 [0,1,0,0,0,1|2,0,0]=4 2713 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)O 1626a_100000751335_200000688413 [0,1,0,0,0,1|2,0,0]=4 2714 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)O 240690a_100000751335_200000688413 [0,1,0,0,0,1|2,0,0]=4 2715 B12R0.390 C=C(C)CCC(=O)NCC(C)(C)O 527a_100000751335_200000688413 [0,1,0,0,0,1|2,0,0]=4 2716 B12R0.390 C=C(C)CNC(=O)CCC(C)(C)C 11a_100000765925_100000757465 [0,1,0,0,0,1|2,0,0]=4 2717 B12R0.390 C=C(C)CNC(=O)CCC(C)(C)C 1626a_100000765925_100000757465 [0,1,0,0,0,1|2,0,0]=4 2718 B12R0.390 C=C(C)CNC(=O)CCC(C)(C)C 240690a_100000765925_100000757465 [0,1,0,0,0,1|2,0,0]=4 2719 B12R0.390 C=C(C)CNC(=O)CCC(C)(C)C 527a_100000765925_100000757465 [0,1,0,0,0,1|2,0,0]=4 2720 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)C 2708a_100000743828_100000765925 [0,1,0,0,0,1|2,0,0]=4 2721 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)C 2708a_100000765925_100000743828 [0,1,0,0,0,1|2,0,0]=4 2722 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)C 273464a_100000743828_100000765925 [0,1,0,0,0,1|2,0,0]=4 2723 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)C 273464a_100000765925_100000743828 [0,1,0,0,0,1|2,0,0]=4 2724 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)C 512a_100000743828_100000765925 [0,1,0,0,0,1|2,0,0]=4 2725 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)C 512a_100000765925_100000743828 [0,1,0,0,0,1|2,0,0]=4 2726 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)F 2708a_100000765925_100020643315 [0,1,0,0,0,1|2,0,0]=4 2727 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)F 2708a_100020643315_100000765925 [0,1,0,0,0,1|2,0,0]=4 2728 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)F 273464a_100000765925_100020643315 [0,1,0,0,0,1|2,0,0]=4 2729 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)F 273464a_100020643315_100000765925 [0,1,0,0,0,1|2,0,0]=4 2730 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)F 512a_100000765925_100020643315 [0,1,0,0,0,1|2,0,0]=4 2731 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)F 512a_100020643315_100000765925 [0,1,0,0,0,1|2,0,0]=4 2732 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)O 2708a_100000765925_100000751335 [0,1,0,0,0,1|2,0,0]=4 2733 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)O 273464a_100000765925_100000751335 [0,1,0,0,0,1|2,0,0]=4 2734 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)O 512a_100000751335_100000765925 [0,1,0,0,0,1|2,0,0]=4 2735 B12R0.390 C=C(C)CNC(=O)NCC(C)(C)O 512a_100000765925_100000751335 [0,1,0,0,0,1|2,0,0]=4 2736 B12R0.390 CC(=CCC(=O)CCC(C)(C)C)C 1458a_100000757465_100000761012 [0,1,0,0,0,1|2,0,0]=4 2737 B12R0.390 CC(=CCC(=O)CCC(C)(C)C)C 1458a_100011220947_100000755188 [0,1,0,0,0,1|2,0,0]=4 2738 B12R0.390 CC(=CCC(=O)NCC(C)(C)C)C 11a_100000743828_100011220947 [0,1,0,0,0,1|2,0,0]=4 2739 B12R0.390 CC(=CCC(=O)NCC(C)(C)C)C 1626a_100000743828_100011220947 [0,1,0,0,0,1|2,0,0]=4 2740 B12R0.390 CC(=CCC(=O)NCC(C)(C)C)C 240690a_100000743828_100011220947 [0,1,0,0,0,1|2,0,0]=4 2741 B12R0.390 CC(=CCC(=O)NCC(C)(C)C)C 527a_100000743828_100011220947 [0,1,0,0,0,1|2,0,0]=4 2742 B12R0.390 CC(=CCC(=O)NCC(C)(C)F)C 11a_100020643315_100011220947 [0,1,0,0,0,1|2,0,0]=4 2743 B12R0.390 CC(=CCC(=O)NCC(C)(C)F)C 1626a_100020643315_100011220947 [0,1,0,0,0,1|2,0,0]=4 2744 B12R0.390 CC(=CCC(=O)NCC(C)(C)F)C 240690a_100020643315_100011220947 [0,1,0,0,0,1|2,0,0]=4 2745 B12R0.390 CC(=CCC(=O)NCC(C)(C)F)C 527a_100020643315_100011220947 [0,1,0,0,0,1|2,0,0]=4 2746 B12R0.390 CC(=CCC(=O)NCC(C)(C)O)C 1626a_100000751335_100011220947 [0,1,0,0,0,1|2,0,0]=4 2747 B12R0.390 CC(=CCC(=O)NCC(C)(C)O)C 240690a_100000751335_100011220947 [0,1,0,0,0,1|2,0,0]=4 2748 B12R0.390 CC(=CCC(=O)NCC(C)(C)O)C 527a_100000751335_100011220947 [0,1,0,0,0,1|2,0,0]=4 2749 B12R0.390 CC(=O)NCC(=O)CCC(C)(C)C 1458a_100000194580_100000755188 [0,1,0,0,0,1|1,0,0]=3 2750 B12R0.390 CC(=O)NCC(=O)CC[N+](C)(C)C 1458a_100000194580_100000085578 [0,1,0,0,0,1|2,0,0]=4 2751 B12R0.390 CC(=O)NCC(=O)CC[Si](C)(C)C 1458a_100000194580_200000733723 [0,1,0,0,0,1|1,1,0]=4 2752 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)C 11a_100000743828_100000194580 [0,1,0,0,0,1|1,0,0]=3 2753 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)C 1626a_100000743828_100000194580 [0,1,0,0,0,1|1,0,0]=3 2754 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)C 240690a_100000743828_100000194580 [0,1,0,0,0,1|1,0,0]=3 2755 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)C 527a_100000743828_100000194580 [0,1,0,0,0,1|1,0,0]=3 2756 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)F 11a_100020643315_100000194580 [0,1,0,0,0,1|1,0,0]=3 2757 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)F 1626a_100020643315_100000194580 [0,1,0,0,0,1|1,0,0]=3 2758 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)F 240690a_100020643315_100000194580 [0,1,0,0,0,1|1,0,0]=3 2759 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)F 527a_100020643315_100000194580 [0,1,0,0,0,1|1,0,0]=3 2760 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)O 1626a_100000751335_100000194580 [0,1,0,0,0,1|1,0,0]=3 2761 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)O 240690a_100000751335_100000194580 [0,1,0,0,0,1|1,0,0]=3 2762 B12R0.390 CC(=O)NCC(=O)NCC(C)(C)O 527a_100000751335_100000194580 [0,1,0,0,0,1|1,0,0]=3 2763 B12R0.390 CC(=O)NCC(=O)NCC(C)(F)F 11a_100000731000_100000194580 [0,1,0,0,0,1|2,0,0]=4 2764 B12R0.390 CC(=O)NCC(=O)NCC(C)(F)F 1626a_100000731000_100000194580 [0,1,0,0,0,1|2,0,0]=4 2765 B12R0.390 CC(=O)NCC(=O)NCC(C)(F)F 240690a_100000731000_100000194580 [0,1,0,0,0,1|2,0,0]=4 2766 B12R0.390 CC(=O)NCC(=O)NCC(C)(F)F 527a_100000731000_100000194580 [0,1,0,0,0,1|2,0,0]=4 2767 B12R0.390 CC(=O)NCC(=O)NC[Si](C)(C)C 11a_102516607284_100000194580 [0,1,0,0,0,1|1,1,0]=4 2768 B12R0.390 CC(=O)NCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000194580 [0,1,0,0,0,1|1,1,0]=4 2769 B12R0.390 CC(=O)NCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000194580 [0,1,0,0,0,1|1,1,0]=4 2770 B12R0.390 CC(=O)NCC(=O)NC[Si](C)(C)C 527a_102516607284_100000194580 [0,1,0,0,0,1|1,1,0]=4 2771 B12R0.390 CC(=O)NCC(=O)NNC(C)(C)C 22a_100000725372_100000194580 [0,1,0,0,0,1|2,0,0]=4 2772 B12R0.390 CC(=O)NNC(=O)CCC(C)(C)C 22a_100000189765_100000757465 [0,1,0,0,0,1|2,0,0]=4 2773 B12R0.390 CC(=O)NNC(=O)NCC(C)(C)C 273464a_100000743828_100000189765 [0,1,0,0,0,1|2,0,0]=4 2774 B12R0.390 CC(=O)NNC(=O)NCC(C)(C)C 512a_100000189765_100000743828 [0,1,0,0,0,1|2,0,0]=4 2775 B12R0.390 CC(=O)NNC(=O)NCC(C)(C)F 273464a_100020643315_100000189765 [0,1,0,0,0,1|2,0,0]=4 2776 B12R0.390 CC(=O)NNC(=O)NCC(C)(C)F 512a_100000189765_100020643315 [0,1,0,0,0,1|2,0,0]=4 2777 B12R0.390 CC(=O)NNC(=O)NCC(C)(C)O 512a_100000189765_100000751335 [0,1,0,0,0,1|2,0,0]=4 2778 B12R0.390 CC(=O)OCC(=O)CCC(C)(C)C 1458a_100000183556_100000755188 [0,1,0,0,0,1|1,0,0]=3 2779 B12R0.390 CC(=O)OCC(=O)CC[N+](C)(C)C 1458a_100000183556_100000085578 [0,1,0,0,0,1|2,0,0]=4 2780 B12R0.390 CC(=O)OCC(=O)CC[Si](C)(C)C 1458a_100000183556_200000733723 [0,1,0,0,0,1|1,1,0]=4 2781 B12R0.390 CC(=O)OCC(=O)COC(C)(C)C 34a_100015890283_100000036994 [0,1,0,0,0,1|2,0,0]=4 2782 B12R0.390 CC(=O)OCC(=O)CSC(C)(C)C 62a_100000036994_100000211941 [0,1,0,0,0,1|2,0,0]=4 2783 B12R0.390 CC(=O)OCC(=O)CSC(C)(C)C 62a_100000211941_100000036994 [0,1,0,0,0,1|2,0,0]=4 2784 B12R0.390 CC(=O)OCC(=O)NCC(C)(C)C 1626a_100000743828_100000183556 [0,1,0,0,0,1|1,0,0]=3 2785 B12R0.390 CC(=O)OCC(=O)NCC(C)(C)C 240690a_100000743828_100000183556 [0,1,0,0,0,1|1,0,0]=3 2786 B12R0.390 CC(=O)OCC(=O)NCC(C)(C)C 527a_100000743828_100000183556 [0,1,0,0,0,1|1,0,0]=3 2787 B12R0.390 CC(=O)OCC(=O)NCC(C)(C)F 1626a_100020643315_100000183556 [0,1,0,0,0,1|1,0,0]=3 2788 B12R0.390 CC(=O)OCC(=O)NCC(C)(C)F 240690a_100020643315_100000183556 [0,1,0,0,0,1|1,0,0]=3 2789 B12R0.390 CC(=O)OCC(=O)NCC(C)(C)F 527a_100020643315_100000183556 [0,1,0,0,0,1|1,0,0]=3 2790 B12R0.390 CC(=O)OCC(=O)NCC(C)(C)O 1626a_100000751335_100000183556 [0,1,0,0,0,1|1,0,0]=3 2791 B12R0.390 CC(=O)OCC(=O)NCC(C)(C)O 240690a_100000751335_100000183556 [0,1,0,0,0,1|1,0,0]=3 2792 B12R0.390 CC(=O)OCC(=O)NCC(C)(C)O 527a_100000751335_100000183556 [0,1,0,0,0,1|1,0,0]=3 2793 B12R0.390 CC(=O)OCC(=O)NCC(C)(F)F 1626a_100000731000_100000183556 [0,1,0,0,0,1|2,0,0]=4 2794 B12R0.390 CC(=O)OCC(=O)NCC(C)(F)F 240690a_100000731000_100000183556 [0,1,0,0,0,1|2,0,0]=4 2795 B12R0.390 CC(=O)OCC(=O)NCC(C)(F)F 527a_100000731000_100000183556 [0,1,0,0,0,1|2,0,0]=4 2796 B12R0.390 CC(=O)OCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000183556 [0,1,0,0,0,1|1,1,0]=4 2797 B12R0.390 CC(=O)OCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000183556 [0,1,0,0,0,1|1,1,0]=4 2798 B12R0.390 CC(=O)OCC(=O)NC[Si](C)(C)C 527a_102516607284_100000183556 [0,1,0,0,0,1|1,1,0]=4 2799 B12R0.390 CC(=O)OCC(=O)NNC(C)(C)C 22a_100000725372_100000183556 [0,1,0,0,0,1|2,0,0]=4 2800 B12R0.390 CC(=O)SCC(=O)CCC(C)(C)C 1458a_100000049016_100000755188 [0,1,0,0,0,1|1,0,0]=3 2801 B12R0.390 CC(=O)SCC(=O)CC[N+](C)(C)C 1458a_100000049016_100000085578 [0,1,0,0,0,1|2,0,0]=4 2802 B12R0.390 CC(=O)SCC(=O)CC[Si](C)(C)C 1458a_100000049016_200000733723 [0,1,0,0,0,1|1,1,0]=4 2803 B12R0.390 CC(=O)SCC(=O)NCC(C)(C)C 11a_100000743828_100000049016 [0,1,0,0,0,1|1,0,0]=3 2804 B12R0.390 CC(=O)SCC(=O)NCC(C)(C)C 1626a_100000743828_100000049016 [0,1,0,0,0,1|1,0,0]=3 2805 B12R0.390 CC(=O)SCC(=O)NCC(C)(C)C 240690a_100000743828_100000049016 [0,1,0,0,0,1|1,0,0]=3 2806 B12R0.390 CC(=O)SCC(=O)NCC(C)(C)F 11a_100020643315_100000049016 [0,1,0,0,0,1|1,0,0]=3 2807 B12R0.390 CC(=O)SCC(=O)NCC(C)(C)F 1626a_100020643315_100000049016 [0,1,0,0,0,1|1,0,0]=3 2808 B12R0.390 CC(=O)SCC(=O)NCC(C)(C)F 240690a_100020643315_100000049016 [0,1,0,0,0,1|1,0,0]=3 2809 B12R0.390 CC(=O)SCC(=O)NCC(C)(C)O 1626a_100000751335_100000049016 [0,1,0,0,0,1|1,0,0]=3 2810 B12R0.390 CC(=O)SCC(=O)NCC(C)(C)O 240690a_100000751335_100000049016 [0,1,0,0,0,1|1,0,0]=3 2811 B12R0.390 CC(=O)SCC(=O)NCC(C)(F)F 11a_100000731000_100000049016 [0,1,0,0,0,1|2,0,0]=4 2812 B12R0.390 CC(=O)SCC(=O)NCC(C)(F)F 1626a_100000731000_100000049016 [0,1,0,0,0,1|2,0,0]=4 2813 B12R0.390 CC(=O)SCC(=O)NCC(C)(F)F 240690a_100000731000_100000049016 [0,1,0,0,0,1|2,0,0]=4 2814 B12R0.390 CC(=O)SCC(=O)NC[Si](C)(C)C 11a_102516607284_100000049016 [0,1,0,0,0,1|1,1,0]=4 2815 B12R0.390 CC(=O)SCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000049016 [0,1,0,0,0,1|1,1,0]=4 2816 B12R0.390 CC(=O)SCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000049016 [0,1,0,0,0,1|1,1,0]=4 2817 B12R0.390 CC(C)(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000755188 [0,1,0,0,0,1|2,0,0]=4 2818 B12R0.390 CC(C)(C)CCC(=O)CNC(=O)N 1458a_100000184981_100000755188 [0,1,0,0,0,1|2,0,0]=4 2819 B12R0.390 CC(C)(C)CCC(=O)NCC(=O)N 11a_100000711301_100000757465 [0,1,0,0,0,1|2,0,0]=4 2820 B12R0.390 CC(C)(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000757465 [0,1,0,0,0,1|2,0,0]=4 2821 B12R0.390 CC(C)(C)CCC(=O)NCC(=O)N 527a_100000711301_100000757465 [0,1,0,0,0,1|2,0,0]=4 2822 B12R0.390 CC(C)(C)CNC(=O)CCC(=O)N 240690a_100000743828_100011215257 [0,1,0,0,0,1|2,0,0]=4 2823 B12R0.390 CC(C)(C)CNC(=O)CCC(=O)N 527a_100000743828_100011215257 [0,1,0,0,0,1|2,0,0]=4 2824 B12R0.390 CC(C)(C)CNC(=O)CNC(=O)N 240690a_100000743828_100000184981 [0,1,0,0,0,1|2,0,0]=4 2825 B12R0.390 CC(C)(C)CNC(=O)CNC(=O)N 527a_100000743828_100000184981 [0,1,0,0,0,1|2,0,0]=4 2826 B12R0.390 CC(C)(C)CNC(=O)CSC(=O)N 240690a_100000743828_200015941356 [0,1,0,0,0,1|2,0,0]=4 2827 B12R0.390 CC(C)(C)CNC(=O)NCC(=O)N 2708a_100000743828_100000711301 [0,1,0,0,0,1|2,0,0]=4 2828 B12R0.390 CC(C)(C)CNC(=O)NCC(=O)N 273464a_100000711301_100000743828 [0,1,0,0,0,1|2,0,0]=4 2829 B12R0.390 CC(C)(C)CNC(=O)NCC(=O)N 273464a_100000743828_100000711301 [0,1,0,0,0,1|2,0,0]=4 2830 B12R0.390 CC(C)(C)CNC(=O)NCC(=O)N 512a_100000743828_100000711301 [0,1,0,0,0,1|2,0,0]=4 2831 B12R0.390 CC(C)(F)CNC(=O)CCC(=O)N 240690a_100020643315_100011215257 [0,1,0,0,0,1|2,0,0]=4 2832 B12R0.390 CC(C)(F)CNC(=O)CCC(=O)N 527a_100020643315_100011215257 [0,1,0,0,0,1|2,0,0]=4 2833 B12R0.390 CC(C)(F)CNC(=O)CNC(=O)N 240690a_100020643315_100000184981 [0,1,0,0,0,1|2,0,0]=4 2834 B12R0.390 CC(C)(F)CNC(=O)CNC(=O)N 527a_100020643315_100000184981 [0,1,0,0,0,1|2,0,0]=4 2835 B12R0.390 CC(C)(F)CNC(=O)CSC(=O)N 240690a_100020643315_200015941356 [0,1,0,0,0,1|2,0,0]=4 2836 B12R0.390 CC(C)(F)CNC(=O)NCC(=O)N 2708a_100020643315_100000711301 [0,1,0,0,0,1|2,0,0]=4 2837 B12R0.390 CC(C)(F)CNC(=O)NCC(=O)N 273464a_100000711301_100020643315 [0,1,0,0,0,1|2,0,0]=4 2838 B12R0.390 CC(C)(F)CNC(=O)NCC(=O)N 273464a_100020643315_100000711301 [0,1,0,0,0,1|2,0,0]=4 2839 B12R0.390 CC(C)(F)CNC(=O)NCC(=O)N 512a_100020643315_100000711301 [0,1,0,0,0,1|2,0,0]=4 2840 B12R0.390 CC(C)(O)CNC(=O)CCC(=O)N 240690a_100000751335_100011215257 [0,1,0,0,0,1|2,0,0]=4 2841 B12R0.390 CC(C)(O)CNC(=O)CCC(=O)N 527a_100000751335_100011215257 [0,1,0,0,0,1|2,0,0]=4 2842 B12R0.390 CC(C)(O)CNC(=O)CNC(=O)N 240690a_100000751335_100000184981 [0,1,0,0,0,1|2,0,0]=4 2843 B12R0.390 CC(C)(O)CNC(=O)CNC(=O)N 527a_100000751335_100000184981 [0,1,0,0,0,1|2,0,0]=4 2844 B12R0.390 CC(C)(O)CNC(=O)CSC(=O)N 240690a_100000751335_200015941356 [0,1,0,0,0,1|2,0,0]=4 2845 B12R0.390 CC(C)(O)CNC(=O)NCC(=O)N 273464a_100000711301_100000751335 [0,1,0,0,0,1|2,0,0]=4 2846 B12R0.390 CC(C)(O)CNC(=O)NCC(=O)N 512a_100000751335_100000711301 [0,1,0,0,0,1|2,0,0]=4 2847 B12R0.390 CC(C)CCC(=O)CCS(=O)(=O)C 1458a_100000181311_100000731031 [0,1,0,0,0,1|2,0,0]=4 2848 B12R0.390 CC(C)CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210312 [0,1,0,0,0,1|2,0,0]=4 2849 B12R0.390 CC(C)CCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210312 [0,1,0,0,0,1|2,0,0]=4 2850 B12R0.390 CC(C)CNC(=O)CCS(=O)(=O)C 11a_100000210953_100000737124 [0,1,0,0,0,1|2,0,0]=4 2851 B12R0.390 CC(C)CNC(=O)CCS(=O)(=O)C 1626a_100000210953_100000737124 [0,1,0,0,0,1|2,0,0]=4 2852 B12R0.390 CC(C)CNC(=O)CCS(=O)(=O)C 240690a_100000210953_100000737124 [0,1,0,0,0,1|2,0,0]=4 2853 B12R0.390 CC(C)CNC(=O)CCS(=O)(=O)C 527a_100000210953_100000737124 [0,1,0,0,0,1|2,0,0]=4 2854 B12R0.390 CC(C)CNC(=O)CNS(=O)(=O)C 11a_100000210953_100000737300 [0,1,0,0,0,1|2,0,0]=4 2855 B12R0.390 CC(C)CNC(=O)CNS(=O)(=O)C 1626a_100000210953_100000737300 [0,1,0,0,0,1|2,0,0]=4 2856 B12R0.390 CC(C)CNC(=O)CNS(=O)(=O)C 240690a_100000210953_100000737300 [0,1,0,0,0,1|2,0,0]=4 2857 B12R0.390 CC(C)NCC(=O)OCC(C)(C)C 2230a_100138425928_200010402935 [0,1,0,0,0,1|1,0,1]=4 2858 B12R0.390 CC(C)NCC(=O)OCC(C)(C)C 34a_100138425928_200010402935 [0,1,0,0,0,1|1,0,1]=4 2859 B12R0.390 CC(C)OCC(=O)OCC(C)(C)C 34a_100000212225_200010402935 [0,1,0,0,0,1|1,0,1]=4 2860 B12R0.390 CC(C)SCC(=O)OCC(C)(C)C 62a_100000210206_200010402935 [0,1,0,0,0,1|1,0,1]=4 2861 B12R0.390 CC(C)SCC(=O)OCC(C)(C)C 62a_200010402935_100000210206 [0,1,0,0,0,1|1,0,1]=4 2862 B12R0.540 CC(=O)OCC(CCl)OCC(C)C 7a_200000139349_100000210760 [0,1,0,0,0,1|1,0,1]=4 2863 B12R0.63 C[C@@H](NC(=O)CC(=O)N)C(C)(C)C 240690a_100025703359_100134613110 [0,2,0,0,0,0|2,0,0]=4 2864 B12R0.63 C[C@@H](NC(=O)CC(=O)N)C(C)(C)C 527a_100025703359_100134613110 [0,2,0,0,0,0|2,0,0]=4 2865 B12R0.63 C[C@H](NC(=O)CC(=O)N)C(C)(C)O 240690a_100025708725_100134613110 [0,2,0,0,0,0|2,0,0]=4 2866 B12R0.63 C[C@H](NC(=O)CC(=O)N)C(C)(C)O 527a_100025708725_100134613110 [0,2,0,0,0,0|2,0,0]=4 2867 B12R0.64 CC(=O)C(C)C(=O)C(=O)NC(C)C 1458a_100011220036_100000179758 [0,2,0,0,0,0|2,0,0]=4 2868 B12R0.64 CC(=O)C(C)C(=O)C(C)CN(C)C 1458a_200015186601_100000179758 [0,2,0,0,0,0|2,0,0]=4 2869 B12R0.64 CC(=O)C(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000179758 [0,2,0,0,0,0|1,0,0]=3 2870 B12R0.64 CC(C)C(C)N(C)C(=O)CC(=O)N 240690a_100000228512_100134613110 [0,2,0,0,0,0|2,0,0]=4 2871 B12R0.64 CC(C)C(C)N(C)C(=O)CC(=O)N 527a_100000228512_100134613110 [0,2,0,0,0,0|2,0,0]=4 2872 B12R0.64 CC(C)C[C@H](O)C(=O)C(C)C(=O)N 1458a_100012027011_100000702099 [0,2,0,0,0,0|2,0,0]=4 2873 B12R0.64 CC(C)C[C@H](O)C(=O)C(F)C(=O)N 1458a_100012027011_100009813875 [0,2,0,0,0,0|2,0,0]=4 2874 B12R0.64 CC(C)C[C@H](O)C(=O)C(F)C(=O)[O-] 1458a_100012027011_100020610796 [0,2,0,0,0,0|2,0,0]=4 2875 B12R0.153 CCC(=O)CC(=O)CC(C)N(C)C 1458a_100011311895_100000747405 [0,2,0,0,0,0|2,0,0]=4 2876 B12R0.153 CCC(=O)CC(=O)CN(C)C(C)C 1458a_100000743827_100000747405 [0,2,0,0,0,0|2,0,0]=4 2877 B12R0.153 CNC(=O)CC(=O)CC(C)N(C)C 1458a_100011311895_100000183359 [0,2,0,0,0,0|2,0,0]=4 2878 B12R0.153 CNC(=O)CC(=O)CN(C)C(C)C 1458a_100000743827_100000183359 [0,2,0,0,0,0|2,0,0]=4 2879 B12R0.153 COC(=O)CC(=O)CC(=O)C(C)C 1458a_100000211351_100000753385 [0,2,0,0,0,0|1,0,1]=4 2880 B12R0.153 COC(=O)CC(=O)CC(C)N(C)C 1458a_100011311895_100000747449 [0,2,0,0,0,0|2,0,0]=4 2881 B12R0.153 COC(=O)CC(=O)CN(C)C(C)C 1458a_100000743827_100000747449 [0,2,0,0,0,0|2,0,0]=4 2882 B12R0.153 COC(=O)CC(=O)NC(C)C(C)C 240690a_100000211541_100000211351 [0,2,0,0,0,0|1,0,0]=3 2883 B12R0.153 COC(=O)CC(C)OC(C)C(C)C 7a_100000748068_100009817358 [0,2,0,0,0,0|1,0,1]=4 2884 B12R0.262 CC(=O)C(C)C(=O)CC(C)N(C)C 1458a_100011311895_100000179758 [0,2,0,0,0,0|2,0,0]=4 2885 B12R0.262 CC(=O)C(C)C(=O)CN(C)C(C)C 1458a_100000743827_100000179758 [0,2,0,0,0,0|2,0,0]=4 2886 B12R0.315 CC(C)C(C)(C)NC(=O)CC(=O)N 240690a_200160471154_100134613110 [0,2,0,0,0,0|2,0,0]=4 2887 B12R0.315 CC(C)C(C)(C)NC(=O)CC(=O)N 527a_200160471154_100134613110 [0,2,0,0,0,0|2,0,0]=4 2888 B12R0.340 CC(C)C(C)NC(=O)CS(=O)(=O)C 11a_100000211541_100000744497 [0,2,0,0,0,0|2,0,0]=4 2889 B12R0.340 CC(C)C(C)NC(=O)CS(=O)(=O)C 240690a_100000211541_100000744497 [0,2,0,0,0,0|2,0,0]=4 2890 B12R0.340 CC(C)C(C)NC(=O)CS(=O)(=O)C 527a_100000211541_100000744497 [0,2,0,0,0,0|2,0,0]=4 2891 B12R0.543 CC(C)[C@H](CO)NC(=O)CC(=O)N 240690a_100011830312_100134613110 [0,2,0,0,0,0|2,0,0]=4 2892 B12R0.543 CC(C)[C@H](CO)NC(=O)CC(=O)N 527a_100011830312_100134613110 [0,2,0,0,0,0|2,0,0]=4 2893 B12R0.543 CCC(NC(=O)CC(=O)N)C(C)C 240690a_100000745074_100134613110 [0,2,0,0,0,0|2,0,0]=4 2894 B12R0.543 CCC(NC(=O)CC(=O)N)C(C)C 527a_100000745074_100134613110 [0,2,0,0,0,0|2,0,0]=4 2895 B12R0.155 CC(CO)CNC(=O)CS(=O)(=O)C 240690a_100000744482_100000744497 [0,2,0,0,0,0|2,0,0]=4 2896 B12R0.155 CC(CO)CNC(=O)CS(=O)(=O)C 527a_100000744482_100000744497 [0,2,0,0,0,0|2,0,0]=4 2897 B12R0.155 CCC(C)CNC(=O)CS(=O)(=O)C 11a_100020588543_100000744497 [0,2,0,0,0,0|2,0,0]=4 2898 B12R0.155 CCC(C)CNC(=O)CS(=O)(=O)C 240690a_100020588543_100000744497 [0,2,0,0,0,0|2,0,0]=4 2899 B12R0.155 CCC(C)CNC(=O)CS(=O)(=O)C 527a_100020588543_100000744497 [0,2,0,0,0,0|2,0,0]=4 2900 B12R0.155 CO[C@H](C)CNC(=O)CS(=O)(=O)C 11a_100020591295_100000744497 [0,2,0,0,0,0|2,0,0]=4 2901 B12R0.155 CO[C@H](C)CNC(=O)CS(=O)(=O)C 240690a_100020591295_100000744497 [0,2,0,0,0,0|2,0,0]=4 2902 B12R0.155 CO[C@H](C)CNC(=O)CS(=O)(=O)C 527a_100020591295_100000744497 [0,2,0,0,0,0|2,0,0]=4 2903 B12R0.595 CCS(=O)(=O)CC(=O)CCC(C)C 1458a_100000744335_100000210312 [0,2,0,0,0,0|2,0,0]=4 2904 B12R0.595 CCS(=O)(=O)CC(=O)NCC(C)C 11a_100000210953_100000744335 [0,2,0,0,0,0|2,0,0]=4 2905 B12R0.595 CCS(=O)(=O)CC(=O)NCC(C)C 1626a_100000210953_100000744335 [0,2,0,0,0,0|2,0,0]=4 2906 B12R0.595 CCS(=O)(=O)CC(=O)NCC(C)C 240690a_100000210953_100000744335 [0,2,0,0,0,0|2,0,0]=4 2907 B12R0.595 CCS(=O)(=O)CC(=O)NCC(C)C 527a_100000210953_100000744335 [0,2,0,0,0,0|2,0,0]=4 2908 B12R0.696 CC(C)CC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000731052 [0,2,0,0,0,0|2,0,0]=4 2909 B12R0.696 CC(C)CN(C)C(=O)CS(=O)(=O)C 11a_100000747067_100000744497 [0,2,0,0,0,0|2,0,0]=4 2910 B12R0.696 CC(C)CN(C)C(=O)CS(=O)(=O)C 240690a_100000747067_100000744497 [0,2,0,0,0,0|2,0,0]=4 2911 B12R0.696 CC(C)CN(C)C(=O)CS(=O)(=O)C 527a_100000747067_100000744497 [0,2,0,0,0,0|2,0,0]=4 2912 B12R0.696 CN(CC(C)(C)C)C(=O)CC(=O)N 240690a_100000742839_100134613110 [0,2,0,0,0,0|2,0,0]=4 2913 B12R0.696 CN(CC(C)(C)C)C(=O)CC(=O)N 527a_100000742839_100134613110 [0,2,0,0,0,0|2,0,0]=4 2914 B12R0.696 CN(CC(C)(C)O)C(=O)CC(=O)N 240690a_100000755907_100134613110 [0,2,0,0,0,0|2,0,0]=4 2915 B12R0.696 CN(CC(C)(C)O)C(=O)CC(=O)N 527a_100000755907_100134613110 [0,2,0,0,0,0|2,0,0]=4 2916 B12R0.906 CC(C)(C)CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000755188 [0,2,0,0,0,0|2,0,0]=4 2917 B12R0.906 CC(C)(C)CNC(=O)CS(=O)(=O)C 11a_100000743828_100000744497 [0,2,0,0,0,0|2,0,0]=4 2918 B12R0.906 CC(C)(C)CNC(=O)CS(=O)(=O)C 240690a_100000743828_100000744497 [0,2,0,0,0,0|2,0,0]=4 2919 B12R0.906 CC(C)(C)CNC(=O)CS(=O)(=O)C 527a_100000743828_100000744497 [0,2,0,0,0,0|2,0,0]=4 2920 B12R0.906 CC(C)(F)CNC(=O)CS(=O)(=O)C 11a_100020643315_100000744497 [0,2,0,0,0,0|2,0,0]=4 2921 B12R0.906 CC(C)(F)CNC(=O)CS(=O)(=O)C 240690a_100020643315_100000744497 [0,2,0,0,0,0|2,0,0]=4 2922 B12R0.906 CC(C)(F)CNC(=O)CS(=O)(=O)C 527a_100020643315_100000744497 [0,2,0,0,0,0|2,0,0]=4 2923 B12R0.906 CC(C)(O)CNC(=O)CS(=O)(=O)C 240690a_100000751335_100000744497 [0,2,0,0,0,0|2,0,0]=4 2924 B12R0.906 CC(C)(O)CNC(=O)CS(=O)(=O)C 527a_100000751335_100000744497 [0,2,0,0,0,0|2,0,0]=4 2925 B12R0.88 C#CC(=O)C(C)C(=O)NCC(C)C 1458a_100000211873_100000230289 [0,2,0,0,0,0|1,0,1]=4 2926 B12R0.88 C=CC(=O)C(C)C(=O)NCC(C)C 1458a_100000185746_100000230289 [0,2,0,0,0,0|1,0,1]=4 2927 B12R0.88 CC(C)CNC(=O)C(C)C(=O)CO 1458a_100000210174_100000230289 [0,2,0,0,0,0|1,0,0]=3 2928 B12R0.88 CCC(=O)C(C)C(=O)C=CC(C)C 1458a_100016268746_100000742827 [0,2,0,0,0,0|1,0,1]=4 2929 B12R0.88 CCC(=O)C(C)C(=O)CCC(C)C 1458a_100000181311_100000742827 [0,2,0,0,0,0|1,0,0]=3 2930 B12R0.88 CCC(=O)C(C)C(=O)CC[S+](C)C 1458a_100009452791_100000742827 [0,2,0,0,0,0|2,0,0]=4 2931 B12R0.88 CCC(=O)C(C)C(=O)COC(C)C 1458a_100000745533_100000742827 [0,2,0,0,0,0|2,0,0]=4 2932 B12R0.88 CCC(=O)C(C)C(=O)CSC(C)C 1458a_100000241585_100000742827 [0,2,0,0,0,0|2,0,0]=4 2933 B12R0.88 CCC(=O)C(C)C(=O)NCC(C)C 1458a_100000210414_100000230289 [0,2,0,0,0,0|1,0,0]=3 2934 B12R0.88 CNC(=O)C(C)C(=O)C=CC(C)C 1458a_100016268746_100000209862 [0,2,0,0,0,0|1,0,1]=4 2935 B12R0.88 CNC(=O)C(C)C(=O)CCC(C)C 1458a_100000181311_100000209862 [0,2,0,0,0,0|1,0,0]=3 2936 B12R0.88 CNC(=O)C(C)C(=O)CC[S+](C)C 1458a_100009452791_100000209862 [0,2,0,0,0,0|2,0,0]=4 2937 B12R0.88 CNC(=O)C(C)C(=O)COC(C)C 1458a_100000745533_100000209862 [0,2,0,0,0,0|2,0,0]=4 2938 B12R0.88 CNC(=O)C(C)C(=O)CSC(C)C 1458a_100000241585_100000209862 [0,2,0,0,0,0|2,0,0]=4 2939 B12R0.88 CNC(=O)C(F)C(=O)C=CC(C)C 1458a_100016268746_100009813575 [0,2,0,0,0,0|1,0,1]=4 2940 B12R0.88 CNC(=O)C(F)C(=O)CCC(C)C 1458a_100000181311_100009813575 [0,2,0,0,0,0|1,0,0]=3 2941 B12R0.88 CNC(=O)C(F)C(=O)CC[S+](C)C 1458a_100009452791_100009813575 [0,2,0,0,0,0|2,0,0]=4 2942 B12R0.88 CNC(=O)C(F)C(=O)COC(C)C 1458a_100000745533_100009813575 [0,2,0,0,0,0|2,0,0]=4 2943 B12R0.88 CNC(=O)C(F)C(=O)CSC(C)C 1458a_100000241585_100009813575 [0,2,0,0,0,0|2,0,0]=4 2944 B12R0.88 CNC(=O)[C@@H](N)[C@@H](C)OCC(C)C 34a_100102634413_100000210624 [0,2,0,0,0,0|1,0,1]=4 2945 B12R0.88 COC(=O)C(C)C(=O)C=CC(C)C 1458a_100016268746_100000211248 [0,2,0,0,0,0|1,0,1]=4 2946 B12R0.88 COC(=O)C(C)C(=O)CCC(C)C 1458a_100000181311_100000211248 [0,2,0,0,0,0|1,0,0]=3 2947 B12R0.88 COC(=O)C(C)C(=O)CCC(C)C 1458a_100012027023_100000210312 [0,2,0,0,0,0|1,0,0]=3 2948 B12R0.88 COC(=O)C(C)C(=O)CCC(C)O 1458a_100012027023_100012276601 [0,2,0,0,0,0|2,0,0]=4 2949 B12R0.88 COC(=O)C(C)C(=O)CC[S+](C)C 1458a_100009452791_100000211248 [0,2,0,0,0,0|2,0,0]=4 2950 B12R0.88 COC(=O)C(C)C(=O)COC(C)C 1458a_100000745533_100000211248 [0,2,0,0,0,0|2,0,0]=4 2951 B12R0.88 COC(=O)C(C)C(=O)CSC(C)C 1458a_100000241585_100000211248 [0,2,0,0,0,0|2,0,0]=4 2952 B12R0.88 COC(=O)C(C)C(=O)NCC(C)C 11a_100000210953_100012027023 [0,2,0,0,0,0|1,0,0]=3 2953 B12R0.88 COC(=O)C(C)C(=O)NCC(C)C 1626a_100000210953_100012027023 [0,2,0,0,0,0|1,0,0]=3 2954 B12R0.88 COC(=O)C(C)C(=O)NCC(C)C 240690a_100000210953_100012027023 [0,2,0,0,0,0|1,0,0]=3 2955 B12R0.88 COC(=O)C(C)C(=O)NCC(C)C 527a_100000210953_100012027023 [0,2,0,0,0,0|1,0,0]=3 2956 B12R0.88 COC(=O)C(C)C(=O)NCC(C)O 11a_100000210904_100012027023 [0,2,0,0,0,0|2,0,0]=4 2957 B12R0.88 COC(=O)C(C)C(=O)NCC(C)O 240690a_100000210904_100012027023 [0,2,0,0,0,0|2,0,0]=4 2958 B12R0.88 COC(=O)C(C)C(=O)NCC(C)O 527a_100000210904_100012027023 [0,2,0,0,0,0|2,0,0]=4 2959 B12R0.88 COC(=O)C(C)C(=O)NNC(C)C 22a_100000741168_100012027023 [0,2,0,0,0,0|2,0,0]=4 2960 B12R0.88 COC(=O)[C@@H](N)[C@@H](C)OCC(C)C 34a_100000004424_100000210624 [0,2,0,0,0,0|1,0,1]=4 2961 B12R0.147 CCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747405 [0,2,0,0,0,0|1,0,0]=3 2962 B12R0.147 CCC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000747405 [0,2,0,0,0,0|2,0,0]=4 2963 B12R0.147 CCC(=O)CC(=O)NCC(O)CO 1458a_100000210414_200012027429 [0,2,0,0,0,0|2,0,0]=4 2964 B12R0.147 CCC(C)CCC(=O)CC(=O)NC 1458a_100000701222_100000183359 [0,2,0,0,0,0|1,0,0]=3 2965 B12R0.147 CCC(C)CCC(=O)CC(=O)OC 1458a_100000701222_100000747449 [0,2,0,0,0,0|1,0,0]=3 2966 B12R0.147 CCC(C)CNC(=O)CC(=O)OC 240690a_100020588543_100000211351 [0,2,0,0,0,0|1,0,0]=3 2967 B12R0.147 CCC(C)NNC(=O)CC(=O)OC 22a_100000718999_100000211351 [0,2,0,0,0,0|2,0,0]=4 2968 B12R0.147 CCC(C)SCC(=O)CC(=O)OC 62a_100000210525_100000758301 [0,2,0,0,0,0|2,0,0]=4 2969 B12R0.147 CCC(C)SCC(=O)CC(=O)OC 62a_100000758301_100000210525 [0,2,0,0,0,0|2,0,0]=4 2970 B12R0.147 CCC(O)CNC(=O)CC(=O)OC 240690a_100011218483_100000211351 [0,2,0,0,0,0|2,0,0]=4 2971 B12R0.147 CCN(C)CCC(=O)CC(=O)NC 1458a_100000755305_100000183359 [0,2,0,0,0,0|2,0,0]=4 2972 B12R0.147 CCN(C)CCC(=O)CC(=O)OC 1458a_100000755305_100000747449 [0,2,0,0,0,0|2,0,0]=4 2973 B12R0.147 CC[C@H](C)COC(C)CC(=O)OC 7a_100009816381_100009817358 [0,2,0,0,0,0|1,0,1]=4 2974 B12R0.147 COC(=O)CC(=O)CSC(C)CO 62a_100012180447_100000210525 [0,2,0,0,0,0|2,0,0]=4 2975 B12R0.147 COC(=O)CC(=O)CSC(C)OC 62a_100000210525_100009879195 [0,2,0,0,0,0|2,0,0]=4 2976 B12R0.147 COC(=O)CC(=O)CSC(C)OC 62a_100009879195_100000210525 [0,2,0,0,0,0|2,0,0]=4 2977 B12R0.147 COC(=O)CC(=O)CS[C@H](C)CO 62a_100000210525_100016084084 [0,2,0,0,0,0|2,0,0]=4 2978 B12R0.147 COC(=O)CC(=O)CS[C@H](C)CO 62a_100016084084_100000210525 [0,2,0,0,0,0|2,0,0]=4 2979 B12R0.147 COC(=O)CC(=O)NCC(C)CO 240690a_100000744482_100000211351 [0,2,0,0,0,0|1,0,0]=3 2980 B12R0.147 COC(=O)CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211351 [0,2,0,0,0,0|1,0,0]=3 2981 B12R0.147 COC(=O)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211351 [0,2,0,0,0,0|2,0,0]=4 2982 B12R0.147 COC(=O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000211351 [0,2,0,0,0,0|2,0,0]=4 2983 B12R0.147 COC(=O)CC(C)OCC(C)CN 34a_100000744482_100009817358 [0,2,0,0,0,0|1,0,1]=4 2984 B12R0.147 COC(=O)CC(C)OCC(C)OC 34a_100000690652_100009817358 [0,2,0,0,0,0|1,0,1]=4 2985 B12R0.147 O=C(CO)CC(=O)NCC(O)CO 1458a_100000210174_200012027429 [0,2,0,0,0,0|2,0,0]=4 2986 B12R0.154 CC[C@@H](CC(=O)OC)OCC(C)C 7a_200015357724_100000210760 [0,2,0,0,0,0|1,0,1]=4 2987 B12R0.154 COC(=O)C[C@H](CCl)OCC(C)C 7a_100000754131_100000210760 [0,2,0,0,0,0|1,0,1]=4 2988 B12R0.235 CCC(=O)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000747405 [0,2,0,0,0,0|2,0,0]=4 2989 B12R0.235 CCC(=O)CC(=O)C(C)CN(C)C 1458a_200015186601_100000747405 [0,2,0,0,0,0|2,0,0]=4 2990 B12R0.235 CCC(=O)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000747405 [0,2,0,0,0,0|1,0,0]=3 2991 B12R0.235 CCC(C)CN(C)C(=O)CC(=O)N 240690a_100000753921_100134613110 [0,2,0,0,0,0|2,0,0]=4 2992 B12R0.235 CCC(C)CN(C)C(=O)CC(=O)N 527a_100000753921_100134613110 [0,2,0,0,0,0|2,0,0]=4 2993 B12R0.235 CNC(=O)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000183359 [0,2,0,0,0,0|2,0,0]=4 2994 B12R0.235 CNC(=O)CC(=O)C(C)CN(C)C 1458a_200015186601_100000183359 [0,2,0,0,0,0|2,0,0]=4 2995 B12R0.235 CNC(=O)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000183359 [0,2,0,0,0,0|1,0,0]=3 2996 B12R0.235 COC(=O)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000747449 [0,2,0,0,0,0|2,0,0]=4 2997 B12R0.235 COC(=O)CC(=O)C(C)CC(C)C 1458a_100000211351_100000731052 [0,2,0,0,0,0|1,0,0]=3 2998 B12R0.235 COC(=O)CC(=O)C(C)CN(C)C 1458a_200015186601_100000747449 [0,2,0,0,0,0|2,0,0]=4 2999 B12R0.235 COC(=O)CC(=O)C(C)SC(C)C 62a_100000210206_100009997173 [0,2,0,0,0,0|2,0,0]=4 3000 B12R0.235 COC(=O)CC(=O)C(C)SC(C)C 62a_100009997173_100000210206 [0,2,0,0,0,0|2,0,0]=4 3001 B12R0.235 COC(=O)CC(=O)N(C)CC(C)C 240690a_100000747067_100000211351 [0,2,0,0,0,0|1,0,0]=3 3002 B12R0.235 COC(=O)CC(=O)N(C)CC(C)O 240690a_100000227577_100000211351 [0,2,0,0,0,0|2,0,0]=4 3003 B12R0.235 COC(=O)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000747449 [0,2,0,0,0,0|1,0,0]=3 3004 B12R0.283 C#CCC(=O)CC(=O)NCC(C)C 1458a_100011220946_100000183291 [0,2,0,0,0,0|1,0,0]=3 3005 B12R0.283 C=C(CCC)CC(=O)CCC(C)C 1458a_100000138376_100000210312 [0,2,0,0,0,0|2,0,0]=4 3006 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 11a_100000210953_100000138376 [0,2,0,0,0,0|2,0,0]=4 3007 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 240690a_100000210953_100000138376 [0,2,0,0,0,0|2,0,0]=4 3008 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 527a_100000210953_100000138376 [0,2,0,0,0,0|2,0,0]=4 3009 B12R0.283 C=CCC(=O)CC(=O)NCC(C)C 1458a_100000210193_100000183291 [0,2,0,0,0,0|1,0,0]=3 3010 B12R0.283 C=COC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000036128 [0,2,0,0,0,0|1,0,1]=4 3011 B12R0.283 CC#CC(=O)CC(=O)NCC(C)C 1458a_100000763181_100000183291 [0,2,0,0,0,0|1,0,0]=3 3012 B12R0.283 CC(C)C=CC(=O)CC(=O)NCO 1458a_100016268746_100000185155 [0,2,0,0,0,0|1,0,1]=4 3013 B12R0.283 CC(C)CCC(=O)CC(=O)NCO 1458a_100000181311_100000185155 [0,2,0,0,0,0|1,0,0]=3 3014 B12R0.283 CC(C)CNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183291 [0,2,0,0,0,0|1,0,1]=4 3015 B12R0.283 CC(C)CNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183291 [0,2,0,0,0,0|1,0,1]=4 3016 B12R0.283 CC(C)CNC(=O)CC(=O)C=CI 1458a_100016256311_100000183291 [0,2,0,0,0,0|1,0,1]=4 3017 B12R0.283 CC(C)CNC(=O)CC(=O)CC#N 1458a_100051588842_100000183291 [0,2,0,0,0,0|1,0,0]=3 3018 B12R0.283 CC(C)CNC(=O)CC(=O)CCO 1458a_100011216618_100000183291 [0,2,0,0,0,0|1,0,0]=3 3019 B12R0.283 CC(C)OCC(=O)CC(=O)NCO 1458a_100000745533_100000185155 [0,2,0,0,0,0|2,0,0]=4 3020 B12R0.283 CC(C)SCC(=O)CC(=O)NCO 1458a_100000241585_100000185155 [0,2,0,0,0,0|2,0,0]=4 3021 B12R0.283 CC=CC(=O)CC(=O)NCC(C)C 1458a_100000210699_100000183291 [0,2,0,0,0,0|1,0,0]=3 3022 B12R0.283 CCCC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000747444 [0,2,0,0,0,0|1,0,1]=4 3023 B12R0.283 CCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747444 [0,2,0,0,0,0|1,0,0]=3 3024 B12R0.283 CCCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747444 [0,2,0,0,0,0|2,0,0]=4 3025 B12R0.283 CCCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747444 [0,2,0,0,0,0|2,0,0]=4 3026 B12R0.283 CCCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747444 [0,2,0,0,0,0|2,0,0]=4 3027 B12R0.283 CCCC(=O)CC(=O)NCC(C)C 1458a_100000211992_100000183291 [0,2,0,0,0,0|1,0,0]=3 3028 B12R0.283 CCCS(=O)CC(=O)CCC(C)C 1458a_100011387404_100000210312 [0,2,0,0,0,0|2,0,0]=4 3029 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 11a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 3030 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 1626a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 3031 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 240690a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 3032 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 527a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 3033 B12R0.283 CCNC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000183381 [0,2,0,0,0,0|1,0,1]=4 3034 B12R0.283 CCNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183381 [0,2,0,0,0,0|1,0,0]=3 3035 B12R0.283 CCNC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000183381 [0,2,0,0,0,0|2,0,0]=4 3036 B12R0.283 CCNC(=O)CC(=O)COC(C)C 1458a_100000745533_100000183381 [0,2,0,0,0,0|2,0,0]=4 3037 B12R0.283 CCNC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000183381 [0,2,0,0,0,0|2,0,0]=4 3038 B12R0.283 CCOC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000188475 [0,2,0,0,0,0|1,0,1]=4 3039 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000188475 [0,2,0,0,0,0|1,0,0]=3 3040 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000243816_100000210312 [0,2,0,0,0,0|1,0,0]=3 3041 B12R0.283 CCOC(=O)CC(=O)CCC(C)O 1458a_100000243816_100012276601 [0,2,0,0,0,0|2,0,0]=4 3042 B12R0.283 CCOC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000188475 [0,2,0,0,0,0|2,0,0]=4 3043 B12R0.283 CCOC(=O)CC(=O)COC(C)C 1458a_100000745533_100000188475 [0,2,0,0,0,0|2,0,0]=4 3044 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000188475 [0,2,0,0,0,0|2,0,0]=4 3045 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210206_100000210311 [0,2,0,0,0,0|2,0,0]=4 3046 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210311_100000210206 [0,2,0,0,0,0|2,0,0]=4 3047 B12R0.283 CCOC(=O)CC(=O)NCC(C)C 240690a_100000210953_100000243816 [0,2,0,0,0,0|1,0,0]=3 3048 B12R0.283 CCOC(=O)CC(=O)NCC(C)O 240690a_100000210904_100000243816 [0,2,0,0,0,0|2,0,0]=4 3049 B12R0.283 CCOC(=O)CC(=O)NNC(C)C 22a_100000741168_100000243816 [0,2,0,0,0,0|2,0,0]=4 3050 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [0,2,0,0,0,0|1,0,1]=4 3051 B12R0.283 COCC(=O)CC(=O)NCC(C)C 1458a_100000210968_100000183291 [0,2,0,0,0,0|1,0,0]=3 3052 B12R0.283 CSCC(=O)CC(=O)NCC(C)C 1458a_100000184570_100000183291 [0,2,0,0,0,0|1,0,0]=3 3053 B12R0.283 C[S+](C)CCC(=O)CC(=O)NCO 1458a_100009452791_100000185155 [0,2,0,0,0,0|2,0,0]=4 3054 B12R0.482 COC(=O)CC(C)(C)OCC(C)C 7a_100015205050_100000210760 [0,2,0,0,0,0|1,0,1]=4 3055 B12R0.482 COC(=O)CS(=O)(=O)NCC(C)C 270084a_100000210953_100000736875 [0,2,0,0,0,0|2,0,0]=4 3056 B12R0.482 COC(=O)CS(=O)(=O)NCC(C)C 274078a_100000210953_100000736875 [0,2,0,0,0,0|2,0,0]=4 3057 B12R0.484 C#CC(=O)CC(=O)OCC(C)(C)C 1458a_100000211873_200010402935 [0,2,0,0,0,0|0,0,1]=3 3058 B12R0.484 C=CC(=O)CC(=O)OCC(C)(C)C 1458a_100000185746_200010402935 [0,2,0,0,0,0|0,0,1]=3 3059 B12R0.484 CC(C)(C)COC(=O)CC(=O)CO 1458a_100000210174_200010402935 [0,2,0,0,0,0|0,0,0]=2 3060 B12R0.484 CCC(=O)CC(=O)C#CC(C)(C)C 1458a_100011966651_100000747405 [0,2,0,0,0,0|1,0,1]=4 3061 B12R0.484 CCC(=O)CC(=O)CCC(C)(C)C 1458a_100000757465_100000747405 [0,2,0,0,0,0|1,0,0]=3 3062 B12R0.484 CCC(=O)CC(=O)CCC(C)(F)F 1458a_100000030992_100000747405 [0,2,0,0,0,0|2,0,0]=4 3063 B12R0.484 CCC(=O)CC(=O)CC[Si](C)(C)C 1458a_100011215282_100000747405 [0,2,0,0,0,0|1,1,0]=4 3064 B12R0.484 CCC(=O)CC(=O)COC(C)(C)C 1458a_100000686494_100000747405 [0,2,0,0,0,0|2,0,0]=4 3065 B12R0.484 CCC(=O)CC(=O)OCC(C)(C)C 1458a_100000210414_200010402935 [0,2,0,0,0,0|0,0,0]=2 3066 B12R0.484 CCN(C)CC(=O)OCC(C)(C)C 2230a_100000225621_200010402935 [0,2,0,0,0,0|2,0,0]=4 3067 B12R0.484 CCN(C)CC(=O)OCC(C)(C)C 269982a_100000225621_200010402935 [0,2,0,0,0,0|2,0,0]=4 3068 B12R0.484 CNC(=O)CC(=O)C#CC(C)(C)C 1458a_100011966651_100000183359 [0,2,0,0,0,0|1,0,1]=4 3069 B12R0.484 CNC(=O)CC(=O)CCC(C)(C)C 1458a_100000757465_100000183359 [0,2,0,0,0,0|1,0,0]=3 3070 B12R0.484 CNC(=O)CC(=O)CCC(C)(F)F 1458a_100000030992_100000183359 [0,2,0,0,0,0|2,0,0]=4 3071 B12R0.484 CNC(=O)CC(=O)CC[Si](C)(C)C 1458a_100011215282_100000183359 [0,2,0,0,0,0|1,1,0]=4 3072 B12R0.484 CNC(=O)CC(=O)COC(C)(C)C 1458a_100000686494_100000183359 [0,2,0,0,0,0|2,0,0]=4 3073 B12R0.484 COC(=O)CC(=O)C#CC(C)(C)C 1458a_100011966651_100000747449 [0,2,0,0,0,0|1,0,1]=4 3074 B12R0.484 COC(=O)CC(=O)CCC(C)(C)C 1458a_100000211351_100000755188 [0,2,0,0,0,0|1,0,0]=3 3075 B12R0.484 COC(=O)CC(=O)CCC(C)(C)C 1458a_100000757465_100000747449 [0,2,0,0,0,0|1,0,0]=3 3076 B12R0.484 COC(=O)CC(=O)CCC(C)(F)F 1458a_100000030992_100000747449 [0,2,0,0,0,0|2,0,0]=4 3077 B12R0.484 COC(=O)CC(=O)CC[N+](C)(C)C 1458a_100000211351_100000085578 [0,2,0,0,0,0|2,0,0]=4 3078 B12R0.484 COC(=O)CC(=O)CC[Si](C)(C)C 1458a_100000211351_200000733723 [0,2,0,0,0,0|1,1,0]=4 3079 B12R0.484 COC(=O)CC(=O)CC[Si](C)(C)C 1458a_100011215282_100000747449 [0,2,0,0,0,0|1,1,0]=4 3080 B12R0.484 COC(=O)CC(=O)COC(C)(C)C 1458a_100000686494_100000747449 [0,2,0,0,0,0|2,0,0]=4 3081 B12R0.484 COC(=O)CC(=O)CSC(C)(C)C 62a_100000210525_100000211941 [0,2,0,0,0,0|2,0,0]=4 3082 B12R0.484 COC(=O)CC(=O)CSC(C)(C)C 62a_100000211941_100000210525 [0,2,0,0,0,0|2,0,0]=4 3083 B12R0.484 COC(=O)CC(=O)NCC(C)(C)C 240690a_100000743828_100000211351 [0,2,0,0,0,0|1,0,0]=3 3084 B12R0.484 COC(=O)CC(=O)NCC(C)(C)F 240690a_100020643315_100000211351 [0,2,0,0,0,0|1,0,0]=3 3085 B12R0.484 COC(=O)CC(=O)NCC(C)(C)O 240690a_100000751335_100000211351 [0,2,0,0,0,0|1,0,0]=3 3086 B12R0.484 COC(=O)CC(=O)NCC(C)(F)F 240690a_100000731000_100000211351 [0,2,0,0,0,0|2,0,0]=4 3087 B12R0.484 COC(=O)CC(=O)NC[Si](C)(C)C 240690a_102516607284_100000211351 [0,2,0,0,0,0|1,1,0]=4 3088 B12R0.484 COC(=O)CC(=O)NNC(C)(C)C 22a_100000725372_100000211351 [0,2,0,0,0,0|2,0,0]=4 3089 B12R0.484 COC(=O)CC(C)OCC(C)(C)F 34a_100000716592_100009817358 [0,2,0,0,0,0|1,0,1]=4 3090 B12R0.33 C=C(C)CC(=O)CCC(OC)OC 1458a_200000082759_100000748629 [0,2,0,0,0,0|2,0,0]=4 3091 B12R0.33 CCC(CC)CNC(=O)CC(=O)N 240690a_100102946423_100134613110 [0,2,0,0,0,0|2,0,0]=4 3092 B12R0.33 CCC(CC)CNC(=O)CC(=O)N 527a_100102946423_100134613110 [0,2,0,0,0,0|2,0,0]=4 3093 B12R0.33 CCC(CNC(=O)CC(=O)N)OC 240690a_100000731041_100134613110 [0,2,0,0,0,0|2,0,0]=4 3094 B12R0.33 CCC(CNC(=O)CC(=O)N)OC 527a_100000731041_100134613110 [0,2,0,0,0,0|2,0,0]=4 3095 B12R0.33 COC(CCC(=O)CC(=O)N)OC 1458a_100134613110_100000139399 [0,2,0,0,0,0|2,0,0]=4 3096 B12R0.33 COC(CCC(=O)CC(=O)N)OC 1458a_200000082759_100000187820 [0,2,0,0,0,0|2,0,0]=4 3097 B12R0.33 COC(CCC(=O)CC(=O)[O-])OC 1458a_200000082759_100020667443 [0,2,0,0,0,0|2,0,0]=4 3098 B12R0.33 COC(CNC(=O)CC(=O)N)OC 240690a_100000210479_100134613110 [0,2,0,0,0,0|2,0,0]=4 3099 B12R0.33 COC(CNC(=O)CC(=O)N)OC 527a_100000210479_100134613110 [0,2,0,0,0,0|2,0,0]=4 3100 B12R0.207 CC(C)(CO)CNC(=O)CC(=O)N 240690a_100020635058_100134613110 [0,2,0,0,0,0|2,0,0]=4 3101 B12R0.207 CC(C)(CO)CNC(=O)CC(=O)N 527a_100020635058_100134613110 [0,2,0,0,0,0|2,0,0]=4 3102 B12R0.207 COC(C)(C)CNC(=O)CC(=O)N 240690a_100000763424_100134613110 [0,2,0,0,0,0|2,0,0]=4 3103 B12R0.207 COC(C)(C)CNC(=O)CC(=O)N 527a_100000763424_100134613110 [0,2,0,0,0,0|2,0,0]=4 3104 B12R0.346 CCC(C)CCC(=O)C(C)C(=O)C 1458a_100000701222_100000179758 [0,2,0,0,0,0|1,0,0]=3 3105 B12R0.346 CCC(C)CCC(=O)C(C)C(=O)N 1458a_100000701222_100000702099 [0,2,0,0,0,0|2,0,0]=4 3106 B12R0.346 CCC(C)CCC(=O)C(F)C(=O)N 1458a_100000701222_100009813875 [0,2,0,0,0,0|2,0,0]=4 3107 B12R0.346 CCC(C)CCC(=O)C(F)C(=O)[O-] 1458a_100000701222_100020610796 [0,2,0,0,0,0|2,0,0]=4 3108 B12R0.346 CCN(C)CCC(=O)C(C)C(=O)C 1458a_100000755305_100000179758 [0,2,0,0,0,0|2,0,0]=4 3109 B12R0.505 CC(=O)CC(C)(C)OC[C@@H](C)CO 7a_100000210262_100000059175 [0,2,0,0,0,0|1,0,1]=4 3110 B12R0.505 CCC(C)COC(C)(C)CC(=O)C 7a_100000210262_100000748023 [0,2,0,0,0,0|1,0,1]=4 3111 B12R0.505 CC[C@H](C)COC(C)(C)CC(=O)C 7a_100000210262_100009816398 [0,2,0,0,0,0|1,0,1]=4 3112 B12R0.870 CCN(CC(C)C)C(=O)CC(=O)N 240690a_100000738554_100134613110 [0,2,0,0,0,0|2,0,0]=4 3113 B12R0.870 CCN(CC(C)C)C(=O)CC(=O)N 527a_100000738554_100134613110 [0,2,0,0,0,0|2,0,0]=4 3114 B12R0.391 C=C(C)CC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000748629 [0,2,0,0,0,0|2,0,0]=4 3115 B12R0.391 CC(=O)CC(=O)C(F)(F)SC(C)C 62a_100000042429_100000210206 [0,2,0,0,0,0|2,0,0]=4 3116 B12R0.391 CC(=O)CC(=O)C(F)(F)SC(C)C 62a_100000210206_100000042429 [0,2,0,0,0,0|2,0,0]=4 3117 B12R0.391 CC(C)CC(C)(O)C(=O)CC(=O)N 1458a_100011434877_100000187820 [0,2,0,0,0,0|2,0,0]=4 3118 B12R0.391 CC(C)CC(C)(O)C(=O)CC(=O)[O-] 1458a_100011434877_100020667443 [0,2,0,0,0,0|2,0,0]=4 3119 B12R0.260 CC(C)CCC(=O)C(F)(F)C(=O)N 1458a_100000181311_100009811971 [0,2,0,0,0,0|2,0,0]=4 3120 B12R0.583 CCC(C(=O)N)C(=O)CCC(C)C 1458a_100000181311_100000750255 [0,2,0,0,0,0|2,0,0]=4 3121 B12R0.947 CC(=O)C(C)C(=O)C#CC(C)(C)C 1458a_100011966651_100000179758 [0,2,0,0,0,0|1,0,1]=4 3122 B12R0.947 CC(=O)C(C)C(=O)CCC(C)(C)C 1458a_100000757465_100000179758 [0,2,0,0,0,0|1,0,0]=3 3123 B12R0.947 CC(=O)C(C)C(=O)CCC(C)(F)F 1458a_100000030992_100000179758 [0,2,0,0,0,0|2,0,0]=4 3124 B12R0.947 CC(=O)C(C)C(=O)CC[Si](C)(C)C 1458a_100011215282_100000179758 [0,2,0,0,0,0|1,1,0]=4 3125 B12R0.947 CC(=O)C(C)C(=O)COC(C)(C)C 1458a_100000686494_100000179758 [0,2,0,0,0,0|2,0,0]=4 3126 B12R0.947 CC(C(=O)N)C(=O)CCC(C)(C)C 1458a_100000757465_100000702099 [0,2,0,0,0,0|2,0,0]=4 3127 B12R0.947 CC(C)(C)CCC(=O)C(F)C(=O)N 1458a_100000757465_100009813875 [0,2,0,0,0,0|2,0,0]=4 3128 B12R0.947 CC(C)(C)CCC(=O)C(F)C(=O)[O-] 1458a_100000757465_100020610796 [0,2,0,0,0,0|2,0,0]=4 3129 B12R0.396 CC(=O)CC(C)(C)OCC(C)(C)O 7a_100000210262_100000764493 [0,2,0,0,0,0|1,0,1]=4 3130 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|1,0,1]=4 3131 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [1,0,0,1,0,0|2,0,0]=4 3132 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|1,0,1]=4 3133 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|1,0,1]=4 3134 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [1,0,0,1,0,0|2,0,0]=4 3135 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|1,0,1]=4 3136 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,0,0,1,0,0|1,0,0]=3 3137 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [1,0,0,1,0,0|1,0,0]=3 3138 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [1,0,0,1,0,0|1,0,0]=3 3139 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [1,0,0,1,0,0|2,0,0]=4 3140 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [1,0,0,1,0,0|1,0,0]=3 3141 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [1,0,0,1,0,0|2,0,0]=4 3142 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [1,0,0,1,0,0|2,0,0]=4 3143 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [1,0,0,1,0,0|2,0,0]=4 3144 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [1,0,0,1,0,0|2,0,0]=4 3145 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [1,0,0,1,0,0|1,0,0]=3 3146 B10R1.266 CC(=O)CC(=O)N1CCC1 1458a_100000070787_100000185095 [1,0,0,1,0,0|1,0,0]=3 3147 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [1,0,0,1,0,0|2,0,0]=4 3148 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [1,0,0,1,0,0|2,0,0]=4 3149 B10R1.266 NC(=O)CC(=O)N1CCC1 240690a_100000754969_100134613110 [1,0,0,1,0,0|2,0,0]=4 3150 B10R1.266 NC(=O)CC(=O)N1CCC1 527a_100000754969_100134613110 [1,0,0,1,0,0|2,0,0]=4 3151 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [1,0,0,1,0,0|2,0,0]=4 3152 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [1,0,0,1,0,0|2,0,0]=4 3153 B10R1.268 CC(=O)CC(=O)NC1CC1 1458a_100000070787_100000182950 [1,0,0,1,0,0|1,0,0]=3 3154 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [1,0,0,1,0,0|2,0,0]=4 3155 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [1,0,0,1,0,0|2,0,0]=4 3156 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [1,0,0,1,0,0|2,0,0]=4 3157 B10R1.268 NC(=O)CC(=O)NC1CC1 240690a_100000212008_100134613110 [1,0,0,1,0,0|2,0,0]=4 3158 B10R1.268 NC(=O)CC(=O)NC1CC1 527a_100000212008_100134613110 [1,0,0,1,0,0|2,0,0]=4 3159 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [1,0,0,1,0,0|2,0,0]=4 3160 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [1,0,0,1,0,0|2,0,0]=4 3161 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 34a_100009815050_200025704644 [1,0,0,1,0,0|1,0,0]=3 3162 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 7a_100009815050_200025704644 [1,0,0,1,0,0|1,0,0]=3 3163 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 34a_100009815050_200000210301 [1,0,0,1,0,0|1,0,0]=3 3164 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 7a_100009815050_200000210301 [1,0,0,1,0,0|1,0,0]=3 3165 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [1,0,0,1,0,0|1,0,1]=4 3166 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [1,0,0,1,0,0|1,0,1]=4 3167 B10R1.138 C=CCC(=O)NCC1CC1 11a_100000735609_100000210193 [1,0,0,1,0,0|1,0,1]=4 3168 B10R1.138 C=CCC(=O)NCC1CC1 1626a_100000735609_100000210193 [1,0,0,1,0,0|1,0,1]=4 3169 B10R1.138 C=CCC(=O)NCC1CC1 240690a_100000735609_100000210193 [1,0,0,1,0,0|1,0,1]=4 3170 B10R1.138 C=CCC(=O)NCC1CC1 527a_100000735609_100000210193 [1,0,0,1,0,0|1,0,1]=4 3171 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [1,0,0,1,0,0|1,0,1]=4 3172 B10R1.138 CC=CC(=O)NCC1CC1 11a_100000735609_100000210699 [1,0,0,1,0,0|1,0,1]=4 3173 B10R1.138 CC=CC(=O)NCC1CC1 1626a_100000735609_100000210699 [1,0,0,1,0,0|1,0,1]=4 3174 B10R1.138 CC=CC(=O)NCC1CC1 240690a_100000735609_100000210699 [1,0,0,1,0,0|1,0,1]=4 3175 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|1,0,1]=4 3176 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|1,0,1]=4 3177 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [1,0,0,1,0,0|1,0,1]=4 3178 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [1,0,0,1,0,0|1,0,1]=4 3179 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [1,0,0,1,0,0|1,0,1]=4 3180 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [1,0,0,1,0,0|1,0,1]=4 3181 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [1,0,0,1,0,0|2,0,0]=4 3182 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 3183 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 3184 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 3185 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 3186 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [1,0,0,1,0,0|2,0,0]=4 3187 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 3188 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 3189 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 3190 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 3191 B10R1.140 C=CCC(=O)C1CC(C1)C 1458a_100000686124_100000210623 [1,0,0,1,0,0|1,0,1]=4 3192 B10R1.140 C=CCC(=O)N1CC(C1)C 11a_100000702820_100000210193 [1,0,0,1,0,0|1,0,1]=4 3193 B10R1.140 C=CCC(=O)N1CC(C1)C 240690a_100000702820_100000210193 [1,0,0,1,0,0|1,0,1]=4 3194 B10R1.140 C=CCC(=O)N1CC(C1)C 527a_100000702820_100000210193 [1,0,0,1,0,0|1,0,1]=4 3195 B10R1.140 CC=CC(=O)N1CC(C1)C 11a_100000702820_100000210699 [1,0,0,1,0,0|1,0,1]=4 3196 B10R1.140 CC=CC(=O)N1CC(C1)C 240690a_100000702820_100000210699 [1,0,0,1,0,0|1,0,1]=4 3197 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [1,0,0,1,0,0|1,0,1]=4 3198 B10R1.140 CCCC(=O)N1CC(C1)C 11a_100000702820_100000211992 [1,0,0,1,0,0|1,0,1]=4 3199 B10R1.140 CCCC(=O)N1CC(C1)C 240690a_100000702820_100000211992 [1,0,0,1,0,0|1,0,1]=4 3200 B10R1.140 CCCC(=O)N1CC(C1)C 527a_100000702820_100000211992 [1,0,0,1,0,0|1,0,1]=4 3201 B10R1.140 COCC(=O)N1CC(C1)C 11a_100000702820_100000210968 [1,0,0,1,0,0|2,0,0]=4 3202 B10R1.140 COCC(=O)N1CC(C1)C 240690a_100000702820_100000210968 [1,0,0,1,0,0|2,0,0]=4 3203 B10R1.140 COCC(=O)N1CC(C1)C 527a_100000702820_100000210968 [1,0,0,1,0,0|2,0,0]=4 3204 B10R1.140 CSCC(=O)N1CC(C1)C 11a_100000702820_100000184570 [1,0,0,1,0,0|2,0,0]=4 3205 B10R1.140 CSCC(=O)N1CC(C1)C 240690a_100000702820_100000184570 [1,0,0,1,0,0|2,0,0]=4 3206 B10R1.140 CSCC(=O)N1CC(C1)C 527a_100000702820_100000184570 [1,0,0,1,0,0|2,0,0]=4 3207 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [1,0,0,1,0,0|1,0,1]=4 3208 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [1,0,0,1,0,0|2,0,0]=4 3209 B10R1.211 CC(C)CNC(=O)C1CC1 11a_100000210953_100000210395 [1,0,0,1,0,0|1,0,1]=4 3210 B10R1.211 CC(C)CNC(=O)C1CC1 1626a_100000210953_100000210395 [1,0,0,1,0,0|1,0,1]=4 3211 B10R1.211 CC(C)CNC(=O)C1CC1 240690a_100000210953_100000210395 [1,0,0,1,0,0|1,0,1]=4 3212 B10R1.211 CC(C)CNC(=O)C1CC1 527a_100000210953_100000210395 [1,0,0,1,0,0|1,0,1]=4 3213 B10R1.211 CC(C)CNC(=O)C1CO1 11a_100000210953_100000701028 [1,0,0,1,0,0|2,0,0]=4 3214 B10R1.211 CC(C)CNC(=O)C1CO1 1626a_100000210953_100000701028 [1,0,0,1,0,0|2,0,0]=4 3215 B10R1.211 CC(C)CNC(=O)C1CO1 240690a_100000210953_100000701028 [1,0,0,1,0,0|2,0,0]=4 3216 B10R1.211 CC(C)CNC(=O)C1CO1 527a_100000210953_100000701028 [1,0,0,1,0,0|2,0,0]=4 3217 B10R1.211 CN(C)COC(=O)C1CC1 2230a_100102631434_100000140896 [1,0,0,1,0,0|1,0,1]=4 3218 B10R1.211 CN(C)COC(=O)C1CC1 269982a_100102631434_100000140896 [1,0,0,1,0,0|1,0,1]=4 3219 B10R1.400 C=CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210623 [1,0,0,1,0,0|1,0,1]=4 3220 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [1,0,0,1,0,0|1,0,1]=4 3221 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [1,0,0,1,0,0|1,0,1]=4 3222 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [1,0,0,1,0,0|1,0,1]=4 3223 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [1,0,0,1,0,0|0,0,1]=3 3224 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [1,0,0,1,0,0|0,0,1]=3 3225 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [1,0,0,1,0,0|1,0,1]=4 3226 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [1,0,0,1,0,0|1,0,1]=4 3227 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [1,0,0,1,0,0|1,0,1]=4 3228 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [1,0,0,1,0,0|1,0,1]=4 3229 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [1,0,0,1,0,0|0,1,1]=4 3230 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [1,0,0,1,0,0|0,1,1]=4 3231 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,0,0,1,0,0|2,0,0]=4 3232 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [1,0,0,1,0,0|1,0,1]=4 3233 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [1,0,0,1,0,0|1,0,1]=4 3234 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [1,0,0,1,0,0|1,0,1]=4 3235 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [1,0,0,1,0,0|1,0,1]=4 3236 B10R1.128 CC(=O)N1COCC1(C)C 1626a_100000043020_100015343762 [1,0,0,1,0,0|1,0,1]=4 3237 B10R1.128 CC(=O)N1COCC1(C)C 240690a_100000043020_100015343762 [1,0,0,1,0,0|1,0,1]=4 3238 B10R1.58 CC1=CC(OC1=O)N(C)C 2230a_100102631434_200009893386 [0,0,0,1,1,0|2,0,0]=4 3239 B10R1.81 C=C(C)C(=O)N1CC(C1)C 11a_100000702820_100000185857 [0,0,0,1,1,0|2,0,0]=4 3240 B10R1.81 CC1CN(C1)C(=O)C(=O)N 240690a_100000702820_100011215815 [0,0,0,1,1,0|2,0,0]=4 3241 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,0,0,1,1,0|1,0,1]=4 3242 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,0,0,1,1,0|2,0,0]=4 3243 B10R1.205 C=C(C)C(=O)NCC1CC1 11a_100000735609_100000185857 [0,0,0,1,1,0|2,0,0]=4 3244 B10R1.205 C=C(C)C(=O)NCC1CC1 1626a_100000735609_100000185857 [0,0,0,1,1,0|2,0,0]=4 3245 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,0,0,1,1,0|2,0,0]=4 3246 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,0,0,1,1,0|2,0,0]=4 3247 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,0,0,1,1,0|1,0,1]=4 3248 B10R1.205 NC(=O)C(=O)NCC1CC1 240690a_100000735609_100011215815 [0,0,0,1,1,0|2,0,0]=4 3249 B12R1.103 C[C@@H]1CCN(C1)C(=O)CC(=O)N 240690a_100016987628_100134613110 [0,0,0,1,0,1|2,0,0]=4 3250 B12R1.103 C[C@@H]1CCN(C1)C(=O)CC(=O)N 527a_100016987628_100134613110 [0,0,0,1,0,1|2,0,0]=4 3251 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,0,0,1,0,1|1,0,1]=4 3252 B12R1.105 CC(C)OCOC1CCC(=O)C1 34a_100012614533_100000709892 [0,0,0,1,0,1|1,0,1]=4 3253 B12R1.389 CC(=O)Cc1cc(on1)C(C)C 1458a_100000070787_100012000507 [0,0,0,1,0,1|1,0,1]=4 3254 B12R1.389 CC(=O)Cc1nc(no1)C(C)C 1458a_100000070787_100000735703 [0,0,0,1,0,1|1,0,1]=4 3255 B12R1.389 CC(=O)Cc1noc(n1)C(C)C 1458a_100000070787_100000744480 [0,0,0,1,0,1|1,0,1]=4 3256 B12R1.389 CC(=O)Cc1noc(n1)C(C)C 270196a_100011229364_100000210198 [0,0,0,1,0,1|1,0,1]=4 3257 B12R1.861 CC(C)CNC1CC(=O)NC1=O 2230a_100102712934_100000210760 [0,0,0,1,0,1|2,0,0]=4 3258 B12R1.1061 CC(=O)NC(=O)CN1CC(C1)C 269982a_100000702820_100000183797 [0,0,0,1,0,1|2,0,0]=4 3259 B12R1.1359 CC(C)COCC(=O)CC1CC1 1458a_100011223364_100000742324 [0,0,0,1,0,1|1,0,1]=4 3260 B12R1.1359 CC(C)COCC(=O)CC1CO1 1458a_100011223364_100011216344 [0,0,0,1,0,1|0,0,2]=4 3261 B12R1.1359 CC(C)COCC(=O)CC1CS1 1458a_100011223364_100000031435 [0,0,0,1,0,1|0,1,1]=4 3262 B12R1.1359 CC(C)COCC(=O)C[C@@H]1CO1 1458a_100011223364_100000745022 [0,0,0,1,0,1|0,0,2]=4 3263 B12R1.1377 C=C(C)CC(=O)CSCC1CC1 1458a_200011316215_100000748629 [0,0,0,1,0,1|1,1,0]=4 3264 B12R1.1377 CC(=O)NC(=O)CSCC1CC1 62a_100000756562_100000183797 [0,0,0,1,0,1|1,1,0]=4 3265 B12R1.1377 NC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000187820 [0,0,0,1,0,1|1,1,0]=4 3266 B12R1.1377 NC(=O)CC(=O)NCCC1CC1 240690a_100000764129_100134613110 [0,0,0,1,0,1|2,0,0]=4 3267 B12R1.1377 NC(=O)CC(=O)NCCC1CC1 527a_100000764129_100134613110 [0,0,0,1,0,1|2,0,0]=4 3268 B12R1.1377 NC(=O)CC(=O)NNCC1CC1 22a_100000736359_100134613110 [0,0,0,1,0,1|2,0,0]=4 3269 B12R1.1377 O=C([O-])CC(=O)CSCC1CC1 1458a_200011316215_100020667443 [0,0,0,1,0,1|1,1,0]=4 3270 B12R1.21 CC(C)COC1CCC(=O)CC1 34a_100000764474_100000210624 [0,0,0,1,0,1|1,0,1]=4 3271 B12R1.21 CC(C)COC1CCC(=O)CC1 7a_100000764474_100000210760 [0,0,0,1,0,1|1,0,1]=4 3272 B12R1.21 CC(C)COC1CCC(=O)NC1 34a_100000079199_100000210624 [0,0,0,1,0,1|1,0,1]=4 3273 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000194580 [0,0,0,1,0,1|2,0,0]=4 3274 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000194580 [0,0,0,1,0,1|2,0,0]=4 3275 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000194580 [0,0,0,1,0,1|2,0,0]=4 3276 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000194580 [0,0,0,1,0,1|2,0,0]=4 3277 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000194580 [0,0,0,1,0,1|2,0,0]=4 3278 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000194580 [0,0,0,1,0,1|2,0,0]=4 3279 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000183556 [0,0,0,1,0,1|2,0,0]=4 3280 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000183556 [0,0,0,1,0,1|2,0,0]=4 3281 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000183556 [0,0,0,1,0,1|2,0,0]=4 3282 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000183556 [0,0,0,1,0,1|2,0,0]=4 3283 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000183556 [0,0,0,1,0,1|2,0,0]=4 3284 B12R1.147 CC(=O)SCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000049016 [0,0,0,1,0,1|2,0,0]=4 3285 B12R1.147 CC(=O)SCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000049016 [0,0,0,1,0,1|2,0,0]=4 3286 B12R1.147 CC(=O)SCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000049016 [0,0,0,1,0,1|2,0,0]=4 3287 B12R1.147 CC(=O)SCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000049016 [0,0,0,1,0,1|2,0,0]=4 3288 B12R1.221 C=C(C)CCC(=O)C1CC(C1)C 1458a_100000686124_100000730704 [0,0,0,1,0,1|2,0,0]=4 3289 B12R1.221 C=C(C)CCC(=O)N1CC(C1)C 11a_100000702820_200000688413 [0,0,0,1,0,1|2,0,0]=4 3290 B12R1.221 C=C(C)CCC(=O)N1CC(C1)C 240690a_100000702820_200000688413 [0,0,0,1,0,1|2,0,0]=4 3291 B12R1.221 C=C(C)CCC(=O)N1CC(C1)C 527a_100000702820_200000688413 [0,0,0,1,0,1|2,0,0]=4 3292 B12R1.221 C=C(C)CNC(=O)C1CC(C1)C 11a_100000765925_100000686124 [0,0,0,1,0,1|2,0,0]=4 3293 B12R1.221 C=C(C)CNC(=O)C1CC(C1)C 1626a_100000765925_100000686124 [0,0,0,1,0,1|2,0,0]=4 3294 B12R1.221 C=C(C)CNC(=O)C1CC(C1)C 240690a_100000765925_100000686124 [0,0,0,1,0,1|2,0,0]=4 3295 B12R1.221 C=C(C)CNC(=O)C1CC(C1)C 527a_100000765925_100000686124 [0,0,0,1,0,1|2,0,0]=4 3296 B12R1.221 C=C(C)CNC(=O)N1CC(C1)C 2708a_100000765925_100000702820 [0,0,0,1,0,1|2,0,0]=4 3297 B12R1.221 C=C(C)CNC(=O)N1CC(C1)C 273464a_100000765925_100000702820 [0,0,0,1,0,1|2,0,0]=4 3298 B12R1.221 C=C1CC(C1)C(=O)CCC(C)C 1458a_100000065620_100000210312 [0,0,0,1,0,1|2,0,0]=4 3299 B12R1.221 C=C1CC(C1)C(=O)NCC(C)C 11a_100000210953_100000065620 [0,0,0,1,0,1|2,0,0]=4 3300 B12R1.221 C=C1CC(C1)C(=O)NCC(C)C 1626a_100000210953_100000065620 [0,0,0,1,0,1|2,0,0]=4 3301 B12R1.221 C=C1CC(C1)C(=O)NCC(C)C 240690a_100000210953_100000065620 [0,0,0,1,0,1|2,0,0]=4 3302 B12R1.221 C=C1CC(C1)C(=O)NCC(C)C 527a_100000210953_100000065620 [0,0,0,1,0,1|2,0,0]=4 3303 B12R1.221 CC(=CCC(=O)C1CC(C1)C)C 1458a_100000686124_100000761012 [0,0,0,1,0,1|2,0,0]=4 3304 B12R1.221 CC(=CCC(=O)N1CC(C1)C)C 11a_100000702820_100011220947 [0,0,0,1,0,1|2,0,0]=4 3305 B12R1.221 CC(=CCC(=O)N1CC(C1)C)C 240690a_100000702820_100011220947 [0,0,0,1,0,1|2,0,0]=4 3306 B12R1.221 CC(=CCC(=O)N1CC(C1)C)C 527a_100000702820_100011220947 [0,0,0,1,0,1|2,0,0]=4 3307 B12R1.221 CC(=O)NCC(=O)N1CC(C1)C 11a_100000702820_100000194580 [0,0,0,1,0,1|1,0,0]=3 3308 B12R1.221 CC(=O)NCC(=O)N1CC(C1)C 240690a_100000702820_100000194580 [0,0,0,1,0,1|1,0,0]=3 3309 B12R1.221 CC(=O)NCC(=O)N1CC(C1)C 527a_100000702820_100000194580 [0,0,0,1,0,1|1,0,0]=3 3310 B12R1.221 CC(=O)NCC(=O)N1CC(C1)F 11a_100000690557_100000194580 [0,0,0,1,0,1|2,0,0]=4 3311 B12R1.221 CC(=O)NCC(=O)N1CC(C1)F 240690a_100000690557_100000194580 [0,0,0,1,0,1|2,0,0]=4 3312 B12R1.221 CC(=O)NCC(=O)N1CC(C1)F 527a_100000690557_100000194580 [0,0,0,1,0,1|2,0,0]=4 3313 B12R1.221 CC(=O)NCC(=O)N1CC(C1)O 11a_100000749847_100000194580 [0,0,0,1,0,1|2,0,0]=4 3314 B12R1.221 CC(=O)NCC(=O)N1CC(C1)O 240690a_100000749847_100000194580 [0,0,0,1,0,1|2,0,0]=4 3315 B12R1.221 CC(=O)NCC(=O)N1CC(C1)O 527a_100000749847_100000194580 [0,0,0,1,0,1|2,0,0]=4 3316 B12R1.221 CC(=O)NNC(=O)C1CC(C1)C 22a_100000189765_100000686124 [0,0,0,1,0,1|2,0,0]=4 3317 B12R1.221 CC(=O)OCC(=O)N1CC(C1)C 240690a_100000702820_100000183556 [0,0,0,1,0,1|1,0,0]=3 3318 B12R1.221 CC(=O)OCC(=O)N1CC(C1)C 527a_100000702820_100000183556 [0,0,0,1,0,1|1,0,0]=3 3319 B12R1.221 CC(=O)OCC(=O)N1CC(C1)F 240690a_100000690557_100000183556 [0,0,0,1,0,1|2,0,0]=4 3320 B12R1.221 CC(=O)OCC(=O)N1CC(C1)F 527a_100000690557_100000183556 [0,0,0,1,0,1|2,0,0]=4 3321 B12R1.221 CC(=O)OCC(=O)N1CC(C1)O 240690a_100000749847_100000183556 [0,0,0,1,0,1|2,0,0]=4 3322 B12R1.221 CC(=O)OCC(=O)N1CC(C1)O 527a_100000749847_100000183556 [0,0,0,1,0,1|2,0,0]=4 3323 B12R1.221 CC(=O)SCC(=O)N1CC(C1)C 11a_100000702820_100000049016 [0,0,0,1,0,1|1,0,0]=3 3324 B12R1.221 CC(=O)SCC(=O)N1CC(C1)C 240690a_100000702820_100000049016 [0,0,0,1,0,1|1,0,0]=3 3325 B12R1.221 CC(=O)SCC(=O)N1CC(C1)F 11a_100000690557_100000049016 [0,0,0,1,0,1|2,0,0]=4 3326 B12R1.221 CC(=O)SCC(=O)N1CC(C1)F 240690a_100000690557_100000049016 [0,0,0,1,0,1|2,0,0]=4 3327 B12R1.221 CC(=O)SCC(=O)N1CC(C1)O 11a_100000749847_100000049016 [0,0,0,1,0,1|2,0,0]=4 3328 B12R1.221 CC(=O)SCC(=O)N1CC(C1)O 240690a_100000749847_100000049016 [0,0,0,1,0,1|2,0,0]=4 3329 B12R1.221 CC(C)CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210312 [0,0,0,1,0,1|1,0,0]=3 3330 B12R1.221 CC(C)CNC(=O)[C@@H]1CC(=O)N1 527a_100000210953_100016090685 [0,0,0,1,0,1|1,0,0]=3 3331 B12R1.221 CC(C)NNC(=O)[C@@H]1CC(=O)N1 22a_100000741168_100016090685 [0,0,0,1,0,1|2,0,0]=4 3332 B12R1.221 CC(O)CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100012276601 [0,0,0,1,0,1|2,0,0]=4 3333 B12R1.221 CC(O)CNC(=O)[C@@H]1CC(=O)N1 527a_100000210904_100016090685 [0,0,0,1,0,1|2,0,0]=4 3334 B12R1.221 CC1CC(C1)C(=O)NCC(=O)N 11a_100000711301_100000686124 [0,0,0,1,0,1|2,0,0]=4 3335 B12R1.221 CC1CC(C1)C(=O)NCC(=O)N 240690a_100000711301_100000686124 [0,0,0,1,0,1|2,0,0]=4 3336 B12R1.221 CC1CC(C1)C(=O)NCC(=O)N 527a_100000711301_100000686124 [0,0,0,1,0,1|2,0,0]=4 3337 B12R1.221 CC1CN(C1)C(=O)CCC(=O)N 240690a_100000702820_100011215257 [0,0,0,1,0,1|2,0,0]=4 3338 B12R1.221 CC1CN(C1)C(=O)CCC(=O)N 527a_100000702820_100011215257 [0,0,0,1,0,1|2,0,0]=4 3339 B12R1.221 CC1CN(C1)C(=O)CNC(=O)N 240690a_100000702820_100000184981 [0,0,0,1,0,1|2,0,0]=4 3340 B12R1.221 CC1CN(C1)C(=O)CNC(=O)N 527a_100000702820_100000184981 [0,0,0,1,0,1|2,0,0]=4 3341 B12R1.221 CC1CN(C1)C(=O)CSC(=O)N 240690a_100000702820_200015941356 [0,0,0,1,0,1|2,0,0]=4 3342 B12R1.221 CC1CN(C1)C(=O)NCC(=O)N 273464a_100000711301_100000702820 [0,0,0,1,0,1|2,0,0]=4 3343 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_100000756386_100000730704 [0,0,0,1,0,1|2,0,0]=4 3344 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_200000688413_100000694398 [0,0,0,1,0,1|2,0,0]=4 3345 B12R1.552 C=C(C)CCC(=O)NCC1CC1 11a_100000735609_200000688413 [0,0,0,1,0,1|2,0,0]=4 3346 B12R1.552 C=C(C)CCC(=O)NCC1CC1 1626a_100000735609_200000688413 [0,0,0,1,0,1|2,0,0]=4 3347 B12R1.552 C=C(C)CCC(=O)NCC1CC1 240690a_100000735609_200000688413 [0,0,0,1,0,1|2,0,0]=4 3348 B12R1.552 C=C(C)CCC(=O)NCC1CC1 527a_100000735609_200000688413 [0,0,0,1,0,1|2,0,0]=4 3349 B12R1.552 C=C(C)CNC(=O)CCC1CC1 11a_100000765925_100000756386 [0,0,0,1,0,1|2,0,0]=4 3350 B12R1.552 C=C(C)CNC(=O)CCC1CC1 1626a_100000765925_100000756386 [0,0,0,1,0,1|2,0,0]=4 3351 B12R1.552 C=C(C)CNC(=O)CCC1CC1 240690a_100000765925_100000756386 [0,0,0,1,0,1|2,0,0]=4 3352 B12R1.552 C=C(C)CNC(=O)CCC1CC1 527a_100000765925_100000756386 [0,0,0,1,0,1|2,0,0]=4 3353 B12R1.552 C=C(C)CNC(=O)NCC1CC1 2708a_100000735609_100000765925 [0,0,0,1,0,1|2,0,0]=4 3354 B12R1.552 C=C(C)CNC(=O)NCC1CC1 2708a_100000765925_100000735609 [0,0,0,1,0,1|2,0,0]=4 3355 B12R1.552 C=C(C)CNC(=O)NCC1CC1 273464a_100000735609_100000765925 [0,0,0,1,0,1|2,0,0]=4 3356 B12R1.552 C=C(C)CNC(=O)NCC1CC1 273464a_100000765925_100000735609 [0,0,0,1,0,1|2,0,0]=4 3357 B12R1.552 C=C(C)CNC(=O)NCC1CC1 512a_100000735609_100000765925 [0,0,0,1,0,1|2,0,0]=4 3358 B12R1.552 C=C(C)CNC(=O)NCC1CC1 512a_100000765925_100000735609 [0,0,0,1,0,1|2,0,0]=4 3359 B12R1.552 CC(=CCC(=O)CCC1CC1)C 1458a_100000756386_100000761012 [0,0,0,1,0,1|2,0,0]=4 3360 B12R1.552 CC(=CCC(=O)CCC1CC1)C 1458a_100011220947_100000694398 [0,0,0,1,0,1|2,0,0]=4 3361 B12R1.552 CC(=CCC(=O)NCC1CC1)C 11a_100000735609_100011220947 [0,0,0,1,0,1|2,0,0]=4 3362 B12R1.552 CC(=CCC(=O)NCC1CC1)C 1626a_100000735609_100011220947 [0,0,0,1,0,1|2,0,0]=4 3363 B12R1.552 CC(=CCC(=O)NCC1CC1)C 240690a_100000735609_100011220947 [0,0,0,1,0,1|2,0,0]=4 3364 B12R1.552 CC(=CCC(=O)NCC1CC1)C 527a_100000735609_100011220947 [0,0,0,1,0,1|2,0,0]=4 3365 B12R1.552 CC(=O)NCC(=O)CCC1CC1 1458a_100000194580_100000694398 [0,0,0,1,0,1|1,0,0]=3 3366 B12R1.552 CC(=O)NCC(=O)CCC1CO1 1458a_100000194580_100000732470 [0,0,0,1,0,1|2,0,0]=4 3367 B12R1.552 CC(=O)NCC(=O)NCC1CC1 11a_100000735609_100000194580 [0,0,0,1,0,1|1,0,0]=3 3368 B12R1.552 CC(=O)NCC(=O)NCC1CC1 1626a_100000735609_100000194580 [0,0,0,1,0,1|1,0,0]=3 3369 B12R1.552 CC(=O)NCC(=O)NCC1CC1 240690a_100000735609_100000194580 [0,0,0,1,0,1|1,0,0]=3 3370 B12R1.552 CC(=O)NCC(=O)NCC1CC1 527a_100000735609_100000194580 [0,0,0,1,0,1|1,0,0]=3 3371 B12R1.552 CC(=O)NCC(=O)NNC1CC1 22a_100000701032_100000194580 [0,0,0,1,0,1|2,0,0]=4 3372 B12R1.552 CC(=O)NNC(=O)CCC1CC1 22a_100000189765_100000756386 [0,0,0,1,0,1|2,0,0]=4 3373 B12R1.552 CC(=O)NNC(=O)NCC1CC1 273464a_100000735609_100000189765 [0,0,0,1,0,1|2,0,0]=4 3374 B12R1.552 CC(=O)NNC(=O)NCC1CC1 512a_100000189765_100000735609 [0,0,0,1,0,1|2,0,0]=4 3375 B12R1.552 CC(=O)OCC(=O)CCC1CC1 1458a_100000183556_100000694398 [0,0,0,1,0,1|1,0,0]=3 3376 B12R1.552 CC(=O)OCC(=O)CCC1CO1 1458a_100000183556_100000732470 [0,0,0,1,0,1|2,0,0]=4 3377 B12R1.552 CC(=O)OCC(=O)CNC1CC1 34a_100000212008_100000036994 [0,0,0,1,0,1|2,0,0]=4 3378 B12R1.552 CC(=O)OCC(=O)CSC1CC1 62a_100000036994_100000211595 [0,0,0,1,0,1|2,0,0]=4 3379 B12R1.552 CC(=O)OCC(=O)NCC1CC1 1626a_100000735609_100000183556 [0,0,0,1,0,1|1,0,0]=3 3380 B12R1.552 CC(=O)OCC(=O)NCC1CC1 240690a_100000735609_100000183556 [0,0,0,1,0,1|1,0,0]=3 3381 B12R1.552 CC(=O)OCC(=O)NCC1CC1 527a_100000735609_100000183556 [0,0,0,1,0,1|1,0,0]=3 3382 B12R1.552 CC(=O)OCC(=O)NNC1CC1 22a_100000701032_100000183556 [0,0,0,1,0,1|2,0,0]=4 3383 B12R1.552 CC(=O)SCC(=O)CCC1CC1 1458a_100000049016_100000694398 [0,0,0,1,0,1|1,0,0]=3 3384 B12R1.552 CC(=O)SCC(=O)CCC1CO1 1458a_100000049016_100000732470 [0,0,0,1,0,1|2,0,0]=4 3385 B12R1.552 CC(=O)SCC(=O)NCC1CC1 11a_100000735609_100000049016 [0,0,0,1,0,1|1,0,0]=3 3386 B12R1.552 CC(=O)SCC(=O)NCC1CC1 1626a_100000735609_100000049016 [0,0,0,1,0,1|1,0,0]=3 3387 B12R1.552 CC(=O)SCC(=O)NCC1CC1 240690a_100000735609_100000049016 [0,0,0,1,0,1|1,0,0]=3 3388 B12R1.552 NC(=O)CCC(=O)CCC1CC1 1458a_100011215257_100000694398 [0,0,0,1,0,1|2,0,0]=4 3389 B12R1.552 NC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100011215257 [0,0,0,1,0,1|2,0,0]=4 3390 B12R1.552 NC(=O)CCC(=O)NCC1CC1 527a_100000735609_100011215257 [0,0,0,1,0,1|2,0,0]=4 3391 B12R1.552 NC(=O)CNC(=O)CCC1CC1 11a_100000711301_100000756386 [0,0,0,1,0,1|2,0,0]=4 3392 B12R1.552 NC(=O)CNC(=O)CCC1CC1 240690a_100000711301_100000756386 [0,0,0,1,0,1|2,0,0]=4 3393 B12R1.552 NC(=O)CNC(=O)CCC1CC1 527a_100000711301_100000756386 [0,0,0,1,0,1|2,0,0]=4 3394 B12R1.552 NC(=O)CNC(=O)NCC1CC1 2708a_100000735609_100000711301 [0,0,0,1,0,1|2,0,0]=4 3395 B12R1.552 NC(=O)CNC(=O)NCC1CC1 273464a_100000711301_100000735609 [0,0,0,1,0,1|2,0,0]=4 3396 B12R1.552 NC(=O)CNC(=O)NCC1CC1 273464a_100000735609_100000711301 [0,0,0,1,0,1|2,0,0]=4 3397 B12R1.552 NC(=O)CNC(=O)NCC1CC1 512a_100000735609_100000711301 [0,0,0,1,0,1|2,0,0]=4 3398 B12R1.552 NC(=O)NCC(=O)CCC1CC1 1458a_100000184981_100000694398 [0,0,0,1,0,1|2,0,0]=4 3399 B12R1.552 NC(=O)NCC(=O)NCC1CC1 240690a_100000735609_100000184981 [0,0,0,1,0,1|2,0,0]=4 3400 B12R1.552 NC(=O)NCC(=O)NCC1CC1 527a_100000735609_100000184981 [0,0,0,1,0,1|2,0,0]=4 3401 B12R1.552 NC(=O)SCC(=O)NCC1CC1 240690a_100000735609_200015941356 [0,0,0,1,0,1|2,0,0]=4 3402 B12R1.2242 C=C(C)CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000730704 [0,0,0,1,0,1|2,0,0]=4 3403 B12R1.2242 C=C(C)CNC(=O)[C@H]1CC1(C)C 11a_100000765925_100000692687 [0,0,0,1,0,1|2,0,0]=4 3404 B12R1.2242 C=C(C)CNC(=O)[C@H]1CC1(C)C 1626a_100000765925_100000692687 [0,0,0,1,0,1|2,0,0]=4 3405 B12R1.2242 C=C(C)CNC(=O)[C@H]1CC1(C)C 240690a_100000765925_100000692687 [0,0,0,1,0,1|2,0,0]=4 3406 B12R1.2242 C=C(C)CNC(=O)[C@H]1CC1(C)C 527a_100000765925_100000692687 [0,0,0,1,0,1|2,0,0]=4 3407 B12R1.2242 CC(=CCC(=O)[C@H]1CC1(C)C)C 1458a_100000692687_100000761012 [0,0,0,1,0,1|2,0,0]=4 3408 B12R1.2242 CC(=O)NNC(=O)C1CC1(C)C 22a_100015187539_100000070787 [0,0,0,1,0,1|2,0,0]=4 3409 B12R1.2242 CC(=O)NNC(=O)[C@H]1CC1(C)C 22a_100000189765_100000692687 [0,0,0,1,0,1|2,0,0]=4 3410 B12R1.2242 CC1(C[C@@H]1C(=O)NCC(=O)N)C 11a_100000711301_100000692687 [0,0,0,1,0,1|2,0,0]=4 3411 B12R1.2242 CC1(C[C@@H]1C(=O)NCC(=O)N)C 240690a_100000711301_100000692687 [0,0,0,1,0,1|2,0,0]=4 3412 B12R1.2242 CC1(C[C@@H]1C(=O)NCC(=O)N)C 527a_100000711301_100000692687 [0,0,0,1,0,1|2,0,0]=4 3413 B12R1.3805 CC(C)O[C@H]1C(=O)OCC1(C)C 34a_100009815050_100000210206 [0,0,0,1,0,1|1,0,1]=4 3414 B12R1.3805 CC(C)O[C@H]1C(=O)OCC1(C)C 7a_100009815050_100000210206 [0,0,0,1,0,1|1,0,1]=4 3415 B12R1.1811 CC(NC(=O)CC(=O)N)C1CC1 240690a_100000700016_100134613110 [0,1,0,1,0,0|2,0,0]=4 3416 B12R1.1811 CC(NC(=O)CC(=O)N)C1CC1 527a_100000700016_100134613110 [0,1,0,1,0,0|2,0,0]=4 3417 B12R1.1049 CC1CN(C1)C(=O)CS(=O)(=O)C 11a_100000702820_100000744497 [0,1,0,1,0,0|2,0,0]=4 3418 B12R1.1049 CC1CN(C1)C(=O)CS(=O)(=O)C 240690a_100000702820_100000744497 [0,1,0,1,0,0|2,0,0]=4 3419 B12R1.1049 CC1CN(C1)C(=O)CS(=O)(=O)C 527a_100000702820_100000744497 [0,1,0,1,0,0|2,0,0]=4 3420 B12R1.1399 CS(=O)(=O)CC(=O)CCC1CC1 1458a_100000744497_100000694398 [0,1,0,1,0,0|2,0,0]=4 3421 B12R1.1399 CS(=O)(=O)CC(=O)NCC1CC1 11a_100000735609_100000744497 [0,1,0,1,0,0|2,0,0]=4 3422 B12R1.1399 CS(=O)(=O)CC(=O)NCC1CC1 240690a_100000735609_100000744497 [0,1,0,1,0,0|2,0,0]=4 3423 B12R1.1399 CS(=O)(=O)CC(=O)NCC1CC1 527a_100000735609_100000744497 [0,1,0,1,0,0|2,0,0]=4 3424 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [0,1,0,1,0,0|1,0,1]=4 3425 B12R1.226 CC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210624 [0,1,0,1,0,0|1,0,1]=4 3426 B12R1.230 CC(C)C=CC(=O)C1CCC1=O 1458a_100016268746_100009892977 [0,1,0,1,0,0|1,0,1]=4 3427 B12R1.230 CC(C)CCC(=O)C1CCC1=O 1458a_100000181311_100009892977 [0,1,0,1,0,0|1,0,0]=3 3428 B12R1.230 CC(C)OCC(=O)C1CCC1=O 1458a_100000745533_100009892977 [0,1,0,1,0,0|2,0,0]=4 3429 B12R1.230 CC(C)SCC(=O)C1CCC1=O 1458a_100000241585_100009892977 [0,1,0,1,0,0|2,0,0]=4 3430 B12R1.230 C[S+](C)CCC(=O)C1CCC1=O 1458a_100009452791_100009892977 [0,1,0,1,0,0|2,0,0]=4 3431 B12R1.303 COC(=O)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211351 [0,1,0,1,0,0|2,0,0]=4 3432 B12R1.303 COC(=O)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211351 [0,1,0,1,0,0|2,0,0]=4 3433 B12R1.305 CCC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000747405 [0,1,0,1,0,0|1,0,1]=4 3434 B12R1.305 CCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747405 [0,1,0,1,0,0|1,0,0]=3 3435 B12R1.305 CNC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000183359 [0,1,0,1,0,0|1,0,1]=4 3436 B12R1.305 CNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183359 [0,1,0,1,0,0|1,0,0]=3 3437 B12R1.305 COC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000747449 [0,1,0,1,0,0|1,0,1]=4 3438 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000211351_100000694398 [0,1,0,1,0,0|1,0,0]=3 3439 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747449 [0,1,0,1,0,0|1,0,0]=3 3440 B12R1.305 COC(=O)CC(=O)CCC1CO1 1458a_100000211351_100000732470 [0,1,0,1,0,0|2,0,0]=4 3441 B12R1.305 COC(=O)CC(=O)CSC1CC1 62a_100000210525_100000211595 [0,1,0,1,0,0|2,0,0]=4 3442 B12R1.305 COC(=O)CC(=O)NCC1CC1 240690a_100000735609_100000211351 [0,1,0,1,0,0|1,0,0]=3 3443 B12R1.305 COC(=O)CC(=O)NNC1CC1 22a_100000701032_100000211351 [0,1,0,1,0,0|2,0,0]=4 3444 B12R1.305 COC(=O)CC(C)OCC1CC1 34a_100000211283_100009817358 [0,1,0,1,0,0|1,0,1]=4 3445 B12R1.307 CCC(=O)CC(=O)C1CC(C1)C 1458a_100000686124_100000747405 [0,1,0,1,0,0|1,0,0]=3 3446 B12R1.307 CCC(=O)CC(=O)C1CC(C1)F 1458a_100000062598_100000747405 [0,1,0,1,0,0|2,0,0]=4 3447 B12R1.307 CCC(=O)CC(=O)C1CN(C1)C 1458a_100012002723_100000747405 [0,1,0,1,0,0|2,0,0]=4 3448 B12R1.307 CCC(=O)CC(=O)N1CC(C1)O 1458a_100000210414_100013143841 [0,1,0,1,0,0|2,0,0]=4 3449 B12R1.307 CCC(=O)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000747405 [0,1,0,1,0,0|2,0,0]=4 3450 B12R1.307 CNC(=O)CC(=O)C1CC(C1)C 1458a_100000686124_100000183359 [0,1,0,1,0,0|1,0,0]=3 3451 B12R1.307 CNC(=O)CC(=O)C1CC(C1)F 1458a_100000062598_100000183359 [0,1,0,1,0,0|2,0,0]=4 3452 B12R1.307 CNC(=O)CC(=O)C1CN(C1)C 1458a_100012002723_100000183359 [0,1,0,1,0,0|2,0,0]=4 3453 B12R1.307 CNC(=O)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000183359 [0,1,0,1,0,0|2,0,0]=4 3454 B12R1.307 COC(=O)CC(=O)C1CC(C1)C 1458a_100000686124_100000747449 [0,1,0,1,0,0|1,0,0]=3 3455 B12R1.307 COC(=O)CC(=O)C1CC(C1)F 1458a_100000062598_100000747449 [0,1,0,1,0,0|2,0,0]=4 3456 B12R1.307 COC(=O)CC(=O)C1CN(C1)C 1458a_100012002723_100000747449 [0,1,0,1,0,0|2,0,0]=4 3457 B12R1.307 COC(=O)CC(=O)N1CC(C1)C 240690a_100000702820_100000211351 [0,1,0,1,0,0|1,0,0]=3 3458 B12R1.307 COC(=O)CC(=O)N1CC(C1)F 240690a_100000690557_100000211351 [0,1,0,1,0,0|2,0,0]=4 3459 B12R1.307 COC(=O)CC(=O)N1CC(C1)O 240690a_100000749847_100000211351 [0,1,0,1,0,0|2,0,0]=4 3460 B12R1.307 COC(=O)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000747449 [0,1,0,1,0,0|2,0,0]=4 3461 B12R1.307 O=C(CO)CC(=O)N1CC(C1)O 1458a_100000210174_100013143841 [0,1,0,1,0,0|2,0,0]=4 3462 B12R1.1554 CCC(=O)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000747405 [0,1,0,1,0,0|1,0,0]=3 3463 B12R1.1554 CNC(=O)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000183359 [0,1,0,1,0,0|1,0,0]=3 3464 B12R1.1554 COC(=O)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000747449 [0,1,0,1,0,0|1,0,0]=3 3465 B12R1.26 CCC(C)COC1CCC(=O)C1 34a_100012614533_100000748023 [0,1,0,1,0,0|1,0,1]=4 3466 B12R1.26 CC[C@H](C)COC1CCC(=O)C1 34a_100012614533_100009816398 [0,1,0,1,0,0|1,0,1]=4 3467 B12R1.26 C[C@@H](CO)COC1CCC(=O)C1 34a_100012614533_100000059175 [0,1,0,1,0,0|1,0,1]=4 3468 B12R1.428 C=C(C)CC(=O)C1CC(C1)CO 1458a_206645079618_100000748629 [0,1,0,1,0,0|2,0,0]=4 3469 B12R1.428 C=C(C)CC(=O)C1CC(C1)OC 1458a_100011999411_100000748629 [0,1,0,1,0,0|2,0,0]=4 3470 B12R1.428 CCC1CN(C1)C(=O)CC(=O)N 240690a_100015205115_100134613110 [0,1,0,1,0,0|2,0,0]=4 3471 B12R1.428 CCC1CN(C1)C(=O)CC(=O)N 527a_100015205115_100134613110 [0,1,0,1,0,0|2,0,0]=4 3472 B12R1.428 COC1CC(C1)C(=O)CC(=O)N 1458a_100011999411_100000187820 [0,1,0,1,0,0|2,0,0]=4 3473 B12R1.428 COC1CC(C1)C(=O)CC(=O)[O-] 1458a_100011999411_100020667443 [0,1,0,1,0,0|2,0,0]=4 3474 B12R1.428 COC1CN(C1)C(=O)CC(=O)N 240690a_100000755009_100134613110 [0,1,0,1,0,0|2,0,0]=4 3475 B12R1.428 COC1CN(C1)C(=O)CC(=O)N 527a_100000755009_100134613110 [0,1,0,1,0,0|2,0,0]=4 3476 B12R1.428 CSC1CN(C1)C(=O)CC(=O)N 240690a_100016990038_100134613110 [0,1,0,1,0,0|2,0,0]=4 3477 B12R1.428 CSC1CN(C1)C(=O)CC(=O)N 527a_100016990038_100134613110 [0,1,0,1,0,0|2,0,0]=4 3478 B12R1.428 NC(=O)CC(=O)C1CC(C1)CO 1458a_206645079618_100000187820 [0,1,0,1,0,0|2,0,0]=4 3479 B12R1.428 NC(=O)CC(=O)N1CC(C1)CF 240690a_100010363649_100134613110 [0,1,0,1,0,0|2,0,0]=4 3480 B12R1.428 NC(=O)CC(=O)N1CC(C1)CF 527a_100010363649_100134613110 [0,1,0,1,0,0|2,0,0]=4 3481 B12R1.428 NC(=O)CC(=O)N1CC(C1)CO 240690a_100016987283_100134613110 [0,1,0,1,0,0|2,0,0]=4 3482 B12R1.428 NC(=O)CC(=O)N1CC(C1)CO 527a_100016987283_100134613110 [0,1,0,1,0,0|2,0,0]=4 3483 B12R1.428 O=C([O-])CC(=O)C1CC(C1)CO 1458a_206645079618_100020667443 [0,1,0,1,0,0|2,0,0]=4 3484 B12R1.1376 NC(=O)CC(=O)NCC1CCC1 240690a_100000738700_100134613110 [0,1,0,1,0,0|2,0,0]=4 3485 B12R1.1376 NC(=O)CC(=O)NCC1CCC1 527a_100000738700_100134613110 [0,1,0,1,0,0|2,0,0]=4 3486 B12R1.1376 NC(=O)CC(=O)NCC1COC1 240690a_100015281925_100134613110 [0,1,0,1,0,0|2,0,0]=4 3487 B12R1.1376 NC(=O)CC(=O)NCC1COC1 527a_100015281925_100134613110 [0,1,0,1,0,0|2,0,0]=4 3488 B12R1.1376 NC(=O)CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100134613110 [0,1,0,1,0,0|2,0,0]=4 3489 B12R1.1376 NC(=O)CC(=O)NC[C@@H]1CCO1 527a_100020831831_100134613110 [0,1,0,1,0,0|2,0,0]=4 3490 B12R1.1834 CC1(CC1)CNC(=O)CC(=O)N 240690a_100000766693_100134613110 [0,1,0,1,0,0|2,0,0]=4 3491 B12R1.1834 CC1(CC1)CNC(=O)CC(=O)N 527a_100000766693_100134613110 [0,1,0,1,0,0|2,0,0]=4 3492 B12R1.1834 NC(=O)CC(=O)NCC1(CC1)O 240690a_100011936951_100134613110 [0,1,0,1,0,0|2,0,0]=4 3493 B12R1.1834 NC(=O)CC(=O)NCC1(CC1)O 527a_100011936951_100134613110 [0,1,0,1,0,0|2,0,0]=4 3494 B12R1.1355 CN(CC1CC1)C(=O)CC(=O)N 240690a_100000741881_100134613110 [0,1,0,1,0,0|2,0,0]=4 3495 B12R1.1355 CN(CC1CC1)C(=O)CC(=O)N 527a_100000741881_100134613110 [0,1,0,1,0,0|2,0,0]=4 3496 B12R1.2680 C=C(C)CC(=O)C1CC(C1)(C)C 1458a_100000695498_100000748629 [0,1,0,1,0,0|2,0,0]=4 3497 B12R1.2680 C=C(C)CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_100000748629 [0,1,0,1,0,0|2,0,0]=4 3498 B12R1.2680 CC1(CC(C1)C(=O)CC(=O)N)C 1458a_100000695498_100000187820 [0,1,0,1,0,0|2,0,0]=4 3499 B12R1.2680 CC1(CC(C1)C(=O)CC(=O)[O-])C 1458a_100000695498_100020667443 [0,1,0,1,0,0|2,0,0]=4 3500 B12R1.2680 CC1(CN(C1)C(=O)CC(=O)N)C 240690a_100000753659_100134613110 [0,1,0,1,0,0|2,0,0]=4 3501 B12R1.2680 CC1(CN(C1)C(=O)CC(=O)N)C 527a_100000753659_100134613110 [0,1,0,1,0,0|2,0,0]=4 3502 B12R1.2680 CC1(CN(C1)C(=O)CC(=O)N)F 240690a_100000696199_100134613110 [0,1,0,1,0,0|2,0,0]=4 3503 B12R1.2680 CC1(CN(C1)C(=O)CC(=O)N)F 527a_100000696199_100134613110 [0,1,0,1,0,0|2,0,0]=4 3504 B12R1.2680 CC1(CN(C1)C(=O)CC(=O)N)O 240690a_100000718560_100134613110 [0,1,0,1,0,0|2,0,0]=4 3505 B12R1.2680 CC1(CN(C1)C(=O)CC(=O)N)O 527a_100000718560_100134613110 [0,1,0,1,0,0|2,0,0]=4 3506 B12R1.2680 C[C@@]1(C[C@H](C1)C(=O)CC(=O)N)O 1458a_100010742821_100000187820 [0,1,0,1,0,0|2,0,0]=4 3507 B12R1.2680 C[C@@]1(C[C@H](C1)C(=O)CC(=O)[O-])O 1458a_100010742821_100020667443 [0,1,0,1,0,0|2,0,0]=4 3508 B12R1.222 CC(=O)C(C)C(=O)C1CC(C1)C 1458a_100000686124_100000179758 [0,1,0,1,0,0|1,0,0]=3 3509 B12R1.222 CC(=O)C(C)C(=O)C1CC(C1)F 1458a_100000062598_100000179758 [0,1,0,1,0,0|2,0,0]=4 3510 B12R1.222 CC(=O)C(C)C(=O)C1CN(C1)C 1458a_100012002723_100000179758 [0,1,0,1,0,0|2,0,0]=4 3511 B12R1.222 CC(=O)C(C)C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000179758 [0,1,0,1,0,0|2,0,0]=4 3512 B12R1.222 CC1CC(C1)C(=O)C(C)C(=O)N 1458a_100000686124_100000702099 [0,1,0,1,0,0|2,0,0]=4 3513 B12R1.222 CC1CC(C1)C(=O)C(F)C(=O)N 1458a_100000686124_100009813875 [0,1,0,1,0,0|2,0,0]=4 3514 B12R1.222 CC1CC(C1)C(=O)C(F)C(=O)[O-] 1458a_100000686124_100020610796 [0,1,0,1,0,0|2,0,0]=4 3515 B12R1.881 CC(=O)C(C)C(=O)C=CC1CC1 1458a_100102529529_100000179758 [0,1,0,1,0,0|1,0,1]=4 3516 B12R1.881 CC(=O)C(C)C(=O)CCC1CC1 1458a_100000756386_100000179758 [0,1,0,1,0,0|1,0,0]=3 3517 B12R1.881 CC(C(=O)N)C(=O)CCC1CC1 1458a_100000756386_100000702099 [0,1,0,1,0,0|2,0,0]=4 3518 B12R1.881 NC(=O)C(F)C(=O)CCC1CC1 1458a_100000756386_100009813875 [0,1,0,1,0,0|2,0,0]=4 3519 B12R1.881 O=C([O-])C(F)C(=O)CCC1CC1 1458a_100000756386_100020610796 [0,1,0,1,0,0|2,0,0]=4 3520 B12R1.2714 CC(=O)C(C)C(=O)[C@H]1CC1(C)C 1458a_100000692687_100000179758 [0,1,0,1,0,0|1,0,0]=3 3521 B12R1.2714 CC(C(=O)N)C(=O)[C@H]1CC1(C)C 1458a_100000692687_100000702099 [0,1,0,1,0,0|2,0,0]=4 3522 B12R1.2714 CC1(C[C@@H]1C(=O)C(F)C(=O)N)C 1458a_100000692687_100009813875 [0,1,0,1,0,0|2,0,0]=4 3523 B12R1.2714 CC1(C[C@@H]1C(=O)C(F)C(=O)[O-])C 1458a_100000692687_100020610796 [0,1,0,1,0,0|2,0,0]=4 3524 B12R1.1375 CC(=O)CC(C)(C)OCC1CC1 7a_100000210262_100000742324 [0,1,0,1,0,0|1,0,1]=4 3525 B12R1.836 CC(C)(C)COC1CCC(=O)C1 34a_100012614533_100011219605 [0,1,0,1,0,0|1,0,1]=4 3526 B12R1.836 CC(C)(F)COC1CCC(=O)C1 34a_100012614533_100011997219 [0,1,0,1,0,0|1,0,1]=4 3527 B12R1.836 CC(C)(O)COC1CCC(=O)C1 34a_100012614533_100000764493 [0,1,0,1,0,0|1,0,1]=4 3528 B12R2.2298 O=C1CCC(C1)OCC2CC2 34a_100012614533_100000742324 [0,0,0,2,0,0|1,0,1]=4 3529 B12R2.5092 C=C(C)CC(=O)C12CC(C1)C2 1458a_100000137470_100000748629 [0,0,0,2,0,0|2,0,0]=4 3530 B12R2.5092 NC(=O)CC(=O)C12CC(C1)C2 1458a_100000137470_100000187820 [0,0,0,2,0,0|2,0,0]=4 3531 B12R2.5092 O=C([O-])CC(=O)C12CC(C1)C2 1458a_100000137470_100020667443 [0,0,0,2,0,0|2,0,0]=4 3532 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,0,0,0,1,0|2,0,0]=4 3533 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,0,0,0,1,0|2,0,0]=4 3534 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,0,0,0,1,0|2,0,0]=4 3535 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,0,0,0,1,0|2,0,0]=4 3536 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,0,0,0,1,0|2,0,0]=4 3537 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,0,0,0,1,0|1,0,0]=3 3538 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [1,0,0,0,1,0|2,0,0]=4 3539 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,0,0,0,1,0|1,0,0]=3 3540 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,0,0,0,1,0|1,0,1]=4 3541 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,0,0,0,1,0|2,0,0]=4 3542 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,0,0,0,1,0|2,0,0]=4 3543 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,0,0,0,1,0|2,0,0]=4 3544 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,0,0,0,1,0|1,0,1]=4 3545 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,0,0,0,1,0|1,0,1]=4 3546 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,0,0,0,1,0|2,0,0]=4 3547 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,0,0,0,1,0|2,0,0]=4 3548 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,0,0,0,1,0|0,0,2]=4 3549 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [1,0,0,0,1,0|2,0,0]=4 3550 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,0,0,0,1,0|1,0,0]=3 3551 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,0,0,0,1,0|1,0,0]=3 3552 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [1,0,0,0,1,0|2,0,0]=4 3553 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [1,0,0,0,1,0|2,0,0]=4 3554 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [1,0,0,0,1,0|2,0,0]=4 3555 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [1,0,0,0,1,0|2,0,0]=4 3556 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [1,0,0,0,1,0|2,0,0]=4 3557 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,0,0,0,1,0|1,1,0]=4 3558 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,0,0,0,1,0|1,1,0]=4 3559 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [1,0,0,0,1,0|1,0,1]=4 3560 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [1,0,0,0,1,0|1,0,1]=4 3561 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,0,0,0,1,0|0,0,1]=3 3562 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [1,0,0,0,1,0|1,0,1]=4 3563 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,1,0|0,0,1]=3 3564 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,1,0|0,0,1]=3 3565 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,1,0|1,0,1]=4 3566 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,0,0,1,0|1,0,1]=4 3567 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,0,0,1,0|1,0,1]=4 3568 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,0,0,1,0|0,0,1]=3 3569 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,0,0,1,0|0,0,1]=3 3570 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,0,0,1,0|0,0,1]=3 3571 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,0,0,0,1,0|0,1,1]=4 3572 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,0,0,0,1,0|0,1,1]=4 3573 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,0,0,0,1,0|0,1,1]=4 3574 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,0,0,0,1,0|0,0,0]=2 3575 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,0,0,0,1,0|0,0,0]=2 3576 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,0,0,0,1,0|1,0,0]=3 3577 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [1,0,0,0,1,0|2,0,0]=4 3578 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,0,0,0,1,0|1,0,0]=3 3579 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,0,0,0,1,0|1,0,1]=4 3580 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,0,0,0,1,0|1,0,1]=4 3581 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,0,0,0,1,0|1,0,1]=4 3582 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,0,0,0,1,0|1,0,1]=4 3583 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,0,0,0,1,0|2,0,0]=4 3584 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,0,0,0,1,0|1,0,1]=4 3585 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,0,0,0,1,0|2,0,0]=4 3586 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,0,0,0,1,0|2,0,0]=4 3587 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,0,0,0,1,0|0,0,1]=3 3588 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,1,0|0,0,1]=3 3589 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,0,0,0,1,0|2,0,0]=4 3590 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,0,0,0,1,0|2,0,0]=4 3591 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,0,0,0,1,0|2,0,0]=4 3592 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,1,0|2,0,0]=4 3593 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,0,0,0,1,0|2,0,0]=4 3594 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,0,0,0,1,0|1,0,0]=3 3595 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,0,0,0,1,0|0,0,0]=2 3596 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,0,0,0,1,0|1,0,0]=3 3597 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [1,0,0,0,1,0|1,0,1]=4 3598 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [1,0,0,0,1,0|1,0,1]=4 3599 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [1,0,0,0,1,0|1,0,1]=4 3600 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,0,0,0,1,0|0,0,2]=4 3601 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [1,0,0,0,1,0|1,0,1]=4 3602 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [1,0,0,0,1,0|1,0,1]=4 3603 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,0,0,0,1,0|0,0,2]=4 3604 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [1,0,0,0,1,0|2,0,0]=4 3605 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,0,0,0,1,0|1,1,0]=4 3606 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,0,0,0,1,0|1,1,0]=4 3607 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,0,0,0,1,0|1,1,0]=4 3608 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,0,0,0,1,0|1,1,0]=4 3609 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,0,0,0,1,0|2,0,0]=4 3610 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,0,0,0,1,0|1,0,1]=4 3611 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,0,0,0,1,0|1,0,1]=4 3612 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,0,0,0,1,0|1,0,1]=4 3613 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,0,0,0,1,0|2,0,0]=4 3614 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,0,0,0,1,0|2,0,0]=4 3615 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [1,0,0,0,1,0|1,0,1]=4 3616 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,0,0,0,1,0|2,0,0]=4 3617 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,0,0,0,1,0|2,0,0]=4 3618 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,0,0,0,1,0|2,0,0]=4 3619 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,0,0,0,1,0|2,0,0]=4 3620 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,0,0,0,2,0|1,0,0]=3 3621 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,0,0,0,2,0|2,0,0]=4 3622 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,0,0,0,2,0|2,0,0]=4 3623 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,0,0,0,2,0|2,0,0]=4 3624 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,0,0,0,2,0|1,0,0]=3 3625 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,0,0,0,2,0|1,0,0]=3 3626 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,2,0|1,0,1]=4 3627 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,2,0|1,0,1]=4 3628 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,0,0,2,0|1,0,1]=4 3629 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,0,0,0,2,0|2,0,0]=4 3630 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,0,0,0,2,0|2,0,0]=4 3631 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,0,0,0,2,0|2,0,0]=4 3632 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,0,0,0,2,0|2,0,0]=4 3633 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,0,0,2,0|0,0,2]=4 3634 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,0,0,0,2,0|1,0,1]=4 3635 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,0,0,0,2,0|1,0,1]=4 3636 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,0,0,0,2,0|1,0,1]=4 3637 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,0,0,0,2,0|2,0,0]=4 3638 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,0,0,0,2,0|2,0,0]=4 3639 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,0,0,0,2,0|2,0,0]=4 3640 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,0,0,0,2,0|2,0,0]=4 3641 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,0,0,0,2,0|0,0,2]=4 3642 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,0,0,0,2,0|0,0,2]=4 3643 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,0,0,2,0|0,0,2]=4 3644 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,0,0,0,2,0|2,0,0]=4 3645 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,0,0,0,2,0|1,0,0]=3 3646 B10R0.3 C#CCC(=O)COCC(C)C 1458a_100011223364_100000184674 [1,0,0,0,0,1|0,0,2]=4 3647 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [1,0,0,0,0,1|1,0,1]=4 3648 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [1,0,0,0,0,1|1,0,1]=4 3649 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [1,0,0,0,0,1|1,0,1]=4 3650 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [1,0,0,0,0,1|1,0,1]=4 3651 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [1,0,0,0,0,1|0,0,1]=3 3652 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [1,0,0,0,0,1|1,0,1]=4 3653 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [1,0,0,0,0,1|1,0,1]=4 3654 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [1,0,0,0,0,1|1,0,1]=4 3655 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [1,0,0,0,0,1|1,0,1]=4 3656 B10R0.3 C=CCC(=O)NNCC(C)C 22a_100000696102_100000210193 [1,0,0,0,0,1|1,0,1]=4 3657 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [1,0,0,0,0,1|1,0,1]=4 3658 B10R0.3 CC(C)COCC(=O)CC#N 1458a_100011223364_100011214920 [1,0,0,0,0,1|1,0,1]=4 3659 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [1,0,0,0,0,1|1,0,1]=4 3660 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [1,0,0,0,0,1|0,0,2]=4 3661 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [1,0,0,0,0,1|1,0,1]=4 3662 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [1,0,0,0,0,1|1,0,1]=4 3663 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [1,0,0,0,0,1|1,0,1]=4 3664 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [1,0,0,0,0,1|1,0,1]=4 3665 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [1,0,0,0,0,1|1,0,1]=4 3666 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [1,0,0,0,0,1|1,0,1]=4 3667 B10R0.3 CC=CC(=O)NNCC(C)C 22a_100000696102_100000210699 [1,0,0,0,0,1|1,0,1]=4 3668 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,0,0,0,0,1|1,0,1]=4 3669 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,0,0,0,0,1|1,0,1]=4 3670 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [1,0,0,0,0,1|1,0,1]=4 3671 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [1,0,0,0,0,1|1,0,1]=4 3672 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [1,0,0,0,0,1|1,0,1]=4 3673 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [1,0,0,0,0,1|0,0,1]=3 3674 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [1,0,0,0,0,1|0,1,1]=4 3675 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [1,0,0,0,0,1|0,1,1]=4 3676 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [1,0,0,0,0,1|1,0,1]=4 3677 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [1,0,0,0,0,1|1,0,1]=4 3678 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [1,0,0,0,0,1|1,0,1]=4 3679 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [1,0,0,0,0,1|1,0,1]=4 3680 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [1,0,0,0,0,1|1,0,1]=4 3681 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [1,0,0,0,0,1|0,0,1]=3 3682 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [1,0,0,0,0,1|0,0,1]=3 3683 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [1,0,0,0,0,1|0,0,1]=3 3684 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [1,0,0,0,0,1|0,0,1]=3 3685 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [1,0,0,0,0,1|1,0,1]=4 3686 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [1,0,0,0,0,1|1,0,1]=4 3687 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [1,0,0,0,0,1|1,0,1]=4 3688 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [1,0,0,0,0,1|1,0,1]=4 3689 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [1,0,0,0,0,1|1,0,1]=4 3690 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [1,0,0,0,0,1|1,0,1]=4 3691 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [1,0,0,0,0,1|2,0,0]=4 3692 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [1,0,0,0,0,1|2,0,0]=4 3693 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [1,0,0,0,0,1|2,0,0]=4 3694 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [1,0,0,0,0,1|2,0,0]=4 3695 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [1,0,0,0,0,1|2,0,0]=4 3696 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [1,0,0,0,0,1|2,0,0]=4 3697 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [1,0,0,0,0,1|2,0,0]=4 3698 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [1,0,0,0,0,1|2,0,0]=4 3699 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [1,0,0,0,0,1|2,0,0]=4 3700 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [1,0,0,0,0,1|2,0,0]=4 3701 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [1,0,0,0,0,1|2,0,0]=4 3702 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [1,0,0,0,0,1|2,0,0]=4 3703 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [1,0,0,0,0,1|2,0,0]=4 3704 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [1,0,0,0,0,1|2,0,0]=4 3705 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [1,0,0,0,0,1|2,0,0]=4 3706 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [1,0,0,0,0,1|2,0,0]=4 3707 B10R0.3 CSCC(=O)NNCC(C)C 22a_100000696102_100000184570 [1,0,0,0,0,1|2,0,0]=4 3708 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [1,0,0,0,0,1|1,0,1]=4 3709 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [1,0,0,0,0,1|1,0,1]=4 3710 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [1,0,0,0,0,1|1,0,1]=4 3711 B10R0.97 C=C(C)CCOCOC(C)C 34a_100000764851_100000709892 [1,0,0,0,0,1|1,0,1]=4 3712 B10R0.97 CC(=CCCOCC(C)C)C 34a_100000210257_100011217483 [1,0,0,0,0,1|1,0,1]=4 3713 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,0,0,0,0,1|1,0,1]=4 3714 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,0,0,0,0,1|1,0,1]=4 3715 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,0,0,0,0,1|1,0,1]=4 3716 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,0,0,0,0,1|1,0,1]=4 3717 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,0,0,0,0,1|1,0,1]=4 3718 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,0,0,0,0,1|1,0,1]=4 3719 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,0,0,0,0,1|1,0,1]=4 3720 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,0,0,0,0,1|1,0,1]=4 3721 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,0,0,0,0,1|0,0,1]=3 3722 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,0,0,0,0,1|0,0,1]=3 3723 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,0,0,0,0,1|0,0,1]=3 3724 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,0,0,0,0,1|1,0,1]=4 3725 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,0,0,0,0,1|1,0,1]=4 3726 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,0,0,0,0,1|1,0,1]=4 3727 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,0,0,0,0,1|1,0,1]=4 3728 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,0,0,0,0,1|1,0,1]=4 3729 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,0,0,0,0,1|1,0,1]=4 3730 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,0,0,0,0,1|1,0,1]=4 3731 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,0,0,0,0,1|0,1,1]=4 3732 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,0,0,0,0,1|0,1,1]=4 3733 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [1,0,0,0,0,1|0,0,2]=4 3734 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [1,0,0,0,0,1|0,0,2]=4 3735 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,0,0,0,0,1|0,0,1]=3 3736 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,0,0,0,0,1|0,0,1]=3 3737 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,0,0,0,0,1|0,0,1]=3 3738 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,0,0,0,0,1|1,0,1]=4 3739 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,0,0,0,0,1|1,0,1]=4 3740 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [1,0,0,0,0,1|1,0,1]=4 3741 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [1,0,0,0,0,1|0,0,1]=3 3742 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,0,0,0,0,1|0,1,1]=4 3743 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,0,0,0,0,1|0,1,1]=4 3744 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [1,0,0,0,0,1|0,1,1]=4 3745 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [1,0,0,0,0,1|0,1,1]=4 3746 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,0,0,0,0,1|1,0,1]=4 3747 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [1,0,0,0,0,1|2,0,0]=4 3748 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [1,0,0,0,0,1|2,0,0]=4 3749 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [1,0,0,0,0,1|1,0,1]=4 3750 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [1,0,0,0,0,1|1,0,1]=4 3751 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [1,0,0,0,0,1|0,0,1]=3 3752 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [1,0,0,0,0,1|1,0,1]=4 3753 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [1,0,0,0,0,1|1,0,1]=4 3754 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [1,0,0,0,0,1|0,1,1]=4 3755 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [1,0,0,0,0,1|0,1,1]=4 3756 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [1,0,0,0,0,1|1,0,1]=4 3757 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [1,0,0,0,0,1|1,0,1]=4 3758 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [1,0,0,0,0,1|0,0,1]=3 3759 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [1,0,0,0,0,1|1,0,1]=4 3760 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [1,0,0,0,0,1|1,0,1]=4 3761 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [1,0,0,0,0,1|1,0,1]=4 3762 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [1,0,0,0,0,1|1,0,1]=4 3763 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [1,0,0,0,0,1|0,1,1]=4 3764 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [1,0,0,0,0,1|0,1,1]=4 3765 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [1,0,0,0,0,1|1,0,1]=4 3766 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [1,0,0,0,0,1|2,0,0]=4 3767 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [1,0,0,0,0,1|2,0,0]=4 3768 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,0,0,0,0,1|1,0,1]=4 3769 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [1,0,0,0,0,1|1,0,1]=4 3770 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [1,0,0,0,0,1|1,0,1]=4 3771 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [1,0,0,0,0,1|1,0,1]=4 3772 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [1,0,0,0,0,1|1,0,1]=4 3773 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [1,0,0,0,0,1|1,0,1]=4 3774 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [1,0,0,0,0,1|1,0,1]=4 3775 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [1,0,0,0,0,1|1,0,1]=4 3776 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [1,0,0,0,0,1|1,0,1]=4 3777 B10R0.97 CC(C)OCOCCC(=O)N 34a_100000757172_100000709892 [1,0,0,0,0,1|1,0,1]=4 3778 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_100011216857_100000730704 [0,0,0,0,0,2|2,0,0]=4 3779 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_200000688413_100011214892 [0,0,0,0,0,2|2,0,0]=4 3780 B12R0.44 C=C(C)CCC(=O)CCOC(C)C 1458a_200000688413_100000211751 [0,0,0,0,0,2|2,0,0]=4 3781 B12R0.44 C=C(C)CCC(=O)CCSC(C)C 1458a_200000688413_100000730970 [0,0,0,0,0,2|2,0,0]=4 3782 B12R0.44 C=C(C)CCC(=O)COCC(C)C 1458a_100011223364_100000730704 [0,0,0,0,0,2|1,0,0]=3 3783 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 11a_100000210545_200000688413 [0,0,0,0,0,2|2,0,0]=4 3784 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 1626a_100000210545_200000688413 [0,0,0,0,0,2|2,0,0]=4 3785 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 240690a_100000210545_200000688413 [0,0,0,0,0,2|2,0,0]=4 3786 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 527a_100000210545_200000688413 [0,0,0,0,0,2|2,0,0]=4 3787 B12R0.44 C=C(C)CCC(=O)NNCC(C)C 22a_100000696102_200000688413 [0,0,0,0,0,2|2,0,0]=4 3788 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 11a_100000765925_100011216857 [0,0,0,0,0,2|2,0,0]=4 3789 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 1626a_100000765925_100011216857 [0,0,0,0,0,2|2,0,0]=4 3790 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 240690a_100000765925_100011216857 [0,0,0,0,0,2|2,0,0]=4 3791 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 527a_100000765925_100011216857 [0,0,0,0,0,2|2,0,0]=4 3792 B12R0.44 C=C(C)CNC(=O)COCC(C)C 11a_100000765925_100011223364 [0,0,0,0,0,2|1,0,0]=3 3793 B12R0.44 C=C(C)CNC(=O)COCC(C)C 1626a_100000765925_100011223364 [0,0,0,0,0,2|1,0,0]=3 3794 B12R0.44 C=C(C)CNC(=O)COCC(C)C 240690a_100000765925_100011223364 [0,0,0,0,0,2|1,0,0]=3 3795 B12R0.44 C=C(C)CNC(=O)COCC(C)C 527a_100000765925_100011223364 [0,0,0,0,0,2|1,0,0]=3 3796 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000210545_100000765925 [0,0,0,0,0,2|2,0,0]=4 3797 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000765925_100000210545 [0,0,0,0,0,2|2,0,0]=4 3798 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000210545_100000765925 [0,0,0,0,0,2|2,0,0]=4 3799 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000765925_100000210545 [0,0,0,0,0,2|2,0,0]=4 3800 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000210545_100000765925 [0,0,0,0,0,2|2,0,0]=4 3801 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000765925_100000210545 [0,0,0,0,0,2|2,0,0]=4 3802 B12R0.44 C=C(C)CNC(=O)NNCC(C)C 273464a_100000765925_100000696102 [0,0,0,0,0,2|2,0,0]=4 3803 B12R0.44 C=C(C)CNC(=O)NNCC(C)C 512a_100000696102_100000765925 [0,0,0,0,0,2|2,0,0]=4 3804 B12R0.44 C=C(C)CNC(=O)NNCC(C)C 512a_100000765925_100000696102 [0,0,0,0,0,2|2,0,0]=4 3805 B12R0.44 C=C(C)COCC(=O)COC(=O)C 34a_100000210245_100000036994 [0,0,0,0,0,2|0,0,2]=4 3806 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011216857_100000761012 [0,0,0,0,0,2|2,0,0]=4 3807 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011220947_100011214892 [0,0,0,0,0,2|2,0,0]=4 3808 B12R0.44 CC(=CCC(=O)CCOC(C)C)C 1458a_100011220947_100000211751 [0,0,0,0,0,2|2,0,0]=4 3809 B12R0.44 CC(=CCC(=O)CCSC(C)C)C 1458a_100011220947_100000730970 [0,0,0,0,0,2|2,0,0]=4 3810 B12R0.44 CC(=CCC(=O)COCC(C)C)C 1458a_100011223364_100000761012 [0,0,0,0,0,2|1,0,0]=3 3811 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 11a_100000210545_100011220947 [0,0,0,0,0,2|2,0,0]=4 3812 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 1626a_100000210545_100011220947 [0,0,0,0,0,2|2,0,0]=4 3813 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 240690a_100000210545_100011220947 [0,0,0,0,0,2|2,0,0]=4 3814 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 527a_100000210545_100011220947 [0,0,0,0,0,2|2,0,0]=4 3815 B12R0.44 CC(=CCC(=O)NNCC(C)C)C 22a_100000696102_100011220947 [0,0,0,0,0,2|2,0,0]=4 3816 B12R0.44 CC(=O)COCC(=O)COC(=O)C 34a_100000211253_100000036994 [0,0,0,0,0,2|1,0,1]=4 3817 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,0,0,0,0,2|1,0,1]=4 3818 B12R0.44 CC(=O)NCC(=O)CCCC(C)C 1458a_100000194580_100011214892 [0,0,0,0,0,2|1,0,0]=3 3819 B12R0.44 CC(=O)NCC(=O)CCCC(C)O 1458a_100000194580_200000718107 [0,0,0,0,0,2|2,0,0]=4 3820 B12R0.44 CC(=O)NCC(=O)CCCN(C)C 1458a_100000194580_100000695564 [0,0,0,0,0,2|2,0,0]=4 3821 B12R0.44 CC(=O)NCC(=O)CCOC(C)C 1458a_100000194580_100000211751 [0,0,0,0,0,2|1,0,0]=3 3822 B12R0.44 CC(=O)NCC(=O)CCSC(C)C 1458a_100000194580_100000730970 [0,0,0,0,0,2|1,0,0]=3 3823 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 11a_100000718196_100000194580 [0,0,0,0,0,2|1,0,1]=4 3824 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 1626a_100000718196_100000194580 [0,0,0,0,0,2|1,0,1]=4 3825 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 527a_100000718196_100000194580 [0,0,0,0,0,2|1,0,1]=4 3826 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 11a_100000210545_100000194580 [0,0,0,0,0,2|1,0,0]=3 3827 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 1626a_100000210545_100000194580 [0,0,0,0,0,2|1,0,0]=3 3828 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 240690a_100000210545_100000194580 [0,0,0,0,0,2|1,0,0]=3 3829 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 527a_100000210545_100000194580 [0,0,0,0,0,2|1,0,0]=3 3830 B12R0.44 CC(=O)NCC(=O)NCCC(C)O 240690a_200000755665_100000194580 [0,0,0,0,0,2|2,0,0]=4 3831 B12R0.44 CC(=O)NCC(=O)NCCC(C)O 527a_200000755665_100000194580 [0,0,0,0,0,2|2,0,0]=4 3832 B12R0.44 CC(=O)NCC(=O)NCCN(C)C 240690a_100000210585_100000194580 [0,0,0,0,0,2|2,0,0]=4 3833 B12R0.44 CC(=O)NCC(=O)NCCN(C)C 527a_100000210585_100000194580 [0,0,0,0,0,2|2,0,0]=4 3834 B12R0.44 CC(=O)NCC(=O)NNCC(C)C 22a_100000696102_100000194580 [0,0,0,0,0,2|1,0,0]=3 3835 B12R0.44 CC(=O)NCC(=O)NNCC(C)O 22a_200000730056_100000194580 [0,0,0,0,0,2|2,0,0]=4 3836 B12R0.44 CC(=O)NNC(=O)CCCC(C)C 22a_100000189765_100011216857 [0,0,0,0,0,2|2,0,0]=4 3837 B12R0.44 CC(=O)NNC(=O)CNCC(C)C 2230a_100000210953_100000181415 [0,0,0,0,0,2|2,0,0]=4 3838 B12R0.44 CC(=O)NNC(=O)COCC(C)C 22a_100000189765_100011223364 [0,0,0,0,0,2|1,0,0]=3 3839 B12R0.44 CC(=O)NNC(=O)CSCC(C)C 62a_100000181415_100000210760 [0,0,0,0,0,2|1,1,0]=4 3840 B12R0.44 CC(=O)NNC(=O)CSCC(C)C 62a_100000210624_100000181415 [0,0,0,0,0,2|1,1,0]=4 3841 B12R0.44 CC(=O)NNC(=O)NCCC(C)C 273464a_100000210545_100000189765 [0,0,0,0,0,2|2,0,0]=4 3842 B12R0.44 CC(=O)NNC(=O)NCCC(C)C 512a_100000189765_100000210545 [0,0,0,0,0,2|2,0,0]=4 3843 B12R0.44 CC(=O)NNC(=O)NNCC(C)C 512a_100000189765_100000696102 [0,0,0,0,0,2|2,0,0]=4 3844 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,0,0,0,0,2|1,0,1]=4 3845 B12R0.44 CC(=O)OCC(=O)CCCC(C)C 1458a_100000183556_100011214892 [0,0,0,0,0,2|1,0,0]=3 3846 B12R0.44 CC(=O)OCC(=O)CCCC(C)O 1458a_100000183556_200000718107 [0,0,0,0,0,2|2,0,0]=4 3847 B12R0.44 CC(=O)OCC(=O)CCCN(C)C 1458a_100000183556_100000695564 [0,0,0,0,0,2|2,0,0]=4 3848 B12R0.44 CC(=O)OCC(=O)CCOC(C)C 1458a_100000183556_100000211751 [0,0,0,0,0,2|1,0,0]=3 3849 B12R0.44 CC(=O)OCC(=O)CCSC(C)C 1458a_100000183556_100000730970 [0,0,0,0,0,2|1,0,0]=3 3850 B12R0.44 CC(=O)OCC(=O)CNCC(C)C 34a_100000210953_100000036994 [0,0,0,0,0,2|1,0,0]=3 3851 B12R0.44 CC(=O)OCC(=O)CNCC(C)O 34a_100000210904_100000036994 [0,0,0,0,0,2|2,0,0]=4 3852 B12R0.44 CC(=O)OCC(=O)COCC(C)Br 34a_100012180447_100000036994 [0,0,0,0,0,2|1,0,0]=3 3853 B12R0.44 CC(=O)OCC(=O)COCC(C)C 34a_100000210257_100000036994 [0,0,0,0,0,2|0,0,0]=2 3854 B12R0.44 CC(=O)OCC(=O)COCC(C)F 34a_100015925927_100000036994 [0,0,0,0,0,2|1,0,0]=3 3855 B12R0.44 CC(=O)OCC(=O)COCC(F)F 34a_100000743014_100000036994 [0,0,0,0,0,2|2,0,0]=4 3856 B12R0.44 CC(=O)OCC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036994 [0,0,0,0,0,2|1,0,0]=3 3857 B12R0.44 CC(=O)OCC(=O)COC[C@@H](C)N 34a_100000737577_100000036994 [0,0,0,0,0,2|1,0,0]=3 3858 B12R0.44 CC(=O)OCC(=O)CSCC(C)C 62a_100000036994_100000210760 [0,0,0,0,0,2|0,1,0]=3 3859 B12R0.44 CC(=O)OCC(=O)CSCC(C)C 62a_100000210624_100000036994 [0,0,0,0,0,2|0,1,0]=3 3860 B12R0.44 CC(=O)OCC(=O)CSCC(C)O 62a_100000036994_100011218427 [0,0,0,0,0,2|1,1,0]=4 3861 B12R0.44 CC(=O)OCC(=O)CSCC(C)O 62a_100011218427_100000036994 [0,0,0,0,0,2|1,1,0]=4 3862 B12R0.44 CC(=O)OCC(=O)CSC[C@@H](C)O 62a_100000036994_100009817552 [0,0,0,0,0,2|1,1,0]=4 3863 B12R0.44 CC(=O)OCC(=O)CSC[C@@H](C)O 62a_100009817552_100000036994 [0,0,0,0,0,2|1,1,0]=4 3864 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 1626a_100000718196_100000183556 [0,0,0,0,0,2|1,0,1]=4 3865 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 527a_100000718196_100000183556 [0,0,0,0,0,2|1,0,1]=4 3866 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 1626a_100000210545_100000183556 [0,0,0,0,0,2|1,0,0]=3 3867 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 240690a_100000210545_100000183556 [0,0,0,0,0,2|1,0,0]=3 3868 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 527a_100000210545_100000183556 [0,0,0,0,0,2|1,0,0]=3 3869 B12R0.44 CC(=O)OCC(=O)NCCC(C)O 240690a_200000755665_100000183556 [0,0,0,0,0,2|2,0,0]=4 3870 B12R0.44 CC(=O)OCC(=O)NCCC(C)O 527a_200000755665_100000183556 [0,0,0,0,0,2|2,0,0]=4 3871 B12R0.44 CC(=O)OCC(=O)NCCN(C)C 240690a_100000210585_100000183556 [0,0,0,0,0,2|2,0,0]=4 3872 B12R0.44 CC(=O)OCC(=O)NCCN(C)C 527a_100000210585_100000183556 [0,0,0,0,0,2|2,0,0]=4 3873 B12R0.44 CC(=O)OCC(=O)NNCC(C)C 22a_100000696102_100000183556 [0,0,0,0,0,2|1,0,0]=3 3874 B12R0.44 CC(=O)OCC(=O)NNCC(C)O 22a_200000730056_100000183556 [0,0,0,0,0,2|2,0,0]=4 3875 B12R0.44 CC(=O)OCC(O)COCC(C)C 34a_100000210257_200000139349 [0,0,0,0,0,2|0,0,2]=4 3876 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,0,0,0,0,2|1,0,1]=4 3877 B12R0.44 CC(=O)SCC(=O)CCCC(C)C 1458a_100000049016_100011214892 [0,0,0,0,0,2|1,0,0]=3 3878 B12R0.44 CC(=O)SCC(=O)CCCC(C)O 1458a_100000049016_200000718107 [0,0,0,0,0,2|2,0,0]=4 3879 B12R0.44 CC(=O)SCC(=O)CCCN(C)C 1458a_100000049016_100000695564 [0,0,0,0,0,2|2,0,0]=4 3880 B12R0.44 CC(=O)SCC(=O)CCOC(C)C 1458a_100000049016_100000211751 [0,0,0,0,0,2|1,0,0]=3 3881 B12R0.44 CC(=O)SCC(=O)CCSC(C)C 1458a_100000049016_100000730970 [0,0,0,0,0,2|1,0,0]=3 3882 B12R0.44 CC(=O)SCC(=O)NCC=C(C)C 11a_100000718196_100000049016 [0,0,0,0,0,2|1,0,1]=4 3883 B12R0.44 CC(=O)SCC(=O)NCC=C(C)C 1626a_100000718196_100000049016 [0,0,0,0,0,2|1,0,1]=4 3884 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 11a_100000210545_100000049016 [0,0,0,0,0,2|1,0,0]=3 3885 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 1626a_100000210545_100000049016 [0,0,0,0,0,2|1,0,0]=3 3886 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 240690a_100000210545_100000049016 [0,0,0,0,0,2|1,0,0]=3 3887 B12R0.44 CC(=O)SCC(=O)NCCC(C)O 240690a_200000755665_100000049016 [0,0,0,0,0,2|2,0,0]=4 3888 B12R0.44 CC(=O)SCC(=O)NCCN(C)C 240690a_100000210585_100000049016 [0,0,0,0,0,2|2,0,0]=4 3889 B12R0.44 CC(=O)SCC(C)COCC(C)C 34a_100000210257_200000116872 [0,0,0,0,0,2|1,0,1]=4 3890 B12R0.44 CC(C)CCC(=O)COCC(C)C 1458a_100011223364_100000210312 [0,0,0,0,0,2|1,0,1]=4 3891 B12R0.44 CC(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100011214892 [0,0,0,0,0,2|2,0,0]=4 3892 B12R0.44 CC(C)CCCC(=O)CNC(=O)N 1458a_100000184981_100011214892 [0,0,0,0,0,2|2,0,0]=4 3893 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 11a_100000711301_100011216857 [0,0,0,0,0,2|2,0,0]=4 3894 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 240690a_100000711301_100011216857 [0,0,0,0,0,2|2,0,0]=4 3895 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 527a_100000711301_100011216857 [0,0,0,0,0,2|2,0,0]=4 3896 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 240690a_100000210545_100011215257 [0,0,0,0,0,2|2,0,0]=4 3897 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 527a_100000210545_100011215257 [0,0,0,0,0,2|2,0,0]=4 3898 B12R0.44 CC(C)CCNC(=O)CNC(=O)N 240690a_100000210545_100000184981 [0,0,0,0,0,2|2,0,0]=4 3899 B12R0.44 CC(C)CCNC(=O)CNC(=O)N 527a_100000210545_100000184981 [0,0,0,0,0,2|2,0,0]=4 3900 B12R0.44 CC(C)CCNC(=O)CSC(=O)N 240690a_100000210545_200015941356 [0,0,0,0,0,2|2,0,0]=4 3901 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 2708a_100000210545_100000711301 [0,0,0,0,0,2|2,0,0]=4 3902 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 273464a_100000210545_100000711301 [0,0,0,0,0,2|2,0,0]=4 3903 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 273464a_100000711301_100000210545 [0,0,0,0,0,2|2,0,0]=4 3904 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 512a_100000210545_100000711301 [0,0,0,0,0,2|2,0,0]=4 3905 B12R0.44 CC(C)CNC(=O)COCC(C)C 11a_100000210953_100011223364 [0,0,0,0,0,2|1,0,1]=4 3906 B12R0.44 CC(C)CNC(=O)COCC(C)C 1626a_100000210953_100011223364 [0,0,0,0,0,2|1,0,1]=4 3907 B12R0.44 CC(C)CNC(=O)COCC(C)C 240690a_100000210953_100011223364 [0,0,0,0,0,2|1,0,1]=4 3908 B12R0.44 CC(C)CNC(=O)COCC(C)C 34a_100000210257_100000183291 [0,0,0,0,0,2|1,0,1]=4 3909 B12R0.44 CC(C)CNC(=O)COCC(C)C 527a_100000210953_100011223364 [0,0,0,0,0,2|1,0,1]=4 3910 B12R0.44 CC(C)CNCC(=O)NCC(=O)O 269956a_100000183575_100000210760 [0,0,0,0,0,2|2,0,0]=4 3911 B12R0.44 CC(C)CNNC(=O)CCC(=O)N 22a_100000696102_100011215257 [0,0,0,0,0,2|2,0,0]=4 3912 B12R0.44 CC(C)CNNC(=O)CNC(=O)N 22a_100000696102_100000184981 [0,0,0,0,0,2|2,0,0]=4 3913 B12R0.44 CC(C)CNNC(=O)NCC(=O)N 273464a_100000711301_100000696102 [0,0,0,0,0,2|2,0,0]=4 3914 B12R0.44 CC(C)CNNC(=O)NCC(=O)N 512a_100000696102_100000711301 [0,0,0,0,0,2|2,0,0]=4 3915 B12R0.44 CC(C)COCC(=O)CCC(C)O 1458a_100011223364_100012276601 [0,0,0,0,0,2|0,0,2]=4 3916 B12R0.44 CC(C)COCC(=O)NCC(=O)N 11a_100000711301_100011223364 [0,0,0,0,0,2|1,0,0]=3 3917 B12R0.44 CC(C)COCC(=O)NCC(=O)N 240690a_100000711301_100011223364 [0,0,0,0,0,2|1,0,0]=3 3918 B12R0.44 CC(C)COCC(=O)NCC(=O)N 527a_100000711301_100011223364 [0,0,0,0,0,2|1,0,0]=3 3919 B12R0.44 CC(C)COCC(=O)NCC(C)O 11a_100000210904_100011223364 [0,0,0,0,0,2|0,0,2]=4 3920 B12R0.44 CC(C)COCC(=O)NCC(C)O 240690a_100000210904_100011223364 [0,0,0,0,0,2|0,0,2]=4 3921 B12R0.44 CC(C)COCC(=O)NCC(C)O 527a_100000210904_100011223364 [0,0,0,0,0,2|0,0,2]=4 3922 B12R0.44 CC(C)NCCC(=O)NCC(=O)O 269956a_100000722369_100000210206 [0,0,0,0,0,2|2,0,0]=4 3923 B12R0.44 CC(C)OCCC(=O)CCC(=O)N 1458a_100011215257_100000211751 [0,0,0,0,0,2|2,0,0]=4 3924 B12R0.44 CC(C)OCCC(=O)CNC(=O)N 1458a_100000184981_100000211751 [0,0,0,0,0,2|2,0,0]=4 3925 B12R0.44 CC(C)SCCC(=O)CCC(=O)N 1458a_100011215257_100000730970 [0,0,0,0,0,2|2,0,0]=4 3926 B12R0.44 CC(C)SCCC(=O)CNC(=O)N 1458a_100000184981_100000730970 [0,0,0,0,0,2|2,0,0]=4 3927 B12R0.270 C=C(C)CC(=O)CCCCC(C)C 1458a_100011933920_100000748629 [0,0,0,0,0,2|2,0,0]=4 3928 B12R0.270 CC(=O)CC(=O)OCCNC(C)C 34a_100138425928_100000102702 [0,0,0,0,0,2|0,0,0]=2 3929 B12R0.270 CC(=O)CC(=O)OCCOC(C)C 34a_100000212225_100000102702 [0,0,0,0,0,2|0,0,0]=2 3930 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000102702_100000210206 [0,0,0,0,0,2|0,0,0]=2 3931 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000210206_100000102702 [0,0,0,0,0,2|0,0,0]=2 3932 B12R0.270 CC(=O)NC(=O)COCCC(C)C 7a_100000210254_100000183797 [0,0,0,0,0,2|1,0,0]=3 3933 B12R0.270 CC(=O)NC(=O)CSCCC(C)C 62a_100000210312_100000183797 [0,0,0,0,0,2|1,1,0]=4 3934 B12R0.270 CC(=O)NC(=O)CSCOC(C)C 62a_100000709892_100000183797 [0,0,0,0,0,2|1,1,0]=4 3935 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100011933920_100000187820 [0,0,0,0,0,2|2,0,0]=4 3936 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100134613110_100011216152 [0,0,0,0,0,2|2,0,0]=4 3937 B12R0.270 CC(C)CCCCC(=O)CC(=O)[O-] 1458a_100011933920_100020667443 [0,0,0,0,0,2|2,0,0]=4 3938 B12R0.270 CC(C)CCCNC(=O)CC(=O)N 240690a_200000737386_100134613110 [0,0,0,0,0,2|2,0,0]=4 3939 B12R0.270 CC(C)CCCNC(=O)CC(=O)N 527a_200000737386_100134613110 [0,0,0,0,0,2|2,0,0]=4 3940 B12R0.270 CC(C)CCOCC(=O)NC(=O)N 7a_100000210254_100000182717 [0,0,0,0,0,2|2,0,0]=4 3941 B12R0.270 CC(C)OCCNC(=O)CC(=O)N 240690a_100000701111_100134613110 [0,0,0,0,0,2|2,0,0]=4 3942 B12R0.270 CC(C)OCCNC(=O)CC(=O)N 527a_100000701111_100134613110 [0,0,0,0,0,2|2,0,0]=4 3943 B12R0.270 CC(C)SCCNC(=O)CC(=O)N 240690a_100000731138_100134613110 [0,0,0,0,0,2|2,0,0]=4 3944 B12R0.270 CC(C)SCCNC(=O)CC(=O)N 527a_100000731138_100134613110 [0,0,0,0,0,2|2,0,0]=4 3945 B12R0.270 CC(C)SCCOC(=O)NC(=O)N 62a_100000210206_100000054987 [0,0,0,0,0,2|2,0,0]=4