0 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.53 C=C(C)CC(=O)CN(C)C 1458a_100000750896_100000748629 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.53 C=C(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748629 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000225649_100000210760 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000747067_100000748629 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000225649_100000210624 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000747067_100000748629 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.53 C=C(C)CN(C)CC(C)C 270004a_100000225649_100000210432 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.53 C=C(F)CC(=O)CN(C)C 1458a_100000750896_100009893438 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.53 C=C(F)CC(=O)C[C@@H](C)O 1458a_100011933948_100009893438 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.53 C=C(F)CC(=O)C[S+](C)C 1458a_200159257847_100009893438 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.53 CC(=CC(=O)CC(F)F)C 1458a_100000211388_100011934356 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,0,0,0,0,0|1,0,2]=3 23 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,0,0,0,0,0|1,0,2]=3 24 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,0,0,0,0,0|2,0,1]=3 30 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.53 CC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210624 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,0,0,0,0,0|2,0,1]=3 36 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,0,0,0,0,0|0,0,0]=0 37 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,0,0,0,0,0|1,0,0]=1 38 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,0,0,0,0,0|1,0,0]=1 40 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,0,0,0,0,0|1,0,0]=1 41 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,0,0,0,0,0|1,0,0]=1 43 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,0,0,0,0,0|1,0,0]=1 44 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,0,0,0,0,0|1,0,0]=1 45 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,0,0,0,0,0|1,0,0]=1 46 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,0,0,0,0,0|1,0,0]=1 47 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [0,0,0,0,0,0|2,0,1]=3 48 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [0,0,0,0,0,0|2,0,1]=3 50 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,0,0,0,0,0|2,0,1]=3 51 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,0,0,0,0,0|2,0,1]=3 52 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,0,0,0,0,0|2,0,1]=3 53 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [0,0,0,0,0,0|2,0,1]=3 54 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [0,0,0,0,0,0|2,0,1]=3 55 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000201412_200000210301 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000747067_100000210760 [0,0,0,0,0,0|2,0,0]=2 57 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000201412_200000210301 [0,0,0,0,0,0|2,0,0]=2 58 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000747067_100000210624 [0,0,0,0,0,0|2,0,0]=2 59 B9R0.53 CC(C)CN(C)CC(C)C 270004a_100000747067_100000210432 [0,0,0,0,0,0|2,0,0]=2 60 B9R0.53 CC(C)CN(C)CC(C)C 34a_100000201412_200000210301 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000227577_100000210760 [0,0,0,0,0,0|3,0,0]=3 62 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000747067_100011218427 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000227577_100000210624 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000747067_100011218427 [0,0,0,0,0,0|3,0,0]=3 65 B9R0.53 CC(C)CN(C)CC(C)O 270004a_100000227577_100000210432 [0,0,0,0,0,0|3,0,0]=3 66 B9R0.53 CC(C)CN(C)CC(F)F 2230a_100000747067_100011934356 [0,0,0,0,0,0|4,0,0]=4 67 B9R0.53 CC(C)CN(C)CC(F)F 269982a_100000747067_100011934356 [0,0,0,0,0,0|4,0,0]=4 68 B9R0.53 CC(C)CN(C)C[C@@H](C)O 2230a_100000747067_100009817552 [0,0,0,0,0,0|3,0,0]=3 69 B9R0.53 CC(C)CN(C)C[C@@H](C)O 269982a_100000747067_100009817552 [0,0,0,0,0,0|3,0,0]=3 70 B9R0.53 CC(C)CN([13CH3])CC(C)C 2230a_100000201412_200025704644 [0,0,0,0,0,0|2,0,0]=2 71 B9R0.53 CC(C)CN([13CH3])CC(C)C 269982a_100000201412_200025704644 [0,0,0,0,0,0|2,0,0]=2 72 B9R0.53 CC(C)CN([13CH3])CC(C)C 34a_100000201412_200025704644 [0,0,0,0,0,0|2,0,0]=2 73 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [0,0,0,0,0,0|2,0,0]=2 76 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [0,0,0,0,0,0|2,0,0]=2 77 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [0,0,0,0,0,0|2,0,0]=2 78 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [0,0,0,0,0,0|2,0,0]=2 79 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [0,0,0,0,0,0|2,0,0]=2 80 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [0,0,0,0,0,0|2,0,0]=2 81 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [0,0,0,0,0,0|2,0,0]=2 82 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [0,0,0,0,0,0|2,0,0]=2 83 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,0,0,0,0,0|2,0,0]=2 85 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [0,0,0,0,0,0|2,0,0]=2 86 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [0,0,0,0,0,0|2,0,0]=2 87 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [0,0,0,0,0,0|2,0,0]=2 88 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [0,0,0,0,0,0|2,0,0]=2 89 B9R0.53 CC(C)NC(=O)NC(C)C 2708a_100138425928_100138425928 [0,0,0,0,0,0|2,0,0]=2 90 B9R0.53 CC(C)NC(=O)NC(C)C 512a_100138425928_100138425928 [0,0,0,0,0,0|2,0,0]=2 91 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,0,0,0,0,0|2,0,0]=2 92 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,0,0,0,0,0|2,0,0]=2 93 B9R0.53 CC(C)SC(C)CN(C)C 62a_100000210206_100020606517 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.53 CC(C)SC(C)CN(C)C 62a_100020606517_100000210206 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.53 CC(CN(C)C)CN(C)C 2230a_100102631434_100015348159 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.53 CC(CN(C)C)CN(C)C 269982a_100102631434_100015348159 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,0,0,0,0,0|2,0,0]=2 99 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,0,0,0,0,0|2,0,0]=2 101 B9R0.53 CC(O)CN(C)CC(C)O 2230a_100000227577_100011218427 [0,0,0,0,0,0|4,0,0]=4 102 B9R0.53 CC(O)CN(C)CC(C)O 2230a_100011218400_200000210301 [0,0,0,0,0,0|4,0,0]=4 103 B9R0.53 CC(O)CN(C)CC(C)O 269982a_100000227577_100011218427 [0,0,0,0,0,0|4,0,0]=4 104 B9R0.53 CC(O)CN(C)CC(C)O 269982a_100011218400_200000210301 [0,0,0,0,0,0|4,0,0]=4 105 B9R0.53 CC(O)CN(C)C[C@@H](C)O 2230a_100000227577_100009817552 [0,0,0,0,0,0|4,0,0]=4 106 B9R0.53 CC(O)CN(C)C[C@@H](C)O 269982a_100000227577_100009817552 [0,0,0,0,0,0|4,0,0]=4 107 B9R0.53 CC(O)CN([13CH3])CC(C)O 2230a_100011218400_200025704644 [0,0,0,0,0,0|4,0,0]=4 108 B9R0.53 CC(O)CN([13CH3])CC(C)O 269982a_100011218400_200025704644 [0,0,0,0,0,0|4,0,0]=4 109 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.53 CN(C)CC(=O)CC(F)F 1458a_100000750896_100011934356 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.53 CN(C)CC(=O)C[N+](=O)[O-] 1458a_100000750896_100000761209 [0,0,0,0,0,0|4,0,0]=4 113 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.53 C[C@@H](O)CC(=O)CC(F)F 1458a_100011933948_100011934356 [0,0,0,0,0,0|3,0,0]=3 116 B9R0.53 C[C@@H](O)CC(=O)C[N+](=O)[O-] 1458a_100011933948_100000761209 [0,0,0,0,0,0|4,0,0]=4 117 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.53 C[S+](C)CC(=O)CC(F)F 1458a_200159257847_100011934356 [0,0,0,0,0,0|3,0,0]=3 120 B9R0.53 C[S+](C)CC(=O)C[N+](=O)[O-] 1458a_200159257847_100000761209 [0,0,0,0,0,0|4,0,0]=4 121 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [1,0,0,0,0,0|0,0,2]=3 122 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [1,0,0,0,0,0|0,0,2]=3 123 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [1,0,0,0,0,0|1,0,2]=4 124 B8R0.5 C#CCC(=O)CN(C)C 1458a_100000750896_100000184674 [1,0,0,0,0,0|1,0,2]=4 125 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [1,0,0,0,0,0|1,0,2]=4 126 B8R0.5 C#CCC(=O)C[S+](C)C 1458a_200159257847_100000184674 [1,0,0,0,0,0|1,0,2]=4 127 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [1,0,0,0,0,0|1,0,2]=4 128 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [1,0,0,0,0,0|1,0,2]=4 129 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,0,0,0,0,0|0,0,2]=3 130 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [1,0,0,0,0,0|1,0,2]=4 131 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [1,0,0,0,0,0|1,0,2]=4 132 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [1,0,0,0,0,0|1,0,2]=4 133 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [1,0,0,0,0,0|1,0,2]=4 136 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [1,0,0,0,0,0|0,0,2]=3 137 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [1,0,0,0,0,0|0,0,2]=3 138 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [1,0,0,0,0,0|1,0,2]=4 139 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [1,0,0,0,0,0|1,0,2]=4 140 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [1,0,0,0,0,0|1,0,2]=4 141 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [1,0,0,0,0,0|1,0,2]=4 142 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [1,0,0,0,0,0|1,0,2]=4 143 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [1,0,0,0,0,0|1,0,2]=4 144 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [1,0,0,0,0,0|1,0,2]=4 145 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [1,0,0,0,0,0|1,0,2]=4 146 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [1,0,0,0,0,0|0,0,2]=3 147 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [1,0,0,0,0,0|1,0,2]=4 148 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [1,0,0,0,0,0|1,0,2]=4 149 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [1,0,0,0,0,0|1,0,2]=4 150 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [1,0,0,0,0,0|1,0,2]=4 151 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [1,0,0,0,0,0|1,0,2]=4 152 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [1,0,0,0,0,0|1,0,2]=4 153 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [1,0,0,0,0,0|1,0,1]=3 154 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [1,0,0,0,0,0|1,0,1]=3 155 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [1,0,0,0,0,0|1,0,0]=2 156 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,0,0,0,0,0|1,0,0]=2 157 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,0,0,0,0,0|1,0,0]=2 158 B8R0.5 CC(C)CN(C)CCF 2230a_100000747067_100011217306 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.5 CC(C)CN(C)CCF 269982a_100000747067_100011217306 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [1,0,0,0,0,0|3,0,0]=4 167 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [1,0,0,0,0,0|2,0,1]=4 170 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [1,0,0,0,0,0|2,0,1]=4 171 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [1,0,0,0,0,0|2,0,0]=3 173 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [1,0,0,0,0,0|2,0,0]=3 174 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [1,0,0,0,0,0|2,0,0]=3 175 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [1,0,0,0,0,0|2,0,0]=3 176 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [1,0,0,0,0,0|2,0,0]=3 177 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [1,0,0,0,0,0|2,0,0]=3 178 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [1,0,0,0,0,0|2,0,1]=4 179 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,0,0,0,0,0|2,0,0]=3 180 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,0,0,0,0,0|0,0,2]=3 181 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,0,0,0,0,0|1,0,2]=4 182 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [1,0,0,0,0,0|1,0,2]=4 183 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [1,0,0,0,0,0|1,0,2]=4 184 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [1,0,0,0,0,0|1,0,2]=4 185 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,0,0,0,0,0|0,0,2]=3 186 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,0,0,0,0,0|1,0,2]=4 187 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,0,0,0,0,0|1,0,2]=4 188 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,0,0,0,0,0|1,0,1]=3 189 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,0,0,0,0,0|2,0,1]=4 192 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,0,0,0,0,0|0,0,0]=1 193 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,0,0,0,0,0|0,0,0]=1 194 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,0,0,0,0,0|1,0,0]=2 195 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [1,0,0,0,0,0|2,0,0]=3 196 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [1,0,0,0,0,0|1,0,0]=2 197 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [1,0,0,0,0,0|1,0,0]=2 198 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [1,0,0,0,0,0|1,0,0]=2 199 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,0,0,0,0,0|1,0,0]=2 200 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [1,0,0,0,0,0|1,0,0]=2 202 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,0,0,0,0,0|1,0,0]=2 203 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,0,0,0,0,0|1,0,0]=2 204 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,0,0,0,0,0|1,0,0]=2 205 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,0,0,0,0,0|1,0,0]=2 206 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [1,0,0,0,0,0|2,0,1]=4 207 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [1,0,0,0,0,0|2,0,1]=4 209 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [1,0,0,0,0,0|2,0,1]=4 210 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [1,0,0,0,0,0|2,0,1]=4 211 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [1,0,0,0,0,0|2,0,1]=4 212 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,0,0,0,0,0|2,0,1]=4 213 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,0,0,0,0,0|2,0,1]=4 214 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [1,0,0,0,0,0|2,0,1]=4 217 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [1,0,0,0,0,0|2,0,0]=3 218 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [1,0,0,0,0,0|2,0,0]=3 219 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [1,0,0,0,0,0|2,0,0]=3 220 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [1,0,0,0,0,0|2,0,0]=3 221 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [1,0,0,0,0,0|2,0,0]=3 222 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [1,0,0,0,0,0|3,0,0]=4 223 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [1,0,0,0,0,0|3,0,0]=4 224 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [1,0,0,0,0,0|3,0,0]=4 227 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [1,0,0,0,0,0|3,0,0]=4 228 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,0,0,0,0,0|2,0,1]=4 229 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,0,0,0,0,0|2,0,1]=4 230 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [1,0,0,0,0,0|1,0,2]=4 231 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [1,0,0,0,0,0|1,0,2]=4 232 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,0,0,0,0,0|2,0,1]=4 233 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,0,0,0,0,0|1,0,0]=2 234 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,0,0,0,0,0|1,0,0]=2 235 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,0,0,0,0,0|1,0,0]=2 236 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [1,0,0,0,0,0|2,0,0]=3 237 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [1,0,0,0,0,0|2,0,0]=3 238 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [1,0,0,0,0,0|2,0,0]=3 239 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [1,0,0,0,0,0|2,0,0]=3 240 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [1,0,0,0,0,0|2,0,0]=3 241 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [1,0,0,0,0,0|2,0,0]=3 242 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [1,0,0,0,0,0|2,0,0]=3 243 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [1,0,0,0,0,0|2,0,0]=3 244 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [1,0,0,0,0,0|2,0,0]=3 245 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,0,0,0,0,0|2,0,0]=3 246 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [1,0,0,0,0,0|2,0,0]=3 247 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [1,0,0,0,0,0|2,0,0]=3 248 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [1,0,0,0,0,0|2,0,0]=3 249 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [1,0,0,0,0,0|2,0,0]=3 250 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [1,0,0,0,0,0|2,0,0]=3 251 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [1,0,0,0,0,0|2,0,0]=3 253 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [1,0,0,0,0,0|2,0,0]=3 254 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [1,0,0,0,0,0|2,0,1]=4 255 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [1,0,0,0,0,0|2,0,1]=4 256 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,0,0,0,0,0|2,0,1]=4 257 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,0,0,0,0,0|2,0,1]=4 258 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,0,0,0,0,0|2,0,1]=4 259 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [1,0,0,0,0,0|2,0,0]=3 260 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [1,0,0,0,0,0|2,0,0]=3 261 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [1,0,0,0,0,0|2,0,0]=3 262 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [1,0,0,0,0,0|2,0,0]=3 263 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,0,0,0,0,0|2,0,1]=4 264 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,0,0,0,0,0|2,0,1]=4 265 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [1,0,0,0,0,0|2,0,1]=4 268 B8R0.5 CN(C)CC(=O)CC#N 1458a_100000750896_100011214920 [1,0,0,0,0,0|2,0,1]=4 269 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [1,0,0,0,0,0|2,0,0]=3 270 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [1,0,0,0,0,0|2,0,0]=3 271 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [1,0,0,0,0,0|3,0,0]=4 273 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [1,0,0,0,0,0|2,0,0]=3 274 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [1,0,0,0,0,0|2,0,0]=3 275 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [1,0,0,0,0,0|2,0,0]=3 277 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [1,0,0,0,0,0|2,0,0]=3 278 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [1,0,0,0,0,0|2,0,0]=3 279 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [1,0,0,0,0,0|2,0,0]=3 280 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [1,0,0,0,0,0|2,0,0]=3 281 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [1,0,0,0,0,0|3,0,0]=4 282 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [1,0,0,0,0,0|3,0,0]=4 283 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [1,0,0,0,0,0|3,0,0]=4 284 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [1,0,0,0,0,0|3,0,0]=4 285 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [1,0,0,0,0,0|3,0,0]=4 286 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [1,0,0,0,0,0|3,0,0]=4 287 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [1,0,0,0,0,0|1,0,0]=2 288 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,0,0,0,0,0|2,0,0]=3 289 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [1,0,0,0,0,0|3,0,0]=4 290 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [1,0,0,0,0,0|2,0,0]=3 291 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [1,0,0,0,0,0|2,0,0]=3 292 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [1,0,0,0,0,0|2,0,0]=3 293 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [1,0,0,0,0,0|2,0,0]=3 294 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [1,0,0,0,0,0|2,0,0]=3 296 B8R0.5 COCN(C)CC(C)C 2230a_100000747067_100000766300 [1,0,0,0,0,0|3,0,0]=4 297 B8R0.5 COCN(C)CC(C)C 269982a_100000747067_100000766300 [1,0,0,0,0,0|3,0,0]=4 298 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,0,0,0,0,0|1,0,0]=2 300 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,0,0,0,0,0|2,0,0]=3 301 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [1,0,0,0,0,0|2,0,0]=3 303 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [1,0,0,0,0,0|2,0,0]=3 304 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [1,0,0,0,0,0|2,0,0]=3 305 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [1,0,0,0,0,0|2,0,0]=3 306 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [1,0,0,0,0,0|2,0,0]=3 307 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [1,0,0,0,0,0|2,0,0]=3 308 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [1,0,0,0,0,0|2,0,0]=3 309 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [1,0,0,0,0,0|2,0,0]=3 310 B8R0.5 CSCN(C)CC(C)C 2230a_100000747067_100011218213 [1,0,0,0,0,0|3,0,0]=4 311 B8R0.5 CSCN(C)CC(C)C 269982a_100000747067_100011218213 [1,0,0,0,0,0|3,0,0]=4 312 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,0,0,0,0,0|2,0,0]=3 314 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,0,0,0,0,0|2,0,0]=3 315 B8R0.5 C[S+](C)CC(=O)CC#N 1458a_200159257847_100011214920 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [1,0,0,0,0,0|2,0,0]=3 317 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [1,0,0,0,0,0|2,0,0]=3 318 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,0,0,0,0,0|1,0,2]=4 320 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,0,0,0,0,0|1,0,2]=4 321 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,0,0,0,0,0|1,0,2]=4 322 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,0,0,0,0,0|1,0,2]=4 323 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,0,0,0,0,0|1,0,2]=4 324 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,0,0,0,0,0|1,0,2]=4 325 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,0,0,0,0,0|1,0,2]=4 326 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,0|1,0,2]=4 327 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,0|1,0,2]=4 328 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,0,0,0,0,0|2,0,1]=4 329 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,0,0,0,0,0|2,0,1]=4 330 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,0,0,0,0,0|1,0,2]=4 333 B8R0.28 CC(C)C=NNC(C)C 4a_100000741168_100000210432 [1,0,0,0,0,0|2,0,1]=4 334 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,0|1,0,2]=4 335 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,0,0,0,0,0|1,0,1]=3 336 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,0,0,0,0,0|1,0,1]=3 337 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [1,0,0,0,0,0|1,0,1]=3 338 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [1,0,0,0,0,0|1,0,1]=3 339 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,0,0,0,0,0|1,0,1]=3 340 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,0,0,0,0,0|1,0,1]=3 341 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,0,0,0,0,0|1,0,1]=3 342 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [1,0,0,0,0,0|1,0,1]=3 343 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [1,0,0,0,0,0|1,0,1]=3 344 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [1,0,0,0,0,0|1,0,0]=2 345 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [1,0,0,0,0,0|1,0,0]=2 346 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [1,0,0,0,0,0|1,0,0]=2 347 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,0,0,0,0,0|2,0,0]=3 348 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,0,0,0,0,0|2,0,0]=3 349 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,0,0,0,0,0|2,0,0]=3 350 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,0,0,0,0,0|2,0,0]=3 351 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,0,0,0,0,0|2,0,0]=3 352 B8R0.28 CC(C)CNCC(F)F 2230a_100000210953_100011934356 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.28 CC(C)CNCC(F)F 270004a_100000765723_100000210432 [1,0,0,0,0,0|3,0,0]=4 354 B8R0.28 CC(C)CNCC(F)F 34a_100000210953_100011934356 [1,0,0,0,0,0|3,0,0]=4 355 B8R0.28 CC(C)CNCC(F)F 34a_100000765723_100000210624 [1,0,0,0,0,0|3,0,0]=4 356 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,0,0,0,0,0|2,0,0]=3 357 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,0,0,0,0,0|2,0,0]=3 358 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,0,0,0,0,0|2,0,1]=4 359 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [1,0,0,0,0,0|2,0,0]=3 360 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [1,0,0,0,0,0|1,0,0]=2 361 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [1,0,0,0,0,0|2,0,0]=3 362 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,0,0,0,0,0|2,0,0]=3 363 B8R0.28 CC(C)COCC(F)F 34a_100000210257_100011934356 [1,0,0,0,0,0|3,0,0]=4 364 B8R0.28 CC(C)COCC(F)F 34a_100000743014_100000210624 [1,0,0,0,0,0|3,0,0]=4 365 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [1,0,0,0,0,0|2,0,0]=3 366 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [1,0,0,0,0,0|2,0,0]=3 367 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,0,0,0,0,0|2,0,0]=3 368 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [1,0,0,0,0,0|1,0,0]=2 369 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [1,0,0,0,0,0|2,0,0]=3 370 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [1,0,0,0,0,0|2,0,0]=3 371 B8R0.28 CC(C)CSCC(F)F 62a_100000210624_100011934356 [1,0,0,0,0,0|3,0,0]=4 372 B8R0.28 CC(C)CSCC(F)F 62a_100011934356_100000210760 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [1,0,0,0,0,0|2,0,0]=3 374 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [1,0,0,0,0,0|2,0,0]=3 375 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [1,0,0,0,0,0|2,0,1]=4 386 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [1,0,0,0,0,0|3,0,0]=4 387 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,0,0,0,0,0|2,0,1]=4 393 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,0,0,0,0,0|2,0,1]=4 394 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,0,0,0,0,0|2,0,1]=4 395 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [1,0,0,0,0,0|3,0,0]=4 396 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [1,0,0,0,0,0|3,0,0]=4 398 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [1,0,0,0,0,0|3,0,0]=4 399 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [1,0,0,0,0,0|3,0,0]=4 400 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [1,0,0,0,0,0|3,0,0]=4 401 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [1,0,0,0,0,0|3,0,0]=4 402 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [1,0,0,0,0,0|3,0,0]=4 404 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [1,0,0,0,0,0|3,0,0]=4 405 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.28 CN(C)CCCN(C)C 269982a_100000225831_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B8R0.28 CN(C)CCCN(C)C 269982a_100102631434_100000757444 [1,0,0,0,0,0|2,0,1]=4 408 B8R0.28 CN(C)CCCN(C)[13CH3] 269982a_100000225831_200025704644 [1,0,0,0,0,0|2,0,1]=4 409 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [1,0,0,0,0,0|3,0,0]=4 410 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [1,0,0,0,0,0|3,0,0]=4 411 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [1,0,0,0,0,0|3,0,0]=4 412 B10R0.13 C=C(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748629 [0,1,0,0,0,0|0,0,2]=3 413 B10R0.13 C=C(C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000748629 [0,1,0,0,0,0|1,0,2]=4 414 B10R0.13 C=C(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000748629 [0,1,0,0,0,0|0,0,2]=3 415 B10R0.13 C=C(F)CC(=O)C(C)C(C)C 1458a_100000755409_100009893438 [0,1,0,0,0,0|1,0,2]=4 416 B10R0.13 C=C(F)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100009893438 [0,1,0,0,0,0|1,0,2]=4 417 B10R0.13 CC(=CC(=O)N(C)C(C)C)C 11a_200000211004_100000211388 [0,1,0,0,0,0|1,0,2]=4 418 B10R0.13 CC(=CC(=O)N(C)C(C)C)C 1626a_200000211004_100000211388 [0,1,0,0,0,0|1,0,2]=4 419 B10R0.13 CC(=CC(=O)N(C)C(C)C)C 240690a_200000211004_100000211388 [0,1,0,0,0,0|1,0,2]=4 420 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,1,0,0,0,0|1,0,1]=3 421 B10R0.13 CC(=O)C(C)C(=O)CN(C)C 1458a_100000750896_100000179758 [0,1,0,0,0,0|2,0,1]=4 422 B10R0.13 CC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000179758 [0,1,0,0,0,0|2,0,1]=4 423 B10R0.13 CC(=O)C(C)C(=O)C[S+](C)C 1458a_200159257847_100000179758 [0,1,0,0,0,0|2,0,1]=4 424 B10R0.13 CC(=O)C(C)C(=O)NC(C)C 1458a_100000070787_100000195394 [0,1,0,0,0,0|2,0,1]=4 425 B10R0.13 CC(=O)CC(=O)N(C)C(C)C 1458a_100000070787_100000230190 [0,1,0,0,0,0|2,0,1]=4 426 B10R0.13 CC(C)C(C)C(=O)CC(=O)N 1458a_100000755409_100000187820 [0,1,0,0,0,0|2,0,1]=4 427 B10R0.13 CC(C)C(C)C(=O)CC(=O)[O-] 1458a_100000755409_100020667443 [0,1,0,0,0,0|2,0,1]=4 428 B10R0.13 CC(C)C(C)C(=O)CC(F)F 1458a_100000755409_100011934356 [0,1,0,0,0,0|2,0,0]=3 429 B10R0.13 CC(C)C(C)C(=O)C[N+](=O)[O-] 1458a_100000755409_100000761209 [0,1,0,0,0,0|3,0,0]=4 430 B10R0.13 CC(C)C(C)N(C)C[C@@H](C)O 2230a_100000228512_100009817552 [0,1,0,0,0,0|3,0,0]=4 431 B10R0.13 CC(C)C(C)N(C)C[C@@H](C)O 269982a_100000228512_100009817552 [0,1,0,0,0,0|3,0,0]=4 432 B10R0.13 CC(C)CC(=O)C(=O)N(C)C 1458a_100011218876_100000210624 [0,1,0,0,0,0|1,0,1]=3 433 B10R0.13 CC(C)CC(=O)C(C)C(=O)N 1458a_100000210554_100000702099 [0,1,0,0,0,0|2,0,1]=4 434 B10R0.13 CC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000210624 [0,1,0,0,0,0|0,0,0]=1 435 B10R0.13 CC(C)CC(=O)C(F)C(=O)N 1458a_100000210554_100009813875 [0,1,0,0,0,0|2,0,1]=4 436 B10R0.13 CC(C)CC(=O)C(F)C(=O)[O-] 1458a_100000210554_100020610796 [0,1,0,0,0,0|2,0,1]=4 437 B10R0.13 CC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000210554 [0,1,0,0,0,0|1,0,0]=2 438 B10R0.13 CC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000210554 [0,1,0,0,0,0|1,0,0]=2 439 B10R0.13 CC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000210554 [0,1,0,0,0,0|1,0,0]=2 440 B10R0.13 CC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000210554 [0,1,0,0,0,0|1,0,0]=2 441 B10R0.13 CC(C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210624 [0,1,0,0,0,0|1,0,0]=2 442 B10R0.13 CC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210624 [0,1,0,0,0,0|0,0,0]=1 443 B10R0.13 CC(C)CC(C)C(=O)C(C)C 1458a_100000210198_100000731052 [0,1,0,0,0,0|1,0,2]=4 444 B10R0.13 CC(C)CC(C)N(C)C(C)C 2230a_100000745462_100000210206 [0,1,0,0,0,0|2,0,1]=4 445 B10R0.13 CC(C)CC(C)N(C)C(C)C 269982a_100000745462_100000210206 [0,1,0,0,0,0|2,0,1]=4 446 B10R0.13 CC(C)CC(C)N(C)C(C)C 269982a_200000211004_100000731052 [0,1,0,0,0,0|2,0,1]=4 447 B10R0.13 CC(C)CN(C)C(=O)C(C)C 11a_100000747067_100000210198 [0,1,0,0,0,0|2,0,1]=4 448 B10R0.13 CC(C)CN(C)C(=O)C(C)C 1626a_100000747067_100000210198 [0,1,0,0,0,0|2,0,1]=4 449 B10R0.13 CC(C)CN(C)C(=O)C(C)C 240690a_100000747067_100000210198 [0,1,0,0,0,0|2,0,1]=4 450 B10R0.13 CC(C)CN(C)C(=O)C(C)C 527a_100000747067_100000210198 [0,1,0,0,0,0|2,0,1]=4 451 B10R0.13 CC(C)CN(C)C(C)C(C)C 2230a_100000228512_100000210760 [0,1,0,0,0,0|2,0,0]=3 452 B10R0.13 CC(C)CN(C)C(C)C(C)C 269982a_100000228512_100000210624 [0,1,0,0,0,0|2,0,0]=3 453 B10R0.13 CC(C)CN(C)C(C)C(C)C 270004a_100000228512_100000210432 [0,1,0,0,0,0|2,0,0]=3 454 B10R0.13 CC(C)C[C@H](O)C(=O)C(C)C 1458a_100012027011_100000210206 [0,1,0,0,0,0|0,0,3]=4 455 B10R0.13 CC(C)N(C)C(=O)CN(C)C 11a_200000211004_100000750896 [0,1,0,0,0,0|2,0,0]=3 456 B10R0.13 CC(C)N(C)C(=O)CN(C)C 2230a_100102631434_100000230190 [0,1,0,0,0,0|2,0,0]=3 457 B10R0.13 CC(C)N(C)C(=O)CN(C)C 240690a_200000211004_100000750896 [0,1,0,0,0,0|2,0,0]=3 458 B10R0.13 CC(C)N(C)C(=O)CN(C)C 269982a_100102631434_100000230190 [0,1,0,0,0,0|2,0,0]=3 459 B10R0.13 CC(C)N(C)C(=O)CN(C)C 527a_200000211004_100000750896 [0,1,0,0,0,0|2,0,0]=3 460 B10R0.13 CC(C)N(C)C(=O)C[C@@H](C)O 240690a_200000211004_100011933948 [0,1,0,0,0,0|2,0,0]=3 461 B10R0.13 CC(C)N(C)C(=O)C[S+](C)C 11a_200000211004_200159257847 [0,1,0,0,0,0|2,0,0]=3 462 B10R0.13 CC(C)N(C)C(=O)C[S+](C)C 1626a_200000211004_200159257847 [0,1,0,0,0,0|2,0,0]=3 463 B10R0.13 CC(C)N(C)C(=O)C[S+](C)C 240690a_200000211004_200159257847 [0,1,0,0,0,0|2,0,0]=3 464 B10R0.13 CC(C)N(C)C(=O)C[S+](C)C 527a_200000211004_200159257847 [0,1,0,0,0,0|2,0,0]=3 465 B10R0.13 CC(C)NC(=O)C(=O)C(C)C 1458a_100011220036_100000210206 [0,1,0,0,0,0|1,0,1]=3 466 B10R0.13 CC(C)NC(=O)C(=O)N(C)C 1626a_100102631434_100011220036 [0,1,0,0,0,0|2,0,1]=4 467 B10R0.13 CC(C)NC(=O)C(=O)N(C)C 1626a_100138425928_100011218876 [0,1,0,0,0,0|2,0,1]=4 468 B10R0.13 CC(C)NC(=O)C(=O)N(C)C 240690a_100102631434_100011220036 [0,1,0,0,0,0|2,0,1]=4 469 B10R0.13 CC(C)NC(=O)C(=O)N(C)C 240690a_100138425928_100011218876 [0,1,0,0,0,0|2,0,1]=4 470 B10R0.13 CC(C)NC(=O)C(=O)N(C)C 527a_100102631434_100011220036 [0,1,0,0,0,0|2,0,1]=4 471 B10R0.13 CC(C)NC(=O)C(=O)N(C)C 527a_100138425928_100011218876 [0,1,0,0,0,0|2,0,1]=4 472 B10R0.13 CC(C)NC(=O)C(C)C(C)C 11a_100138425928_100000755409 [0,1,0,0,0,0|1,0,0]=2 473 B10R0.13 CC(C)NC(=O)C(C)C(C)C 1626a_100138425928_100000755409 [0,1,0,0,0,0|1,0,0]=2 474 B10R0.13 CC(C)NC(=O)C(C)C(C)C 240690a_100138425928_100000755409 [0,1,0,0,0,0|1,0,0]=2 475 B10R0.13 CC(C)NC(=O)C(C)C(C)C 527a_100138425928_100000755409 [0,1,0,0,0,0|1,0,0]=2 476 B10R0.13 CC(C)NC(=O)C(C)N(C)C 2230a_100102631434_100000195394 [0,1,0,0,0,0|2,0,0]=3 477 B10R0.13 CC(C)NC(=O)C(C)N(C)C 269982a_100102631434_100000195394 [0,1,0,0,0,0|2,0,0]=3 478 B10R0.13 CC(C)NC(=O)N(C)C(C)C 2708a_100138425928_200000211004 [0,1,0,0,0,0|2,0,0]=3 479 B10R0.13 CC(C)NC(=O)N(C)C(C)C 273464a_100138425928_200000211004 [0,1,0,0,0,0|2,0,0]=3 480 B10R0.13 CC(C)NC(=O)[C@H](C)N(C)C 240690a_100138425928_100009822176 [0,1,0,0,0,0|2,0,0]=3 481 B10R0.13 CC(C)NC(=O)[C@H](C)N(C)C 527a_100138425928_100009822176 [0,1,0,0,0,0|2,0,0]=3 482 B10R0.13 CC(C)NC(=O)[C@H](O)C(C)C 240690a_100138425928_100000691806 [0,1,0,0,0,0|1,0,0]=2 483 B10R0.13 CC(C)[C@@H](O)C(=O)CC(=O)N 1458a_100000691806_100000187820 [0,1,0,0,0,0|2,0,1]=4 484 B10R0.13 CC(C)[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000691806_100020667443 [0,1,0,0,0,0|2,0,1]=4 485 B10R0.13 CC(C)[C@@H](O)C(=O)CC(F)F 1458a_100000691806_100011934356 [0,1,0,0,0,0|2,0,0]=3 486 B10R0.13 CC(C)[C@@H](O)C(=O)C[N+](=O)[O-] 1458a_100000691806_100000761209 [0,1,0,0,0,0|3,0,0]=4 487 B10R0.13 CC(O)CC(=O)C(=O)N(C)C 1458a_100011218876_100011218427 [0,1,0,0,0,0|2,0,1]=4 488 B10R0.13 CC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218427 [0,1,0,0,0,0|1,0,0]=2 489 B10R0.13 CC(O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100011218427 [0,1,0,0,0,0|2,0,0]=3 490 B10R0.13 CC(O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011218427 [0,1,0,0,0,0|1,0,0]=2 491 B10R0.13 CC(O)CN(C)C(C)C(C)C 2230a_100000228512_100011218427 [0,1,0,0,0,0|3,0,0]=4 492 B10R0.13 CC(O)CN(C)C(C)C(C)C 269982a_100000228512_100011218427 [0,1,0,0,0,0|3,0,0]=4 493 B10R0.13 C[C@@H](C(=O)CC(F)F)N(C)C 1458a_100009822176_100011934356 [0,1,0,0,0,0|3,0,0]=4 494 B10R0.31 C=C(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000748629 [0,1,0,0,0,0|0,0,2]=3 495 B10R0.31 C=C(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748629 [0,1,0,0,0,0|0,0,2]=3 496 B10R0.31 C=C(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000748629 [0,1,0,0,0,0|1,0,2]=4 497 B10R0.31 C=C(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000748629 [0,1,0,0,0,0|0,1,2]=4 498 B10R0.31 C=C(F)CC(=O)CC(C)(C)C 1458a_100000211214_100009893438 [0,1,0,0,0,0|1,0,2]=4 499 B10R0.31 C=C(F)CC(=O)CC(C)(C)O 1458a_100000693243_100009893438 [0,1,0,0,0,0|1,0,2]=4 500 B10R0.31 CC(=CC(=O)C[Si](C)(C)C)C 1458a_100000211388_100000233785 [0,1,0,0,0,0|0,1,2]=4 501 B10R0.31 CC(=CC(=O)NC(C)(C)C)C 11a_100000715429_100000211388 [0,1,0,0,0,0|1,0,2]=4 502 B10R0.31 CC(=CC(=O)NC(C)(C)C)C 1626a_100000715429_100000211388 [0,1,0,0,0,0|1,0,2]=4 503 B10R0.31 CC(=CC(=O)NC(C)(C)C)C 240690a_100000715429_100000211388 [0,1,0,0,0,0|1,0,2]=4 504 B10R0.31 CC(=O)CC(=O)NC(C)(C)C 1458a_100000070787_100000182746 [0,1,0,0,0,0|2,0,1]=4 505 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_200000210301 [0,1,0,0,0,0|2,0,1]=4 506 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000070787_100000183872 [0,1,0,0,0,0|2,0,1]=4 507 B10R0.31 CC(C)(C)CC(=O)CC(=O)N 1458a_100000211214_100000187820 [0,1,0,0,0,0|2,0,1]=4 508 B10R0.31 CC(C)(C)CC(=O)CC(=O)[O-] 1458a_100000211214_100020667443 [0,1,0,0,0,0|2,0,1]=4 509 B10R0.31 CC(C)(C)CC(=O)CC(F)F 1458a_100000211214_100011934356 [0,1,0,0,0,0|2,0,0]=3 510 B10R0.31 CC(C)(C)CC(=O)C[N+](=O)[O-] 1458a_100000211214_100000761209 [0,1,0,0,0,0|3,0,0]=4 511 B10R0.31 CC(C)(C)OC(=O)CC(=O)[13CH3] 1458a_100000033093_200025704644 [0,1,0,0,0,0|2,0,1]=4 512 B10R0.31 CC(C)(O)CC(=O)CC(=O)N 1458a_100000693243_100000187820 [0,1,0,0,0,0|2,0,1]=4 513 B10R0.31 CC(C)(O)CC(=O)CC(=O)[O-] 1458a_100000693243_100020667443 [0,1,0,0,0,0|2,0,1]=4 514 B10R0.31 CC(C)(O)CC(=O)CC(F)F 1458a_100000693243_100011934356 [0,1,0,0,0,0|2,0,0]=3 515 B10R0.31 CC(C)(O)CC(=O)C[N+](=O)[O-] 1458a_100000693243_100000761209 [0,1,0,0,0,0|3,0,0]=4 516 B10R0.31 CC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000210624 [0,1,0,0,0,0|0,0,0]=1 517 B10R0.31 CC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000210624 [0,1,0,0,0,0|0,0,0]=1 518 B10R0.31 CC(C)CC(=O)CC(F)(F)F 1458a_100000245130_100000210624 [0,1,0,0,0,0|2,0,0]=3 519 B10R0.31 CC(C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000210624 [0,1,0,0,0,0|2,0,0]=3 520 B10R0.31 CC(C)CC(=O)CS(=O)(=O)N 1458a_100000210554_100000741382 [0,1,0,0,0,0|3,0,0]=4 521 B10R0.31 CC(C)CC(=O)CS(=O)(=O)[O-] 1458a_100000210554_100009817235 [0,1,0,0,0,0|3,0,0]=4 522 B10R0.31 CC(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000210624 [0,1,0,0,0,0|1,0,0]=2 523 B10R0.31 CC(C)CC(=O)C[Si](C)(C)C 1458a_100000210554_100000233785 [0,1,0,0,0,0|0,1,0]=2 524 B10R0.31 CC(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000210624 [0,1,0,0,0,0|0,1,0]=2 525 B10R0.31 CC(C)CC(=O)NC(C)(C)C 11a_100000715429_100000210554 [0,1,0,0,0,0|1,0,0]=2 526 B10R0.31 CC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100000210554 [0,1,0,0,0,0|1,0,0]=2 527 B10R0.31 CC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000210554 [0,1,0,0,0,0|1,0,0]=2 528 B10R0.31 CC(C)CC(=O)NC(C)(C)C 527a_100000715429_100000210554 [0,1,0,0,0,0|1,0,0]=2 529 B10R0.31 CC(C)CC(=O)NS(=O)(=O)C 2740a_100000171171_100000210554 [0,1,0,0,0,0|3,0,0]=4 530 B10R0.31 CC(C)CC(C)NC(C)(C)C 2230a_100000715429_100000731052 [0,1,0,0,0,0|2,0,1]=4 531 B10R0.31 CC(C)CC(C)OC(C)(C)C 34a_100000211805_100000210625 [0,1,0,0,0,0|2,0,1]=4 532 B10R0.31 CC(C)CC(C)OC(C)(C)C 34a_100015890283_100000731052 [0,1,0,0,0,0|2,0,1]=4 533 B10R0.31 CC(C)CC(C)OC(C)(C)C 7a_100015890283_100000731052 [0,1,0,0,0,0|2,0,1]=4 534 B10R0.31 CC(C)CC(C)SC(C)(C)C 62a_100000211941_100000731052 [0,1,0,0,0,0|2,0,1]=4 535 B10R0.31 CC(C)CC(C)SC(C)(C)C 62a_100000731052_100000211941 [0,1,0,0,0,0|2,0,1]=4 536 B10R0.31 CC(C)CN(C)CC(C)(C)C 2230a_100000742839_100000210760 [0,1,0,0,0,0|2,0,0]=3 537 B10R0.31 CC(C)CN(C)CC(C)(C)C 269982a_100000742839_100000210624 [0,1,0,0,0,0|2,0,0]=3 538 B10R0.31 CC(C)CN(C)CC(C)(C)C 270004a_100000742839_100000210432 [0,1,0,0,0,0|2,0,0]=3 539 B10R0.31 CC(C)CN(C)CC(C)(C)C 270004a_100000747067_100011204126 [0,1,0,0,0,0|2,0,0]=3 540 B10R0.31 CC(C)CN(C)CC(C)(C)O 2230a_100000755907_100000210760 [0,1,0,0,0,0|2,0,0]=3 541 B10R0.31 CC(C)CN(C)CC(C)(C)O 269982a_100000755907_100000210624 [0,1,0,0,0,0|2,0,0]=3 542 B10R0.31 CC(C)CN(C)CC(C)(C)O 270004a_100000755907_100000210432 [0,1,0,0,0,0|2,0,0]=3 543 B10R0.31 CC(C)CN(C)C[N+](C)(C)C 269982a_100000747067_200000036245 [0,1,0,0,0,0|3,0,0]=4 544 B10R0.31 CC(C)CN(C)C[Si](C)(C)C 2230a_100000747067_100000037933 [0,1,0,0,0,0|2,1,0]=4 545 B10R0.31 CC(C)CN(C)C[Si](C)(C)C 269982a_200020589227_100000210624 [0,1,0,0,0,0|2,1,0]=4 546 B10R0.31 CC(C)NC(=O)CC(C)(C)C 11a_100138425928_100000211214 [0,1,0,0,0,0|1,0,0]=2 547 B10R0.31 CC(C)NC(=O)CC(C)(C)C 1626a_100138425928_100000211214 [0,1,0,0,0,0|1,0,0]=2 548 B10R0.31 CC(C)NC(=O)CC(C)(C)C 240690a_100138425928_100000211214 [0,1,0,0,0,0|1,0,0]=2 549 B10R0.31 CC(C)NC(=O)CC(C)(C)C 527a_100138425928_100000211214 [0,1,0,0,0,0|1,0,0]=2 550 B10R0.31 CC(C)NC(=O)CC(C)(C)O 527a_100138425928_100000693243 [0,1,0,0,0,0|1,0,0]=2 551 B10R0.31 CC(C)NC(=O)CC(F)(F)F 11a_100138425928_100000245130 [0,1,0,0,0,0|3,0,0]=4 552 B10R0.31 CC(C)NC(=O)CC(F)(F)F 1626a_100138425928_100000245130 [0,1,0,0,0,0|3,0,0]=4 553 B10R0.31 CC(C)NC(=O)CC(F)(F)F 527a_100138425928_100000245130 [0,1,0,0,0,0|3,0,0]=4 554 B10R0.31 CC(C)NC(=O)CS(=O)(=O)C 11a_100138425928_100000744497 [0,1,0,0,0,0|3,0,0]=4 555 B10R0.31 CC(C)NC(=O)CS(=O)(=O)C 240690a_100138425928_100000744497 [0,1,0,0,0,0|3,0,0]=4 556 B10R0.31 CC(C)NC(=O)CS(=O)(=O)C 527a_100138425928_100000744497 [0,1,0,0,0,0|3,0,0]=4 557 B10R0.31 CC(C)NC(=O)C[N+](C)(C)C 11a_100138425928_100000033712 [0,1,0,0,0,0|2,0,0]=3 558 B10R0.31 CC(C)NC(=O)C[N+](C)(C)C 1626a_100138425928_100000033712 [0,1,0,0,0,0|2,0,0]=3 559 B10R0.31 CC(C)NC(=O)C[N+](C)(C)C 240690a_100138425928_100000033712 [0,1,0,0,0,0|2,0,0]=3 560 B10R0.31 CC(C)NC(=O)C[N+](C)(C)C 527a_100138425928_100000033712 [0,1,0,0,0,0|2,0,0]=3 561 B10R0.31 CC(C)NC(=O)C[Si](C)(C)C 11a_100138425928_100011218504 [0,1,0,0,0,0|1,1,0]=3 562 B10R0.31 CC(C)NC(=O)C[Si](C)(C)C 1626a_100138425928_100011218504 [0,1,0,0,0,0|1,1,0]=3 563 B10R0.31 CC(C)NC(=O)NC(C)(C)C 2708a_100138425928_100000715429 [0,1,0,0,0,0|2,0,0]=3 564 B10R0.31 CC(C)NC(=O)NC(C)(C)C 273464a_100138425928_100000715429 [0,1,0,0,0,0|2,0,0]=3 565 B10R0.31 CC(C)NC(=O)NC(C)(C)C 512a_100000715429_100138425928 [0,1,0,0,0,0|2,0,0]=3 566 B10R0.31 CC(C)N[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210206 [0,1,0,0,0,0|2,0,1]=4 567 B10R0.31 CC(C)OC(C)CC(C)(C)C 7a_200011218616_100000210206 [0,1,0,0,0,0|2,0,1]=4 568 B10R0.31 CC(O)CC(=O)CC(C)(C)C 1458a_100000211214_100011218427 [0,1,0,0,0,0|1,0,0]=2 569 B10R0.31 CC(O)CC(=O)CC(C)(C)O 1458a_100000693243_100011218427 [0,1,0,0,0,0|1,0,0]=2 570 B10R0.31 CC(O)CC(=O)CC(F)(F)F 1458a_100000245130_100011218427 [0,1,0,0,0,0|3,0,0]=4 571 B10R0.31 CC(O)CC(=O)CS(=O)(=O)C 1458a_100000744497_100011218427 [0,1,0,0,0,0|3,0,0]=4 572 B10R0.31 CC(O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100011218427 [0,1,0,0,0,0|2,0,0]=3 573 B10R0.31 CC(O)CC(=O)C[Si](C)(C)C 1458a_100011218504_100011218427 [0,1,0,0,0,0|1,1,0]=3 574 B10R0.31 CC(O)CN(C)CC(C)(C)C 2230a_100000742839_100011218427 [0,1,0,0,0,0|3,0,0]=4 575 B10R0.31 CC(O)CN(C)CC(C)(C)C 269982a_100000742839_100011218427 [0,1,0,0,0,0|3,0,0]=4 576 B10R0.31 CC(O)CN(C)CC(C)(C)C 270004a_100000227577_100011204126 [0,1,0,0,0,0|3,0,0]=4 577 B10R0.31 CC(O)CN(C)CC(C)(C)O 2230a_100000755907_100011218427 [0,1,0,0,0,0|3,0,0]=4 578 B10R0.31 CC(O)CN(C)CC(C)(C)O 269982a_100000755907_100011218427 [0,1,0,0,0,0|3,0,0]=4 579 B10R0.31 CN(C)CC(=O)C[Si](C)(C)C 1458a_100000750896_100000233785 [0,1,0,0,0,0|1,1,0]=3 580 B10R0.31 CN(C)CC(=O)NC(C)(C)C 11a_100000715429_100000750896 [0,1,0,0,0,0|2,0,0]=3 581 B10R0.31 CN(C)CC(=O)NC(C)(C)C 2230a_100102631434_100000182746 [0,1,0,0,0,0|2,0,0]=3 582 B10R0.31 CN(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000750896 [0,1,0,0,0,0|2,0,0]=3 583 B10R0.31 CN(C)CC(=O)NC(C)(C)C 269982a_100102631434_100000182746 [0,1,0,0,0,0|2,0,0]=3 584 B10R0.31 CN(C)CC(=O)NC(C)(C)C 527a_100000715429_100000750896 [0,1,0,0,0,0|2,0,0]=3 585 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100000725589_200000210301 [0,1,0,0,0,0|2,0,0]=3 586 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100102631434_100000183872 [0,1,0,0,0,0|2,0,0]=3 587 B10R0.31 CN(C)CC(=O)O[Si](C)(C)C 2230a_100102631434_200009813336 [0,1,0,0,0,0|2,1,0]=4 588 B10R0.31 CN([13CH3])CC(=O)OC(C)(C)C 2230a_100000725589_200025704644 [0,1,0,0,0,0|2,0,0]=3 589 B10R0.31 C[C@@H](O)CC(=O)C[Si](C)(C)C 1458a_100011933948_100000233785 [0,1,0,0,0,0|1,1,0]=3 590 B10R0.31 C[C@@H](O)CC(=O)NC(C)(C)C 240690a_100000715429_100011933948 [0,1,0,0,0,0|2,0,0]=3 591 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)C 2230a_100000742839_100009817552 [0,1,0,0,0,0|3,0,0]=4 592 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)C 269982a_100000742839_100009817552 [0,1,0,0,0,0|3,0,0]=4 593 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)O 2230a_100000755907_100009817552 [0,1,0,0,0,0|3,0,0]=4 594 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)O 269982a_100000755907_100009817552 [0,1,0,0,0,0|3,0,0]=4 595 B10R0.31 C[N+](C)(C)CC(=O)CC(F)F 1458a_100000033712_100011934356 [0,1,0,0,0,0|3,0,0]=4 596 B10R0.31 C[S+](C)CC(=O)C[Si](C)(C)C 1458a_200159257847_100000233785 [0,1,0,0,0,0|1,1,0]=3 597 B10R0.31 C[S+](C)CC(=O)NC(C)(C)C 11a_100000715429_200159257847 [0,1,0,0,0,0|2,0,0]=3 598 B10R0.31 C[S+](C)CC(=O)NC(C)(C)C 1626a_100000715429_200159257847 [0,1,0,0,0,0|2,0,0]=3 599 B10R0.31 C[S+](C)CC(=O)NC(C)(C)C 240690a_100000715429_200159257847 [0,1,0,0,0,0|2,0,0]=3 600 B10R0.31 C[S+](C)CC(=O)NC(C)(C)C 527a_100000715429_200159257847 [0,1,0,0,0,0|2,0,0]=3 601 B10R0.31 C[Si](C)(C)CC(=O)CC(F)F 1458a_100011218504_100011934356 [0,1,0,0,0,0|2,1,0]=4 602 B10R0.44 C#CC(C)NC(=O)CC(C)C 11a_100000707721_100000210554 [0,1,0,0,0,0|1,0,1]=3 603 B10R0.44 C#CC(C)NC(=O)CC(C)C 1626a_100000707721_100000210554 [0,1,0,0,0,0|1,0,1]=3 604 B10R0.44 C#CC(C)NC(=O)CC(C)C 240690a_100000707721_100000210554 [0,1,0,0,0,0|1,0,1]=3 605 B10R0.44 C#CC(C)NC(=O)CC(C)C 527a_100000707721_100000210554 [0,1,0,0,0,0|1,0,1]=3 606 B10R0.44 C#CC(C)NC(=O)CN(C)C 11a_100000707721_100000750896 [0,1,0,0,0,0|2,0,1]=4 607 B10R0.44 C#CC(C)NC(=O)CN(C)C 240690a_100000707721_100000750896 [0,1,0,0,0,0|2,0,1]=4 608 B10R0.44 C#CC(C)NC(=O)CN(C)C 527a_100000707721_100000750896 [0,1,0,0,0,0|2,0,1]=4 609 B10R0.44 C#CC(C)NC(=O)C[C@@H](C)O 240690a_100000707721_100011933948 [0,1,0,0,0,0|2,0,1]=4 610 B10R0.44 C#CC(C)NC(=O)C[S+](C)C 11a_100000707721_200159257847 [0,1,0,0,0,0|2,0,1]=4 611 B10R0.44 C#CC(C)NC(=O)C[S+](C)C 1626a_100000707721_200159257847 [0,1,0,0,0,0|2,0,1]=4 612 B10R0.44 C#CC(C)NC(=O)C[S+](C)C 240690a_100000707721_200159257847 [0,1,0,0,0,0|2,0,1]=4 613 B10R0.44 C#CC(C)NC(=O)C[S+](C)C 527a_100000707721_200159257847 [0,1,0,0,0,0|2,0,1]=4 614 B10R0.44 C#CC(C)NC(=O)NC(C)C 2708a_100000707721_100138425928 [0,1,0,0,0,0|2,0,1]=4 615 B10R0.44 C#CC(C)NC(=O)NC(C)C 2708a_100138425928_100000707721 [0,1,0,0,0,0|2,0,1]=4 616 B10R0.44 C#CC(C)NC(=O)NC(C)C 273464a_100138425928_100000707721 [0,1,0,0,0,0|2,0,1]=4 617 B10R0.44 C#CC(C)NC(=O)NC(C)C 512a_100000707721_100138425928 [0,1,0,0,0,0|2,0,1]=4 618 B10R0.44 C#CC(C)NC(=O)NC(C)C 512a_100138425928_100000707721 [0,1,0,0,0,0|2,0,1]=4 619 B10R0.44 C=C(C#N)CC(=O)CC(C)C 1458a_100000210554_100000694840 [0,1,0,0,0,0|0,0,3]=4 620 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,1,0,0,0,0|0,0,2]=3 621 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,1,0,0,0,0|1,0,2]=4 622 B10R0.44 C=C(C)CC(=O)CN(C)CC 1458a_100116209913_100000748629 [0,1,0,0,0,0|1,0,2]=4 623 B10R0.44 C=C(F)CC(=O)CC(C)CC 1458a_100000708755_100009893438 [0,1,0,0,0,0|1,0,2]=4 624 B10R0.44 C=CC(C)CC(=O)CC(=C)C 1458a_100011934298_100000748629 [0,1,0,0,0,0|0,0,3]=4 625 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [0,1,0,0,0,0|0,0,1]=2 626 B10R0.44 C=CC(C)CC(=O)CC(C)O 1458a_100011934298_100011218427 [0,1,0,0,0,0|1,0,1]=3 627 B10R0.44 C=CC(C)CC(=O)CC(F)F 1458a_100011934298_100011934356 [0,1,0,0,0,0|2,0,1]=4 628 B10R0.44 C=CC(C)CC(=O)NC(C)C 11a_100138425928_100011934298 [0,1,0,0,0,0|1,0,1]=3 629 B10R0.44 C=CC(C)CC(=O)NC(C)C 1626a_100138425928_100011934298 [0,1,0,0,0,0|1,0,1]=3 630 B10R0.44 C=CC(C)CC(=O)NC(C)C 240690a_100138425928_100011934298 [0,1,0,0,0,0|1,0,1]=3 631 B10R0.44 C=CC(C)CC(=O)NC(C)C 527a_100138425928_100011934298 [0,1,0,0,0,0|1,0,1]=3 632 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,1,0,0,0,0|0,0,2]=3 633 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [0,1,0,0,0,0|1,0,2]=4 634 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [0,1,0,0,0,0|1,0,2]=4 635 B10R0.44 CC(=CC(=O)N[C@H](C)CF)C 11a_100102880703_100000211388 [0,1,0,0,0,0|1,0,2]=4 636 B10R0.44 CC(=CC(=O)N[C@H](C)CF)C 1626a_100102880703_100000211388 [0,1,0,0,0,0|1,0,2]=4 637 B10R0.44 CC(=CC(=O)N[C@H](C)CF)C 240690a_100102880703_100000211388 [0,1,0,0,0,0|1,0,2]=4 638 B10R0.44 CC(=CC(=O)N[C@H](C)CO)C 240690a_100000737577_100000211388 [0,1,0,0,0,0|1,0,2]=4 639 B10R0.44 CC(C#N)NC(=O)CN(C)C 11a_100000737613_100000750896 [0,1,0,0,0,0|2,0,1]=4 640 B10R0.44 CC(C#N)NC(=O)CN(C)C 527a_100000737613_100000750896 [0,1,0,0,0,0|2,0,1]=4 641 B10R0.44 CC(C#N)NC(=O)C[S+](C)C 11a_100000737613_200159257847 [0,1,0,0,0,0|2,0,1]=4 642 B10R0.44 CC(C#N)NC(=O)C[S+](C)C 1626a_100000737613_200159257847 [0,1,0,0,0,0|2,0,1]=4 643 B10R0.44 CC(C#N)NC(=O)C[S+](C)C 527a_100000737613_200159257847 [0,1,0,0,0,0|2,0,1]=4 644 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,1,0,0,0,0|0,0,0]=1 645 B10R0.44 CC(C)CC(=O)NC(C)C#N 11a_100000737613_100000210554 [0,1,0,0,0,0|1,0,1]=3 646 B10R0.44 CC(C)CC(=O)NC(C)C#N 1626a_100000737613_100000210554 [0,1,0,0,0,0|1,0,1]=3 647 B10R0.44 CC(C)CC(=O)NC(C)C#N 527a_100000737613_100000210554 [0,1,0,0,0,0|1,0,1]=3 648 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [0,1,0,0,0,0|1,0,0]=2 649 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [0,1,0,0,0,0|1,0,0]=2 650 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [0,1,0,0,0,0|1,0,0]=2 651 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [0,1,0,0,0,0|1,0,0]=2 652 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,1,0,0,0,0|1,0,0]=2 653 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,1,0,0,0,0|1,0,0]=2 654 B10R0.44 CC(C)CC(C)NC(C)CO 2230a_100000692259_100012180447 [0,1,0,0,0,0|2,0,1]=4 655 B10R0.44 CC(C)CC(C)N[C@H](C)CO 2230a_100000737577_100000731052 [0,1,0,0,0,0|2,0,1]=4 656 B10R0.44 CC(C)CC(C)OC(C)CF 34a_100016041109_100000731052 [0,1,0,0,0,0|2,0,1]=4 657 B10R0.44 CC(C)CC(C)OC(C)CF 7a_100016041109_100000731052 [0,1,0,0,0,0|2,0,1]=4 658 B10R0.44 CC(C)CC(C)OC(C)CN 34a_100000210904_100000731052 [0,1,0,0,0,0|2,0,1]=4 659 B10R0.44 CC(C)CC(C)OC(C)CO 34a_100000211805_100012180447 [0,1,0,0,0,0|2,0,1]=4 660 B10R0.44 CC(C)CC(C)OC(C)CO 7a_100000211805_100012180447 [0,1,0,0,0,0|2,0,1]=4 661 B10R0.44 CC(C)CC(C)SC(C)CO 62a_100012180447_100000731052 [0,1,0,0,0,0|2,0,1]=4 662 B10R0.44 CC(C)CC(C)S[C@H](C)CO 62a_100000731052_100016084084 [0,1,0,0,0,0|2,0,1]=4 663 B10R0.44 CC(C)CC(C)S[C@H](C)CO 62a_100016084084_100000731052 [0,1,0,0,0,0|2,0,1]=4 664 B10R0.44 CC(C)CN(C)CC(O)CO 2230a_100000747067_100011219619 [0,1,0,0,0,0|3,0,0]=4 665 B10R0.44 CC(C)CN(C)CC(O)CO 2230a_100011216503_100000210760 [0,1,0,0,0,0|3,0,0]=4 666 B10R0.44 CC(C)CN(C)CC(O)CO 269982a_100011216503_100000210624 [0,1,0,0,0,0|3,0,0]=4 667 B10R0.44 CC(C)CN(C)CC(O)CO 270004a_100011216503_100000210432 [0,1,0,0,0,0|3,0,0]=4 668 B10R0.44 CC(C)CN(C)C[C@@H](C)CO 2230a_100000747067_100000059175 [0,1,0,0,0,0|2,0,0]=3 669 B10R0.44 CC(C)CN(C)C[C@@H](C)CO 269982a_100000747067_100000059175 [0,1,0,0,0,0|2,0,0]=3 670 B10R0.44 CC(C)CN(C)C[C@@H](O)CF 2230a_100000747067_100015614560 [0,1,0,0,0,0|3,0,0]=4 671 B10R0.44 CC(C)CN(C)C[C@@H](O)CO 2230a_100000747067_100009815848 [0,1,0,0,0,0|3,0,0]=4 672 B10R0.44 CC(C)NC(=O)CC(=O)CO 1458a_100000210174_100000183996 [0,1,0,0,0,0|2,0,1]=4 673 B10R0.44 CC(C)NC(=O)CN(C)CF 269982a_100000168146_100015361967 [0,1,0,0,0,0|2,0,0]=3 674 B10R0.44 CC(C)NC(=O)NC(C)C#N 2708a_100000737613_100138425928 [0,1,0,0,0,0|2,0,1]=4 675 B10R0.44 CC(C)NC(=O)NC(C)C#N 2708a_100138425928_100000737613 [0,1,0,0,0,0|2,0,1]=4 676 B10R0.44 CC(C)NC(=O)NC(C)C#N 273464a_100138425928_100000737613 [0,1,0,0,0,0|2,0,1]=4 677 B10R0.44 CC(C)NC(=O)NC(C)C#N 512a_100000737613_100138425928 [0,1,0,0,0,0|2,0,1]=4 678 B10R0.44 CC(C)NC(=O)NC(C)C#N 512a_100138425928_100000737613 [0,1,0,0,0,0|2,0,1]=4 679 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 2708a_100138425928_100102880703 [0,1,0,0,0,0|2,0,0]=3 680 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 273464a_100138425928_100102880703 [0,1,0,0,0,0|2,0,0]=3 681 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100102880703_100138425928 [0,1,0,0,0,0|2,0,0]=3 682 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100138425928_100102880703 [0,1,0,0,0,0|2,0,0]=3 683 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 2708a_100138425928_100000737577 [0,1,0,0,0,0|2,0,0]=3 684 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100138425928 [0,1,0,0,0,0|2,0,0]=3 685 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100138425928_100000737577 [0,1,0,0,0,0|2,0,0]=3 686 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [0,1,0,0,0,0|2,0,1]=4 687 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [0,1,0,0,0,0|2,0,0]=3 688 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [0,1,0,0,0,0|2,0,0]=3 689 B10R0.44 CC(O)CN(C)C[C@@H](C)CO 2230a_100000227577_100000059175 [0,1,0,0,0,0|3,0,0]=4 690 B10R0.44 CC(O)CN(C)C[C@@H](C)CO 269982a_100000227577_100000059175 [0,1,0,0,0,0|3,0,0]=4 691 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,1,0,0,0,0|0,0,2]=3 692 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [0,1,0,0,0,0|1,0,2]=4 693 B10R0.44 CCC(=CC(=O)NC(C)C)C 11a_100138425928_100020758463 [0,1,0,0,0,0|1,0,2]=4 694 B10R0.44 CCC(=CC(=O)NC(C)C)C 1626a_100138425928_100020758463 [0,1,0,0,0,0|1,0,2]=4 695 B10R0.44 CCC(=CC(=O)NC(C)C)C 240690a_100138425928_100020758463 [0,1,0,0,0,0|1,0,2]=4 696 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,1,0,0,0,0|1,0,1]=3 697 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [0,1,0,0,0,0|2,0,1]=4 698 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,1,0,0,0,0|2,0,1]=4 699 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [0,1,0,0,0,0|2,0,1]=4 700 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [0,1,0,0,0,0|2,0,1]=4 701 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,1,0,0,0,0|2,0,1]=4 702 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,1,0,0,0,0|0,0,2]=3 703 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,1,0,0,0,0|1,0,2]=4 704 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,1,0,0,0,0|1,0,2]=4 705 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,1,0,0,0,0|2,0,1]=4 706 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,1,0,0,0,0|2,0,1]=4 707 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,1,0,0,0,0|2,0,1]=4 708 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,1,0,0,0,0|0,0,0]=1 709 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,1,0,0,0,0|0,0,0]=1 710 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,1,0,0,0,0|1,0,0]=2 711 B10R0.44 CCC(C)CC(=O)CC(F)F 1458a_100000708755_100011934356 [0,1,0,0,0,0|2,0,0]=3 712 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [0,1,0,0,0,0|1,0,0]=2 713 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,1,0,0,0,0|1,0,0]=2 714 B10R0.44 CCC(C)CC(=O)C[N+](=O)[O-] 1458a_100000708755_100000761209 [0,1,0,0,0,0|3,0,0]=4 715 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [0,1,0,0,0,0|1,0,0]=2 716 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,1,0,0,0,0|1,0,0]=2 717 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,1,0,0,0,0|1,0,0]=2 718 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,1,0,0,0,0|1,0,0]=2 719 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,1,0,0,0,0|1,0,0]=2 720 B10R0.44 CCC(C)CC(C)NC(C)C 2230a_100000763565_100000210206 [0,1,0,0,0,0|2,0,1]=4 721 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000747067_100000748023 [0,1,0,0,0,0|2,0,0]=3 722 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000753921_100000210760 [0,1,0,0,0,0|2,0,0]=3 723 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000747067_100000748023 [0,1,0,0,0,0|2,0,0]=3 724 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000753921_100000210624 [0,1,0,0,0,0|2,0,0]=3 725 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000747067_100000243153 [0,1,0,0,0,0|2,0,0]=3 726 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000753921_100000210432 [0,1,0,0,0,0|2,0,0]=3 727 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000227577_100000748023 [0,1,0,0,0,0|3,0,0]=4 728 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000753921_100011218427 [0,1,0,0,0,0|3,0,0]=4 729 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000227577_100000748023 [0,1,0,0,0,0|3,0,0]=4 730 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000753921_100011218427 [0,1,0,0,0,0|3,0,0]=4 731 B10R0.44 CCC(C)CN(C)CC(C)O 270004a_100000227577_100000243153 [0,1,0,0,0,0|3,0,0]=4 732 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 2230a_100000753921_100009817552 [0,1,0,0,0,0|3,0,0]=4 733 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 269982a_100000753921_100009817552 [0,1,0,0,0,0|3,0,0]=4 734 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [0,1,0,0,0,0|1,0,2]=4 735 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [0,1,0,0,0,0|1,0,2]=4 736 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [0,1,0,0,0,0|1,0,2]=4 737 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,1,0,0,0,0|2,0,1]=4 738 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [0,1,0,0,0,0|1,0,0]=2 739 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [0,1,0,0,0,0|1,0,0]=2 740 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [0,1,0,0,0,0|1,0,0]=2 741 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [0,1,0,0,0,0|1,0,0]=2 742 B10R0.44 CCC(C)NC(=O)CN(C)C 11a_100000209981_100000750896 [0,1,0,0,0,0|2,0,0]=3 743 B10R0.44 CCC(C)NC(=O)CN(C)C 2230a_100102631434_100000182745 [0,1,0,0,0,0|2,0,0]=3 744 B10R0.44 CCC(C)NC(=O)CN(C)C 240690a_100000209981_100000750896 [0,1,0,0,0,0|2,0,0]=3 745 B10R0.44 CCC(C)NC(=O)CN(C)C 269982a_100102631434_100000182745 [0,1,0,0,0,0|2,0,0]=3 746 B10R0.44 CCC(C)NC(=O)CN(C)C 527a_100000209981_100000750896 [0,1,0,0,0,0|2,0,0]=3 747 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,1,0,0,0,0|2,0,0]=3 748 B10R0.44 CCC(C)NC(=O)C[S+](C)C 11a_100000209981_200159257847 [0,1,0,0,0,0|2,0,0]=3 749 B10R0.44 CCC(C)NC(=O)C[S+](C)C 1626a_100000209981_200159257847 [0,1,0,0,0,0|2,0,0]=3 750 B10R0.44 CCC(C)NC(=O)C[S+](C)C 240690a_100000209981_200159257847 [0,1,0,0,0,0|2,0,0]=3 751 B10R0.44 CCC(C)NC(=O)C[S+](C)C 527a_100000209981_200159257847 [0,1,0,0,0,0|2,0,0]=3 752 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100000209981_100138425928 [0,1,0,0,0,0|2,0,0]=3 753 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100138425928_100000209981 [0,1,0,0,0,0|2,0,0]=3 754 B10R0.44 CCC(C)NC(=O)NC(C)C 273464a_100138425928_100000209981 [0,1,0,0,0,0|2,0,0]=3 755 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100000209981_100138425928 [0,1,0,0,0,0|2,0,0]=3 756 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100138425928_100000209981 [0,1,0,0,0,0|2,0,0]=3 757 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000209981_100000731052 [0,1,0,0,0,0|2,0,1]=4 758 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000692259_100000758301 [0,1,0,0,0,0|2,0,1]=4 759 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,1,0,0,0,0|2,0,1]=4 760 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,1,0,0,0,0|2,0,1]=4 761 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,1,0,0,0,0|2,0,1]=4 762 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000731052_100000758301 [0,1,0,0,0,0|2,0,1]=4 763 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000758301_100000731052 [0,1,0,0,0,0|2,0,1]=4 764 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [0,1,0,0,0,0|1,0,2]=4 765 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,1,0,0,0,0|1,0,0]=2 766 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,1,0,0,0,0|1,0,0]=2 767 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,1,0,0,0,0|2,0,0]=3 768 B10R0.44 CCC(O)CC(=O)CC(F)F 1458a_100011667805_100011934356 [0,1,0,0,0,0|3,0,0]=4 769 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [0,1,0,0,0,0|2,0,0]=3 770 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,1,0,0,0,0|2,0,0]=3 771 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [0,1,0,0,0,0|2,0,0]=3 772 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,1,0,0,0,0|2,0,0]=3 773 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,1,0,0,0,0|2,0,0]=3 774 B10R0.44 CCC(O)CN(C)CC(C)C 2230a_100000747067_100011218378 [0,1,0,0,0,0|3,0,0]=4 775 B10R0.44 CCC(O)CN(C)CC(C)C 269982a_100000747067_100011218378 [0,1,0,0,0,0|3,0,0]=4 776 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [0,1,0,0,0,0|1,0,0]=2 777 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [0,1,0,0,0,0|2,0,0]=3 778 B10R0.44 CCN(C)CC(=O)CC(F)F 1458a_100116209913_100011934356 [0,1,0,0,0,0|3,0,0]=4 779 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210202 [0,1,0,0,0,0|2,0,0]=3 780 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000225621_100000183996 [0,1,0,0,0,0|2,0,0]=3 781 B10R0.44 CCN(C)CC(=O)NC(C)C 240690a_100138425928_100116209913 [0,1,0,0,0,0|2,0,0]=3 782 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000168146_100000204670 [0,1,0,0,0,0|2,0,0]=3 783 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000225621_100000183996 [0,1,0,0,0,0|2,0,0]=3 784 B10R0.44 CCN(C)CC(=O)NC(C)C 527a_100138425928_100116209913 [0,1,0,0,0,0|2,0,0]=3 785 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [0,1,0,0,0,0|2,0,0]=3 786 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [0,1,0,0,0,0|2,0,0]=3 787 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,1,0,0,0,0|0,0,2]=3 788 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,1,0,0,0,0|1,0,2]=4 789 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,1,0,0,0,0|1,0,2]=4 790 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,1,0,0,0,0|2,0,1]=4 791 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,1,0,0,0,0|0,0,0]=1 792 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [0,1,0,0,0,0|1,0,0]=2 793 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,1,0,0,0,0|1,0,0]=2 794 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [0,1,0,0,0,0|1,0,0]=2 795 B10R0.44 CC[C@H](C)CN(C)CC(C)C 2230a_100000747067_100009816398 [0,1,0,0,0,0|2,0,0]=3 796 B10R0.44 CC[C@H](C)CN(C)CC(C)C 269982a_100000747067_100009816398 [0,1,0,0,0,0|2,0,0]=3 797 B10R0.44 CC[C@H](C)CN(C)CC(C)O 2230a_100000227577_100009816398 [0,1,0,0,0,0|3,0,0]=4 798 B10R0.44 CC[C@H](C)CN(C)CC(C)O 269982a_100000227577_100009816398 [0,1,0,0,0,0|3,0,0]=4 799 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,1,0,0,0,0|1,0,1]=3 800 B10R0.44 CNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183359 [0,1,0,0,0,0|2,0,1]=4 801 B10R0.44 CNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183359 [0,1,0,0,0,0|2,0,1]=4 802 B10R0.44 CNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183359 [0,1,0,0,0,0|2,0,1]=4 803 B10R0.44 CNC(C)OC(=O)OC(C)C 7a_106832991635_100000067433 [0,1,0,0,0,0|2,0,0]=3 804 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,1,0,0,0,0|1,0,1]=3 805 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,1,0,0,0,0|1,0,1]=3 806 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,1,0,0,0,0|2,0,1]=4 807 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [0,1,0,0,0,0|2,0,1]=4 808 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,1,0,0,0,0|2,0,1]=4 809 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [0,1,0,0,0,0|2,0,1]=4 810 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [0,1,0,0,0,0|2,0,1]=4 811 B10R0.44 COC(C)SC(C)CC(C)C 62a_100000731052_100009879195 [0,1,0,0,0,0|2,0,1]=4 812 B10R0.44 COC(C)SC(C)CC(C)C 62a_100009879195_100000731052 [0,1,0,0,0,0|2,0,1]=4 813 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [0,1,0,0,0,0|2,0,0]=3 814 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [0,1,0,0,0,0|2,0,0]=3 815 B10R0.44 C[C@@H](CO)CC(=O)CC(=O)N 1458a_100134613110_100000059175 [0,1,0,0,0,0|2,0,1]=4 816 B10R0.44 C[C@@H](CO)CC(=O)CN(C)C 1458a_100000750896_100000059175 [0,1,0,0,0,0|1,0,0]=2 817 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,1,0,0,0,0|1,0,0]=2 818 B10R0.44 C[C@@H](CO)CC(=O)C[S+](C)C 1458a_200159257847_100000059175 [0,1,0,0,0,0|1,0,0]=2 819 B10R0.44 C[C@H](CF)NC(=O)CN(C)C 11a_100102880703_100000750896 [0,1,0,0,0,0|2,0,0]=3 820 B10R0.44 C[C@H](CF)NC(=O)CN(C)C 240690a_100102880703_100000750896 [0,1,0,0,0,0|2,0,0]=3 821 B10R0.44 C[C@H](CF)NC(=O)CN(C)C 527a_100102880703_100000750896 [0,1,0,0,0,0|2,0,0]=3 822 B10R0.44 C[C@H](CF)NC(=O)C[C@@H](C)O 240690a_100102880703_100011933948 [0,1,0,0,0,0|2,0,0]=3 823 B10R0.44 C[C@H](CF)NC(=O)C[S+](C)C 11a_100102880703_200159257847 [0,1,0,0,0,0|2,0,0]=3 824 B10R0.44 C[C@H](CF)NC(=O)C[S+](C)C 1626a_100102880703_200159257847 [0,1,0,0,0,0|2,0,0]=3 825 B10R0.44 C[C@H](CF)NC(=O)C[S+](C)C 240690a_100102880703_200159257847 [0,1,0,0,0,0|2,0,0]=3 826 B10R0.44 C[C@H](CF)NC(=O)C[S+](C)C 527a_100102880703_200159257847 [0,1,0,0,0,0|2,0,0]=3 827 B10R0.44 C[C@H](CO)NC(=O)CN(C)C 240690a_100000737577_100000750896 [0,1,0,0,0,0|2,0,0]=3 828 B10R0.44 C[C@H](CO)NC(=O)CN(C)C 527a_100000737577_100000750896 [0,1,0,0,0,0|2,0,0]=3 829 B10R0.44 C[C@H](CO)NC(=O)C[C@@H](C)O 240690a_100000737577_100011933948 [0,1,0,0,0,0|2,0,0]=3 830 B10R0.44 C[C@H](CO)NC(=O)C[S+](C)C 240690a_100000737577_200159257847 [0,1,0,0,0,0|2,0,0]=3 831 B10R0.44 C[C@H](CO)NC(=O)C[S+](C)C 527a_100000737577_200159257847 [0,1,0,0,0,0|2,0,0]=3 832 B10R0.70 C#CC(CC(C)C)OC(C)C 34a_100011215986_100000210206 [0,1,0,0,0,0|2,0,1]=4 833 B10R0.70 C#CC(CC(C)C)OC(C)C 7a_100011215986_100000210206 [0,1,0,0,0,0|2,0,1]=4 834 B10R0.70 C=CC(CC(C)C)OC(C)C 34a_100012186643_100000210206 [0,1,0,0,0,0|2,0,1]=4 835 B10R0.70 C=CC(CC(C)C)OC(C)C 7a_100012186643_100000210206 [0,1,0,0,0,0|2,0,1]=4 836 B10R0.70 CC(C)CC(C#N)NC(C)C 2230a_100000741378_100000210206 [0,1,0,0,0,0|2,0,1]=4 837 B10R0.70 CC(C)CC(C#N)OC(C)C 34a_200011294978_100000210206 [0,1,0,0,0,0|2,0,1]=4 838 B10R0.70 CC(C)CC(C#N)OC(C)C 7a_200011294978_100000210206 [0,1,0,0,0,0|2,0,1]=4 839 B10R0.70 CC(C)CC(CC(C)C)N[13CH3] 2230a_100000751966_200025704644 [0,1,0,0,0,0|1,0,1]=3 840 B10R0.70 CC(C)CC(CC(C)C)O[13CH3] 34a_100011219621_200025704644 [0,1,0,0,0,0|0,0,2]=3 841 B10R0.70 CC(C)CC(CC(C)C)O[13CH3] 7a_100011219621_200025704644 [0,1,0,0,0,0|0,0,2]=3 842 B10R0.70 CC(C)CN(CF)CC(C)C 269982a_100000201412_100015361967 [0,1,0,0,0,0|2,0,0]=3 843 B10R0.70 CC(C)CN(CF)CC(C)C 34a_100000201412_100015361967 [0,1,0,0,0,0|2,0,0]=3 844 B10R0.70 CC(C)C[C@@H](CO)NC(C)C 2230a_100011830311_100000210206 [0,1,0,0,0,0|1,0,2]=4 845 B10R0.70 CC(C)C[C@@H](CO)NC(C)C 34a_100011830311_100000210206 [0,1,0,0,0,0|1,0,2]=4 846 B10R0.70 CCN(CC(C)C)CC(C)C 2230a_100000201412_100000210202 [0,1,0,0,0,0|2,0,0]=3 847 B10R0.70 CCN(CC(C)C)CC(C)C 2230a_100000738554_100000210760 [0,1,0,0,0,0|2,0,0]=3 848 B10R0.70 CCN(CC(C)C)CC(C)C 269982a_100000201412_100000204670 [0,1,0,0,0,0|2,0,0]=3 849 B10R0.70 CCN(CC(C)C)CC(C)C 269982a_100000738554_100000210624 [0,1,0,0,0,0|2,0,0]=3 850 B10R0.70 CCN(CC(C)C)CC(C)C 270004a_100000738554_100000210432 [0,1,0,0,0,0|2,0,0]=3 851 B10R0.70 CCN(CC(C)C)CC(C)C 34a_100000201412_100000210202 [0,1,0,0,0,0|2,0,0]=3 852 B10R0.70 CCN(CC(C)C)CC(C)O 2230a_100000738554_100011218427 [0,1,0,0,0,0|3,0,0]=4 853 B10R0.70 CCN(CC(C)C)CC(C)O 269982a_100000738554_100011218427 [0,1,0,0,0,0|3,0,0]=4 854 B10R0.70 CCN(CC(C)C)C[C@@H](C)O 2230a_100000738554_100009817552 [0,1,0,0,0,0|3,0,0]=4 855 B10R0.70 CCN(CC(C)C)C[C@@H](C)O 269982a_100000738554_100009817552 [0,1,0,0,0,0|3,0,0]=4 856 B10R0.70 CCN(CC(C)C)C[C@H](C)O 2230a_100000729506_100000210760 [0,1,0,0,0,0|3,0,0]=4 857 B10R0.70 CCN(CC(C)C)C[C@H](C)O 269982a_100000729506_100000210624 [0,1,0,0,0,0|3,0,0]=4 858 B10R0.70 CCN(CC(C)C)C[C@H](C)O 270004a_100000729506_100000210432 [0,1,0,0,0,0|3,0,0]=4 859 B10R0.70 CNC(CC(C)C)CC(C)C 2230a_100000751966_200000210301 [0,1,0,0,0,0|1,0,1]=3 860 B10R0.70 COC(CC(C)C)CC(C)C 34a_100011219621_200000210301 [0,1,0,0,0,0|0,0,2]=3 861 B10R0.70 COC(CC(C)C)CC(C)C 7a_100011219621_200000210301 [0,1,0,0,0,0|0,0,2]=3 862 B10R0.165 CC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_200000210301 [0,1,0,0,0,0|2,0,1]=4 863 B10R0.165 CC(C)CC(C)(C)NC(C)C 2230a_100011346068_100000210206 [0,1,0,0,0,0|2,0,1]=4 864 B10R0.165 CC(C)CS(=O)(=O)CC(=O)[13CH3] 1458a_200000740652_200025704644 [0,1,0,0,0,0|2,0,1]=4 865 B10R0.165 CC(C)CS(=O)(=O)NC(C)C 270084a_100138425928_100000748289 [0,1,0,0,0,0|2,0,0]=3 866 B10R0.165 CC(C)CS(=O)(=O)NC(C)C 274078a_100138425928_100000748289 [0,1,0,0,0,0|2,0,0]=3 867 B10R1.54 CC(C)CN1CCC(C1)O 2230a_100011215560_100000210760 [0,0,0,1,0,0|3,0,0]=4 868 B10R1.54 CC(C)CN1CCC(C1)O 269982a_100011215560_100000210624 [0,0,0,1,0,0|3,0,0]=4 869 B10R1.54 CC(C)CN1CCC(C1)O 270004a_100011215560_100000210432 [0,0,0,1,0,0|3,0,0]=4 870 B10R1.54 CC(C)CN1CC[C@@H](C1)F 2230a_100015203821_100000210760 [0,0,0,1,0,0|3,0,0]=4 871 B10R1.54 CC(C)CN1CC[C@@H](C1)F 269982a_100015203821_100000210624 [0,0,0,1,0,0|3,0,0]=4 872 B10R1.54 CC(C)CN1CC[C@@H](C1)F 270004a_100015203821_100000210432 [0,0,0,1,0,0|3,0,0]=4 873 B10R1.54 CC(C)CN1CC[C@@H](C1)F 34a_100015203821_100000210624 [0,0,0,1,0,0|3,0,0]=4 874 B10R1.54 CC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000210760 [0,0,0,1,0,0|2,0,0]=3 875 B10R1.54 CC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000210624 [0,0,0,1,0,0|2,0,0]=3 876 B10R1.54 CC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000210432 [0,0,0,1,0,0|2,0,0]=3 877 B10R1.54 CC(C)CN1CC[C@H](C1)C 34a_100016987628_100000210624 [0,0,0,1,0,0|2,0,0]=3 878 B10R1.54 CC(O)CN1CC[C@H](C1)C 2230a_100016987628_100011218427 [0,0,0,1,0,0|3,0,0]=4 879 B10R1.54 CC(O)CN1CC[C@H](C1)C 269982a_100016987628_100011218427 [0,0,0,1,0,0|3,0,0]=4 880 B10R1.54 CC(O)CN1CC[C@H](C1)C 34a_100016987628_100011218427 [0,0,0,1,0,0|3,0,0]=4 881 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [0,0,0,1,0,0|2,0,1]=4 882 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 2230a_100016987628_100009817552 [0,0,0,1,0,0|3,0,0]=4 883 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 269982a_100016987628_100009817552 [0,0,0,1,0,0|3,0,0]=4 884 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 34a_100016987628_100009817552 [0,0,0,1,0,0|3,0,0]=4 885 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [0,0,0,1,0,0|2,0,1]=4 886 B10R1.59 CC1CC(C(=O)O1)N(C)C 2230a_100102631434_200000216747 [0,0,0,1,0,0|2,0,0]=3 887 B10R1.59 CC1CC(C(=O)O1)N(C)C 269982a_100102631434_200000216747 [0,0,0,1,0,0|2,0,0]=3 888 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,0,0,1,0,0|0,0,2]=3 889 B10R1.110 C=C(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000748629 [0,0,0,1,0,0|1,0,2]=4 890 B10R1.110 C=C(F)CC(=O)C1CC1C 1458a_100000211227_100009893438 [0,0,0,1,0,0|1,0,2]=4 891 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,0,0,1,0,0|0,0,0]=1 892 B10R1.110 CC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210624 [0,0,0,1,0,0|1,0,0]=2 893 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,0,0,1,0,0|1,0,0]=2 894 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,0,0,1,0,0|1,0,0]=2 895 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,0,0,1,0,0|1,0,0]=2 896 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 11a_100138425928_100015396687 [0,0,0,1,0,0|2,0,0]=3 897 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 240690a_100138425928_100015396687 [0,0,0,1,0,0|2,0,0]=3 898 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 527a_100138425928_100015396687 [0,0,0,1,0,0|2,0,0]=3 899 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,0,0,1,0,0|1,0,0]=2 900 B10R1.110 CC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218427 [0,0,0,1,0,0|2,0,0]=3 901 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,0,0,1,0,0|2,0,1]=4 902 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,0,0,1,0,0|2,0,1]=4 903 B10R1.110 CC1CC1C(=O)CC(F)F 1458a_100000211227_100011934356 [0,0,0,1,0,0|2,0,0]=3 904 B10R1.110 CC1CC1C(=O)C[N+](=O)[O-] 1458a_100000211227_100000761209 [0,0,0,1,0,0|3,0,0]=4 905 B10R1.110 O=C(CC(F)F)[C@@H]1C[C@@H]1F 1458a_100015396687_100011934356 [0,0,0,1,0,0|3,0,0]=4 906 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,0,0,1,0,0|0,0,2]=3 907 B10R1.268 C=C(F)CC(=O)CC1CC1 1458a_100000738066_100009893438 [0,0,0,1,0,0|1,0,2]=4 908 B10R1.268 CC(=CC(=O)CC1CC1)C 1458a_100000211388_100000742324 [0,0,0,1,0,0|0,0,2]=3 909 B10R1.268 CC(=CC(=O)CC1CC1)Cl 1458a_200042562850_100000742324 [0,0,0,1,0,0|1,0,2]=4 910 B10R1.268 CC(=CC(=O)CC1CC1)I 1458a_100025716642_100000742324 [0,0,0,1,0,0|1,0,2]=4 911 B10R1.268 CC(=CC(=O)CC1CO1)C 1458a_100000211388_100011216344 [0,0,0,1,0,0|1,0,2]=4 912 B10R1.268 CC(=CC(=O)CC1CS1)C 1458a_100000211388_100000031435 [0,0,0,1,0,0|1,0,2]=4 913 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)C 1458a_100000211388_100000745022 [0,0,0,1,0,0|1,0,2]=4 914 B10R1.268 CC(=CC(=O)NC1CC1)C 1626a_100000212008_100000211388 [0,0,0,1,0,0|1,0,2]=4 915 B10R1.268 CC(=CC(=O)NC1CC1)C 240690a_100000212008_100000211388 [0,0,0,1,0,0|1,0,2]=4 916 B10R1.268 CC(=O)CC(=O)NC1CC1 1458a_100000070787_100000182950 [0,0,0,1,0,0|2,0,1]=4 917 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,0,0,1,0,0|2,0,1]=4 918 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,0,0,1,0,0|0,0,0]=1 919 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,0,0,1,0,0|0,0,0]=1 920 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [0,0,0,1,0,0|1,0,0]=2 921 B10R1.268 CC(C)CC(=O)CC1CS1 1458a_100000210554_100000031435 [0,0,0,1,0,0|1,0,0]=2 922 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [0,0,0,1,0,0|1,0,0]=2 923 B10R1.268 CC(C)CC(=O)NC1CC1 1626a_100000212008_100000210554 [0,0,0,1,0,0|1,0,0]=2 924 B10R1.268 CC(C)CC(=O)NC1CC1 240690a_100000212008_100000210554 [0,0,0,1,0,0|1,0,0]=2 925 B10R1.268 CC(C)CC(=O)NC1CC1 527a_100000212008_100000210554 [0,0,0,1,0,0|1,0,0]=2 926 B10R1.268 CC(C)CC(C)NC1CC1 34a_100000212008_100000731052 [0,0,0,1,0,0|2,0,1]=4 927 B10R1.268 CC(C)CC(C)OC1CC1 34a_100000211805_100000211595 [0,0,0,1,0,0|2,0,1]=4 928 B10R1.268 CC(C)CC(C)SC1CC1 62a_100000731052_100000211595 [0,0,0,1,0,0|2,0,1]=4 929 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000741881_100000210760 [0,0,0,1,0,0|2,0,0]=3 930 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000747067_100000742324 [0,0,0,1,0,0|2,0,0]=3 931 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000741881_100000210624 [0,0,0,1,0,0|2,0,0]=3 932 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000747067_100000756562 [0,0,0,1,0,0|2,0,0]=3 933 B10R1.268 CC(C)CN(C)CC1CC1 270004a_100000741881_100000210432 [0,0,0,1,0,0|2,0,0]=3 934 B10R1.268 CC(C)CN(C)CC1CO1 2230a_100000747067_100011216344 [0,0,0,1,0,0|3,0,0]=4 935 B10R1.268 CC(C)CN(C)CC1CO1 269982a_100000747067_102125554688 [0,0,0,1,0,0|3,0,0]=4 936 B10R1.268 CC(C)CN(C)CC1CS1 269982a_100000747067_100000031435 [0,0,0,1,0,0|3,0,0]=4 937 B10R1.268 CC(C)CN(C)C[C@@H]1CO1 269982a_100000747067_100000745022 [0,0,0,1,0,0|3,0,0]=4 938 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [0,0,0,1,0,0|1,0,0]=2 939 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [0,0,0,1,0,0|1,0,0]=2 940 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [0,0,0,1,0,0|1,0,0]=2 941 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [0,0,0,1,0,0|1,0,0]=2 942 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100000212008_100138425928 [0,0,0,1,0,0|2,0,0]=3 943 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100138425928_100000212008 [0,0,0,1,0,0|2,0,0]=3 944 B10R1.268 CC(C)NC(=O)NC1CC1 273464a_100138425928_100000212008 [0,0,0,1,0,0|2,0,0]=3 945 B10R1.268 CC(C)NC(=O)NC1CC1 512a_100000212008_100138425928 [0,0,0,1,0,0|2,0,0]=3 946 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,0,0,1,0,0|1,0,0]=2 947 B10R1.268 CC(O)CN(C)CC1CC1 2230a_100000227577_100000742324 [0,0,0,1,0,0|3,0,0]=4 948 B10R1.268 CC(O)CN(C)CC1CC1 2230a_100000741881_100011218427 [0,0,0,1,0,0|3,0,0]=4 949 B10R1.268 CC(O)CN(C)CC1CC1 269982a_100000227577_100000756562 [0,0,0,1,0,0|3,0,0]=4 950 B10R1.268 CC(O)CN(C)CC1CC1 269982a_100000741881_100011218427 [0,0,0,1,0,0|3,0,0]=4 951 B10R1.268 CN(C)CC(=O)CC1CC1 1458a_100000750896_100000742324 [0,0,0,1,0,0|1,0,0]=2 952 B10R1.268 CN(C)CC(=O)CC1CO1 1458a_100000750896_100011216344 [0,0,0,1,0,0|2,0,0]=3 953 B10R1.268 CN(C)CC(=O)CC1CS1 1458a_100000750896_100000031435 [0,0,0,1,0,0|2,0,0]=3 954 B10R1.268 CN(C)CC(=O)C[C@@H]1CO1 1458a_100000750896_100000745022 [0,0,0,1,0,0|2,0,0]=3 955 B10R1.268 CN(C)CC(=O)NC1CC1 2230a_100102631434_100000182950 [0,0,0,1,0,0|2,0,0]=3 956 B10R1.268 CN(C)CC(=O)NC1CC1 240690a_100000212008_100000750896 [0,0,0,1,0,0|2,0,0]=3 957 B10R1.268 CN(C)CC(=O)NC1CC1 269982a_100102631434_100000182950 [0,0,0,1,0,0|2,0,0]=3 958 B10R1.268 CN(C)CC(=O)NC1CC1 527a_100000212008_100000750896 [0,0,0,1,0,0|2,0,0]=3 959 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,0,0,1,0,0|1,0,0]=2 960 B10R1.268 C[C@@H](O)CC(=O)CC1CO1 1458a_100011933948_100011216344 [0,0,0,1,0,0|2,0,0]=3 961 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [0,0,0,1,0,0|2,0,0]=3 962 B10R1.268 C[C@@H](O)CC(=O)C[C@@H]1CO1 1458a_100011933948_100000745022 [0,0,0,1,0,0|2,0,0]=3 963 B10R1.268 C[C@@H](O)CC(=O)NC1CC1 240690a_100000212008_100011933948 [0,0,0,1,0,0|2,0,0]=3 964 B10R1.268 C[C@@H](O)CN(C)CC1CC1 2230a_100000741881_100009817552 [0,0,0,1,0,0|3,0,0]=4 965 B10R1.268 C[C@@H](O)CN(C)CC1CC1 269982a_100000741881_100009817552 [0,0,0,1,0,0|3,0,0]=4 966 B10R1.268 C[S+](C)CC(=O)CC1CC1 1458a_200159257847_100000742324 [0,0,0,1,0,0|1,0,0]=2 967 B10R1.268 C[S+](C)CC(=O)CC1CO1 1458a_200159257847_100011216344 [0,0,0,1,0,0|2,0,0]=3 968 B10R1.268 C[S+](C)CC(=O)CC1CS1 1458a_200159257847_100000031435 [0,0,0,1,0,0|2,0,0]=3 969 B10R1.268 C[S+](C)CC(=O)C[C@@H]1CO1 1458a_200159257847_100000745022 [0,0,0,1,0,0|2,0,0]=3 970 B10R1.268 C[S+](C)CC(=O)NC1CC1 1626a_100000212008_200159257847 [0,0,0,1,0,0|2,0,0]=3 971 B10R1.268 C[S+](C)CC(=O)NC1CC1 240690a_100000212008_200159257847 [0,0,0,1,0,0|2,0,0]=3 972 B10R1.268 C[S+](C)CC(=O)NC1CC1 527a_100000212008_200159257847 [0,0,0,1,0,0|2,0,0]=3 973 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,0,0,1,0,0|2,0,1]=4 974 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,0,0,1,0,0|2,0,1]=4 975 B10R1.268 O=C(CC(F)F)CC1CC1 1458a_100000738066_100011934356 [0,0,0,1,0,0|2,0,0]=3 976 B10R1.268 O=C(CC1CC1)C[N+](=O)[O-] 1458a_100000738066_100000761209 [0,0,0,1,0,0|3,0,0]=4 977 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,0,0,1,0,0|2,0,1]=4 978 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,0,0,1,0,0|2,0,1]=4 979 B10R1.371 CC(C)CN1CC(C1)(C)C 2230a_100000753659_100000210760 [0,0,0,1,0,0|2,0,0]=3 980 B10R1.371 CC(C)CN1CC(C1)(C)C 269982a_100000753659_100000210624 [0,0,0,1,0,0|2,0,0]=3 981 B10R1.371 CC(C)CN1CC(C1)(C)C 270004a_100000753659_100000210432 [0,0,0,1,0,0|2,0,0]=3 982 B10R1.371 CC(C)CN1CC(C1)(C)F 2230a_100000696199_100000210760 [0,0,0,1,0,0|3,0,0]=4 983 B10R1.371 CC(C)CN1CC(C1)(C)F 269982a_100000696199_100000210624 [0,0,0,1,0,0|3,0,0]=4 984 B10R1.371 CC(C)CN1CC(C1)(C)F 270004a_100000696199_100000210432 [0,0,0,1,0,0|3,0,0]=4 985 B10R1.371 CC(C)CN1CC(C1)(C)O 2230a_100000718560_100000210760 [0,0,0,1,0,0|3,0,0]=4 986 B10R1.371 CC(C)CN1CC(C1)(C)O 269982a_100000718560_100000210624 [0,0,0,1,0,0|3,0,0]=4 987 B10R1.371 CC(C)CN1CC(C1)(C)O 270004a_100000718560_100000210432 [0,0,0,1,0,0|3,0,0]=4 988 B10R1.371 CC(O)CN1CC(C1)(C)C 2230a_100000753659_100011218427 [0,0,0,1,0,0|3,0,0]=4 989 B10R1.371 CC(O)CN1CC(C1)(C)C 269982a_100000753659_100011218427 [0,0,0,1,0,0|3,0,0]=4 990 B10R1.371 C[C@@H](O)CN1CC(C1)(C)C 2230a_100000753659_100009817552 [0,0,0,1,0,0|3,0,0]=4 991 B10R1.371 C[C@@H](O)CN1CC(C1)(C)C 269982a_100000753659_100009817552 [0,0,0,1,0,0|3,0,0]=4 992 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,0,0,0,1,0|0,0,2]=3 993 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,0,0,0,1,0|1,0,2]=4 994 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,0,0,0,1,0|1,0,2]=4 995 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,0,0,0,1,0|1,0,2]=4 996 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,0,0,0,1,0|0,0,2]=3 997 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,0,0,0,1,0|1,0,2]=4 998 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,0,0,0,1,0|1,0,2]=4 999 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,0,0,0,1,0|1,0,2]=4 1000 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,0,0,0,1,0|1,0,2]=4 1001 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,0,0,0,1,0|0,0,2]=3 1002 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,0,0,0,1,0|1,0,2]=4 1003 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,0,0,0,1,0|1,0,2]=4 1004 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,0,0,0,1,0|1,0,2]=4 1005 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,0,0,0,1,0|1,0,2]=4 1006 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,0,0,0,1,0|1,0,2]=4 1007 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,0,0,0,1,0|2,0,1]=4 1008 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,0,0,0,1,0|2,0,1]=4 1009 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,0,0,0,1,0|1,0,1]=3 1010 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,0,0,0,1,0|2,0,1]=4 1011 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,0,0,0,1,0|2,0,1]=4 1012 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,0,0,0,1,0|2,0,1]=4 1013 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,0,0,0,1,0|2,0,1]=4 1014 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [0,0,0,0,1,0|2,0,0]=3 1015 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,0,0,0,1,0|1,0,0]=2 1016 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,0,0,0,1,0|1,0,0]=2 1017 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,0,0,0,1,0|1,0,0]=2 1018 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,0,0,0,1,0|1,0,0]=2 1019 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [0,0,0,0,1,0|3,0,0]=4 1020 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,0,0,0,1,0|1,0,0]=2 1021 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,0,0,0,1,0|0,0,0]=1 1022 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,0,0,0,1,0|0,0,0]=1 1023 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,0,0,0,1,0|1,0,0]=2 1024 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,0,0,0,1,0|2,0,0]=3 1025 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,0,0,0,1,0|1,0,0]=2 1026 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,0,0,0,1,0|1,0,0]=2 1027 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,0,0,0,1,0|1,0,0]=2 1028 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,0,0,0,1,0|1,0,0]=2 1029 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,0,0,0,1,0|1,0,0]=2 1030 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,0,0,0,1,0|1,0,0]=2 1031 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,0,0,0,1,0|2,0,1]=4 1032 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,0,0,0,1,0|2,0,1]=4 1033 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,0,0,0,1,0|2,0,1]=4 1034 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,0,0,0,1,0|2,0,1]=4 1035 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,0,0,0,1,0|2,0,1]=4 1036 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,0,0,0,1,0|2,0,1]=4 1037 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000737641_200000210301 [0,0,0,0,1,0|2,0,0]=3 1038 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000747067_100000210206 [0,0,0,0,1,0|2,0,0]=3 1039 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000737641_200000210301 [0,0,0,0,1,0|2,0,0]=3 1040 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000747067_100000210206 [0,0,0,0,1,0|2,0,0]=3 1041 B8R0.23 CC(C)CN(C)C(C)C 269982a_200000211004_100000210624 [0,0,0,0,1,0|2,0,0]=3 1042 B8R0.23 CC(C)CN(C)C(C)C 270004a_200000211004_100000210432 [0,0,0,0,1,0|2,0,0]=3 1043 B8R0.23 CC(C)CN([13CH3])C(C)C 2230a_100000737641_200025704644 [0,0,0,0,1,0|2,0,0]=3 1044 B8R0.23 CC(C)CN([13CH3])C(C)C 269982a_100000737641_200025704644 [0,0,0,0,1,0|2,0,0]=3 1045 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,0,0,0,1,0|3,0,0]=4 1046 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,0,0,0,1,0|2,0,1]=4 1047 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,0,0,0,1,0|1,0,0]=2 1048 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,0,0,0,1,0|1,0,0]=2 1049 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,0,0,0,1,0|1,0,0]=2 1050 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,0,0,0,1,0|1,0,0]=2 1051 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,0,0,0,1,0|2,0,0]=3 1052 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,0,0,0,1,0|2,0,0]=3 1053 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,0,0,0,1,0|2,0,0]=3 1054 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,0,0,0,1,0|2,0,0]=3 1055 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [0,0,0,0,1,0|3,0,0]=4 1056 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [0,0,0,0,1,0|3,0,0]=4 1057 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [0,0,0,0,1,0|3,0,0]=4 1058 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [0,0,0,0,1,0|3,0,0]=4 1059 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,0,0,0,1,0|3,0,0]=4 1060 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,0,0,0,1,0|2,0,0]=3 1061 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,0,0,0,1,0|2,0,0]=3 1062 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,0,0,0,1,0|2,0,0]=3 1063 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,0,0,0,1,0|2,0,0]=3 1064 B8R0.23 CC(C)NC(C)C(C)C 2230a_100000211541_100000210206 [0,0,0,0,1,0|2,0,1]=4 1065 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,0,0,0,1,0|2,0,1]=4 1066 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [0,0,0,0,1,0|3,0,0]=4 1067 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,0,0,0,1,0|1,0,0]=2 1068 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,0,0,0,1,0|2,0,0]=3 1069 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,0,0,0,1,0|3,0,0]=4 1070 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,0,0,0,1,0|2,0,0]=3 1071 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,0,0,0,1,0|2,0,0]=3 1072 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,0,0,0,1,0|3,0,0]=4 1073 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,0,0,0,1,0|3,0,0]=4 1074 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,0,0,0,1,0|3,0,0]=4 1075 B8R0.23 CN(C)C(=O)C[S+](C)C 11a_100102631434_200159257847 [0,0,0,0,1,0|2,0,0]=3 1076 B8R0.23 CN(C)C(=O)C[S+](C)C 1626a_100102631434_200159257847 [0,0,0,0,1,0|2,0,0]=3 1077 B8R0.23 CN(C)C(=O)C[S+](C)C 240690a_100102631434_200159257847 [0,0,0,0,1,0|2,0,0]=3 1078 B8R0.23 CN(C)C(=O)C[S+](C)C 527a_100102631434_200159257847 [0,0,0,0,1,0|2,0,0]=3 1079 B8R0.23 CN(C)CC(=O)N(C)C 11a_100102631434_100000750896 [0,0,0,0,1,0|2,0,0]=3 1080 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100000185065_200000210301 [0,0,0,0,1,0|2,0,0]=3 1081 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100102631434_100000185267 [0,0,0,0,1,0|2,0,0]=3 1082 B8R0.23 CN(C)CC(=O)N(C)C 240690a_100102631434_100000750896 [0,0,0,0,1,0|2,0,0]=3 1083 B8R0.23 CN(C)CC(=O)N(C)C 269982a_100102631434_100000185267 [0,0,0,0,1,0|2,0,0]=3 1084 B8R0.23 CN(C)CC(=O)N(C)C 527a_100102631434_100000750896 [0,0,0,0,1,0|2,0,0]=3 1085 B8R0.23 CN([13CH3])CC(=O)N(C)C 2230a_100000185065_200025704644 [0,0,0,0,1,0|2,0,0]=3 1086 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [0,0,0,0,1,0|3,0,0]=4 1087 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,0,0,0,1,0|2,0,0]=3 1088 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [0,0,0,0,1,0|3,0,0]=4 1089 B10R0.96 C=C(C)CC(=O)C=CC(C)C 1458a_100016268746_100000748629 [0,0,0,0,0,1|0,0,3]=4 1090 B10R0.96 C=C(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748629 [0,0,0,0,0,1|0,0,3]=4 1091 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,0,0,0,0,1|0,0,2]=3 1092 B10R0.96 C=C(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748629 [0,0,0,0,0,1|1,0,2]=4 1093 B10R0.96 C=C(C)CC(=O)COC(C)C 1458a_100000745533_100000748629 [0,0,0,0,0,1|0,0,2]=3 1094 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,0,0,0,0,1|0,0,2]=3 1095 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,0,0,0,0,1|0,0,2]=3 1096 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,0,0,0,0,1|0,0,2]=3 1097 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,0,0,0,0,1|1,0,2]=4 1098 B10R0.96 C=C(C)CCC(=O)CN(C)C 1458a_100000750896_100000730704 [0,0,0,0,0,1|1,0,2]=4 1099 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,0,0,0,0,1|1,0,2]=4 1100 B10R0.96 C=C(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000730704 [0,0,0,0,0,1|1,0,2]=4 1101 B10R0.96 C=C(C)CCC(=O)NC(C)C 11a_100138425928_200000688413 [0,0,0,0,0,1|1,0,2]=4 1102 B10R0.96 C=C(C)CCC(=O)NC(C)C 1626a_100138425928_200000688413 [0,0,0,0,0,1|1,0,2]=4 1103 B10R0.96 C=C(C)CCC(=O)NC(C)C 240690a_100138425928_200000688413 [0,0,0,0,0,1|1,0,2]=4 1104 B10R0.96 C=C(C)CCC(=O)NC(C)C 527a_100138425928_200000688413 [0,0,0,0,0,1|1,0,2]=4 1105 B10R0.96 C=C(C)CNC(=O)CC(C)C 11a_100000765925_100000210554 [0,0,0,0,0,1|0,0,2]=3 1106 B10R0.96 C=C(C)CNC(=O)CC(C)C 1626a_100000765925_100000210554 [0,0,0,0,0,1|0,0,2]=3 1107 B10R0.96 C=C(C)CNC(=O)CC(C)C 240690a_100000765925_100000210554 [0,0,0,0,0,1|0,0,2]=3 1108 B10R0.96 C=C(C)CNC(=O)CC(C)C 527a_100000765925_100000210554 [0,0,0,0,0,1|0,0,2]=3 1109 B10R0.96 C=C(C)CNC(=O)CN(C)C 11a_100000765925_100000750896 [0,0,0,0,0,1|1,0,2]=4 1110 B10R0.96 C=C(C)CNC(=O)CN(C)C 240690a_100000765925_100000750896 [0,0,0,0,0,1|1,0,2]=4 1111 B10R0.96 C=C(C)CNC(=O)CN(C)C 527a_100000765925_100000750896 [0,0,0,0,0,1|1,0,2]=4 1112 B10R0.96 C=C(C)CNC(=O)C[C@@H](C)O 240690a_100000765925_100011933948 [0,0,0,0,0,1|1,0,2]=4 1113 B10R0.96 C=C(C)CNC(=O)C[S+](C)C 11a_100000765925_200159257847 [0,0,0,0,0,1|1,0,2]=4 1114 B10R0.96 C=C(C)CNC(=O)C[S+](C)C 1626a_100000765925_200159257847 [0,0,0,0,0,1|1,0,2]=4 1115 B10R0.96 C=C(C)CNC(=O)C[S+](C)C 240690a_100000765925_200159257847 [0,0,0,0,0,1|1,0,2]=4 1116 B10R0.96 C=C(C)CNC(=O)C[S+](C)C 527a_100000765925_200159257847 [0,0,0,0,0,1|1,0,2]=4 1117 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100000765925_100138425928 [0,0,0,0,0,1|1,0,2]=4 1118 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100138425928_100000765925 [0,0,0,0,0,1|1,0,2]=4 1119 B10R0.96 C=C(C)CNC(=O)NC(C)C 273464a_100138425928_100000765925 [0,0,0,0,0,1|1,0,2]=4 1120 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100000765925_100138425928 [0,0,0,0,0,1|1,0,2]=4 1121 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100138425928_100000765925 [0,0,0,0,0,1|1,0,2]=4 1122 B10R0.96 C=C(F)CC(=O)CCC(C)C 1458a_100000181311_100009893438 [0,0,0,0,0,1|1,0,2]=4 1123 B10R0.96 C=C(F)CC(=O)COC(C)C 1458a_100000745533_100009893438 [0,0,0,0,0,1|1,0,2]=4 1124 B10R0.96 C=C(F)CC(=O)CSC(C)C 1458a_100000241585_100009893438 [0,0,0,0,0,1|1,0,2]=4 1125 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,0,0,0,0,1|0,0,2]=3 1126 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,0,0,0,0,1|1,0,2]=4 1127 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,0,0,0,0,1|1,0,2]=4 1128 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,0,0,0,0,1|1,0,2]=4 1129 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,0,0,0,0,1|0,0,2]=3 1130 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,0,0,0,0,1|0,0,2]=3 1131 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,0,0,0,0,1|0,0,2]=3 1132 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 11a_100000210953_200042562850 [0,0,0,0,0,1|1,0,2]=4 1133 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 1626a_100000210953_200042562850 [0,0,0,0,0,1|1,0,2]=4 1134 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 240690a_100000210953_200042562850 [0,0,0,0,0,1|1,0,2]=4 1135 B10R0.96 CC(=CC(=O)NCC(C)C)I 11a_100000210953_100025716642 [0,0,0,0,0,1|1,0,2]=4 1136 B10R0.96 CC(=CC(=O)NCC(C)C)I 1626a_100000210953_100025716642 [0,0,0,0,0,1|1,0,2]=4 1137 B10R0.96 CC(=CC(=O)NCC(C)O)C 11a_100000210904_100000211388 [0,0,0,0,0,1|1,0,2]=4 1138 B10R0.96 CC(=CC(=O)NCC(C)O)C 240690a_100000210904_100000211388 [0,0,0,0,0,1|1,0,2]=4 1139 B10R0.96 CC(=CC(=O)NNC(C)C)C 22a_100000741168_100000211388 [0,0,0,0,0,1|1,0,2]=4 1140 B10R0.96 CC(=CCC(=O)C=C(C)C)C 1458a_100000211388_100000761012 [0,0,0,0,0,1|0,0,3]=4 1141 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,0,0,0,0,1|0,0,1]=2 1142 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,0,0,0,0,1|0,0,1]=2 1143 B10R0.96 CC(=CCC(=O)CC(C)O)C 1458a_100011220947_100011218427 [0,0,0,0,0,1|1,0,1]=3 1144 B10R0.96 CC(=CCC(=O)CC(F)F)C 1458a_100011220947_100011934356 [0,0,0,0,0,1|2,0,1]=4 1145 B10R0.96 CC(=CCC(=O)CN(C)C)C 1458a_100000750896_100000761012 [0,0,0,0,0,1|1,0,1]=3 1146 B10R0.96 CC(=CCC(=O)C[C@@H](C)O)C 1458a_100011933948_100000761012 [0,0,0,0,0,1|1,0,1]=3 1147 B10R0.96 CC(=CCC(=O)C[S+](C)C)C 1458a_200159257847_100000761012 [0,0,0,0,0,1|1,0,1]=3 1148 B10R0.96 CC(=CCC(=O)NC(C)C)C 11a_100138425928_100011220947 [0,0,0,0,0,1|1,0,1]=3 1149 B10R0.96 CC(=CCC(=O)NC(C)C)C 1626a_100138425928_100011220947 [0,0,0,0,0,1|1,0,1]=3 1150 B10R0.96 CC(=CCC(=O)NC(C)C)C 240690a_100138425928_100011220947 [0,0,0,0,0,1|1,0,1]=3 1151 B10R0.96 CC(=CCC(=O)NC(C)C)C 527a_100138425928_100011220947 [0,0,0,0,0,1|1,0,1]=3 1152 B10R0.96 CC(=CCN(C)CC(C)C)C 2230a_100000747067_100000761012 [0,0,0,0,0,1|2,0,1]=4 1153 B10R0.96 CC(=CCN(C)CC(C)C)C 269982a_100000747067_100000761012 [0,0,0,0,0,1|2,0,1]=4 1154 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,0,0,0,0,1|1,0,1]=3 1155 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,0,0,0,0,1|2,0,1]=4 1156 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,0,0,0,0,1|2,0,1]=4 1157 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,0,0,0,0,1|1,0,1]=3 1158 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,0,0,0,0,1|2,0,1]=4 1159 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,0,0,0,0,1|2,0,1]=4 1160 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,0,0,0,0,1|1,0,1]=3 1161 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,0,0,0,0,1|2,0,1]=4 1162 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100000168517_100015343762 [0,0,0,0,0,1|2,0,1]=4 1163 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194580 [0,0,0,0,0,1|2,0,1]=4 1164 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100000168517_100015343762 [0,0,0,0,0,1|2,0,1]=4 1165 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194580 [0,0,0,0,0,1|2,0,1]=4 1166 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100000168517_100015343762 [0,0,0,0,0,1|2,0,1]=4 1167 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194580 [0,0,0,0,0,1|2,0,1]=4 1168 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100000168517_100103153847 [0,0,0,0,0,1|2,0,1]=4 1169 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194580 [0,0,0,0,0,1|2,0,1]=4 1170 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189765_100000210554 [0,0,0,0,0,1|2,0,1]=4 1171 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189787_100000070787 [0,0,0,0,0,1|2,0,1]=4 1172 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,0,0,0,0,1|1,0,1]=3 1173 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,0,0,0,0,1|2,0,1]=4 1174 B10R0.96 CC(=O)OCC(=O)CN(C)C 269982a_100102631434_100000036994 [0,0,0,0,0,1|2,0,1]=4 1175 B10R0.96 CC(=O)OCC(=O)NC(C)C 1626a_100138425928_100000183556 [0,0,0,0,0,1|2,0,1]=4 1176 B10R0.96 CC(=O)OCC(=O)NC(C)C 240690a_100138425928_100000183556 [0,0,0,0,0,1|2,0,1]=4 1177 B10R0.96 CC(=O)OCC(=O)NC(C)C 527a_100138425928_100000183556 [0,0,0,0,0,1|2,0,1]=4 1178 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,0,0,0,0,1|1,0,1]=3 1179 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,0,0,0,0,1|2,0,1]=4 1180 B10R0.96 CC(=O)SCC(=O)NC(C)C 11a_100138425928_100000049016 [0,0,0,0,0,1|2,0,1]=4 1181 B10R0.96 CC(=O)SCC(=O)NC(C)C 1626a_100138425928_100000049016 [0,0,0,0,0,1|2,0,1]=4 1182 B10R0.96 CC(=O)SCC(=O)NC(C)C 240690a_100138425928_100000049016 [0,0,0,0,0,1|2,0,1]=4 1183 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [0,0,0,0,0,1|0,0,1]=2 1184 B10R0.96 CC(C)C=CC(=O)CC(C)O 1458a_100016268746_100011218427 [0,0,0,0,0,1|1,0,1]=3 1185 B10R0.96 CC(C)C=CC(=O)CC(F)F 1458a_100016268746_100011934356 [0,0,0,0,0,1|2,0,1]=4 1186 B10R0.96 CC(C)C=CC(=O)NC(C)C 11a_100138425928_100016268746 [0,0,0,0,0,1|1,0,1]=3 1187 B10R0.96 CC(C)C=CC(=O)NC(C)C 1626a_100138425928_100016268746 [0,0,0,0,0,1|1,0,1]=3 1188 B10R0.96 CC(C)C=CC(=O)NC(C)C 240690a_100138425928_100016268746 [0,0,0,0,0,1|1,0,1]=3 1189 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,0,0,0,0,1|2,0,1]=4 1190 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,0,0,0,0,1|1,0,0]=2 1191 B10R0.96 CC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210624 [0,0,0,0,0,1|3,0,0]=4 1192 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,0,0,0,0,1|1,0,0]=2 1193 B10R0.96 CC(C)CC(=O)CNC(=O)N 1458a_100000184981_100000210624 [0,0,0,0,0,1|2,0,1]=4 1194 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,0,0,0,0,1|0,0,0]=1 1195 B10R0.96 CC(C)CC(=O)COC(F)F 1458a_200000719455_100000210624 [0,0,0,0,0,1|2,0,0]=3 1196 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,0,0,0,0,1|0,0,0]=1 1197 B10R0.96 CC(C)CC(=O)CSC(F)F 1458a_114828291038_100000210624 [0,0,0,0,0,1|2,0,0]=3 1198 B10R0.96 CC(C)CC(=O)NCC(=O)N 11a_100000711301_100000210554 [0,0,0,0,0,1|2,0,1]=4 1199 B10R0.96 CC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000210554 [0,0,0,0,0,1|2,0,1]=4 1200 B10R0.96 CC(C)CC(=O)NCC(=O)N 527a_100000711301_100000210554 [0,0,0,0,0,1|2,0,1]=4 1201 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,0,0,0,0,1|1,0,1]=3 1202 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,0,0,0,0,1|1,0,0]=2 1203 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,0,0,0,0,1|1,0,0]=2 1204 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,0,0,0,0,1|1,0,0]=2 1205 B10R0.96 CC(C)CC(=O)NCC(F)F 11a_100000765723_100000210554 [0,0,0,0,0,1|2,0,0]=3 1206 B10R0.96 CC(C)CC(=O)NCC(F)F 1626a_100000765723_100000210554 [0,0,0,0,0,1|2,0,0]=3 1207 B10R0.96 CC(C)CC(=O)NCC(F)F 240690a_100000765723_100000210554 [0,0,0,0,0,1|2,0,0]=3 1208 B10R0.96 CC(C)CC(=O)NCC(F)F 527a_100000765723_100000210554 [0,0,0,0,0,1|2,0,0]=3 1209 B10R0.96 CC(C)CC(=O)NNC(C)C 22a_100000741168_100000210554 [0,0,0,0,0,1|1,0,0]=2 1210 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000210904_100000731052 [0,0,0,0,0,1|2,0,1]=4 1211 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000692259_100011218427 [0,0,0,0,0,1|2,0,1]=4 1212 B10R0.96 CC(C)CC(C)NCC(C)O 34a_100000210904_100000731052 [0,0,0,0,0,1|2,0,1]=4 1213 B10R0.96 CC(C)CC(C)NC[C@@H](C)O 2230a_100000692259_100009817552 [0,0,0,0,0,1|2,0,1]=4 1214 B10R0.96 CC(C)CC(C)OCC(C)Br 34a_100012180447_100000731052 [0,0,0,0,0,1|2,0,1]=4 1215 B10R0.96 CC(C)CC(C)OCC(C)F 34a_100015925927_100000731052 [0,0,0,0,0,1|2,0,1]=4 1216 B10R0.96 CC(C)CC(C)OCC(C)O 34a_100000211805_100011218427 [0,0,0,0,0,1|2,0,1]=4 1217 B10R0.96 CC(C)CC(C)OCC(C)O 7a_100000211805_100011218427 [0,0,0,0,0,1|2,0,1]=4 1218 B10R0.96 CC(C)CC(C)OC[C@@H](C)Cl 34a_100016084084_100000731052 [0,0,0,0,0,1|2,0,1]=4 1219 B10R0.96 CC(C)CC(C)OC[C@@H](C)N 34a_100000737577_100000731052 [0,0,0,0,0,1|2,0,1]=4 1220 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 34a_100000211805_100009817552 [0,0,0,0,0,1|2,0,1]=4 1221 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 7a_100000211805_100009817552 [0,0,0,0,0,1|2,0,1]=4 1222 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100000731052_100011218427 [0,0,0,0,0,1|2,0,1]=4 1223 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100011218427_100000731052 [0,0,0,0,0,1|2,0,1]=4 1224 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100000731052_100009817552 [0,0,0,0,0,1|2,0,1]=4 1225 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100009817552_100000731052 [0,0,0,0,0,1|2,0,1]=4 1226 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,0,0,0,0,1|2,0,1]=4 1227 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,0,0,0,0,1|2,0,1]=4 1228 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,0,0,0,0,1|2,0,1]=4 1229 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,0,0,0,0,1|0,0,0]=1 1230 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,0,0,0,0,1|0,0,0]=1 1231 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,0,0,0,0,1|1,0,0]=2 1232 B10R0.96 CC(C)CCC(=O)CC(F)F 1458a_100000181311_100011934356 [0,0,0,0,0,1|2,0,0]=3 1233 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,0,0,0,0,1|1,0,0]=2 1234 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,0,0,0,0,1|1,0,0]=2 1235 B10R0.96 CC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000181311_100000761209 [0,0,0,0,0,1|3,0,0]=4 1236 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,0,0,0,0,1|1,0,0]=2 1237 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,0,0,0,0,1|1,0,0]=2 1238 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,0,0,0,0,1|1,0,0]=2 1239 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,0,0,0,0,1|1,0,0]=2 1240 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,0,0,0,0,1|1,0,0]=2 1241 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138410893_100000210206 [0,0,0,0,0,1|2,0,1]=4 1242 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138425928_100011261404 [0,0,0,0,0,1|2,0,1]=4 1243 B10R0.96 CC(C)CCC(C)NC(C)C 34a_100138425928_100011261404 [0,0,0,0,0,1|2,0,1]=4 1244 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100000212225_100011261404 [0,0,0,0,0,1|2,0,1]=4 1245 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100011215350_100000210206 [0,0,0,0,0,1|2,0,1]=4 1246 B10R0.96 CC(C)CCC(C)OC(C)C 7a_100011215350_100000210206 [0,0,0,0,0,1|2,0,1]=4 1247 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100000210206_100011261404 [0,0,0,0,0,1|2,0,1]=4 1248 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100011261404_100000210206 [0,0,0,0,0,1|2,0,1]=4 1249 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000742789_100000210760 [0,0,0,0,0,1|2,0,0]=3 1250 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000747067_100000210312 [0,0,0,0,0,1|2,0,0]=3 1251 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000742789_100000210624 [0,0,0,0,0,1|2,0,0]=3 1252 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000747067_100000210312 [0,0,0,0,0,1|2,0,0]=3 1253 B10R0.96 CC(C)CCN(C)CC(C)C 270004a_100000742789_100000210432 [0,0,0,0,0,1|2,0,0]=3 1254 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000227577_100000210312 [0,0,0,0,0,1|3,0,0]=4 1255 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000742789_100011218427 [0,0,0,0,0,1|3,0,0]=4 1256 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000227577_100000210312 [0,0,0,0,0,1|3,0,0]=4 1257 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000742789_100011218427 [0,0,0,0,0,1|3,0,0]=4 1258 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 2230a_100000742789_100009817552 [0,0,0,0,0,1|3,0,0]=4 1259 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 269982a_100000742789_100009817552 [0,0,0,0,0,1|3,0,0]=4 1260 B10R0.96 CC(C)CN(C)CCC(C)O 2230a_100000747067_100012276601 [0,0,0,0,0,1|3,0,0]=4 1261 B10R0.96 CC(C)CN(C)CCC(C)O 269982a_100000747067_100012276601 [0,0,0,0,0,1|3,0,0]=4 1262 B10R0.96 CC(C)CN(C)CCN(C)C 269982a_100000225618_100000210624 [0,0,0,0,0,1|3,0,0]=4 1263 B10R0.96 CC(C)CN(C)CCN(C)C 269982a_100000747067_100000755713 [0,0,0,0,0,1|3,0,0]=4 1264 B10R0.96 CC(C)CN(C)CCN(C)C 270004a_100000225618_100000210432 [0,0,0,0,0,1|3,0,0]=4 1265 B10R0.96 CC(C)CN(C)COC(C)C 2230a_100000747067_100000709892 [0,0,0,0,0,1|2,0,0]=3 1266 B10R0.96 CC(C)CN(C)COC(C)C 269982a_100000747067_100000709892 [0,0,0,0,0,1|2,0,0]=3 1267 B10R0.96 CC(C)CNC(=O)CC(=O)N 240690a_100000210953_100134613110 [0,0,0,0,0,1|2,0,1]=4 1268 B10R0.96 CC(C)CNC(=O)CC(=O)N 527a_100000210953_100134613110 [0,0,0,0,0,1|2,0,1]=4 1269 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,0,0,0,0,1|0,0,0]=1 1270 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,0,0,0,0,1|0,0,0]=1 1271 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,0,0,0,0,1|0,0,0]=1 1272 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,0,0,0,0,1|0,0,0]=1 1273 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [0,0,0,0,0,1|1,0,0]=2 1274 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [0,0,0,0,0,1|1,0,0]=2 1275 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [0,0,0,0,0,1|1,0,0]=2 1276 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [0,0,0,0,0,1|1,0,0]=2 1277 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [0,0,0,0,0,1|1,0,0]=2 1278 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,0,0,0,0,1|1,0,0]=2 1279 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [0,0,0,0,0,1|1,0,0]=2 1280 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [0,0,0,0,0,1|1,0,0]=2 1281 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [0,0,0,0,0,1|1,0,0]=2 1282 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [0,0,0,0,0,1|1,0,0]=2 1283 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,0,0,0,0,1|1,0,0]=2 1284 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,0,0,0,0,1|1,0,0]=2 1285 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,0,0,0,0,1|1,0,0]=2 1286 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,0,0,0,0,1|1,0,0]=2 1287 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,0,0,0,0,1|1,0,0]=2 1288 B10R0.96 CC(C)CNC(C)CC(C)C 2230a_100000210953_100000731052 [0,0,0,0,0,1|1,0,1]=3 1289 B10R0.96 CC(C)CNC(C)CC(C)C 2230a_100000692259_100000210760 [0,0,0,0,0,1|1,0,1]=3 1290 B10R0.96 CC(C)CNC(C)CC(C)C 270004a_100000692259_100000210432 [0,0,0,0,0,1|1,0,1]=3 1291 B10R0.96 CC(C)CNC(C)CC(C)C 34a_100000210953_100000731052 [0,0,0,0,0,1|1,0,1]=3 1292 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000210257_100000731052 [0,0,0,0,0,1|1,0,1]=3 1293 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000211805_100000210624 [0,0,0,0,0,1|1,0,1]=3 1294 B10R0.96 CC(C)COC(C)CC(C)C 7a_100000211805_100000210760 [0,0,0,0,0,1|1,0,1]=3 1295 B10R0.96 CC(C)CSC(C)CC(C)C 62a_100000210624_100000731052 [0,0,0,0,0,1|1,0,1]=3 1296 B10R0.96 CC(C)CSC(C)CC(C)C 62a_100000731052_100000210760 [0,0,0,0,0,1|1,0,1]=3 1297 B10R0.96 CC(C)CSC(C)CN(C)C 62a_100000210624_100020606517 [0,0,0,0,0,1|2,0,1]=4 1298 B10R0.96 CC(C)CSC(C)CN(C)C 62a_100020606517_100000210760 [0,0,0,0,0,1|2,0,1]=4 1299 B10R0.96 CC(C)C[C@H](N)COC(C)C 34a_100011830311_100000210206 [0,0,0,0,0,1|1,0,1]=3 1300 B10R0.96 CC(C)NC(=O)CCN(C)C 11a_100138425928_100000689311 [0,0,0,0,0,1|2,0,0]=3 1301 B10R0.96 CC(C)NC(=O)CCN(C)C 2230a_100102631434_100000737564 [0,0,0,0,0,1|2,0,0]=3 1302 B10R0.96 CC(C)NC(=O)CCN(C)C 240690a_100138425928_100000689311 [0,0,0,0,0,1|2,0,0]=3 1303 B10R0.96 CC(C)NC(=O)CCN(C)C 269982a_100102631434_100000737564 [0,0,0,0,0,1|2,0,0]=3 1304 B10R0.96 CC(C)NC(=O)CCN(C)C 527a_100138425928_100000689311 [0,0,0,0,0,1|2,0,0]=3 1305 B10R0.96 CC(C)NC(=O)CC[S+](C)C 11a_100138425928_100009452791 [0,0,0,0,0,1|2,0,0]=3 1306 B10R0.96 CC(C)NC(=O)CC[S+](C)C 1626a_100138425928_100009452791 [0,0,0,0,0,1|2,0,0]=3 1307 B10R0.96 CC(C)NC(=O)CC[S+](C)C 240690a_100138425928_100009452791 [0,0,0,0,0,1|2,0,0]=3 1308 B10R0.96 CC(C)NC(=O)COC(C)C 11a_100138425928_100000745533 [0,0,0,0,0,1|1,0,0]=2 1309 B10R0.96 CC(C)NC(=O)COC(C)C 1626a_100138425928_100000745533 [0,0,0,0,0,1|1,0,0]=2 1310 B10R0.96 CC(C)NC(=O)COC(C)C 240690a_100138425928_100000745533 [0,0,0,0,0,1|1,0,0]=2 1311 B10R0.96 CC(C)NC(=O)COC(C)C 34a_100000212225_100000183996 [0,0,0,0,0,1|1,0,0]=2 1312 B10R0.96 CC(C)NC(=O)COC(C)C 527a_100138425928_100000745533 [0,0,0,0,0,1|1,0,0]=2 1313 B10R0.96 CC(C)NC(=O)COC(F)F 11a_100138425928_200000719455 [0,0,0,0,0,1|3,0,0]=4 1314 B10R0.96 CC(C)NC(=O)COC(F)F 1626a_100138425928_200000719455 [0,0,0,0,0,1|3,0,0]=4 1315 B10R0.96 CC(C)NC(=O)COC(F)F 240690a_100138425928_200000719455 [0,0,0,0,0,1|3,0,0]=4 1316 B10R0.96 CC(C)NC(=O)COC(F)F 527a_100138425928_200000719455 [0,0,0,0,0,1|3,0,0]=4 1317 B10R0.96 CC(C)NC(=O)CSC(C)C 11a_100138425928_100000241585 [0,0,0,0,0,1|1,0,0]=2 1318 B10R0.96 CC(C)NC(=O)CSC(C)C 1626a_100138425928_100000241585 [0,0,0,0,0,1|1,0,0]=2 1319 B10R0.96 CC(C)NC(=O)CSC(C)C 240690a_100138425928_100000241585 [0,0,0,0,0,1|1,0,0]=2 1320 B10R0.96 CC(C)NC(=O)CSC(C)C 527a_100138425928_100000241585 [0,0,0,0,0,1|1,0,0]=2 1321 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000183996_100000210206 [0,0,0,0,0,1|1,0,0]=2 1322 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000210206_100000183996 [0,0,0,0,0,1|1,0,0]=2 1323 B10R0.96 CC(C)NC(=O)CSC(F)F 11a_100138425928_114828291038 [0,0,0,0,0,1|3,0,0]=4 1324 B10R0.96 CC(C)NC(=O)CSC(F)F 1626a_100138425928_114828291038 [0,0,0,0,0,1|3,0,0]=4 1325 B10R0.96 CC(C)NC(=O)CSC(F)F 240690a_100138425928_114828291038 [0,0,0,0,0,1|3,0,0]=4 1326 B10R0.96 CC(C)NC(=O)CSC(F)F 527a_100138425928_114828291038 [0,0,0,0,0,1|3,0,0]=4 1327 B10R0.96 CC(C)NC(=O)NCC(F)F 2708a_100138425928_100000765723 [0,0,0,0,0,1|3,0,0]=4 1328 B10R0.96 CC(C)NC(=O)NCC(F)F 273464a_100138425928_100000765723 [0,0,0,0,0,1|3,0,0]=4 1329 B10R0.96 CC(C)NC(=O)NCC(F)F 512a_100000765723_100138425928 [0,0,0,0,0,1|3,0,0]=4 1330 B10R0.96 CC(C)NC(=O)NCC(F)F 512a_100138425928_100000765723 [0,0,0,0,0,1|3,0,0]=4 1331 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100000168517_100000210206 [0,0,0,0,0,1|1,0,0]=2 1332 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100138425928_100000183996 [0,0,0,0,0,1|1,0,0]=2 1333 B10R0.96 CC(C)NCC(=O)NC(C)C 34a_100138425928_100000183996 [0,0,0,0,0,1|1,0,0]=2 1334 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,0,0,0,0,1|1,0,0]=2 1335 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,0,0,0,0,1|1,0,0]=2 1336 B10R0.96 CC(C)NNC(=O)CN(C)C 22a_100000741168_100000750896 [0,0,0,0,0,1|2,0,0]=3 1337 B10R0.96 CC(C)NNC(=O)C[C@@H](C)O 22a_100000741168_100011933948 [0,0,0,0,0,1|2,0,0]=3 1338 B10R0.96 CC(C)NNC(=O)C[S+](C)C 22a_100000741168_200159257847 [0,0,0,0,0,1|2,0,0]=3 1339 B10R0.96 CC(C)NNC(=O)NC(C)C 273464a_100138425928_100000741168 [0,0,0,0,0,1|2,0,0]=3 1340 B10R0.96 CC(C)NNC(=O)NC(C)C 512a_100000741168_100138425928 [0,0,0,0,0,1|2,0,0]=3 1341 B10R0.96 CC(C)NNC(=O)NC(C)C 512a_100138425928_100000741168 [0,0,0,0,0,1|2,0,0]=3 1342 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,0,0,0,0,1|2,0,0]=3 1343 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,0,0,0,0,1|2,0,0]=3 1344 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,0,0,0,0,1|1,0,0]=2 1345 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,0,0,0,0,1|1,0,0]=2 1346 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,0,0,0,0,1|2,0,0]=3 1347 B10R0.96 CC(C)OCC(=O)CC(=O)N 1458a_100000745533_100000187820 [0,0,0,0,0,1|2,0,1]=4 1348 B10R0.96 CC(C)OCC(=O)CC(=O)[O-] 1458a_100000745533_100020667443 [0,0,0,0,0,1|2,0,1]=4 1349 B10R0.96 CC(C)OCC(=O)CC(F)F 1458a_100000745533_100011934356 [0,0,0,0,0,1|2,0,0]=3 1350 B10R0.96 CC(C)OCC(=O)C[N+](=O)[O-] 1458a_100000745533_100000761209 [0,0,0,0,0,1|3,0,0]=4 1351 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,0,0,0,0,1|1,0,0]=2 1352 B10R0.96 CC(C)SCC(=O)CC(=O)N 1458a_100000241585_100000187820 [0,0,0,0,0,1|2,0,1]=4 1353 B10R0.96 CC(C)SCC(=O)CC(=O)[O-] 1458a_100000241585_100020667443 [0,0,0,0,0,1|2,0,1]=4 1354 B10R0.96 CC(C)SCC(=O)CC(F)F 1458a_100000241585_100011934356 [0,0,0,0,0,1|2,0,0]=3 1355 B10R0.96 CC(C)SCC(=O)C[N+](=O)[O-] 1458a_100000241585_100000761209 [0,0,0,0,0,1|3,0,0]=4 1356 B10R0.96 CC(CNC(C)C)CN(C)C 2230a_100138425928_100015348159 [0,0,0,0,0,1|2,0,1]=4 1357 B10R0.96 CC(CSC(C)C)CN(C)C 62a_100000210206_100015348159 [0,0,0,0,0,1|2,0,1]=4 1358 B10R0.96 CC(CSC(C)C)CN(C)C 62a_100015348159_100000210206 [0,0,0,0,0,1|2,0,1]=4 1359 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,0,0,0,0,1|2,0,0]=3 1360 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,0,0,0,0,1|1,0,0]=2 1361 B10R0.96 CC(O)CC(=O)COC(F)F 1458a_200000719455_100011218427 [0,0,0,0,0,1|3,0,0]=4 1362 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,0,0,0,0,1|1,0,0]=2 1363 B10R0.96 CC(O)CC(=O)CSC(F)F 1458a_114828291038_100011218427 [0,0,0,0,0,1|3,0,0]=4 1364 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,0,0,0,0,1|2,0,0]=3 1365 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,0,0,0,0,1|2,0,0]=3 1366 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,0,0,0,0,1|2,0,0]=3 1367 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,0,0,0,0,1|2,0,0]=3 1368 B10R0.96 CC(O)CN(C)COC(C)C 2230a_100000227577_100000709892 [0,0,0,0,0,1|3,0,0]=4 1369 B10R0.96 CC(O)CN(C)COC(C)C 269982a_100000227577_100000709892 [0,0,0,0,0,1|3,0,0]=4 1370 B10R0.96 CC(O)CNC(=O)CN(C)C 11a_100000210904_100000750896 [0,0,0,0,0,1|2,0,0]=3 1371 B10R0.96 CC(O)CNC(=O)CN(C)C 240690a_100000210904_100000750896 [0,0,0,0,0,1|2,0,0]=3 1372 B10R0.96 CC(O)CNC(=O)CN(C)C 527a_100000210904_100000750896 [0,0,0,0,0,1|2,0,0]=3 1373 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,0,0,0,0,1|2,0,0]=3 1374 B10R0.96 CC(O)CNC(=O)C[S+](C)C 11a_100000210904_200159257847 [0,0,0,0,0,1|2,0,0]=3 1375 B10R0.96 CC(O)CNC(=O)C[S+](C)C 240690a_100000210904_200159257847 [0,0,0,0,0,1|2,0,0]=3 1376 B10R0.96 CC(O)CNC(=O)C[S+](C)C 527a_100000210904_200159257847 [0,0,0,0,0,1|2,0,0]=3 1377 B10R0.96 CC(O)CNC(=O)NC(C)C 2708a_100138425928_100000210904 [0,0,0,0,0,1|2,0,0]=3 1378 B10R0.96 CC(O)CNC(=O)NC(C)C 273464a_100138425928_100000210904 [0,0,0,0,0,1|2,0,0]=3 1379 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100000210904_100138425928 [0,0,0,0,0,1|2,0,0]=3 1380 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100138425928_100000210904 [0,0,0,0,0,1|2,0,0]=3 1381 B10R0.96 CN(C)CC(=O)NCC(F)F 11a_100000765723_100000750896 [0,0,0,0,0,1|3,0,0]=4 1382 B10R0.96 CN(C)CC(=O)NCC(F)F 240690a_100000765723_100000750896 [0,0,0,0,0,1|3,0,0]=4 1383 B10R0.96 CN(C)CC(=O)NCC(F)F 527a_100000765723_100000750896 [0,0,0,0,0,1|3,0,0]=4 1384 B10R0.96 C[C@@H](O)CC(=O)NCC(F)F 240690a_100000765723_100011933948 [0,0,0,0,0,1|3,0,0]=4 1385 B10R0.96 C[S+](C)CC(=O)NCC(F)F 11a_100000765723_200159257847 [0,0,0,0,0,1|3,0,0]=4 1386 B10R0.96 C[S+](C)CC(=O)NCC(F)F 1626a_100000765723_200159257847 [0,0,0,0,0,1|3,0,0]=4 1387 B10R0.96 C[S+](C)CC(=O)NCC(F)F 240690a_100000765723_200159257847 [0,0,0,0,0,1|3,0,0]=4 1388 B10R0.96 C[S+](C)CC(=O)NCC(F)F 527a_100000765723_200159257847 [0,0,0,0,0,1|3,0,0]=4 1389 B10R0.96 C[S+](C)CCC(=O)CC(F)F 1458a_100009452791_100011934356 [0,0,0,0,0,1|3,0,0]=4 1390 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [2,0,0,0,0,0|0,0,2]=4 1391 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [2,0,0,0,0,0|0,0,2]=4 1392 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [2,0,0,0,0,0|0,0,2]=4 1393 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [2,0,0,0,0,0|1,0,0]=3 1394 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [2,0,0,0,0,0|1,0,0]=3 1395 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [2,0,0,0,0,0|2,0,0]=4 1396 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [2,0,0,0,0,0|2,0,0]=4 1397 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [2,0,0,0,0,0|2,0,0]=4 1398 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [2,0,0,0,0,0|0,0,2]=4 1399 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [2,0,0,0,0,0|1,0,1]=4 1400 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [2,0,0,0,0,0|0,0,0]=2 1401 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [2,0,0,0,0,0|0,0,0]=2 1402 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [2,0,0,0,0,0|1,0,0]=3 1403 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [2,0,0,0,0,0|2,0,0]=4 1404 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [2,0,0,0,0,0|1,0,0]=3 1405 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [2,0,0,0,0,0|1,0,0]=3 1406 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [2,0,0,0,0,0|1,0,0]=3 1407 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [2,0,0,0,0,0|1,0,0]=3 1408 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [2,0,0,0,0,0|1,0,0]=3 1409 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [2,0,0,0,0,0|1,0,0]=3 1410 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [2,0,0,0,0,0|1,0,0]=3 1411 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [2,0,0,0,0,0|1,0,0]=3 1412 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [2,0,0,0,0,0|2,0,0]=4 1413 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [2,0,0,0,0,0|2,0,0]=4 1414 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [2,0,0,0,0,0|2,0,0]=4 1415 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [2,0,0,0,0,0|2,0,0]=4 1416 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [2,0,0,0,0,0|2,0,0]=4 1417 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [2,0,0,0,0,0|2,0,0]=4 1418 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [2,0,0,0,0,0|2,0,0]=4 1419 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [2,0,0,0,0,0|2,0,0]=4 1420 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [2,0,0,0,0,0|2,0,0]=4 1421 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [2,0,0,0,0,0|1,0,0]=3 1422 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [2,0,0,0,0,0|1,0,0]=3 1423 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [2,0,0,0,0,0|1,0,0]=3 1424 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [2,0,0,0,0,0|1,0,0]=3 1425 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [2,0,0,0,0,0|2,0,0]=4 1426 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [2,0,0,0,0,0|2,0,0]=4 1427 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [2,0,0,0,0,0|2,0,0]=4 1428 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [2,0,0,0,0,0|2,0,0]=4 1429 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [2,0,0,0,0,0|2,0,0]=4 1430 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [2,0,0,0,0,0|2,0,0]=4 1431 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [2,0,0,0,0,0|2,0,0]=4 1432 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [2,0,0,0,0,0|2,0,0]=4 1433 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [2,0,0,0,0,0|2,0,0]=4 1434 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [2,0,0,0,0,0|2,0,0]=4 1435 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [2,0,0,0,0,0|2,0,0]=4 1436 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [2,0,0,0,0,0|2,0,0]=4 1437 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [2,0,0,0,0,0|2,0,0]=4 1438 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [2,0,0,0,0,0|2,0,0]=4 1439 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [2,0,0,0,0,0|2,0,0]=4 1440 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [2,0,0,0,0,0|2,0,0]=4 1441 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [2,0,0,0,0,0|2,0,0]=4 1442 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [2,0,0,0,0,0|2,0,0]=4 1443 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [2,0,0,0,0,0|2,0,0]=4 1444 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [2,0,0,0,0,0|2,0,0]=4 1445 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [2,0,0,0,0,0|2,0,0]=4 1446 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [2,0,0,0,0,0|2,0,0]=4 1447 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [2,0,0,0,0,0|2,0,0]=4 1448 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [2,0,0,0,0,0|1,0,1]=4 1449 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [2,0,0,0,0,0|1,0,1]=4 1450 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [2,0,0,0,0,0|1,0,1]=4 1451 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [2,0,0,0,0,0|1,0,1]=4 1452 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [2,0,0,0,0,0|1,0,1]=4 1453 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [2,0,0,0,0,0|1,0,1]=4 1454 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [2,0,0,0,0,0|2,0,0]=4 1455 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [2,0,0,0,0,0|2,0,0]=4 1456 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [2,0,0,0,0,0|2,0,0]=4 1457 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [2,0,0,0,0,0|2,0,0]=4 1458 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [2,0,0,0,0,0|2,0,0]=4 1459 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [2,0,0,0,0,0|2,0,0]=4 1460 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [2,0,0,0,0,0|2,0,0]=4 1461 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [2,0,0,0,0,0|2,0,0]=4 1462 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [2,0,0,0,0,0|2,0,0]=4 1463 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [2,0,0,0,0,0|2,0,0]=4 1464 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [2,0,0,0,0,0|2,0,0]=4 1465 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [2,0,0,0,0,0|2,0,0]=4 1466 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [2,0,0,0,0,0|2,0,0]=4 1467 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [2,0,0,0,0,0|2,0,0]=4 1468 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [2,0,0,0,0,0|2,0,0]=4 1469 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [2,0,0,0,0,0|2,0,0]=4 1470 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [2,0,0,0,0,0|1,0,1]=4 1471 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [2,0,0,0,0,0|1,0,1]=4 1472 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 1473 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|1,0,1]=4 1474 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 1475 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|1,0,1]=4 1476 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 1477 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 1478 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|1,0,1]=4 1479 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|1,0,1]=4 1480 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|1,0,1]=4 1481 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|1,0,1]=4 1482 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 1483 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,1]=4 1484 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 1485 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|1,0,1]=4 1486 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|1,0,1]=4 1487 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [2,0,0,0,0,0|1,0,0]=3 1488 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [2,0,0,0,0,0|1,0,0]=3 1489 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [2,0,0,0,0,0|1,0,0]=3 1490 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [2,0,0,0,0,0|2,0,0]=4 1491 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [2,0,0,0,0,0|2,0,0]=4 1492 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [2,0,0,0,0,0|2,0,0]=4 1493 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [2,0,0,0,0,0|1,0,0]=3 1494 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [2,0,0,0,0,0|1,0,0]=3 1495 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [2,0,0,0,0,0|2,0,0]=4 1496 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [2,0,0,0,0,0|2,0,0]=4 1497 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [2,0,0,0,0,0|2,0,0]=4 1498 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [2,0,0,0,0,0|2,0,0]=4 1499 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [2,0,0,0,0,0|2,0,0]=4 1500 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [2,0,0,0,0,0|1,0,0]=3 1501 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [2,0,0,0,0,0|1,0,0]=3 1502 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [2,0,0,0,0,0|2,0,0]=4 1503 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [2,0,0,0,0,0|2,0,0]=4 1504 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [2,0,0,0,0,0|2,0,0]=4 1505 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [2,0,0,0,0,0|2,0,0]=4 1506 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [2,0,0,0,0,0|1,0,1]=4 1507 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [2,0,0,0,0,0|1,0,1]=4 1508 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 1509 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|1,0,1]=4 1510 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 1511 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [2,0,0,0,0,0|1,0,1]=4 1512 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [2,0,0,0,0,0|1,0,1]=4 1513 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [2,0,0,0,0,0|1,0,1]=4 1514 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [2,0,0,0,0,0|1,0,1]=4 1515 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [2,0,0,0,0,0|1,0,1]=4 1516 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [2,0,0,0,0,0|1,0,1]=4 1517 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [2,0,0,0,0,0|1,0,1]=4 1518 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [2,0,0,0,0,0|1,0,1]=4 1519 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [2,0,0,0,0,0|1,0,1]=4 1520 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [2,0,0,0,0,0|1,0,1]=4 1521 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [2,0,0,0,0,0|2,0,0]=4 1522 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [2,0,0,0,0,0|2,0,0]=4 1523 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [2,0,0,0,0,0|2,0,0]=4 1524 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [2,0,0,0,0,0|1,0,1]=4 1525 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [2,0,0,0,0,0|1,0,1]=4 1526 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [2,0,0,0,0,0|2,0,0]=4 1527 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [2,0,0,0,0,0|2,0,0]=4 1528 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [2,0,0,0,0,0|2,0,0]=4 1529 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [2,0,0,0,0,0|2,0,0]=4 1530 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [2,0,0,0,0,0|2,0,0]=4 1531 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [2,0,0,0,0,0|0,0,2]=4 1532 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [2,0,0,0,0,0|0,0,2]=4 1533 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [2,0,0,0,0,0|0,0,2]=4 1534 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [2,0,0,0,0,0|0,0,2]=4 1535 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|0,0,2]=4 1536 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|0,0,2]=4 1537 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [2,0,0,0,0,0|1,0,1]=4 1538 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [2,0,0,0,0,0|1,0,1]=4 1539 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|0,0,0]=2 1540 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|1,0,0]=3 1541 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|1,0,0]=3 1542 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|1,0,0]=3 1543 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|1,0,0]=3 1544 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|1,0,0]=3 1545 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|1,0,0]=3 1546 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|1,0,0]=3 1547 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|1,0,0]=3 1548 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|1,0,0]=3 1549 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|1,0,0]=3 1550 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|1,0,0]=3 1551 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1552 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1553 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1554 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 1555 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [2,0,0,0,0,0|2,0,0]=4 1556 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [2,0,0,0,0,0|2,0,0]=4 1557 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [2,0,0,0,0,0|2,0,0]=4 1558 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [2,0,0,0,0,0|2,0,0]=4 1559 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [2,0,0,0,0,0|2,0,0]=4 1560 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [2,0,0,0,0,0|2,0,0]=4 1561 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 1562 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 1563 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 1564 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 1565 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 1566 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 1567 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1568 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1569 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 1570 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1571 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1572 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1573 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1574 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 1575 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 1576 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 1577 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 1578 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1579 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1580 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1581 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|2,0,0]=4 1582 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|2,0,0]=4 1583 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|2,0,0]=4 1584 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|2,0,0]=4 1585 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|2,0,0]=4 1586 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|2,0,0]=4 1587 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|2,0,0]=4 1588 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|2,0,0]=4 1589 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [2,0,0,0,0,0|2,0,0]=4 1590 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [2,0,0,0,0,0|2,0,0]=4 1591 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [2,0,0,0,0,0|2,0,0]=4 1592 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [2,0,0,0,0,0|2,0,0]=4 1593 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [2,0,0,0,0,0|2,0,0]=4 1594 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [2,0,0,0,0,0|2,0,0]=4 1595 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [1,1,0,0,0,0|0,0,1]=3 1596 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [1,1,0,0,0,0|0,0,1]=3 1597 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [1,1,0,0,0,0|1,0,1]=4 1598 B9R0.4 C#CCCC(=O)CN(C)C 1458a_100000750896_100000753159 [1,1,0,0,0,0|1,0,1]=4 1599 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [1,1,0,0,0,0|1,0,1]=4 1600 B9R0.4 C#CCCC(=O)C[S+](C)C 1458a_200159257847_100000753159 [1,1,0,0,0,0|1,0,1]=4 1601 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [1,1,0,0,0,0|1,0,1]=4 1602 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [1,1,0,0,0,0|1,0,1]=4 1603 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [1,1,0,0,0,0|1,0,1]=4 1604 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [1,1,0,0,0,0|1,0,1]=4 1605 B9R0.4 C#CCNC(=O)CC(C)C 11a_100000212058_100000210554 [1,1,0,0,0,0|0,0,2]=4 1606 B9R0.4 C#CCNC(=O)CC(C)C 1626a_100000212058_100000210554 [1,1,0,0,0,0|0,0,2]=4 1607 B9R0.4 C#CCNC(=O)CC(C)C 240690a_100000212058_100000210554 [1,1,0,0,0,0|0,0,2]=4 1608 B9R0.4 C#CCNC(=O)CC(C)C 527a_100000212058_100000210554 [1,1,0,0,0,0|0,0,2]=4 1609 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [1,1,0,0,0,0|0,0,1]=3 1610 B9R0.4 C/C=C/CC(=O)CN(C)C 1458a_100000750896_100102629194 [1,1,0,0,0,0|1,0,1]=4 1611 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [1,1,0,0,0,0|1,0,1]=4 1612 B9R0.4 C/C=C/CC(=O)C[S+](C)C 1458a_200159257847_100102629194 [1,1,0,0,0,0|1,0,1]=4 1613 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,1,0,0,0,0|0,0,2]=4 1614 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [1,1,0,0,0,0|0,0,2]=4 1615 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [1,1,0,0,0,0|0,0,2]=4 1616 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [1,1,0,0,0,0|0,0,2]=4 1617 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [1,1,0,0,0,0|0,0,2]=4 1618 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [1,1,0,0,0,0|0,0,1]=3 1619 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [1,1,0,0,0,0|0,0,1]=3 1620 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [1,1,0,0,0,0|1,0,1]=4 1621 B9R0.4 C=CCCC(=O)CN(C)C 1458a_100000750896_100000754431 [1,1,0,0,0,0|1,0,1]=4 1622 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [1,1,0,0,0,0|1,0,1]=4 1623 B9R0.4 C=CCCC(=O)C[S+](C)C 1458a_200159257847_100000754431 [1,1,0,0,0,0|1,0,1]=4 1624 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [1,1,0,0,0,0|1,0,1]=4 1625 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [1,1,0,0,0,0|1,0,1]=4 1626 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [1,1,0,0,0,0|1,0,1]=4 1627 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [1,1,0,0,0,0|1,0,1]=4 1628 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [1,1,0,0,0,0|0,0,2]=4 1629 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [1,1,0,0,0,0|0,0,2]=4 1630 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [1,1,0,0,0,0|0,0,2]=4 1631 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [1,1,0,0,0,0|0,0,1]=3 1632 B9R0.4 CC#CCC(=O)CN(C)C 1458a_100000750896_100000748600 [1,1,0,0,0,0|1,0,1]=4 1633 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [1,1,0,0,0,0|1,0,1]=4 1634 B9R0.4 CC#CCC(=O)C[S+](C)C 1458a_200159257847_100000748600 [1,1,0,0,0,0|1,0,1]=4 1635 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [1,1,0,0,0,0|0,0,2]=4 1636 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [1,1,0,0,0,0|0,0,2]=4 1637 B9R0.4 CC(C)CC(=O)C#CCO 1458a_100000049017_100000210624 [1,1,0,0,0,0|0,0,2]=4 1638 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [1,1,0,0,0,0|0,0,1]=3 1639 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [1,1,0,0,0,0|0,0,1]=3 1640 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,1,0,0,0,0|0,0,0]=2 1641 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,1,0,0,0,0|0,0,0]=2 1642 B9R0.4 CC(C)CC(=O)NCC#N 1626a_100000734998_100000210554 [1,1,0,0,0,0|1,0,1]=4 1643 B9R0.4 CC(C)CC(=O)NCC#N 527a_100000734998_100000210554 [1,1,0,0,0,0|1,0,1]=4 1644 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [1,1,0,0,0,0|1,0,0]=3 1645 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [1,1,0,0,0,0|1,0,0]=3 1646 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [1,1,0,0,0,0|1,0,0]=3 1647 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [1,1,0,0,0,0|1,0,0]=3 1648 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [1,1,0,0,0,0|1,0,0]=3 1649 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [1,1,0,0,0,0|1,0,0]=3 1650 B9R0.4 CC(C)CN(C)CCCF 2230a_100000747067_100011934791 [1,1,0,0,0,0|2,0,0]=4 1651 B9R0.4 CC(C)CN(C)CCCF 269982a_100000747067_100011934791 [1,1,0,0,0,0|2,0,0]=4 1652 B9R0.4 CC(C)CN(C)CCCO 2230a_100000213112_100000210760 [1,1,0,0,0,0|2,0,0]=4 1653 B9R0.4 CC(C)CN(C)CCCO 2230a_100000747067_100000230001 [1,1,0,0,0,0|2,0,0]=4 1654 B9R0.4 CC(C)CN(C)CCCO 269982a_100000213112_100000210624 [1,1,0,0,0,0|2,0,0]=4 1655 B9R0.4 CC(C)CN(C)CCCO 269982a_100000747067_100011215043 [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.4 CC(C)CN(C)CCCO 270004a_100000213112_100000210432 [1,1,0,0,0,0|2,0,0]=4 1657 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [1,1,0,0,0,0|1,0,1]=4 1658 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [1,1,0,0,0,0|1,0,1]=4 1659 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [1,1,0,0,0,0|1,0,1]=4 1660 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [1,1,0,0,0,0|1,0,1]=4 1661 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [1,1,0,0,0,0|1,0,1]=4 1662 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [1,1,0,0,0,0|1,0,0]=3 1663 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [1,1,0,0,0,0|1,0,0]=3 1664 B9R0.4 CC(C)NC(=O)CSCF 62a_100000183996_100015361967 [1,1,0,0,0,0|2,0,0]=4 1665 B9R0.4 CC(C)NC(=O)CSCF 62a_100015361967_100000183996 [1,1,0,0,0,0|2,0,0]=4 1666 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [1,1,0,0,0,0|2,0,0]=4 1667 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [1,1,0,0,0,0|2,0,0]=4 1668 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [1,1,0,0,0,0|2,0,0]=4 1669 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [1,1,0,0,0,0|2,0,0]=4 1670 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [1,1,0,0,0,0|2,0,0]=4 1671 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,1,0,0,0,0|1,0,0]=3 1673 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,1,0,0,0,0|1,0,0]=3 1674 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [1,1,0,0,0,0|2,0,0]=4 1675 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [1,1,0,0,0,0|2,0,0]=4 1676 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [1,1,0,0,0,0|2,0,0]=4 1677 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [1,1,0,0,0,0|2,0,0]=4 1678 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [1,1,0,0,0,0|1,0,1]=4 1679 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [1,1,0,0,0,0|0,0,1]=3 1680 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [1,1,0,0,0,0|0,0,1]=3 1681 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [1,1,0,0,0,0|1,0,1]=4 1682 B9R0.4 CC=CCC(=O)CN(C)C 1458a_100000750896_100000070051 [1,1,0,0,0,0|1,0,1]=4 1683 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [1,1,0,0,0,0|1,0,1]=4 1684 B9R0.4 CC=CCC(=O)C[S+](C)C 1458a_200159257847_100000070051 [1,1,0,0,0,0|1,0,1]=4 1685 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [1,1,0,0,0,0|1,0,1]=4 1686 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [1,1,0,0,0,0|1,0,1]=4 1687 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [1,1,0,0,0,0|1,0,1]=4 1688 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [1,1,0,0,0,0|1,0,1]=4 1689 B9R0.4 CC=NNC(=O)CC(C)C 4a_100000189787_200000210099 [1,1,0,0,0,0|1,0,1]=4 1690 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [1,1,0,0,0,0|0,0,1]=3 1691 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [1,1,0,0,0,0|1,0,1]=4 1692 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [1,1,0,0,0,0|0,0,1]=3 1693 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [1,1,0,0,0,0|1,0,1]=4 1694 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [1,1,0,0,0,0|1,0,1]=4 1695 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [1,1,0,0,0,0|1,0,1]=4 1696 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [1,1,0,0,0,0|1,0,1]=4 1697 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,1,0,0,0,0|0,0,2]=4 1698 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|0,0,0]=2 1699 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|0,0,0]=2 1700 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|1,0,0]=3 1701 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [1,1,0,0,0,0|2,0,0]=4 1702 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,1,0,0,0,0|1,0,0]=3 1703 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|1,0,0]=3 1704 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,1,0,0,0,0|1,0,0]=3 1705 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 1706 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 1707 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 1708 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 1709 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [1,1,0,0,0,0|2,0,0]=4 1710 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 1711 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [1,1,0,0,0,0|2,0,0]=4 1712 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 1713 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [1,1,0,0,0,0|2,0,0]=4 1714 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [1,1,0,0,0,0|0,0,2]=4 1715 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [1,1,0,0,0,0|0,0,2]=4 1716 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [1,1,0,0,0,0|0,0,2]=4 1717 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [1,1,0,0,0,0|1,0,1]=4 1718 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,1,0,0,0,0|0,0,0]=2 1719 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,1,0,0,0,0|0,0,0]=2 1720 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,1,0,0,0,0|0,0,0]=2 1721 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,1,0,0,0,0|0,0,0]=2 1722 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [1,1,0,0,0,0|1,0,0]=3 1723 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [1,1,0,0,0,0|1,0,0]=3 1724 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [1,1,0,0,0,0|1,0,0]=3 1725 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [1,1,0,0,0,0|1,0,0]=3 1726 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [1,1,0,0,0,0|1,0,0]=3 1727 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [1,1,0,0,0,0|1,0,0]=3 1728 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [1,1,0,0,0,0|1,0,0]=3 1729 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [1,1,0,0,0,0|1,0,0]=3 1730 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [1,1,0,0,0,0|1,0,0]=3 1731 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,1,0,0,0,0|1,0,0]=3 1732 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [1,1,0,0,0,0|1,0,0]=3 1733 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [1,1,0,0,0,0|1,0,0]=3 1734 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [1,1,0,0,0,0|1,0,0]=3 1735 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [1,1,0,0,0,0|1,0,0]=3 1736 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [1,1,0,0,0,0|1,0,0]=3 1737 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [1,1,0,0,0,0|1,0,0]=3 1738 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [1,1,0,0,0,0|1,0,0]=3 1739 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [1,1,0,0,0,0|1,0,0]=3 1740 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [1,1,0,0,0,0|1,0,0]=3 1741 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [1,1,0,0,0,0|1,0,1]=4 1742 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [1,1,0,0,0,0|1,0,1]=4 1743 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [1,1,0,0,0,0|1,0,0]=3 1744 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [1,1,0,0,0,0|1,0,0]=3 1745 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [1,1,0,0,0,0|1,0,1]=4 1746 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [1,1,0,0,0,0|1,0,1]=4 1747 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [1,1,0,0,0,0|1,0,1]=4 1748 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [1,1,0,0,0,0|1,0,1]=4 1749 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [1,1,0,0,0,0|1,0,1]=4 1750 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [1,1,0,0,0,0|1,0,0]=3 1751 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [1,1,0,0,0,0|1,0,0]=3 1752 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,1,0,0,0,0|1,0,0]=3 1753 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [1,1,0,0,0,0|1,0,0]=3 1754 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [1,1,0,0,0,0|2,0,0]=4 1755 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [1,1,0,0,0,0|2,0,0]=4 1756 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [1,1,0,0,0,0|2,0,0]=4 1757 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [1,1,0,0,0,0|2,0,0]=4 1758 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [1,1,0,0,0,0|2,0,0]=4 1759 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [1,1,0,0,0,0|2,0,0]=4 1760 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,1,0,0,0,0|0,0,0]=2 1761 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|1,0,0]=3 1762 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [1,1,0,0,0,0|2,0,0]=4 1763 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [1,1,0,0,0,0|1,0,0]=3 1764 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [1,1,0,0,0,0|1,0,0]=3 1765 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [1,1,0,0,0,0|1,0,0]=3 1766 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [1,1,0,0,0,0|1,0,0]=3 1767 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [1,1,0,0,0,0|1,0,0]=3 1768 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,1,0,0,0,0|1,0,0]=3 1769 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [1,1,0,0,0,0|2,0,0]=4 1770 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [1,1,0,0,0,0|1,0,1]=4 1771 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,1,0,0,0,0|0,0,0]=2 1772 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|1,0,0]=3 1773 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [1,1,0,0,0,0|2,0,0]=4 1774 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [1,1,0,0,0,0|1,0,0]=3 1775 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [1,1,0,0,0,0|1,0,0]=3 1776 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [1,1,0,0,0,0|1,0,0]=3 1777 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [1,1,0,0,0,0|1,0,0]=3 1778 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [1,1,0,0,0,0|1,0,0]=3 1779 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [1,1,0,0,0,0|1,0,0]=3 1780 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,1,0,0,0,0|1,0,0]=3 1781 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,1,0,0,0,0|1,0,0]=3 1782 B9R0.4 CN(C)CC(=O)CCC#N 1458a_100000750896_100011215226 [1,1,0,0,0,0|1,0,1]=4 1783 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [1,1,0,0,0,0|1,0,0]=3 1784 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [1,1,0,0,0,0|1,0,0]=3 1785 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [1,1,0,0,0,0|2,0,0]=4 1786 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [1,1,0,0,0,0|2,0,0]=4 1787 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [1,1,0,0,0,0|2,0,0]=4 1788 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [1,1,0,0,0,0|2,0,0]=4 1789 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [1,1,0,0,0,0|2,0,0]=4 1790 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [1,1,0,0,0,0|1,0,0]=3 1791 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [1,1,0,0,0,0|1,0,0]=3 1792 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 1793 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 1794 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [1,1,0,0,0,0|0,0,2]=4 1795 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [1,1,0,0,0,0|0,0,2]=4 1796 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,1,0,0,0,0|0,0,0]=2 1797 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,1,0,0,0,0|0,0,0]=2 1798 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|1,0,0]=3 1799 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [1,1,0,0,0,0|2,0,0]=4 1800 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [1,1,0,0,0,0|1,0,0]=3 1801 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|1,0,0]=3 1802 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [1,1,0,0,0,0|1,0,0]=3 1803 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [1,1,0,0,0,0|1,0,0]=3 1804 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [1,1,0,0,0,0|1,0,0]=3 1805 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [1,1,0,0,0,0|1,0,0]=3 1806 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [1,1,0,0,0,0|1,0,0]=3 1807 B9R0.4 COCCN(C)CC(C)C 2230a_100000743101_100000210760 [1,1,0,0,0,0|2,0,0]=4 1808 B9R0.4 COCCN(C)CC(C)C 2230a_100000747067_100011201679 [1,1,0,0,0,0|2,0,0]=4 1809 B9R0.4 COCCN(C)CC(C)C 269982a_100000743101_100000210624 [1,1,0,0,0,0|2,0,0]=4 1810 B9R0.4 COCCN(C)CC(C)C 269982a_100000747067_100000233755 [1,1,0,0,0,0|2,0,0]=4 1811 B9R0.4 COCCN(C)CC(C)C 270004a_100000743101_100000210432 [1,1,0,0,0,0|2,0,0]=4 1812 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [1,1,0,0,0,0|1,0,1]=4 1813 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [1,1,0,0,0,0|0,0,2]=4 1814 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,1,0,0,0,0|0,0,0]=2 1815 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,1,0,0,0,0|0,0,0]=2 1816 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|1,0,0]=3 1817 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [1,1,0,0,0,0|2,0,0]=4 1818 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [1,1,0,0,0,0|1,0,0]=3 1819 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|1,0,0]=3 1820 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [1,1,0,0,0,0|1,0,0]=3 1821 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [1,1,0,0,0,0|1,0,0]=3 1822 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [1,1,0,0,0,0|1,0,0]=3 1823 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [1,1,0,0,0,0|1,0,0]=3 1824 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [1,1,0,0,0,0|1,0,0]=3 1825 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [1,1,0,0,0,0|1,0,0]=3 1826 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [1,1,0,0,0,0|1,0,0]=3 1827 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,1,0,0,0,0|1,0,0]=3 1828 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,1,0,0,0,0|1,0,0]=3 1829 B9R0.4 CSCCN(C)CC(C)C 2230a_100000686725_100000210760 [1,1,0,0,0,0|2,0,0]=4 1830 B9R0.4 CSCCN(C)CC(C)C 2230a_100000747067_100000751147 [1,1,0,0,0,0|2,0,0]=4 1831 B9R0.4 CSCCN(C)CC(C)C 269982a_100000686725_100000210624 [1,1,0,0,0,0|2,0,0]=4 1832 B9R0.4 CSCCN(C)CC(C)C 269982a_100000747067_100000212216 [1,1,0,0,0,0|2,0,0]=4 1833 B9R0.4 CSCCN(C)CC(C)C 270004a_100000686725_100000210432 [1,1,0,0,0,0|2,0,0]=4 1834 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [1,1,0,0,0,0|2,0,0]=4 1835 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [1,1,0,0,0,0|2,0,0]=4 1836 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [1,1,0,0,0,0|1,0,1]=4 1837 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|1,0,0]=3 1838 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|1,0,0]=3 1839 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [1,1,0,0,0,0|2,0,0]=4 1840 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [1,1,0,0,0,0|2,0,0]=4 1841 B9R0.4 C[S+](C)CC(=O)CCC#N 1458a_200159257847_100011215226 [1,1,0,0,0,0|1,0,1]=4 1842 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [1,1,0,0,0,0|1,0,0]=3 1843 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [1,1,0,0,0,0|1,0,0]=3 1844 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [1,1,0,0,0,0|2,0,0]=4 1845 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [1,1,0,0,0,0|2,0,0]=4 1846 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [1,1,0,0,0,0|2,0,0]=4 1847 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [1,1,0,0,0,0|2,0,0]=4 1848 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [1,1,0,0,0,0|2,0,0]=4 1849 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [1,1,0,0,0,0|2,0,0]=4 1850 B9R0.6 C#CCC(=O)C(C)C(C)C 1458a_100000755409_100000184674 [1,1,0,0,0,0|0,0,2]=4 1851 B9R0.6 C#CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000184674 [1,1,0,0,0,0|0,0,2]=4 1852 B9R0.6 C=CCC(=O)C(C)C(C)C 1458a_100000755409_100000210623 [1,1,0,0,0,0|0,0,2]=4 1853 B9R0.6 C=CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210623 [1,1,0,0,0,0|0,0,2]=4 1854 B9R0.6 CC(C)C(C)C(=O)CC#N 1458a_100000755409_100011214920 [1,1,0,0,0,0|1,0,1]=4 1855 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [1,1,0,0,0,0|1,0,0]=3 1856 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [1,1,0,0,0,0|1,0,0]=3 1857 B9R0.6 CC(C)N(C)C(=O)CCO 240690a_200000211004_100011216618 [1,1,0,0,0,0|2,0,0]=4 1858 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_100000230190_200025704644 [1,1,0,0,0,0|2,0,0]=4 1859 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_200025704644_100000230190 [1,1,0,0,0,0|2,0,0]=4 1860 B9R0.6 CC(C)[C@@H](O)C(=O)CC#N 1458a_100000691806_100011214920 [1,1,0,0,0,0|1,0,1]=4 1861 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [1,1,0,0,0,0|1,0,0]=3 1862 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [1,1,0,0,0,0|1,0,0]=3 1863 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [1,1,0,0,0,0|1,0,1]=4 1864 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [1,1,0,0,0,0|1,0,1]=4 1865 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [1,1,0,0,0,0|0,0,0]=2 1866 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [1,1,0,0,0,0|1,0,0]=3 1867 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [1,1,0,0,0,0|1,0,0]=3 1868 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [1,1,0,0,0,0|1,0,0]=3 1869 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [1,1,0,0,0,0|1,0,0]=3 1870 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [1,1,0,0,0,0|1,0,0]=3 1871 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [1,1,0,0,0,0|0,0,0]=2 1872 B9R0.6 CCCN(C)C(C)C(C)C 2230a_100000228512_100000210303 [1,1,0,0,0,0|2,0,0]=4 1873 B9R0.6 CCCN(C)C(C)C(C)C 2230a_200015185082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1874 B9R0.6 CCCN(C)C(C)C(C)C 269982a_100000228512_100000210303 [1,1,0,0,0,0|2,0,0]=4 1875 B9R0.6 CCCN(C)C(C)C(C)C 269982a_200015185082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1876 B9R0.6 CCCN([13CH3])C(C)C(C)C 2230a_200015185082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1877 B9R0.6 CCCN([13CH3])C(C)C(C)C 269982a_200015185082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1878 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [1,1,0,0,0,0|1,0,1]=4 1879 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 1880 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 1881 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 1882 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [1,1,0,0,0,0|2,0,0]=4 1883 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [1,1,0,0,0,0|2,0,0]=4 1884 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [1,1,0,0,0,0|2,0,0]=4 1885 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [1,1,0,0,0,0|2,0,0]=4 1886 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [1,1,0,0,0,0|2,0,0]=4 1887 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [1,1,0,0,0,0|2,0,0]=4 1888 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [1,1,0,0,0,0|1,0,0]=3 1889 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [1,1,0,0,0,0|2,0,0]=4 1890 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [1,1,0,0,0,0|2,0,0]=4 1891 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [1,1,0,0,0,0|2,0,0]=4 1892 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [1,1,0,0,0,0|2,0,0]=4 1893 B9R0.6 CNCC(=O)N(C)C(C)C 2230a_106832991635_100000230190 [1,1,0,0,0,0|2,0,0]=4 1894 B9R0.6 CNCC(=O)N(C)C(C)C 34a_100102657272_100000230190 [1,1,0,0,0,0|2,0,0]=4 1895 B9R0.6 CNCC(=O)N(C)C(C)C 7a_106832991635_100000230190 [1,1,0,0,0,0|2,0,0]=4 1896 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [1,1,0,0,0,0|2,0,0]=4 1897 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [1,1,0,0,0,0|2,0,0]=4 1898 B9R0.6 COCC(=O)N(C)C(C)C 11a_200000211004_100000210968 [1,1,0,0,0,0|2,0,0]=4 1899 B9R0.6 COCC(=O)N(C)C(C)C 1626a_200000211004_100000210968 [1,1,0,0,0,0|2,0,0]=4 1900 B9R0.6 COCC(=O)N(C)C(C)C 240690a_200000211004_100000210968 [1,1,0,0,0,0|2,0,0]=4 1901 B9R0.6 COCC(=O)N(C)C(C)C 34a_100138415774_100000230190 [1,1,0,0,0,0|2,0,0]=4 1902 B9R0.6 COCC(=O)N(C)C(C)C 527a_200000211004_100000210968 [1,1,0,0,0,0|2,0,0]=4 1903 B9R0.6 CSCC(=O)N(C)C(C)C 11a_200000211004_100000184570 [1,1,0,0,0,0|2,0,0]=4 1904 B9R0.6 CSCC(=O)N(C)C(C)C 1626a_200000211004_100000184570 [1,1,0,0,0,0|2,0,0]=4 1905 B9R0.6 CSCC(=O)N(C)C(C)C 240690a_200000211004_100000184570 [1,1,0,0,0,0|2,0,0]=4 1906 B9R0.6 CSCC(=O)N(C)C(C)C 527a_200000211004_100000184570 [1,1,0,0,0,0|2,0,0]=4 1907 B9R0.6 CSCC(=O)N(C)C(C)C 62a_100000230190_200000210301 [1,1,0,0,0,0|2,0,0]=4 1908 B9R0.6 CSCC(=O)N(C)C(C)C 62a_200000210301_100000230190 [1,1,0,0,0,0|2,0,0]=4 1909 B9R0.6 C[C@@H](C(=O)CCF)N(C)C 1458a_100009822176_100011217306 [1,1,0,0,0,0|2,0,0]=4 1910 B9R0.6 C[C@@H](C(=O)CCO)N(C)C 1458a_100009822176_100000211926 [1,1,0,0,0,0|2,0,0]=4 1911 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [1,1,0,0,0,0|0,0,2]=4 1912 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [1,1,0,0,0,0|0,0,2]=4 1913 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [1,1,0,0,0,0|0,0,2]=4 1914 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [1,1,0,0,0,0|0,0,2]=4 1915 B9R0.14 CCCN(CC)CC(C)C 2230a_100000226822_100000210760 [1,1,0,0,0,0|2,0,0]=4 1916 B9R0.14 CCCN(CC)CC(C)C 2230a_100000738554_100000210303 [1,1,0,0,0,0|2,0,0]=4 1917 B9R0.14 CCCN(CC)CC(C)C 269982a_100000226822_100000210624 [1,1,0,0,0,0|2,0,0]=4 1918 B9R0.14 CCCN(CC)CC(C)C 269982a_100000738554_100000210303 [1,1,0,0,0,0|2,0,0]=4 1919 B9R0.14 CCCN(CC)CC(C)C 270004a_100000226822_100000210432 [1,1,0,0,0,0|2,0,0]=4 1920 B9R0.23 C#CC(C)C(=O)CC(C)C 1458a_100000210554_200000035995 [1,1,0,0,0,0|0,0,2]=4 1921 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [1,1,0,0,0,0|0,0,2]=4 1922 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [1,1,0,0,0,0|0,0,2]=4 1923 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [1,1,0,0,0,0|0,0,2]=4 1924 B9R0.23 C=C(CC(C)C)C(C)NC 269862a_106832991636_100009860644 [1,1,0,0,0,0|2,0,0]=4 1925 B9R0.23 C=CC(C)C(=O)CC(C)C 1458a_100011216780_100000210624 [1,1,0,0,0,0|0,0,2]=4 1926 B9R0.23 CC(C)CC(=O)C(C)C#N 1458a_100000210554_100000703298 [1,1,0,0,0,0|1,0,1]=4 1927 B9R0.23 CC(C)CC(=O)C(C)C#N 1458a_100000753662_100000210624 [1,1,0,0,0,0|1,0,1]=4 1928 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [1,1,0,0,0,0|1,0,0]=3 1929 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 2230a_100015205314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1930 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 34a_100015205314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1931 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_100000195394_200025704644 [1,1,0,0,0,0|2,0,0]=4 1932 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000195394 [1,1,0,0,0,0|2,0,0]=4 1933 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [1,1,0,0,0,0|2,0,0]=4 1934 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [1,1,0,0,0,0|2,0,0]=4 1935 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [1,1,0,0,0,0|2,0,0]=4 1936 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [1,1,0,0,0,0|2,0,0]=4 1937 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [1,1,0,0,0,0|1,0,1]=4 1938 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [1,1,0,0,0,0|0,0,2]=4 1939 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [1,1,0,0,0,0|0,0,0]=2 1940 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [1,1,0,0,0,0|0,0,0]=2 1941 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [1,1,0,0,0,0|1,0,0]=3 1942 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [1,1,0,0,0,0|2,0,0]=4 1943 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [1,1,0,0,0,0|1,0,0]=3 1944 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [1,1,0,0,0,0|1,0,0]=3 1945 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [1,1,0,0,0,0|1,0,0]=3 1946 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1947 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1948 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1949 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1950 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000741768_100000210760 [1,1,0,0,0,0|2,0,0]=4 1951 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000747067_100000758301 [1,1,0,0,0,0|2,0,0]=4 1952 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000741768_100000210624 [1,1,0,0,0,0|2,0,0]=4 1953 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000747067_100000758301 [1,1,0,0,0,0|2,0,0]=4 1954 B9R0.23 CCC(C)N(C)CC(C)C 270004a_100000741768_100000210432 [1,1,0,0,0,0|2,0,0]=4 1955 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [1,1,0,0,0,0|0,0,0]=2 1956 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [1,1,0,0,0,0|1,0,0]=3 1957 B9R0.23 CCC(O)C(=O)CC(F)F 1458a_100011196387_100011934356 [1,1,0,0,0,0|2,0,0]=4 1958 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [1,1,0,0,0,0|1,0,0]=3 1959 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [1,1,0,0,0,0|1,0,0]=3 1960 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [1,1,0,0,0,0|1,0,0]=3 1961 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [1,1,0,0,0,0|1,0,0]=3 1962 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [1,1,0,0,0,0|1,0,0]=3 1963 B9R0.23 CCN(C)C(=O)CN(C)C 11a_100000225621_100000750896 [1,1,0,0,0,0|2,0,0]=4 1964 B9R0.23 CCN(C)C(=O)CN(C)C 2230a_100102631434_100000738999 [1,1,0,0,0,0|2,0,0]=4 1965 B9R0.23 CCN(C)C(=O)CN(C)C 240690a_100000225621_100000750896 [1,1,0,0,0,0|2,0,0]=4 1966 B9R0.23 CCN(C)C(=O)CN(C)C 269982a_100102631434_100000738999 [1,1,0,0,0,0|2,0,0]=4 1967 B9R0.23 CCN(C)C(=O)CN(C)C 527a_100000225621_100000750896 [1,1,0,0,0,0|2,0,0]=4 1968 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [1,1,0,0,0,0|2,0,0]=4 1969 B9R0.23 CCN(C)C(=O)C[S+](C)C 11a_100000225621_200159257847 [1,1,0,0,0,0|2,0,0]=4 1970 B9R0.23 CCN(C)C(=O)C[S+](C)C 1626a_100000225621_200159257847 [1,1,0,0,0,0|2,0,0]=4 1971 B9R0.23 CCN(C)C(=O)C[S+](C)C 240690a_100000225621_200159257847 [1,1,0,0,0,0|2,0,0]=4 1972 B9R0.23 CCN(C)C(=O)C[S+](C)C 527a_100000225621_200159257847 [1,1,0,0,0,0|2,0,0]=4 1973 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 1974 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 1975 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [1,1,0,0,0,0|1,0,1]=4 1976 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_100015205314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1977 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_106832991635_100000195394 [1,1,0,0,0,0|2,0,0]=4 1978 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100015205314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1979 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100102657272_100000195394 [1,1,0,0,0,0|2,0,0]=4 1980 B9R0.23 CNC(C)C(=O)NC(C)C 7a_106832991635_100000195394 [1,1,0,0,0,0|2,0,0]=4 1981 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [1,1,0,0,0,0|1,0,0]=3 1982 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [1,1,0,0,0,0|2,0,0]=4 1983 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1984 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1985 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1986 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [1,1,0,0,0,0|2,0,0]=4 1987 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1988 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [1,1,0,0,0,0|2,0,0]=4 1989 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [1,1,0,0,0,0|2,0,0]=4 1990 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [1,1,0,0,0,0|1,0,0]=3 1991 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [1,1,0,0,0,0|2,0,0]=4 1992 B9R0.23 CSC(C)C(=O)NC(C)C 11a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1993 B9R0.23 CSC(C)C(=O)NC(C)C 1626a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1994 B9R0.23 CSC(C)C(=O)NC(C)C 240690a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1995 B9R0.23 CSC(C)C(=O)NC(C)C 527a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1996 B9R0.23 CSC(C)C(=O)NC(C)C 62a_100000195394_200000210301 [1,1,0,0,0,0|2,0,0]=4 1997 B9R0.23 CSC(C)C(=O)NC(C)C 62a_200000210301_100000195394 [1,1,0,0,0,0|2,0,0]=4 1998 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [1,1,0,0,0,0|1,0,1]=4 1999 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [1,1,0,0,0,0|1,0,1]=4 2000 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [1,1,0,0,0,0|1,0,1]=4 2001 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [1,1,0,0,0,0|1,0,1]=4 2002 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [1,1,0,0,0,0|0,0,2]=4 2003 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [1,1,0,0,0,0|0,0,2]=4 2004 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [1,1,0,0,0,0|0,0,2]=4 2005 B9R0.34 C#CCC(=O)C[C@@H](C)CO 1458a_100011220946_100000059175 [1,1,0,0,0,0|0,0,2]=4 2006 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [1,1,0,0,0,0|0,0,1]=3 2007 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [1,1,0,0,0,0|1,0,1]=4 2008 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [1,1,0,0,0,0|1,0,1]=4 2009 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [1,1,0,0,0,0|1,0,1]=4 2010 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [1,1,0,0,0,0|1,0,1]=4 2011 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [1,1,0,0,0,0|1,0,1]=4 2012 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [1,1,0,0,0,0|0,0,2]=4 2013 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [1,1,0,0,0,0|0,0,2]=4 2014 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [1,1,0,0,0,0|0,0,2]=4 2015 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [1,1,0,0,0,0|0,0,2]=4 2016 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [1,1,0,0,0,0|0,0,2]=4 2017 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [1,1,0,0,0,0|0,0,2]=4 2018 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [1,1,0,0,0,0|0,0,2]=4 2019 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [1,1,0,0,0,0|0,0,2]=4 2020 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [1,1,0,0,0,0|0,0,2]=4 2021 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [1,1,0,0,0,0|0,0,2]=4 2022 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [1,1,0,0,0,0|1,0,1]=4 2023 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [1,1,0,0,0,0|1,0,1]=4 2024 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [1,1,0,0,0,0|1,0,0]=3 2025 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [1,1,0,0,0,0|1,0,0]=3 2026 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [1,1,0,0,0,0|1,0,0]=3 2027 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,1,0,0,0,0|1,0,0]=3 2028 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,1,0,0,0,0|1,0,0]=3 2029 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [1,1,0,0,0,0|2,0,0]=4 2030 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [1,1,0,0,0,0|2,0,0]=4 2031 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [1,1,0,0,0,0|2,0,0]=4 2032 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [1,1,0,0,0,0|2,0,0]=4 2033 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [1,1,0,0,0,0|2,0,0]=4 2034 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 2035 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 2036 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 2037 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [1,1,0,0,0,0|2,0,0]=4 2038 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 2039 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 2040 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 2041 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 2042 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 2043 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [1,1,0,0,0,0|2,0,0]=4 2044 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [1,1,0,0,0,0|2,0,0]=4 2045 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [1,1,0,0,0,0|2,0,0]=4 2046 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [1,1,0,0,0,0|2,0,0]=4 2047 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [1,1,0,0,0,0|2,0,0]=4 2048 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [1,1,0,0,0,0|2,0,0]=4 2049 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [1,1,0,0,0,0|2,0,0]=4 2050 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [1,1,0,0,0,0|2,0,0]=4 2051 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [1,1,0,0,0,0|2,0,0]=4 2052 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [1,1,0,0,0,0|0,0,2]=4 2053 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,1,0,0,0,0|1,0,1]=4 2054 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,1,0,0,0,0|1,0,1]=4 2055 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [1,1,0,0,0,0|1,0,1]=4 2056 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [1,1,0,0,0,0|1,0,1]=4 2057 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [1,1,0,0,0,0|1,0,1]=4 2058 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [1,1,0,0,0,0|1,0,1]=4 2059 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|0,0,0]=2 2060 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|0,0,0]=2 2061 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|1,0,0]=3 2062 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|1,0,0]=3 2063 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,1,0,0,0,0|1,0,0]=3 2064 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,1,0,0,0,0|1,0,0]=3 2065 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,1,0,0,0,0|1,0,0]=3 2066 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|0,0,0]=2 2067 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|0,0,0]=2 2068 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [1,1,0,0,0,0|1,0,1]=4 2069 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [1,1,0,0,0,0|1,0,1]=4 2070 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [1,1,0,0,0,0|1,0,1]=4 2071 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 2072 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 2073 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 2074 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 2075 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [1,1,0,0,0,0|1,0,0]=3 2076 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [1,1,0,0,0,0|1,0,0]=3 2077 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [1,1,0,0,0,0|1,0,0]=3 2078 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [1,1,0,0,0,0|1,0,0]=3 2079 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [1,1,0,0,0,0|1,0,0]=3 2080 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [1,1,0,0,0,0|1,0,0]=3 2081 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [1,1,0,0,0,0|2,0,0]=4 2082 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [1,1,0,0,0,0|2,0,0]=4 2083 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [1,1,0,0,0,0|2,0,0]=4 2084 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [1,1,0,0,0,0|2,0,0]=4 2085 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [1,1,0,0,0,0|2,0,0]=4 2086 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [1,1,0,0,0,0|2,0,0]=4 2087 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [1,1,0,0,0,0|2,0,0]=4 2088 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [1,1,0,0,0,0|2,0,0]=4 2089 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [1,1,0,0,0,0|2,0,0]=4 2090 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [1,1,0,0,0,0|2,0,0]=4 2091 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [1,1,0,0,0,0|2,0,0]=4 2092 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 2093 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 2094 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 2095 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,1,0,0,0,0|2,0,0]=4 2096 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 2097 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,1,0,0,0,0|2,0,0]=4 2098 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 2099 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 2100 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,1,0,0,0,0|2,0,0]=4 2101 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 2102 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [1,1,0,0,0,0|2,0,0]=4 2103 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 2104 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 2105 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 2106 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 2107 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 2108 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 2109 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [1,1,0,0,0,0|2,0,0]=4 2110 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [1,1,0,0,0,0|2,0,0]=4 2111 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [1,1,0,0,0,0|2,0,0]=4 2112 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [1,1,0,0,0,0|2,0,0]=4 2113 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [1,1,0,0,0,0|2,0,0]=4 2114 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [1,1,0,0,0,0|2,0,0]=4 2115 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [1,1,0,0,0,0|2,0,0]=4 2116 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [1,1,0,0,0,0|2,0,0]=4 2117 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [1,1,0,0,0,0|2,0,0]=4 2118 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 2119 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 2120 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,1,0,0,0,0|1,0,0]=3 2121 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,1,0,0,0,0|1,0,0]=3 2122 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,1,0,0,0,0|1,0,0]=3 2123 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,1,0,0,0,0|1,0,0]=3 2124 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,1,0,0,0,0|2,0,0]=4 2125 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,1,0,0,0,0|2,0,0]=4 2126 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,1,0,0,0,0|2,0,0]=4 2127 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,1,0,0,0,0|2,0,0]=4 2128 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,1,0,0,0,0|2,0,0]=4 2129 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,1,0,0,0,0|2,0,0]=4 2130 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,1,0,0,0,0|2,0,0]=4 2131 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,1,0,0,0,0|1,0,0]=3 2132 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,1,0,0,0,0|1,0,0]=3 2133 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [1,1,0,0,0,0|2,0,0]=4 2134 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [1,1,0,0,0,0|2,0,0]=4 2135 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [1,1,0,0,0,0|2,0,0]=4 2136 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [1,1,0,0,0,0|2,0,0]=4 2137 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [1,1,0,0,0,0|1,0,1]=4 2138 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [1,1,0,0,0,0|1,0,0]=3 2139 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,1,0,0,0,0|1,0,0]=3 2140 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,1,0,0,0,0|1,0,0]=3 2141 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [1,1,0,0,0,0|1,0,0]=3 2142 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [1,1,0,0,0,0|2,0,0]=4 2143 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [1,1,0,0,0,0|2,0,0]=4 2144 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [1,1,0,0,0,0|2,0,0]=4 2145 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [1,1,0,0,0,0|2,0,0]=4 2146 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [1,1,0,0,0,0|2,0,0]=4 2147 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [1,1,0,0,0,0|2,0,0]=4 2148 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [1,1,0,0,0,0|1,0,0]=3 2149 B9R0.34 CSCC(=O)N[C@H](C)CF 11a_100102880703_100000184570 [1,1,0,0,0,0|2,0,0]=4 2150 B9R0.34 CSCC(=O)N[C@H](C)CF 1626a_100102880703_100000184570 [1,1,0,0,0,0|2,0,0]=4 2151 B9R0.34 CSCC(=O)N[C@H](C)CF 240690a_100102880703_100000184570 [1,1,0,0,0,0|2,0,0]=4 2152 B9R0.34 CSCC(=O)N[C@H](C)CF 527a_100102880703_100000184570 [1,1,0,0,0,0|2,0,0]=4 2153 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [1,1,0,0,0,0|2,0,0]=4 2154 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [1,1,0,0,0,0|2,0,0]=4 2155 B9R0.34 C[C@@H](CO)CC(=O)CC#N 1458a_100051588842_100000059175 [1,1,0,0,0,0|1,0,1]=4 2156 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [1,1,0,0,0,0|1,0,0]=3 2157 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [1,1,0,0,0,0|2,0,0]=4 2158 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [1,1,0,0,0,0|2,0,0]=4 2159 B9R0.44 C#CCC(=O)CC(C)(C)C 1458a_100000211214_100000184674 [1,1,0,0,0,0|0,0,2]=4 2160 B9R0.44 C#CCC(=O)CC(C)(C)O 1458a_100000693243_100000184674 [1,1,0,0,0,0|0,0,2]=4 2161 B9R0.44 C=CCC(=O)CC(C)(C)C 1458a_100000211214_100000210623 [1,1,0,0,0,0|0,0,2]=4 2162 B9R0.44 C=CCC(=O)CC(C)(C)O 1458a_100000693243_100000210623 [1,1,0,0,0,0|0,0,2]=4 2163 B9R0.44 CC(C)(C)CC(=O)CC#N 1458a_100000211214_100011214920 [1,1,0,0,0,0|1,0,1]=4 2164 B9R0.44 CC(C)(C)CC(=O)CCF 1458a_100000211214_100011217306 [1,1,0,0,0,0|1,0,0]=3 2165 B9R0.44 CC(C)(C)CC(=O)CCO 1458a_100000211214_100000211926 [1,1,0,0,0,0|1,0,0]=3 2166 B9R0.44 CC(C)(C)NC(=O)CCO 240690a_100000715429_100011216618 [1,1,0,0,0,0|2,0,0]=4 2167 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 2230a_100000174917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2168 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 34a_100000174917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2169 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_100000182746_200025704644 [1,1,0,0,0,0|2,0,0]=4 2170 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_200025704644_100000182746 [1,1,0,0,0,0|2,0,0]=4 2171 B9R0.44 CC(C)(C)OC(=O)CO[13CH3] 34a_100000752683_200025704644 [1,1,0,0,0,0|2,0,0]=4 2172 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_100000183872_200025704644 [1,1,0,0,0,0|2,0,0]=4 2173 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_200025704644_100000183872 [1,1,0,0,0,0|2,0,0]=4 2174 B9R0.44 CC(C)(O)CC(=O)CC#N 1458a_100000693243_100011214920 [1,1,0,0,0,0|1,0,1]=4 2175 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [1,1,0,0,0,0|1,0,0]=3 2176 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [1,1,0,0,0,0|1,0,0]=3 2177 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [1,1,0,0,0,0|0,0,0]=2 2178 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [1,1,0,0,0,0|0,0,0]=2 2179 B9R0.44 CCCC(=O)CC(F)(F)F 1458a_100000245130_100000210303 [1,1,0,0,0,0|2,0,0]=4 2180 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [1,1,0,0,0,0|2,0,0]=4 2181 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [1,1,0,0,0,0|1,0,0]=3 2182 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [1,1,0,0,0,0|0,1,0]=3 2183 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [1,1,0,0,0,0|0,1,0]=3 2184 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [1,1,0,0,0,0|1,0,0]=3 2185 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [1,1,0,0,0,0|1,0,0]=3 2186 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [1,1,0,0,0,0|1,0,0]=3 2187 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [1,1,0,0,0,0|1,0,0]=3 2188 B9R0.44 CCCN(C)CC(C)(C)C 2230a_100000742839_100000210303 [1,1,0,0,0,0|2,0,0]=4 2189 B9R0.44 CCCN(C)CC(C)(C)C 2230a_107254831479_200000210301 [1,1,0,0,0,0|2,0,0]=4 2190 B9R0.44 CCCN(C)CC(C)(C)C 269982a_100000742839_100000210303 [1,1,0,0,0,0|2,0,0]=4 2191 B9R0.44 CCCN(C)CC(C)(C)C 269982a_107254831479_200000210301 [1,1,0,0,0,0|2,0,0]=4 2192 B9R0.44 CCCN(C)CC(C)(C)C 270004a_100000747261_100011204126 [1,1,0,0,0,0|2,0,0]=4 2193 B9R0.44 CCCN(C)CC(C)(C)O 2230a_100000755907_100000210303 [1,1,0,0,0,0|2,0,0]=4 2194 B9R0.44 CCCN(C)CC(C)(C)O 269982a_100000755907_100000210303 [1,1,0,0,0,0|2,0,0]=4 2195 B9R0.44 CCCN([13CH3])CC(C)(C)C 2230a_107254831479_200025704644 [1,1,0,0,0,0|2,0,0]=4 2196 B9R0.44 CCCN([13CH3])CC(C)(C)C 269982a_107254831479_200025704644 [1,1,0,0,0,0|2,0,0]=4 2197 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [1,1,0,0,0,0|1,0,0]=3 2198 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [1,1,0,0,0,0|1,0,0]=3 2199 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [1,1,0,0,0,0|1,0,0]=3 2200 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [1,1,0,0,0,0|1,0,0]=3 2201 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [1,1,0,0,0,0|2,0,0]=4 2202 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [1,1,0,0,0,0|2,0,0]=4 2203 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [1,1,0,0,0,0|2,0,0]=4 2204 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [1,1,0,0,0,0|1,1,0]=4 2205 B9R0.44 CCNC(=O)NC(C)(C)C 2708a_100015525214_100000715429 [1,1,0,0,0,0|2,0,0]=4 2206 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100000715429_100015525214 [1,1,0,0,0,0|2,0,0]=4 2207 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100015525214_100000715429 [1,1,0,0,0,0|2,0,0]=4 2208 B9R0.44 CCNC(=O)NC(C)(C)C 512a_100000715429_100015525214 [1,1,0,0,0,0|2,0,0]=4 2209 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_100000174917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2210 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_106832991635_100000182746 [1,1,0,0,0,0|2,0,0]=4 2211 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100000174917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2212 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100102657272_100000182746 [1,1,0,0,0,0|2,0,0]=4 2213 B9R0.44 CNCC(=O)NC(C)(C)C 7a_106832991635_100000182746 [1,1,0,0,0,0|2,0,0]=4 2214 B9R0.44 CNCC(=O)OC(C)(C)C 2230a_106832991635_100000183872 [1,1,0,0,0,0|2,0,0]=4 2215 B9R0.44 CNCC(=O)OC(C)(C)C 34a_100102657272_100000183872 [1,1,0,0,0,0|2,0,0]=4 2216 B9R0.44 CNCC(=O)OC(C)(C)C 7a_106832991635_100000183872 [1,1,0,0,0,0|2,0,0]=4 2217 B9R0.44 CNNC(=O)CC(C)(C)C 22a_100016993582_100000211214 [1,1,0,0,0,0|2,0,0]=4 2218 B9R0.44 CNNC(=O)CC(C)(C)O 22a_100016993582_100000693243 [1,1,0,0,0,0|2,0,0]=4 2219 B9R0.44 COCC(=O)C[Si](C)(C)C 1458a_100000210968_100000233785 [1,1,0,0,0,0|1,1,0]=4 2220 B9R0.44 COCC(=O)NC(C)(C)C 11a_100000715429_100000210968 [1,1,0,0,0,0|2,0,0]=4 2221 B9R0.44 COCC(=O)NC(C)(C)C 1626a_100000715429_100000210968 [1,1,0,0,0,0|2,0,0]=4 2222 B9R0.44 COCC(=O)NC(C)(C)C 240690a_100000715429_100000210968 [1,1,0,0,0,0|2,0,0]=4 2223 B9R0.44 COCC(=O)NC(C)(C)C 34a_100138415774_100000182746 [1,1,0,0,0,0|2,0,0]=4 2224 B9R0.44 COCC(=O)NC(C)(C)C 527a_100000715429_100000210968 [1,1,0,0,0,0|2,0,0]=4 2225 B9R0.44 COCC(=O)OC(C)(C)C 34a_100000752683_200000210301 [1,1,0,0,0,0|2,0,0]=4 2226 B9R0.44 COCC(=O)OC(C)(C)C 34a_100138415774_100000183872 [1,1,0,0,0,0|2,0,0]=4 2227 B9R0.44 CSCC(=O)C[Si](C)(C)C 1458a_100000184570_100000233785 [1,1,0,0,0,0|1,1,0]=4 2228 B9R0.44 CSCC(=O)NC(C)(C)C 11a_100000715429_100000184570 [1,1,0,0,0,0|2,0,0]=4 2229 B9R0.44 CSCC(=O)NC(C)(C)C 1626a_100000715429_100000184570 [1,1,0,0,0,0|2,0,0]=4 2230 B9R0.44 CSCC(=O)NC(C)(C)C 240690a_100000715429_100000184570 [1,1,0,0,0,0|2,0,0]=4 2231 B9R0.44 CSCC(=O)NC(C)(C)C 527a_100000715429_100000184570 [1,1,0,0,0,0|2,0,0]=4 2232 B9R0.44 CSCC(=O)NC(C)(C)C 62a_100000182746_200000210301 [1,1,0,0,0,0|2,0,0]=4 2233 B9R0.44 CSCC(=O)NC(C)(C)C 62a_200000210301_100000182746 [1,1,0,0,0,0|2,0,0]=4 2234 B9R0.44 CSCC(=O)OC(C)(C)C 62a_100000183872_200000210301 [1,1,0,0,0,0|2,0,0]=4 2235 B9R0.44 CSCC(=O)OC(C)(C)C 62a_200000210301_100000183872 [1,1,0,0,0,0|2,0,0]=4 2236 B9R0.44 C[N+](C)(C)CC(=O)CCF 1458a_100000033712_100011217306 [1,1,0,0,0,0|2,0,0]=4 2237 B9R0.44 C[N+](C)(C)CC(=O)CCO 1458a_100000033712_100000211926 [1,1,0,0,0,0|2,0,0]=4 2238 B9R0.44 C[Si](C)(C)CC(=O)CCF 1458a_100011218504_100011217306 [1,1,0,0,0,0|1,1,0]=4 2239 B9R0.44 C[Si](C)(C)CC(=O)CCO 1458a_100011216618_100000233785 [1,1,0,0,0,0|1,1,0]=4 2240 B9R0.44 C[Si](C)(C)CC(=O)CCO 1458a_100011218504_100000211926 [1,1,0,0,0,0|1,1,0]=4 2241 B9R0.58 CCCS(=O)(=O)NC(C)C 270084a_100138425928_100000211391 [1,1,0,0,0,0|2,0,0]=4 2242 B9R0.58 CCCS(=O)(=O)NC(C)C 274078a_100138425928_100000211391 [1,1,0,0,0,0|2,0,0]=4 2243 B9R0.58 CCNS(=O)(=O)CC(C)C 270084a_100015525214_100000748289 [1,1,0,0,0,0|2,0,0]=4 2244 B9R0.58 CCNS(=O)(=O)CC(C)C 274078a_100015525214_100000748289 [1,1,0,0,0,0|2,0,0]=4 2245 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [1,1,0,0,0,0|1,0,1]=4 2246 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [1,1,0,0,0,0|1,0,1]=4 2247 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [1,1,0,0,0,0|2,0,0]=4 2248 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [1,1,0,0,0,0|0,0,1]=3 2249 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [1,1,0,0,0,0|0,0,1]=3 2250 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [1,1,0,0,0,0|0,0,1]=3 2251 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [1,1,0,0,0,0|1,0,1]=4 2252 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [1,1,0,0,0,0|1,0,1]=4 2253 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [1,1,0,0,0,0|1,0,1]=4 2254 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [1,1,0,0,0,0|1,0,1]=4 2255 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [1,1,0,0,0,0|1,0,1]=4 2256 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [1,1,0,0,0,0|1,0,1]=4 2257 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [1,1,0,0,0,0|1,0,1]=4 2258 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [1,1,0,0,0,0|1,0,1]=4 2259 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [1,1,0,0,0,0|1,0,1]=4 2260 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [1,1,0,0,0,0|1,0,1]=4 2261 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [1,1,0,0,0,0|1,0,1]=4 2262 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [1,1,0,0,0,0|1,0,0]=3 2263 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [1,1,0,0,0,0|2,0,0]=4 2264 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [1,1,0,0,0,0|2,0,0]=4 2265 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [1,1,0,0,0,0|1,0,0]=3 2266 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [1,1,0,0,0,0|1,0,0]=3 2267 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [1,1,0,0,0,0|2,0,0]=4 2268 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [1,1,0,0,0,0|2,0,0]=4 2269 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [1,1,0,0,0,0|2,0,0]=4 2270 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [1,1,0,0,0,0|2,0,0]=4 2271 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [1,1,0,0,0,0|2,0,0]=4 2272 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [1,1,0,0,0,0|2,0,0]=4 2273 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [1,1,0,0,0,0|2,0,0]=4 2274 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [1,1,0,0,0,0|1,0,0]=3 2275 B9R0.1 CC(C)COCC(Cl)CCl 34a_100000033668_100000210624 [1,1,0,0,0,0|2,0,0]=4 2276 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [1,1,0,0,0,0|2,0,0]=4 2277 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [1,1,0,0,0,0|1,0,0]=3 2278 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [1,1,0,0,0,0|2,0,0]=4 2279 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [1,1,0,0,0,0|2,0,0]=4 2280 B9R0.1 CC(C)COC[C@H](F)CN 34a_100015665980_100000210624 [1,1,0,0,0,0|2,0,0]=4 2281 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [1,1,0,0,0,0|2,0,0]=4 2282 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [1,1,0,0,0,0|2,0,0]=4 2283 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [1,1,0,0,0,0|1,0,0]=3 2284 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [1,1,0,0,0,0|1,0,0]=3 2285 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [1,1,0,0,0,0|2,0,0]=4 2286 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [1,1,0,0,0,0|2,0,0]=4 2287 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [1,1,0,0,0,0|2,0,0]=4 2288 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [1,1,0,0,0,0|2,0,0]=4 2289 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [1,1,0,0,0,0|2,0,0]=4 2290 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [1,1,0,0,0,0|1,0,1]=4 2291 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [1,1,0,0,0,0|1,0,1]=4 2292 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [1,1,0,0,0,0|2,0,0]=4 2293 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [1,1,0,0,0,0|2,0,0]=4 2294 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [1,1,0,0,0,0|2,0,0]=4 2295 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [1,1,0,0,0,0|2,0,0]=4 2296 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [1,1,0,0,0,0|2,0,0]=4 2297 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [1,1,0,0,0,0|2,0,0]=4 2298 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [1,1,0,0,0,0|2,0,0]=4 2299 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [1,1,0,0,0,0|2,0,0]=4 2300 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [1,1,0,0,0,0|1,0,1]=4 2301 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [1,1,0,0,0,0|1,0,1]=4 2302 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [1,1,0,0,0,0|1,0,0]=3 2303 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [1,1,0,0,0,0|1,0,0]=3 2304 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [1,1,0,0,0,0|1,0,0]=3 2305 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [1,1,0,0,0,0|1,0,0]=3 2306 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [1,1,0,0,0,0|1,0,0]=3 2307 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [1,1,0,0,0,0|2,0,0]=4 2308 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [1,1,0,0,0,0|2,0,0]=4 2309 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [1,1,0,0,0,0|2,0,0]=4 2310 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [1,1,0,0,0,0|2,0,0]=4 2311 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [1,1,0,0,0,0|2,0,0]=4 2312 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [1,1,0,0,0,0|2,0,0]=4 2313 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [1,1,0,0,0,0|1,0,0]=3 2314 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [1,1,0,0,0,0|2,0,0]=4 2315 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [1,1,0,0,0,0|2,0,0]=4 2316 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [1,1,0,0,0,0|2,0,0]=4 2317 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [1,1,0,0,0,0|1,0,0]=3 2318 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [1,1,0,0,0,0|1,0,0]=3 2319 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [1,1,0,0,0,0|2,0,0]=4 2320 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [1,1,0,0,0,0|2,0,0]=4 2321 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [1,1,0,0,0,0|2,0,0]=4 2322 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [1,1,0,0,0,0|2,0,0]=4 2323 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [1,1,0,0,0,0|1,0,1]=4 2324 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [1,1,0,0,0,0|1,0,1]=4 2325 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,1,0,0,0,0|1,0,1]=4 2326 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,1,0,0,0,0|1,0,1]=4 2327 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,1,0,0,0,0|1,0,1]=4 2328 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [1,1,0,0,0,0|1,0,1]=4 2329 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [1,1,0,0,0,0|1,0,1]=4 2330 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [1,1,0,0,0,0|2,0,0]=4 2331 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [1,1,0,0,0,0|2,0,0]=4 2332 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [1,1,0,0,0,0|2,0,0]=4 2333 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [1,1,0,0,0,0|2,0,0]=4 2334 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [1,1,0,0,0,0|2,0,0]=4 2335 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [1,1,0,0,0,0|2,0,0]=4 2336 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [1,1,0,0,0,0|2,0,0]=4 2337 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,1,0,0,0,0|1,0,1]=4 2338 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,1,0,0,0,0|1,0,1]=4 2339 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [1,1,0,0,0,0|1,0,0]=3 2340 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [1,1,0,0,0,0|1,0,0]=3 2341 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [1,1,0,0,0,0|2,0,0]=4 2342 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [1,1,0,0,0,0|2,0,0]=4 2343 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [1,1,0,0,0,0|2,0,0]=4 2344 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [1,1,0,0,0,0|1,0,0]=3 2345 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [1,1,0,0,0,0|1,0,0]=3 2346 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [1,1,0,0,0,0|2,0,0]=4 2347 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [1,1,0,0,0,0|2,0,0]=4 2348 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [1,1,0,0,0,0|2,0,0]=4 2349 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [1,1,0,0,0,0|2,0,0]=4 2350 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [1,1,0,0,0,0|2,0,0]=4 2351 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [1,1,0,0,0,0|1,0,0]=3 2352 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [1,1,0,0,0,0|1,0,0]=3 2353 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [1,1,0,0,0,0|2,0,0]=4 2354 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [1,1,0,0,0,0|2,0,0]=4 2355 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [1,1,0,0,0,0|2,0,0]=4 2356 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [1,1,0,0,0,0|2,0,0]=4 2357 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [1,1,0,0,0,0|0,0,1]=3 2358 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [1,1,0,0,0,0|0,0,1]=3 2359 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [1,1,0,0,0,0|1,0,1]=4 2360 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [1,1,0,0,0,0|0,0,1]=3 2361 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [1,1,0,0,0,0|0,0,1]=3 2362 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [1,1,0,0,0,0|1,0,1]=4 2363 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [1,1,0,0,0,0|1,0,0]=3 2364 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [1,1,0,0,0,0|2,0,0]=4 2365 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [1,1,0,0,0,0|2,0,0]=4 2366 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [1,1,0,0,0,0|1,0,1]=4 2367 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [1,1,0,0,0,0|1,0,1]=4 2368 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [1,1,0,0,0,0|1,0,0]=3 2369 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [1,1,0,0,0,0|1,0,0]=3 2370 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [1,1,0,0,0,0|2,0,0]=4 2371 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [1,1,0,0,0,0|2,0,0]=4 2372 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [1,1,0,0,0,0|2,0,0]=4 2373 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [1,1,0,0,0,0|2,0,0]=4 2374 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [1,1,0,0,0,0|2,0,0]=4 2375 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [1,1,0,0,0,0|2,0,0]=4 2376 B9R0.7 CC(C)C(C)NC[C@@H](C)O 2230a_100000211541_100009817552 [1,1,0,0,0,0|2,0,0]=4 2377 B9R0.7 CC(C)C(C)OC[C@@H](C)O 7a_100000748068_100009817552 [1,1,0,0,0,0|2,0,0]=4 2378 B9R0.7 CC(C)C=CC(=O)C(C)C 1458a_100016268746_100000210206 [1,1,0,0,0,0|0,0,2]=4 2379 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [1,1,0,0,0,0|0,0,2]=4 2380 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [1,1,0,0,0,0|0,0,2]=4 2381 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [1,1,0,0,0,0|1,0,1]=4 2382 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [1,1,0,0,0,0|1,0,1]=4 2383 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [1,1,0,0,0,0|1,0,1]=4 2384 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [1,1,0,0,0,0|1,0,1]=4 2385 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [1,1,0,0,0,0|1,0,1]=4 2386 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [1,1,0,0,0,0|1,0,1]=4 2387 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 2388 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 2389 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 2390 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 2391 B9R0.7 CC(C)CNC(C)C(C)C 2230a_100000211541_100000210760 [1,1,0,0,0,0|1,0,0]=3 2392 B9R0.7 CC(C)CNC(C)C(C)C 270004a_100000211541_100000210432 [1,1,0,0,0,0|1,0,0]=3 2393 B9R0.7 CC(C)COC(C)C(C)C 7a_100000748068_100000210760 [1,1,0,0,0,0|1,0,0]=3 2394 B9R0.7 CC(C)NCC(O)C(C)C 2230a_100000759067_100000210206 [1,1,0,0,0,0|1,0,1]=4 2395 B9R0.7 CC(C)NCC(O)C(C)C 34a_100000759067_100000210206 [1,1,0,0,0,0|1,0,1]=4 2396 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [1,1,0,0,0,0|1,0,1]=4 2397 B9R0.7 CC(O)CNC(C)C(C)C 2230a_100000211541_100011218427 [1,1,0,0,0,0|2,0,0]=4 2398 B9R0.7 CC(O)COC(C)C(C)C 7a_100000748068_100011218427 [1,1,0,0,0,0|2,0,0]=4 2399 B9R0.56 CC(Br)COCC(C)(C)C 34a_100012180447_100011219605 [1,1,0,0,0,0|2,0,0]=4 2400 B9R0.56 CC(Br)COCC(C)(C)F 34a_100012180447_100011997219 [1,1,0,0,0,0|2,0,0]=4 2401 B9R0.56 CC(Br)COCC(C)(C)O 34a_100012180447_100000764493 [1,1,0,0,0,0|2,0,0]=4 2402 B9R0.56 CC(C)CCNC(C)(C)C 2230a_100000715429_100000210312 [1,1,0,0,0,0|1,0,1]=4 2403 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [1,1,0,0,0,0|1,0,1]=4 2404 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [1,1,0,0,0,0|1,0,1]=4 2405 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [1,1,0,0,0,0|1,0,1]=4 2406 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000210312_100000211941 [1,1,0,0,0,0|1,0,1]=4 2407 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000211941_100000210312 [1,1,0,0,0,0|1,0,1]=4 2408 B9R0.56 CC(C)CNCC(C)(C)C 2230a_100000743828_100000210760 [1,1,0,0,0,0|1,0,0]=3 2409 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000210953_100011204126 [1,1,0,0,0,0|1,0,0]=3 2410 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000743828_100000210432 [1,1,0,0,0,0|1,0,0]=3 2411 B9R0.56 CC(C)CNCC(C)(C)C 34a_100000210953_100011219605 [1,1,0,0,0,0|1,0,0]=3 2412 B9R0.56 CC(C)CNCC(C)(C)F 2230a_100020643315_100000210760 [1,1,0,0,0,0|1,0,0]=3 2413 B9R0.56 CC(C)CNCC(C)(C)F 270004a_100020643315_100000210432 [1,1,0,0,0,0|1,0,0]=3 2414 B9R0.56 CC(C)CNCC(C)(C)F 34a_100000210953_100011997219 [1,1,0,0,0,0|1,0,0]=3 2415 B9R0.56 CC(C)CNCC(C)(C)O 2230a_100000751335_100000210760 [1,1,0,0,0,0|1,0,0]=3 2416 B9R0.56 CC(C)CNCC(C)(C)O 270004a_100000751335_100000210432 [1,1,0,0,0,0|1,0,0]=3 2417 B9R0.56 CC(C)CNCC(C)(C)O 34a_100000210953_100000764493 [1,1,0,0,0,0|1,0,0]=3 2418 B9R0.56 CC(C)CNCC(C)(F)F 270004a_100000731000_100000210432 [1,1,0,0,0,0|2,0,0]=4 2419 B9R0.56 CC(C)CNC[Si](C)(C)C 2230a_100000210953_100000037933 [1,1,0,0,0,0|1,1,0]=4 2420 B9R0.56 CC(C)COCC(C)(C)C 34a_100000210257_100011219605 [1,1,0,0,0,0|1,0,0]=3 2421 B9R0.56 CC(C)COCC(C)(C)F 34a_100000210257_100011997219 [1,1,0,0,0,0|1,0,0]=3 2422 B9R0.56 CC(C)COCC(C)(C)F 34a_100000716592_100000210624 [1,1,0,0,0,0|1,0,0]=3 2423 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [1,1,0,0,0,0|1,0,0]=3 2424 B9R0.56 CC(C)COCC(C)(F)F 34a_100000068830_100000210624 [1,1,0,0,0,0|2,0,0]=4 2425 B9R0.56 CC(C)CSCC(C)(C)C 62a_100000210624_100011219605 [1,1,0,0,0,0|1,0,0]=3 2426 B9R0.56 CC(C)CSCC(C)(C)C 62a_100011219605_100000210760 [1,1,0,0,0,0|1,0,0]=3 2427 B9R0.56 CC(C)CSCC(C)(C)F 62a_100000210624_100011997219 [1,1,0,0,0,0|1,0,0]=3 2428 B9R0.56 CC(C)CSCC(C)(C)F 62a_100011997219_100000210760 [1,1,0,0,0,0|1,0,0]=3 2429 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000210624_100000764493 [1,1,0,0,0,0|1,0,0]=3 2430 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000764493_100000210760 [1,1,0,0,0,0|1,0,0]=3 2431 B9R0.56 CC(C)CSC[N+](C)(C)C 62a_100000210624_200000036245 [1,1,0,0,0,0|2,0,0]=4 2432 B9R0.56 CC(C)CSC[N+](C)(C)C 62a_200000036245_100000210760 [1,1,0,0,0,0|2,0,0]=4 2433 B9R0.56 CC(C)CSC[Si](C)(C)C 62a_100000037933_100000210760 [1,1,0,0,0,0|1,1,0]=4 2434 B9R0.56 CC(C)CSC[Si](C)(C)C 62a_100000210624_100000037933 [1,1,0,0,0,0|1,1,0]=4 2435 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100000738805_100000210206 [1,1,0,0,0,0|1,0,1]=4 2436 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100138425928_100000755188 [1,1,0,0,0,0|1,0,1]=4 2437 B9R0.56 CC(C)NCCC(C)(C)C 34a_100138425928_100000755188 [1,1,0,0,0,0|1,0,1]=4 2438 B9R0.56 CC(C)NCCC(C)(C)F 2230a_100016253952_100000210206 [1,1,0,0,0,0|1,0,1]=4 2439 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [1,1,0,0,0,0|1,0,1]=4 2440 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [1,1,0,0,0,0|1,0,1]=4 2441 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [1,1,0,0,0,0|1,0,1]=4 2442 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [1,1,0,0,0,0|1,0,1]=4 2443 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [1,1,0,0,0,0|1,0,1]=4 2444 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000210206_100000755188 [1,1,0,0,0,0|1,0,1]=4 2445 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000755188_100000210206 [1,1,0,0,0,0|1,0,1]=4 2446 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [1,1,0,0,0,0|1,0,1]=4 2447 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [1,1,0,0,0,0|1,0,1]=4 2448 B9R0.56 CC(F)COCC(C)(C)C 34a_100015925927_100011219605 [1,1,0,0,0,0|2,0,0]=4 2449 B9R0.56 CC(F)COCC(C)(C)F 34a_100015925927_100011997219 [1,1,0,0,0,0|2,0,0]=4 2450 B9R0.56 CC(F)COCC(C)(C)O 34a_100015925927_100000764493 [1,1,0,0,0,0|2,0,0]=4 2451 B9R0.56 CC(O)CNCC(C)(C)C 2230a_100000743828_100011218427 [1,1,0,0,0,0|2,0,0]=4 2452 B9R0.56 CC(O)CNCC(C)(C)C 270004a_100000210904_100011204126 [1,1,0,0,0,0|2,0,0]=4 2453 B9R0.56 CC(O)CNCC(C)(C)C 34a_100000210904_100011219605 [1,1,0,0,0,0|2,0,0]=4 2454 B9R0.56 CC(O)CNCC(C)(C)F 2230a_100020643315_100011218427 [1,1,0,0,0,0|2,0,0]=4 2455 B9R0.56 CC(O)CNCC(C)(C)F 34a_100000210904_100011997219 [1,1,0,0,0,0|2,0,0]=4 2456 B9R0.56 CC(O)CNCC(C)(C)O 2230a_100000751335_100011218427 [1,1,0,0,0,0|2,0,0]=4 2457 B9R0.56 CC(O)CNCC(C)(C)O 34a_100000210904_100000764493 [1,1,0,0,0,0|2,0,0]=4 2458 B9R0.56 CC(O)COCC(C)(C)F 34a_100000716592_100011218427 [1,1,0,0,0,0|2,0,0]=4 2459 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011218427_100011219605 [1,1,0,0,0,0|2,0,0]=4 2460 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011219605_100011218427 [1,1,0,0,0,0|2,0,0]=4 2461 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011218427_100011997219 [1,1,0,0,0,0|2,0,0]=4 2462 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011997219_100011218427 [1,1,0,0,0,0|2,0,0]=4 2463 B9R0.56 CC(O)CSCC(C)(C)O 62a_100000764493_100011218427 [1,1,0,0,0,0|2,0,0]=4 2464 B9R0.56 CC(O)CSCC(C)(C)O 62a_100011218427_100000764493 [1,1,0,0,0,0|2,0,0]=4 2465 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [1,1,0,0,0,0|1,0,1]=4 2466 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [1,1,0,0,0,0|1,0,1]=4 2467 B9R0.56 C[C@@H](Cl)COCC(C)(C)C 34a_100016084084_100011219605 [1,1,0,0,0,0|2,0,0]=4 2468 B9R0.56 C[C@@H](Cl)COCC(C)(C)F 34a_100016084084_100011997219 [1,1,0,0,0,0|2,0,0]=4 2469 B9R0.56 C[C@@H](Cl)COCC(C)(C)O 34a_100016084084_100000764493 [1,1,0,0,0,0|2,0,0]=4 2470 B9R0.56 C[C@@H](N)COCC(C)(C)C 34a_100000737577_100011219605 [1,1,0,0,0,0|2,0,0]=4 2471 B9R0.56 C[C@@H](N)COCC(C)(C)F 34a_100000737577_100011997219 [1,1,0,0,0,0|2,0,0]=4 2472 B9R0.56 C[C@@H](N)COCC(C)(C)O 34a_100000737577_100000764493 [1,1,0,0,0,0|2,0,0]=4 2473 B9R0.56 C[C@@H](O)CNCC(C)(C)C 2230a_100000743828_100009817552 [1,1,0,0,0,0|2,0,0]=4 2474 B9R0.56 C[C@@H](O)CNCC(C)(C)F 2230a_100020643315_100009817552 [1,1,0,0,0,0|2,0,0]=4 2475 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2230a_100000751335_100009817552 [1,1,0,0,0,0|2,0,0]=4 2476 B9R0.56 C[C@@H](O)COCC(C)(C)F 34a_100000716592_100009817552 [1,1,0,0,0,0|2,0,0]=4 2477 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100009817552_100011219605 [1,1,0,0,0,0|2,0,0]=4 2478 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100011219605_100009817552 [1,1,0,0,0,0|2,0,0]=4 2479 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100009817552_100011997219 [1,1,0,0,0,0|2,0,0]=4 2480 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100011997219_100009817552 [1,1,0,0,0,0|2,0,0]=4 2481 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100009817552 [1,1,0,0,0,0|2,0,0]=4 2482 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100009817552_100000764493 [1,1,0,0,0,0|2,0,0]=4 2483 B9R0.10 C=C(C)CC(=O)C(C)(C)C 1458a_106744555173_100000748629 [0,1,0,0,1,0|0,0,2]=4 2484 B9R0.10 C=C(C)CC(=O)C(C)(C)F 1458a_100000765255_100000748629 [0,1,0,0,1,0|0,0,2]=4 2485 B9R0.10 C=C(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748629 [0,1,0,0,1,0|0,0,2]=4 2486 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1458a_100000070787_100000210923 [0,1,0,0,1,0|1,0,1]=4 2487 B9R0.10 CC(C)(C)C(=O)CC(F)F 1458a_106744555173_100011934356 [0,1,0,0,1,0|2,0,0]=4 2488 B9R0.10 CC(C)(F)C(=O)CC(F)F 1458a_100000765255_100011934356 [0,1,0,0,1,0|2,0,0]=4 2489 B9R0.10 CC(C)(O)C(=O)CC(F)F 1458a_100000242741_100011934356 [0,1,0,0,1,0|2,0,0]=4 2490 B9R0.10 CC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000210624 [0,1,0,0,1,0|0,0,0]=2 2491 B9R0.10 CC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000210624 [0,1,0,0,1,0|0,0,0]=2 2492 B9R0.10 CC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000210624 [0,1,0,0,1,0|0,0,0]=2 2493 B9R0.10 CC(C)CC(=O)C(F)(F)F 1458a_100000210554_200000243211 [0,1,0,0,1,0|2,0,0]=4 2494 B9R0.10 CC(C)CC(=O)C(F)(F)F 1458a_100015355933_100000210624 [0,1,0,0,1,0|2,0,0]=4 2495 B9R0.10 CC(C)CN(C)C(C)(C)C 2230a_100015183297_200000210301 [0,1,0,0,1,0|2,0,0]=4 2496 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100000747067_100000210625 [0,1,0,0,1,0|2,0,0]=4 2497 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100011215553_100000210624 [0,1,0,0,1,0|2,0,0]=4 2498 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100015183297_200000210301 [0,1,0,0,1,0|2,0,0]=4 2499 B9R0.10 CC(C)CN(C)C(C)(C)C 270004a_100011215553_100000210432 [0,1,0,0,1,0|2,0,0]=4 2500 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 2230a_100015183297_200025704644 [0,1,0,0,1,0|2,0,0]=4 2501 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 269982a_100015183297_200025704644 [0,1,0,0,1,0|2,0,0]=4 2502 B9R0.10 CC(C)NC(=O)C(C)(C)C 11a_100138425928_106744555173 [0,1,0,0,1,0|1,0,0]=3 2503 B9R0.10 CC(C)NC(=O)C(C)(C)C 1626a_100138425928_106744555173 [0,1,0,0,1,0|1,0,0]=3 2504 B9R0.10 CC(C)NC(=O)C(C)(C)C 240690a_100138425928_106744555173 [0,1,0,0,1,0|1,0,0]=3 2505 B9R0.10 CC(C)NC(=O)C(C)(C)C 527a_100138425928_106744555173 [0,1,0,0,1,0|1,0,0]=3 2506 B9R0.10 CC(C)NC(=O)C(C)(C)F 11a_100138425928_100000765255 [0,1,0,0,1,0|1,0,0]=3 2507 B9R0.10 CC(C)NC(=O)C(C)(C)F 1626a_100138425928_100000765255 [0,1,0,0,1,0|1,0,0]=3 2508 B9R0.10 CC(C)NC(=O)C(C)(C)F 240690a_100138425928_100000765255 [0,1,0,0,1,0|1,0,0]=3 2509 B9R0.10 CC(C)NC(=O)C(C)(C)F 527a_100138425928_100000765255 [0,1,0,0,1,0|1,0,0]=3 2510 B9R0.10 CC(C)NC(=O)C(C)(C)O 240690a_100138425928_100000242741 [0,1,0,0,1,0|1,0,0]=3 2511 B9R0.10 CC(C)NC(=O)C(C)(F)F 11a_100138425928_100000042251 [0,1,0,0,1,0|2,0,0]=4 2512 B9R0.10 CC(C)NC(=O)C(C)(F)F 1626a_100138425928_100000042251 [0,1,0,0,1,0|2,0,0]=4 2513 B9R0.10 CC(C)NC(=O)C(C)(F)F 240690a_100138425928_100000042251 [0,1,0,0,1,0|2,0,0]=4 2514 B9R0.10 CC(C)NC(=O)C(C)(F)F 527a_100138425928_100000042251 [0,1,0,0,1,0|2,0,0]=4 2515 B9R0.10 CC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218427 [0,1,0,0,1,0|1,0,0]=3 2516 B9R0.10 CC(O)CC(=O)C(C)(C)F 1458a_100000765255_100011218427 [0,1,0,0,1,0|1,0,0]=3 2517 B9R0.10 CC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218427 [0,1,0,0,1,0|1,0,0]=3 2518 B9R0.10 CN(C)CC(=O)C(C)(C)C 269982a_100102631434_100000210923 [0,1,0,0,1,0|1,0,0]=3 2519 B9R0.11 CC(C)CS(=O)(=O)N(C)C 270084a_100102631434_100000748289 [0,1,0,0,1,0|2,0,0]=4 2520 B9R0.11 CC(C)CS(=O)(=O)N(C)C 274078a_100102631434_100000748289 [0,1,0,0,1,0|2,0,0]=4 2521 B9R0.11 CC(C)NS(=O)(=O)C(C)C 270084a_100138425928_100000742656 [0,1,0,0,1,0|2,0,0]=4 2522 B9R0.11 CC(C)NS(=O)(=O)C(C)C 274078a_100138425928_100000742656 [0,1,0,0,1,0|2,0,0]=4 2523 B9R0.39 CC(C)CC(O[13CH3])C(C)C 34a_200011219802_200025704644 [0,1,0,0,1,0|0,0,2]=4 2524 B9R0.39 CC(C)CC(O[13CH3])C(C)C 7a_200011219802_200025704644 [0,1,0,0,1,0|0,0,2]=4 2525 B9R0.39 CC(C)CN(CF)C(C)C 269982a_100000737641_100015361967 [0,1,0,0,1,0|2,0,0]=4 2526 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000223864_100000210760 [0,1,0,0,1,0|2,0,0]=4 2527 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000737641_100000210202 [0,1,0,0,1,0|2,0,0]=4 2528 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000738554_100000210206 [0,1,0,0,1,0|2,0,0]=4 2529 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000223864_100000210624 [0,1,0,0,1,0|2,0,0]=4 2530 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000737641_100000204670 [0,1,0,0,1,0|2,0,0]=4 2531 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000738554_100000210206 [0,1,0,0,1,0|2,0,0]=4 2532 B9R0.39 CCN(CC(C)C)C(C)C 270004a_100000223864_100000210432 [0,1,0,0,1,0|2,0,0]=4 2533 B9R0.39 COC(CC(C)C)C(C)C 34a_200011219802_200000210301 [0,1,0,0,1,0|0,0,2]=4 2534 B9R0.39 COC(CC(C)C)C(C)C 7a_200011219802_200000210301 [0,1,0,0,1,0|0,0,2]=4 2535 B9R0.42 C#CC(C)NC(=O)C(C)C 11a_100000707721_100000210198 [0,1,0,0,1,0|1,0,1]=4 2536 B9R0.42 C#CC(C)NC(=O)C(C)C 1626a_100000707721_100000210198 [0,1,0,0,1,0|1,0,1]=4 2537 B9R0.42 C#CC(C)NC(=O)C(C)C 240690a_100000707721_100000210198 [0,1,0,0,1,0|1,0,1]=4 2538 B9R0.42 C#CC(C)NC(=O)C(C)C 527a_100000707721_100000210198 [0,1,0,0,1,0|1,0,1]=4 2539 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,0,0,1,0|0,0,2]=4 2540 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,0,0,1,0|0,0,2]=4 2541 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,1,0,0,1,0|0,0,2]=4 2542 B9R0.42 C=CC(C)CC(=O)C(C)C 1458a_100011934298_100000210206 [0,1,0,0,1,0|0,0,1]=3 2543 B9R0.42 C=CC(C)CC(=O)N(C)C 11a_100102631434_100011934298 [0,1,0,0,1,0|1,0,1]=4 2544 B9R0.42 C=CC(C)CC(=O)N(C)C 1626a_100102631434_100011934298 [0,1,0,0,1,0|1,0,1]=4 2545 B9R0.42 C=CC(C)CC(=O)N(C)C 240690a_100102631434_100011934298 [0,1,0,0,1,0|1,0,1]=4 2546 B9R0.42 C=CC(C)CC(=O)N(C)C 527a_100102631434_100011934298 [0,1,0,0,1,0|1,0,1]=4 2547 B9R0.42 CC(C#N)NC(=O)C(C)C 11a_100000737613_100000210198 [0,1,0,0,1,0|1,0,1]=4 2548 B9R0.42 CC(C#N)NC(=O)C(C)C 1626a_100000737613_100000210198 [0,1,0,0,1,0|1,0,1]=4 2549 B9R0.42 CC(C#N)NC(=O)C(C)C 527a_100000737613_100000210198 [0,1,0,0,1,0|1,0,1]=4 2550 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,1,0,0,1,0|1,0,1]=4 2551 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,1,0,0,1,0|0,0,0]=2 2552 B9R0.42 CC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000210198 [0,1,0,0,1,0|1,0,0]=3 2553 B9R0.42 CC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000210198 [0,1,0,0,1,0|1,0,0]=3 2554 B9R0.42 CC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000210198 [0,1,0,0,1,0|1,0,0]=3 2555 B9R0.42 CC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000210198 [0,1,0,0,1,0|1,0,0]=3 2556 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [0,1,0,0,1,0|1,0,0]=3 2557 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [0,1,0,0,1,0|1,0,0]=3 2558 B9R0.42 CC(C)N(C)C[C@@H](C)CO 269982a_200000211004_100000059175 [0,1,0,0,1,0|2,0,0]=4 2559 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,1,0,0,1,0|1,0,0]=3 2560 B9R0.42 CC(F)C(=O)N[C@H](C)CF 11a_100102880703_100000062450 [0,1,0,0,1,0|2,0,0]=4 2561 B9R0.42 CC(F)C(=O)N[C@H](C)CF 1626a_100102880703_100000062450 [0,1,0,0,1,0|2,0,0]=4 2562 B9R0.42 CC(F)C(=O)N[C@H](C)CF 240690a_100102880703_100000062450 [0,1,0,0,1,0|2,0,0]=4 2563 B9R0.42 CC(F)C(=O)N[C@H](C)CF 527a_100102880703_100000062450 [0,1,0,0,1,0|2,0,0]=4 2564 B9R0.42 CC(F)C(=O)N[C@H](C)CO 240690a_100000737577_100000062450 [0,1,0,0,1,0|2,0,0]=4 2565 B9R0.42 CC(F)C(=O)N[C@H](C)CO 527a_100000737577_100000062450 [0,1,0,0,1,0|2,0,0]=4 2566 B9R0.42 CCC(=CC(=O)C(C)C)C 1458a_100020758463_100000210206 [0,1,0,0,1,0|0,0,2]=4 2567 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,1,0,0,1,0|1,0,1]=4 2568 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,1,0,0,1,0|1,0,1]=4 2569 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,1,0,0,1,0|0,0,0]=2 2570 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,1,0,0,1,0|0,0,0]=2 2571 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,1,0,0,1,0|1,0,0]=3 2572 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,0,0,1,0|2,0,0]=4 2573 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,1,0,0,1,0|1,0,0]=3 2574 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,1,0,0,1,0|1,0,0]=3 2575 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,1,0,0,1,0|1,0,0]=3 2576 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,1,0,0,1,0|1,0,0]=3 2577 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,0,0,1,0|1,0,0]=3 2578 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,0,0,1,0|1,0,0]=3 2579 B9R0.42 CCC(C)CN(C)C(C)C 2230a_100000753921_100000210206 [0,1,0,0,1,0|2,0,0]=4 2580 B9R0.42 CCC(C)CN(C)C(C)C 269982a_100000753921_100000210206 [0,1,0,0,1,0|2,0,0]=4 2581 B9R0.42 CCC(C)CN(C)C(C)C 269982a_200000211004_100000748023 [0,1,0,0,1,0|2,0,0]=4 2582 B9R0.42 CCC(C)CN(C)C(C)C 270004a_200000211004_100000243153 [0,1,0,0,1,0|2,0,0]=4 2583 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,1,0,0,1,0|1,0,0]=3 2584 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,1,0,0,1,0|1,0,0]=3 2585 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,1,0,0,1,0|1,0,0]=3 2586 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,1,0,0,1,0|1,0,0]=3 2587 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [0,1,0,0,1,0|2,0,0]=4 2588 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [0,1,0,0,1,0|2,0,0]=4 2589 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [0,1,0,0,1,0|2,0,0]=4 2590 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [0,1,0,0,1,0|2,0,0]=4 2591 B9R0.42 CCC(C)NC(=O)N(C)C 2708a_100000209981_100102631434 [0,1,0,0,1,0|2,0,0]=4 2592 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,1,0,0,1,0|2,0,0]=4 2593 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,1,0,0,1,0|2,0,0]=4 2594 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,1,0,0,1,0|2,0,0]=4 2595 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,1,0,0,1,0|1,0,0]=3 2596 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,1,0,0,1,0|1,0,0]=3 2597 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,1,0,0,1,0|2,0,0]=4 2598 B9R0.42 CCC(O)CC(=O)N(C)C 1626a_100102631434_100011667805 [0,1,0,0,1,0|2,0,0]=4 2599 B9R0.42 CCC(O)CC(=O)N(C)C 240690a_100102631434_100011667805 [0,1,0,0,1,0|2,0,0]=4 2600 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,1,0,0,1,0|2,0,0]=4 2601 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,1,0,0,1,0|2,0,0]=4 2602 B9R0.42 CCN(C)CC(=O)C(C)C 1458a_100116209913_100000210206 [0,1,0,0,1,0|1,0,0]=3 2603 B9R0.42 CCN(C)CC(=O)C(C)C 2230a_100000225621_100000753385 [0,1,0,0,1,0|1,0,0]=3 2604 B9R0.42 CCN(C)CC(=O)C(C)C 269982a_100000225621_100000753385 [0,1,0,0,1,0|1,0,0]=3 2605 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000185065_100000210202 [0,1,0,0,1,0|2,0,0]=4 2606 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000225621_100000185267 [0,1,0,0,1,0|2,0,0]=4 2607 B9R0.42 CCN(C)CC(=O)N(C)C 240690a_100102631434_100116209913 [0,1,0,0,1,0|2,0,0]=4 2608 B9R0.42 CCN(C)CC(=O)N(C)C 269982a_100000225621_100000185267 [0,1,0,0,1,0|2,0,0]=4 2609 B9R0.42 CCN(C)CC(=O)N(C)C 527a_100102631434_100116209913 [0,1,0,0,1,0|2,0,0]=4 2610 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,1,0,0,1,0|0,0,0]=2 2611 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,1,0,0,1,0|1,0,0]=3 2612 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,0,0,1,0|2,0,0]=4 2613 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,0,0,1,0|1,0,0]=3 2614 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,0,0,1,0|1,0,0]=3 2615 B9R0.42 CC[C@H](C)CN(C)C(C)C 269982a_200000211004_100009816398 [0,1,0,0,1,0|2,0,0]=4 2616 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,1,0,0,1,0|1,0,1]=4 2617 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,1,0,0,1,0|1,0,1]=4 2618 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,1,0,0,1,0|1,0,1]=4 2619 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,1,0,0,1,0|2,0,0]=4 2620 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,1,0,0,1,0|1,0,0]=3 2621 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,1,0,0,1,0|1,0,0]=3 2622 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [0,1,0,0,1,0|2,0,0]=4 2623 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [0,1,0,0,1,0|2,0,0]=4 2624 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [0,1,0,0,1,0|2,0,0]=4 2625 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,1,0,0,1,0|2,0,0]=4 2626 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,1,0,0,1,0|2,0,0]=4 2627 B9R0.57 CC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000210206 [0,1,0,0,1,0|0,0,0]=2 2628 B9R0.57 CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000210206 [0,1,0,0,1,0|0,0,0]=2 2629 B9R0.57 CC(C)C(=O)CC(F)(F)F 1458a_100000245130_100000210206 [0,1,0,0,1,0|2,0,0]=4 2630 B9R0.57 CC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000210206 [0,1,0,0,1,0|2,0,0]=4 2631 B9R0.57 CC(C)C(=O)C[N+](C)(C)C 1458a_100000033712_100000210206 [0,1,0,0,1,0|1,0,0]=3 2632 B9R0.57 CC(C)C(=O)C[Si](C)(C)C 1458a_100000210198_100000233785 [0,1,0,0,1,0|0,1,0]=3 2633 B9R0.57 CC(C)C(=O)C[Si](C)(C)C 1458a_100011218504_100000210206 [0,1,0,0,1,0|0,1,0]=3 2634 B9R0.57 CC(C)C(=O)NC(C)(C)C 11a_100000715429_100000210198 [0,1,0,0,1,0|1,0,0]=3 2635 B9R0.57 CC(C)C(=O)NC(C)(C)C 1626a_100000715429_100000210198 [0,1,0,0,1,0|1,0,0]=3 2636 B9R0.57 CC(C)C(=O)NC(C)(C)C 240690a_100000715429_100000210198 [0,1,0,0,1,0|1,0,0]=3 2637 B9R0.57 CC(C)C(=O)NC(C)(C)C 527a_100000715429_100000210198 [0,1,0,0,1,0|1,0,0]=3 2638 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_100000742839_100000210206 [0,1,0,0,1,0|2,0,0]=4 2639 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_107254826865_200000210301 [0,1,0,0,1,0|2,0,0]=4 2640 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_100000742839_100000210206 [0,1,0,0,1,0|2,0,0]=4 2641 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_107254826865_200000210301 [0,1,0,0,1,0|2,0,0]=4 2642 B9R0.57 CC(C)N(C)CC(C)(C)C 270004a_200000211004_100011204126 [0,1,0,0,1,0|2,0,0]=4 2643 B9R0.57 CC(C)N(C)CC(C)(C)O 2230a_100000755907_100000210206 [0,1,0,0,1,0|2,0,0]=4 2644 B9R0.57 CC(C)N(C)CC(C)(C)O 269982a_100000755907_100000210206 [0,1,0,0,1,0|2,0,0]=4 2645 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 2230a_107254826865_200025704644 [0,1,0,0,1,0|2,0,0]=4 2646 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 269982a_107254826865_200025704644 [0,1,0,0,1,0|2,0,0]=4 2647 B9R0.57 CC(F)C(=O)C[Si](C)(C)C 1458a_100000062450_100000233785 [0,1,0,0,1,0|1,1,0]=4 2648 B9R0.57 CC(F)C(=O)NC(C)(C)C 11a_100000715429_100000062450 [0,1,0,0,1,0|2,0,0]=4 2649 B9R0.57 CC(F)C(=O)NC(C)(C)C 1626a_100000715429_100000062450 [0,1,0,0,1,0|2,0,0]=4 2650 B9R0.57 CC(F)C(=O)NC(C)(C)C 240690a_100000715429_100000062450 [0,1,0,0,1,0|2,0,0]=4 2651 B9R0.57 CC(F)C(=O)NC(C)(C)C 527a_100000715429_100000062450 [0,1,0,0,1,0|2,0,0]=4 2652 B9R0.57 CN(C)C(=O)CC(C)(C)C 11a_100102631434_100000211214 [0,1,0,0,1,0|1,0,0]=3 2653 B9R0.57 CN(C)C(=O)CC(C)(C)C 1626a_100102631434_100000211214 [0,1,0,0,1,0|1,0,0]=3 2654 B9R0.57 CN(C)C(=O)CC(C)(C)C 240690a_100102631434_100000211214 [0,1,0,0,1,0|1,0,0]=3 2655 B9R0.57 CN(C)C(=O)CC(C)(C)C 527a_100102631434_100000211214 [0,1,0,0,1,0|1,0,0]=3 2656 B9R0.57 CN(C)C(=O)CC(C)(C)O 527a_100102631434_100000693243 [0,1,0,0,1,0|1,0,0]=3 2657 B9R0.57 CN(C)C(=O)C[N+](C)(C)C 11a_100102631434_100000033712 [0,1,0,0,1,0|2,0,0]=4 2658 B9R0.57 CN(C)C(=O)C[N+](C)(C)C 1626a_100102631434_100000033712 [0,1,0,0,1,0|2,0,0]=4 2659 B9R0.57 CN(C)C(=O)C[N+](C)(C)C 240690a_100102631434_100000033712 [0,1,0,0,1,0|2,0,0]=4 2660 B9R0.57 CN(C)C(=O)C[N+](C)(C)C 527a_100102631434_100000033712 [0,1,0,0,1,0|2,0,0]=4 2661 B9R0.57 CN(C)C(=O)C[Si](C)(C)C 11a_100102631434_100011218504 [0,1,0,0,1,0|1,1,0]=4 2662 B9R0.57 CN(C)C(=O)C[Si](C)(C)C 1626a_100102631434_100011218504 [0,1,0,0,1,0|1,1,0]=4 2663 B9R0.57 C[C@@H](O)C(=O)C[Si](C)(C)C 1458a_100000717761_100000233785 [0,1,0,0,1,0|1,1,0]=4 2664 B9R0.57 C[C@@H](O)C(=O)NC(C)(C)C 240690a_100000715429_100000717761 [0,1,0,0,1,0|2,0,0]=4 2665 B9R0.57 C[C@H](O)C(=O)C[Si](C)(C)C 1458a_217856618621_100000233785 [0,1,0,0,1,0|1,1,0]=4 2666 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 1626a_100000715429_217856618621 [0,1,0,0,1,0|2,0,0]=4 2667 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 240690a_100000715429_217856618621 [0,1,0,0,1,0|2,0,0]=4 2668 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,1,0,0,1,0|1,0,1]=4 2669 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,1,0,0,1,0|1,0,1]=4 2670 B9R0.79 CC(C(=O)N(C)C)N(C)C 2230a_100102631434_100000209910 [0,1,0,0,1,0|2,0,0]=4 2671 B9R0.79 CC(C(=O)N(C)C)N(C)C 269982a_100102631434_100000209910 [0,1,0,0,1,0|2,0,0]=4 2672 B9R0.79 CC(C)C(=O)C(=O)N(C)C 1458a_100011218876_100000210206 [0,1,0,0,1,0|1,0,1]=4 2673 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,1,0,0,1,0|0,0,0]=2 2674 B9R0.79 CC(C)C(=O)C(C)N(C)C 2230a_100102631434_100009893295 [0,1,0,0,1,0|1,0,0]=3 2675 B9R0.79 CC(C)C(=O)C(C)N(C)C 269982a_100102631434_100009893295 [0,1,0,0,1,0|1,0,0]=3 2676 B9R0.79 CC(C)C(=O)N(C)C(C)C 11a_200000211004_100000210198 [0,1,0,0,1,0|1,0,0]=3 2677 B9R0.79 CC(C)C(=O)N(C)C(C)C 1626a_200000211004_100000210198 [0,1,0,0,1,0|1,0,0]=3 2678 B9R0.79 CC(C)C(=O)N(C)C(C)C 240690a_200000211004_100000210198 [0,1,0,0,1,0|1,0,0]=3 2679 B9R0.79 CC(C)C(=O)N(C)C(C)C 527a_200000211004_100000210198 [0,1,0,0,1,0|1,0,0]=3 2680 B9R0.79 CC(C)C(=O)[C@H](C)N(C)C 1458a_100009822176_100000210206 [0,1,0,0,1,0|1,0,0]=3 2681 B9R0.79 CC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000210206 [0,1,0,0,1,0|0,0,0]=2 2682 B9R0.79 CC(C)C(C)C(=O)N(C)C 11a_100102631434_100000755409 [0,1,0,0,1,0|1,0,0]=3 2683 B9R0.79 CC(C)C(C)C(=O)N(C)C 1626a_100102631434_100000755409 [0,1,0,0,1,0|1,0,0]=3 2684 B9R0.79 CC(C)C(C)C(=O)N(C)C 240690a_100102631434_100000755409 [0,1,0,0,1,0|1,0,0]=3 2685 B9R0.79 CC(C)C(C)C(=O)N(C)C 527a_100102631434_100000755409 [0,1,0,0,1,0|1,0,0]=3 2686 B9R0.79 CC(C)C(C)N(C)C(C)C 2230a_100000228512_100000210206 [0,1,0,0,1,0|2,0,0]=4 2687 B9R0.79 CC(C)C(C)N(C)C(C)C 269982a_100000228512_100000210206 [0,1,0,0,1,0|2,0,0]=4 2688 B9R0.79 CC(C)N(C)C(=O)[C@@H](C)O 240690a_200000211004_100000717761 [0,1,0,0,1,0|2,0,0]=4 2689 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 1626a_200000211004_217856618621 [0,1,0,0,1,0|2,0,0]=4 2690 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 240690a_200000211004_217856618621 [0,1,0,0,1,0|2,0,0]=4 2691 B9R0.79 CC(C)[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000691806 [0,1,0,0,1,0|1,0,0]=3 2692 B9R0.79 CC(F)C(=O)N(C)C(C)C 11a_200000211004_100000062450 [0,1,0,0,1,0|2,0,0]=4 2693 B9R0.79 CC(F)C(=O)N(C)C(C)C 1626a_200000211004_100000062450 [0,1,0,0,1,0|2,0,0]=4 2694 B9R0.79 CC(F)C(=O)N(C)C(C)C 240690a_200000211004_100000062450 [0,1,0,0,1,0|2,0,0]=4 2695 B9R0.79 CC(F)C(=O)N(C)C(C)C 527a_200000211004_100000062450 [0,1,0,0,1,0|2,0,0]=4 2696 B9R0.79 C[C@@H](C(=O)N(C)C)N(C)C 240690a_100102631434_100009822176 [0,1,0,0,1,0|2,0,0]=4 2697 B9R0.79 C[C@@H](C(=O)N(C)C)N(C)C 527a_100102631434_100009822176 [0,1,0,0,1,0|2,0,0]=4 2698 B11R0.33 C=C(C)CC(=O)CN(C)C(C)C 1458a_100000743827_100000748629 [0,1,0,0,0,1|0,0,2]=4 2699 B11R0.33 CC(=CC(=O)CC(=O)C(C)C)C 1458a_100000211388_100000753385 [0,1,0,0,0,1|0,0,2]=4 2700 B11R0.33 CC(=CC(=O)NC(C)C(C)C)C 11a_100000211541_100000211388 [0,1,0,0,0,1|0,0,2]=4 2701 B11R0.33 CC(=CC(=O)NC(C)C(C)C)C 1626a_100000211541_100000211388 [0,1,0,0,0,1|0,0,2]=4 2702 B11R0.33 CC(=CC(=O)NC(C)C(C)C)C 240690a_100000211541_100000211388 [0,1,0,0,0,1|0,0,2]=4 2703 B11R0.33 CC(=O)C(=O)CC(=O)CC(C)C 1458a_100000210554_100011261029 [0,1,0,0,0,1|1,0,1]=4 2704 B11R0.33 CC(=O)N(C)CC(=O)CC(C)C 1458a_100000194957_100000210624 [0,1,0,0,0,1|1,0,1]=4 2705 B11R0.33 CC(C)C(=O)CC(=O)CN(C)C 1458a_100000750896_100000753385 [0,1,0,0,0,1|1,0,0]=3 2706 B11R0.33 CC(C)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000753385 [0,1,0,0,0,1|1,0,0]=3 2707 B11R0.33 CC(C)C(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000753385 [0,1,0,0,0,1|1,0,0]=3 2708 B11R0.33 CC(C)C(C)NC(=O)CN(C)C 11a_100000211541_100000750896 [0,1,0,0,0,1|1,0,0]=3 2709 B11R0.33 CC(C)C(C)NC(=O)CN(C)C 240690a_100000211541_100000750896 [0,1,0,0,0,1|1,0,0]=3 2710 B11R0.33 CC(C)C(C)NC(=O)CN(C)C 527a_100000211541_100000750896 [0,1,0,0,0,1|1,0,0]=3 2711 B11R0.33 CC(C)C(C)NC(=O)C[C@@H](C)O 240690a_100000211541_100011933948 [0,1,0,0,0,1|1,0,0]=3 2712 B11R0.33 CC(C)C(C)NC(=O)C[S+](C)C 11a_100000211541_200159257847 [0,1,0,0,0,1|1,0,0]=3 2713 B11R0.33 CC(C)C(C)NC(=O)C[S+](C)C 1626a_100000211541_200159257847 [0,1,0,0,0,1|1,0,0]=3 2714 B11R0.33 CC(C)C(C)NC(=O)C[S+](C)C 240690a_100000211541_200159257847 [0,1,0,0,0,1|1,0,0]=3 2715 B11R0.33 CC(C)C(C)NC(=O)C[S+](C)C 527a_100000211541_200159257847 [0,1,0,0,0,1|1,0,0]=3 2716 B11R0.33 CC(C)CC(=O)CC(=O)C(C)C 1458a_100000210554_100000753385 [0,1,0,0,0,1|0,0,0]=2 2717 B11R0.33 CC(C)CC(=O)CC(=O)N(C)C 1458a_100000210554_100000185267 [0,1,0,0,0,1|1,0,0]=3 2718 B11R0.33 CC(C)CC(=O)CC(C)N(C)C 1458a_100011311895_100000210624 [0,1,0,0,0,1|1,0,0]=3 2719 B11R0.33 CC(C)CC(=O)CN(C)C(C)C 1458a_100000743827_100000210624 [0,1,0,0,0,1|0,0,0]=2 2720 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 11a_100000211541_100000210554 [0,1,0,0,0,1|0,0,0]=2 2721 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 1626a_100000211541_100000210554 [0,1,0,0,0,1|0,0,0]=2 2722 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 240690a_100000211541_100000210554 [0,1,0,0,0,1|0,0,0]=2 2723 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 527a_100000211541_100000210554 [0,1,0,0,0,1|0,0,0]=2 2724 B11R0.33 CC(C)CC(C)NC(C)C(C)C 2230a_100000211541_100000731052 [0,1,0,0,0,1|1,0,1]=4 2725 B11R0.33 CC(C)CC(C)OC(C)C(C)C 7a_100000748068_100000731052 [0,1,0,0,0,1|1,0,1]=4 2726 B11R0.33 CC(C)CN(C)CC(=O)C(C)C 2230a_100000747067_100000753385 [0,1,0,0,0,1|2,0,0]=4 2727 B11R0.33 CC(C)CN(C)CC(=O)C(C)C 269982a_100000747067_100000753385 [0,1,0,0,0,1|2,0,0]=4 2728 B11R0.33 CC(C)N(C)CC(=O)CC(F)F 1458a_100000743827_100011934356 [0,1,0,0,0,1|2,0,0]=4 2729 B11R0.33 CC(C)NC(=O)CC(=O)C(C)C 1458a_100000210198_100000183996 [0,1,0,0,0,1|1,0,0]=3 2730 B11R0.33 CC(C)NC(=O)CC(=O)C(C)F 1458a_100000062450_100000183996 [0,1,0,0,0,1|2,0,0]=4 2731 B11R0.33 CC(C)NC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183996 [0,1,0,0,0,1|2,0,0]=4 2732 B11R0.33 CC(C)NC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183996 [0,1,0,0,0,1|2,0,0]=4 2733 B11R0.33 CC(C)NC(=O)CC(C)N(C)C 1626a_100138425928_100011311895 [0,1,0,0,0,1|2,0,0]=4 2734 B11R0.33 CC(C)NC(=O)CC(C)N(C)C 240690a_100138425928_100011311895 [0,1,0,0,0,1|2,0,0]=4 2735 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 11a_100138425928_100000743827 [0,1,0,0,0,1|1,0,0]=3 2736 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 1626a_100138425928_100000743827 [0,1,0,0,0,1|1,0,0]=3 2737 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 2230a_100000168146_100000210206 [0,1,0,0,0,1|1,0,0]=3 2738 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 240690a_100138425928_100000743827 [0,1,0,0,0,1|1,0,0]=3 2739 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 269982a_100000168146_100000210206 [0,1,0,0,0,1|1,0,0]=3 2740 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 269982a_200000211004_100000183996 [0,1,0,0,0,1|1,0,0]=3 2741 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 527a_100138425928_100000743827 [0,1,0,0,0,1|1,0,0]=3 2742 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 2708a_100000211541_100138425928 [0,1,0,0,0,1|1,0,0]=3 2743 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 2708a_100138425928_100000211541 [0,1,0,0,0,1|1,0,0]=3 2744 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 273464a_100138425928_100000211541 [0,1,0,0,0,1|1,0,0]=3 2745 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 512a_100000211541_100138425928 [0,1,0,0,0,1|1,0,0]=3 2746 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 512a_100138425928_100000211541 [0,1,0,0,0,1|1,0,0]=3 2747 B11R0.33 CC(C)OC(=O)CC(=O)C(C)C 1458a_100000210198_100011215430 [0,1,0,0,0,1|1,0,0]=3 2748 B11R0.33 CC(C)OC(=O)CC(=O)C(C)F 1458a_100000062450_100011215430 [0,1,0,0,0,1|2,0,0]=4 2749 B11R0.33 CC(C)OC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100011215430 [0,1,0,0,0,1|2,0,0]=4 2750 B11R0.33 CC(C)OC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100011215430 [0,1,0,0,0,1|2,0,0]=4 2751 B11R0.33 CC(C)OC(=O)CN(C)C(C)C 269982a_200000211004_100011215430 [0,1,0,0,0,1|1,0,0]=3 2752 B11R0.33 CC(C)OC(=O)OC(C)N(C)C 269982a_100102631434_100000067433 [0,1,0,0,0,1|2,0,0]=4 2753 B11R0.33 CC(O)CC(=O)CC(C)N(C)C 1458a_100011311895_100011218427 [0,1,0,0,0,1|2,0,0]=4 2754 B11R0.33 CC(O)CC(=O)CN(C)C(C)C 1458a_100000743827_100011218427 [0,1,0,0,0,1|1,0,0]=3 2755 B11R0.33 CN(C)C(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000185267 [0,1,0,0,0,1|2,0,0]=4 2756 B11R0.33 CN(C)CC(=O)CC(=O)N(C)C 1458a_100000750896_100000185267 [0,1,0,0,0,1|2,0,0]=4 2757 B11R0.33 C[C@@H](O)CC(=O)CC(=O)N(C)C 1458a_100011933948_100000185267 [0,1,0,0,0,1|2,0,0]=4 2758 B11R0.34 C=C(C)CCC(=O)CC(C)(C)C 1458a_100000211214_100000730704 [0,1,0,0,0,1|0,0,2]=4 2759 B11R0.34 C=C(C)CCC(=O)CC(C)(C)O 1458a_100000693243_100000730704 [0,1,0,0,0,1|0,0,2]=4 2760 B11R0.34 C=C(C)CNC(=O)CC(C)(C)C 11a_100000765925_100000211214 [0,1,0,0,0,1|0,0,2]=4 2761 B11R0.34 C=C(C)CNC(=O)CC(C)(C)C 1626a_100000765925_100000211214 [0,1,0,0,0,1|0,0,2]=4 2762 B11R0.34 C=C(C)CNC(=O)CC(C)(C)C 240690a_100000765925_100000211214 [0,1,0,0,0,1|0,0,2]=4 2763 B11R0.34 C=C(C)CNC(=O)CC(C)(C)C 527a_100000765925_100000211214 [0,1,0,0,0,1|0,0,2]=4 2764 B11R0.34 C=C(C)CNC(=O)CC(C)(C)O 527a_100000765925_100000693243 [0,1,0,0,0,1|0,0,2]=4 2765 B11R0.34 CC(=CCC(=O)CC(C)(C)C)C 1458a_100000211214_100000761012 [0,1,0,0,0,1|0,0,1]=3 2766 B11R0.34 CC(=CCC(=O)CC(C)(C)O)C 1458a_100000693243_100000761012 [0,1,0,0,0,1|0,0,1]=3 2767 B11R0.34 CC(=CCC(=O)C[N+](C)(C)C)C 1458a_100000033712_100000761012 [0,1,0,0,0,1|1,0,1]=4 2768 B11R0.34 CC(=CCC(=O)C[Si](C)(C)C)C 1458a_100011218504_100000761012 [0,1,0,0,0,1|0,1,1]=4 2769 B11R0.34 CC(=CCC(=O)C[Si](C)(C)C)C 1458a_100011220947_100000233785 [0,1,0,0,0,1|0,1,1]=4 2770 B11R0.34 CC(=CCC(=O)NC(C)(C)C)C 11a_100000715429_100011220947 [0,1,0,0,0,1|1,0,1]=4 2771 B11R0.34 CC(=CCC(=O)NC(C)(C)C)C 1626a_100000715429_100011220947 [0,1,0,0,0,1|1,0,1]=4 2772 B11R0.34 CC(=CCC(=O)NC(C)(C)C)C 240690a_100000715429_100011220947 [0,1,0,0,0,1|1,0,1]=4 2773 B11R0.34 CC(=CCC(=O)NC(C)(C)C)C 527a_100000715429_100011220947 [0,1,0,0,0,1|1,0,1]=4 2774 B11R0.34 CC(=O)CNC(=O)CC(C)(C)C 1458a_100000744057_200000210301 [0,1,0,0,0,1|1,0,1]=4 2775 B11R0.34 CC(=O)COC(=O)CC(C)(C)C 1458a_100000070787_200010999194 [0,1,0,0,0,1|1,0,1]=4 2776 B11R0.34 CC(C)(C)CC(=O)NCC(=O)[13CH3] 1458a_100000744057_200025704644 [0,1,0,0,0,1|1,0,1]=4 2777 B11R0.34 CC(C)(C)CC(=O)NCC(F)F 11a_100000765723_100000211214 [0,1,0,0,0,1|2,0,0]=4 2778 B11R0.34 CC(C)(C)CC(=O)NCC(F)F 1626a_100000765723_100000211214 [0,1,0,0,0,1|2,0,0]=4 2779 B11R0.34 CC(C)(C)CC(=O)NCC(F)F 240690a_100000765723_100000211214 [0,1,0,0,0,1|2,0,0]=4 2780 B11R0.34 CC(C)(C)CC(=O)NCC(F)F 527a_100000765723_100000211214 [0,1,0,0,0,1|2,0,0]=4 2781 B11R0.34 CC(C)(O)CC(=O)NCC(F)F 527a_100000765723_100000693243 [0,1,0,0,0,1|2,0,0]=4 2782 B11R0.34 CC(C)C=CC(=O)C[Si](C)(C)C 1458a_100016268746_100000233785 [0,1,0,0,0,1|0,1,1]=4 2783 B11R0.34 CC(C)C=CC(=O)NC(C)(C)C 11a_100000715429_100016268746 [0,1,0,0,0,1|1,0,1]=4 2784 B11R0.34 CC(C)C=CC(=O)NC(C)(C)C 1626a_100000715429_100016268746 [0,1,0,0,0,1|1,0,1]=4 2785 B11R0.34 CC(C)C=CC(=O)NC(C)(C)C 240690a_100000715429_100016268746 [0,1,0,0,0,1|1,0,1]=4 2786 B11R0.34 CC(C)CCC(=O)CC(C)(C)C 1458a_100000211214_100000210312 [0,1,0,0,0,1|0,0,0]=2 2787 B11R0.34 CC(C)CCC(=O)CC(C)(C)O 1458a_100000693243_100000210312 [0,1,0,0,0,1|0,0,0]=2 2788 B11R0.34 CC(C)CCC(=O)CC(F)(F)F 1458a_100000245130_100000210312 [0,1,0,0,0,1|2,0,0]=4 2789 B11R0.34 CC(C)CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210312 [0,1,0,0,0,1|2,0,0]=4 2790 B11R0.34 CC(C)CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210312 [0,1,0,0,0,1|1,0,0]=3 2791 B11R0.34 CC(C)CCC(=O)C[Si](C)(C)C 1458a_100000181311_100000233785 [0,1,0,0,0,1|0,1,0]=3 2792 B11R0.34 CC(C)CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210312 [0,1,0,0,0,1|0,1,0]=3 2793 B11R0.34 CC(C)CCC(=O)NC(C)(C)C 11a_100000715429_100000181311 [0,1,0,0,0,1|1,0,0]=3 2794 B11R0.34 CC(C)CCC(=O)NC(C)(C)C 1626a_100000715429_100000181311 [0,1,0,0,0,1|1,0,0]=3 2795 B11R0.34 CC(C)CCC(=O)NC(C)(C)C 240690a_100000715429_100000181311 [0,1,0,0,0,1|1,0,0]=3 2796 B11R0.34 CC(C)CCC(=O)NC(C)(C)C 527a_100000715429_100000181311 [0,1,0,0,0,1|1,0,0]=3 2797 B11R0.34 CC(C)CCN(C)CC(C)(C)C 2230a_100000742839_100000210312 [0,1,0,0,0,1|2,0,0]=4 2798 B11R0.34 CC(C)CCN(C)CC(C)(C)C 269982a_100000742839_100000210312 [0,1,0,0,0,1|2,0,0]=4 2799 B11R0.34 CC(C)CCN(C)CC(C)(C)C 270004a_100000742789_100011204126 [0,1,0,0,0,1|2,0,0]=4 2800 B11R0.34 CC(C)CCN(C)CC(C)(C)O 2230a_100000755907_100000210312 [0,1,0,0,0,1|2,0,0]=4 2801 B11R0.34 CC(C)CCN(C)CC(C)(C)O 269982a_100000755907_100000210312 [0,1,0,0,0,1|2,0,0]=4 2802 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 11a_100000210953_100000211214 [0,1,0,0,0,1|0,0,0]=2 2803 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 1626a_100000210953_100000211214 [0,1,0,0,0,1|0,0,0]=2 2804 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 240690a_100000210953_100000211214 [0,1,0,0,0,1|0,0,0]=2 2805 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 527a_100000210953_100000211214 [0,1,0,0,0,1|0,0,0]=2 2806 B11R0.34 CC(C)CNC(=O)CC(C)(C)O 527a_100000210953_100000693243 [0,1,0,0,0,1|0,0,0]=2 2807 B11R0.34 CC(C)CNC(=O)CC(F)(F)F 11a_100000210953_100000245130 [0,1,0,0,0,1|2,0,0]=4 2808 B11R0.34 CC(C)CNC(=O)CC(F)(F)F 1626a_100000210953_100000245130 [0,1,0,0,0,1|2,0,0]=4 2809 B11R0.34 CC(C)CNC(=O)CC(F)(F)F 527a_100000210953_100000245130 [0,1,0,0,0,1|2,0,0]=4 2810 B11R0.34 CC(C)CNC(=O)CS(=O)(=O)C 11a_100000210953_100000744497 [0,1,0,0,0,1|2,0,0]=4 2811 B11R0.34 CC(C)CNC(=O)CS(=O)(=O)C 240690a_100000210953_100000744497 [0,1,0,0,0,1|2,0,0]=4 2812 B11R0.34 CC(C)CNC(=O)CS(=O)(=O)C 527a_100000210953_100000744497 [0,1,0,0,0,1|2,0,0]=4 2813 B11R0.34 CC(C)CNC(=O)C[N+](C)(C)C 11a_100000210953_100000033712 [0,1,0,0,0,1|1,0,0]=3 2814 B11R0.34 CC(C)CNC(=O)C[N+](C)(C)C 1626a_100000210953_100000033712 [0,1,0,0,0,1|1,0,0]=3 2815 B11R0.34 CC(C)CNC(=O)C[N+](C)(C)C 240690a_100000210953_100000033712 [0,1,0,0,0,1|1,0,0]=3 2816 B11R0.34 CC(C)CNC(=O)C[N+](C)(C)C 527a_100000210953_100000033712 [0,1,0,0,0,1|1,0,0]=3 2817 B11R0.34 CC(C)CNC(=O)C[Si](C)(C)C 11a_100000210953_100011218504 [0,1,0,0,0,1|0,1,0]=3 2818 B11R0.34 CC(C)CNC(=O)C[Si](C)(C)C 1626a_100000210953_100011218504 [0,1,0,0,0,1|0,1,0]=3 2819 B11R0.34 CC(C)CNC(=O)NC(C)(C)C 2708a_100000210953_100000715429 [0,1,0,0,0,1|1,0,0]=3 2820 B11R0.34 CC(C)CNC(=O)NC(C)(C)C 273464a_100000210953_100000715429 [0,1,0,0,0,1|1,0,0]=3 2821 B11R0.34 CC(C)CNC(=O)NC(C)(C)C 273464a_100000715429_100000210953 [0,1,0,0,0,1|1,0,0]=3 2822 B11R0.34 CC(C)CNC(=O)NC(C)(C)C 512a_100000715429_100000210953 [0,1,0,0,0,1|1,0,0]=3 2823 B11R0.34 CC(C)CN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210760 [0,1,0,0,0,1|1,0,1]=4 2824 B11R0.34 CC(C)CN[C@@H](C)CC(C)(C)C 270004a_106358413534_100000210432 [0,1,0,0,0,1|1,0,1]=4 2825 B11R0.34 CC(C)COC(C)CC(C)(C)C 7a_200011218616_100000210760 [0,1,0,0,0,1|1,0,1]=4 2826 B11R0.34 CC(C)NCC(=O)NC(C)(C)C 2230a_100000174917_100000210206 [0,1,0,0,0,1|1,0,0]=3 2827 B11R0.34 CC(C)NCC(=O)NC(C)(C)C 2230a_100138425928_100000182746 [0,1,0,0,0,1|1,0,0]=3 2828 B11R0.34 CC(C)NCC(=O)NC(C)(C)C 34a_100000174917_100000210206 [0,1,0,0,0,1|1,0,0]=3 2829 B11R0.34 CC(C)NCC(=O)NC(C)(C)C 34a_100138425928_100000182746 [0,1,0,0,0,1|1,0,0]=3 2830 B11R0.34 CC(C)NCC(=O)OC(C)(C)C 2230a_100138425928_100000183872 [0,1,0,0,0,1|1,0,0]=3 2831 B11R0.34 CC(C)NCC(=O)OC(C)(C)C 34a_100138425928_100000183872 [0,1,0,0,0,1|1,0,0]=3 2832 B11R0.34 CC(C)NCC(=O)O[Si](C)(C)C 2230a_100138425928_200009813336 [0,1,0,0,0,1|1,1,0]=4 2833 B11R0.34 CC(C)NCC(=O)O[Si](C)(C)C 34a_100138425928_200009813336 [0,1,0,0,0,1|1,1,0]=4 2834 B11R0.34 CC(C)NNC(=O)CC(C)(C)C 22a_100000741168_100000211214 [0,1,0,0,0,1|1,0,0]=3 2835 B11R0.34 CC(C)NNC(=O)CC(C)(C)O 22a_100000741168_100000693243 [0,1,0,0,0,1|1,0,0]=3 2836 B11R0.34 CC(C)NNC(=O)C[N+](C)(C)C 22a_100000741168_100000033712 [0,1,0,0,0,1|2,0,0]=4 2837 B11R0.34 CC(C)NNC(=O)NC(C)(C)C 273464a_100000715429_100000741168 [0,1,0,0,0,1|2,0,0]=4 2838 B11R0.34 CC(C)NNC(=O)NC(C)(C)C 512a_100000715429_100000741168 [0,1,0,0,0,1|2,0,0]=4 2839 B11R0.34 CC(C)OCC(=O)C[Si](C)(C)C 1458a_100000745533_100000233785 [0,1,0,0,0,1|0,1,0]=3 2840 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 11a_100000715429_100000745533 [0,1,0,0,0,1|1,0,0]=3 2841 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 1626a_100000715429_100000745533 [0,1,0,0,0,1|1,0,0]=3 2842 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 240690a_100000715429_100000745533 [0,1,0,0,0,1|1,0,0]=3 2843 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 34a_100000212225_100000182746 [0,1,0,0,0,1|1,0,0]=3 2844 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 527a_100000715429_100000745533 [0,1,0,0,0,1|1,0,0]=3 2845 B11R0.34 CC(C)OCC(=O)OC(C)(C)C 34a_100000212225_100000183872 [0,1,0,0,0,1|1,0,0]=3 2846 B11R0.34 CC(C)OCC(=O)OC(C)(C)C 34a_100000752683_100000210206 [0,1,0,0,0,1|1,0,0]=3 2847 B11R0.34 CC(C)OCC(=O)O[Si](C)(C)C 34a_100000212225_200009813336 [0,1,0,0,0,1|1,1,0]=4 2848 B11R0.34 CC(C)OCN(C)CC(C)(C)C 2230a_100000742839_100000709892 [0,1,0,0,0,1|2,0,0]=4 2849 B11R0.34 CC(C)OCN(C)CC(C)(C)C 269982a_100000742839_100000709892 [0,1,0,0,0,1|2,0,0]=4 2850 B11R0.34 CC(C)OCN(C)CC(C)(C)O 2230a_100000755907_100000709892 [0,1,0,0,0,1|2,0,0]=4 2851 B11R0.34 CC(C)OCN(C)CC(C)(C)O 269982a_100000755907_100000709892 [0,1,0,0,0,1|2,0,0]=4 2852 B11R0.34 CC(C)SCC(=O)C[Si](C)(C)C 1458a_100000241585_100000233785 [0,1,0,0,0,1|0,1,0]=3 2853 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 11a_100000715429_100000241585 [0,1,0,0,0,1|1,0,0]=3 2854 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 1626a_100000715429_100000241585 [0,1,0,0,0,1|1,0,0]=3 2855 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 240690a_100000715429_100000241585 [0,1,0,0,0,1|1,0,0]=3 2856 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 527a_100000715429_100000241585 [0,1,0,0,0,1|1,0,0]=3 2857 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 62a_100000182746_100000210206 [0,1,0,0,0,1|1,0,0]=3 2858 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 62a_100000210206_100000182746 [0,1,0,0,0,1|1,0,0]=3 2859 B11R0.34 CC(C)SCC(=O)OC(C)(C)C 62a_100000183872_100000210206 [0,1,0,0,0,1|1,0,0]=3 2860 B11R0.34 CC(C)SCC(=O)OC(C)(C)C 62a_100000210206_100000183872 [0,1,0,0,0,1|1,0,0]=3 2861 B11R0.34 CC(C)SCC(=O)O[Si](C)(C)C 62a_100000210206_200009813336 [0,1,0,0,0,1|1,1,0]=4 2862 B11R0.34 CC(C)SCC(=O)O[Si](C)(C)C 62a_200009813336_100000210206 [0,1,0,0,0,1|1,1,0]=4 2863 B11R0.34 CC(COC(C)C)CC(C)(C)C 7a_200011215325_100000210206 [0,1,0,0,0,1|1,0,1]=4 2864 B11R0.34 CC(O)CCC(=O)CC(C)(C)C 1458a_100000211214_100012276601 [0,1,0,0,0,1|1,0,0]=3 2865 B11R0.34 CC(O)CCC(=O)CC(C)(C)O 1458a_100000693243_100012276601 [0,1,0,0,0,1|1,0,0]=3 2866 B11R0.34 CC(O)CCC(=O)C[N+](C)(C)C 1458a_100000033712_100012276601 [0,1,0,0,0,1|2,0,0]=4 2867 B11R0.34 CC(O)CCC(=O)C[Si](C)(C)C 1458a_100011218504_100012276601 [0,1,0,0,0,1|1,1,0]=4 2868 B11R0.34 CC(O)CCC(=O)NC(C)(C)C 1626a_100000715429_100000718519 [0,1,0,0,0,1|2,0,0]=4 2869 B11R0.34 CC(O)CNC(=O)CC(C)(C)C 11a_100000210904_100000211214 [0,1,0,0,0,1|1,0,0]=3 2870 B11R0.34 CC(O)CNC(=O)CC(C)(C)C 240690a_100000210904_100000211214 [0,1,0,0,0,1|1,0,0]=3 2871 B11R0.34 CC(O)CNC(=O)CC(C)(C)C 527a_100000210904_100000211214 [0,1,0,0,0,1|1,0,0]=3 2872 B11R0.34 CC(O)CNC(=O)CC(C)(C)O 527a_100000210904_100000693243 [0,1,0,0,0,1|1,0,0]=3 2873 B11R0.34 CC(O)CNC(=O)C[N+](C)(C)C 11a_100000210904_100000033712 [0,1,0,0,0,1|2,0,0]=4 2874 B11R0.34 CC(O)CNC(=O)C[N+](C)(C)C 240690a_100000210904_100000033712 [0,1,0,0,0,1|2,0,0]=4 2875 B11R0.34 CC(O)CNC(=O)C[N+](C)(C)C 527a_100000210904_100000033712 [0,1,0,0,0,1|2,0,0]=4 2876 B11R0.34 CC(O)CNC(=O)C[Si](C)(C)C 11a_100000210904_100011218504 [0,1,0,0,0,1|1,1,0]=4 2877 B11R0.34 CC(O)CNC(=O)NC(C)(C)C 273464a_100000210904_100000715429 [0,1,0,0,0,1|2,0,0]=4 2878 B11R0.34 CC(O)CNC(=O)NC(C)(C)C 273464a_100000715429_100000210904 [0,1,0,0,0,1|2,0,0]=4 2879 B11R0.34 CC(O)CNC(=O)NC(C)(C)C 512a_100000715429_100000210904 [0,1,0,0,0,1|2,0,0]=4 2880 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 11a_100000715429_100000689311 [0,1,0,0,0,1|2,0,0]=4 2881 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 2230a_100102631434_100011194433 [0,1,0,0,0,1|2,0,0]=4 2882 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 240690a_100000715429_100000689311 [0,1,0,0,0,1|2,0,0]=4 2883 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 269982a_100102631434_100011194433 [0,1,0,0,0,1|2,0,0]=4 2884 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 527a_100000715429_100000689311 [0,1,0,0,0,1|2,0,0]=4 2885 B11R0.34 CN(C)CCC(=O)OC(C)(C)C 2230a_100000687418_200000210301 [0,1,0,0,0,1|2,0,0]=4 2886 B11R0.34 CN(C)CCC(=O)OC(C)(C)C 2230a_100102631434_100009816755 [0,1,0,0,0,1|2,0,0]=4 2887 B11R0.34 CN(C)CCC(=O)OC(C)(C)C 269982a_100000687418_200000210301 [0,1,0,0,0,1|2,0,0]=4 2888 B11R0.34 CN(C)COC(=O)CC(C)(C)C 2230a_100102631434_200010999194 [0,1,0,0,0,1|1,0,0]=3 2889 B11R0.34 CN(C)COC(=O)CC(C)(C)C 269982a_100102631434_200010999194 [0,1,0,0,0,1|1,0,0]=3 2890 B11R0.34 CN([13CH3])CCC(=O)OC(C)(C)C 2230a_100000687418_200025704644 [0,1,0,0,0,1|2,0,0]=4 2891 B11R0.34 CN([13CH3])CCC(=O)OC(C)(C)C 269982a_100000687418_200025704644 [0,1,0,0,0,1|2,0,0]=4 2892 B11R0.34 C[S+](C)CCC(=O)C[Si](C)(C)C 1458a_100009452791_100000233785 [0,1,0,0,0,1|1,1,0]=4 2893 B11R0.34 C[S+](C)CCC(=O)NC(C)(C)C 11a_100000715429_100009452791 [0,1,0,0,0,1|2,0,0]=4 2894 B11R0.34 C[S+](C)CCC(=O)NC(C)(C)C 1626a_100000715429_100009452791 [0,1,0,0,0,1|2,0,0]=4 2895 B11R0.34 C[S+](C)CCC(=O)NC(C)(C)C 240690a_100000715429_100009452791 [0,1,0,0,0,1|2,0,0]=4 2896 B11R0.93 C#CC(C)NC(=O)CCC(C)C 11a_100000707721_100000181311 [0,1,0,0,0,1|1,0,1]=4 2897 B11R0.93 C#CC(C)NC(=O)CCC(C)C 1626a_100000707721_100000181311 [0,1,0,0,0,1|1,0,1]=4 2898 B11R0.93 C#CC(C)NC(=O)CCC(C)C 240690a_100000707721_100000181311 [0,1,0,0,0,1|1,0,1]=4 2899 B11R0.93 C#CC(C)NC(=O)CCC(C)C 527a_100000707721_100000181311 [0,1,0,0,0,1|1,0,1]=4 2900 B11R0.93 C#CC(C)NC(=O)COC(C)C 11a_100000707721_100000745533 [0,1,0,0,0,1|1,0,1]=4 2901 B11R0.93 C#CC(C)NC(=O)COC(C)C 1626a_100000707721_100000745533 [0,1,0,0,0,1|1,0,1]=4 2902 B11R0.93 C#CC(C)NC(=O)COC(C)C 240690a_100000707721_100000745533 [0,1,0,0,0,1|1,0,1]=4 2903 B11R0.93 C#CC(C)NC(=O)COC(C)C 527a_100000707721_100000745533 [0,1,0,0,0,1|1,0,1]=4 2904 B11R0.93 C#CC(C)NC(=O)CSC(C)C 11a_100000707721_100000241585 [0,1,0,0,0,1|1,0,1]=4 2905 B11R0.93 C#CC(C)NC(=O)CSC(C)C 1626a_100000707721_100000241585 [0,1,0,0,0,1|1,0,1]=4 2906 B11R0.93 C#CC(C)NC(=O)CSC(C)C 240690a_100000707721_100000241585 [0,1,0,0,0,1|1,0,1]=4 2907 B11R0.93 C#CC(C)NC(=O)CSC(C)C 527a_100000707721_100000241585 [0,1,0,0,0,1|1,0,1]=4 2908 B11R0.93 C#CC(C)NC(=O)NCC(C)C 2708a_100000210953_100000707721 [0,1,0,0,0,1|1,0,1]=4 2909 B11R0.93 C#CC(C)NC(=O)NCC(C)C 2708a_100000707721_100000210953 [0,1,0,0,0,1|1,0,1]=4 2910 B11R0.93 C#CC(C)NC(=O)NCC(C)C 273464a_100000210953_100000707721 [0,1,0,0,0,1|1,0,1]=4 2911 B11R0.93 C#CC(C)NC(=O)NCC(C)C 273464a_100000707721_100000210953 [0,1,0,0,0,1|1,0,1]=4 2912 B11R0.93 C#CC(C)NC(=O)NCC(C)C 512a_100000210953_100000707721 [0,1,0,0,0,1|1,0,1]=4 2913 B11R0.93 C#CC(C)NC(=O)NCC(C)C 512a_100000707721_100000210953 [0,1,0,0,0,1|1,0,1]=4 2914 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_100000708755_100000730704 [0,1,0,0,0,1|0,0,2]=4 2915 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_200000688413_100000748023 [0,1,0,0,0,1|0,0,2]=4 2916 B11R0.93 C=C(C)CCC(=O)C[C@@H](C)CC 1458a_200000688413_100009816398 [0,1,0,0,0,1|0,0,2]=4 2917 B11R0.93 C=C(C)CCC(=O)C[C@@H](C)CO 1458a_200000688413_100000059175 [0,1,0,0,0,1|0,0,2]=4 2918 B11R0.93 C=C(C)CNC(=O)CC(C)CC 11a_100000765925_100000708755 [0,1,0,0,0,1|0,0,2]=4 2919 B11R0.93 C=C(C)CNC(=O)CC(C)CC 1626a_100000765925_100000708755 [0,1,0,0,0,1|0,0,2]=4 2920 B11R0.93 C=C(C)CNC(=O)CC(C)CC 240690a_100000765925_100000708755 [0,1,0,0,0,1|0,0,2]=4 2921 B11R0.93 C=C(C)CNC(=O)CC(C)CC 527a_100000765925_100000708755 [0,1,0,0,0,1|0,0,2]=4 2922 B11R0.93 C=CC(C)CC(=O)CC=C(C)C 1458a_100011934298_100000761012 [0,1,0,0,0,1|0,0,2]=4 2923 B11R0.93 C=CC(C)CC(=O)CCC(C)C 1458a_100011934298_100000210312 [0,1,0,0,0,1|0,0,1]=3 2924 B11R0.93 C=CC(C)CC(=O)CCC(C)O 1458a_100011934298_100012276601 [0,1,0,0,0,1|1,0,1]=4 2925 B11R0.93 C=CC(C)CC(=O)NCC(C)C 11a_100000210953_100011934298 [0,1,0,0,0,1|0,0,1]=3 2926 B11R0.93 C=CC(C)CC(=O)NCC(C)C 1626a_100000210953_100011934298 [0,1,0,0,0,1|0,0,1]=3 2927 B11R0.93 C=CC(C)CC(=O)NCC(C)C 240690a_100000210953_100011934298 [0,1,0,0,0,1|0,0,1]=3 2928 B11R0.93 C=CC(C)CC(=O)NCC(C)C 527a_100000210953_100011934298 [0,1,0,0,0,1|0,0,1]=3 2929 B11R0.93 C=CC(C)CC(=O)NCC(C)O 11a_100000210904_100011934298 [0,1,0,0,0,1|1,0,1]=4 2930 B11R0.93 C=CC(C)CC(=O)NCC(C)O 240690a_100000210904_100011934298 [0,1,0,0,0,1|1,0,1]=4 2931 B11R0.93 C=CC(C)CC(=O)NCC(C)O 527a_100000210904_100011934298 [0,1,0,0,0,1|1,0,1]=4 2932 B11R0.93 C=CC(C)CC(=O)NNC(C)C 22a_100000741168_100011934298 [0,1,0,0,0,1|1,0,1]=4 2933 B11R0.93 CC(=CCC(=O)C[C@@H](C)CO)C 1458a_100011220947_100000059175 [0,1,0,0,0,1|0,0,1]=3 2934 B11R0.93 CC(=CCC(=O)N[C@H](C)CF)C 11a_100102880703_100011220947 [0,1,0,0,0,1|1,0,1]=4 2935 B11R0.93 CC(=CCC(=O)N[C@H](C)CF)C 1626a_100102880703_100011220947 [0,1,0,0,0,1|1,0,1]=4 2936 B11R0.93 CC(=CCC(=O)N[C@H](C)CF)C 240690a_100102880703_100011220947 [0,1,0,0,0,1|1,0,1]=4 2937 B11R0.93 CC(=CCC(=O)N[C@H](C)CF)C 527a_100102880703_100011220947 [0,1,0,0,0,1|1,0,1]=4 2938 B11R0.93 CC(=CCC(=O)N[C@H](C)CO)C 240690a_100000737577_100011220947 [0,1,0,0,0,1|1,0,1]=4 2939 B11R0.93 CC(=CCC(=O)N[C@H](C)CO)C 527a_100000737577_100011220947 [0,1,0,0,0,1|1,0,1]=4 2940 B11R0.93 CC(=O)NCC(=O)C[C@@H](C)CO 1458a_100000194580_100000059175 [0,1,0,0,0,1|1,0,1]=4 2941 B11R0.93 CC(=O)OCC(=O)C[C@@H](C)CO 1458a_100000183556_100000059175 [0,1,0,0,0,1|1,0,1]=4 2942 B11R0.93 CC(=O)SCC(=O)C[C@@H](C)CO 1458a_100000049016_100000059175 [0,1,0,0,0,1|1,0,1]=4 2943 B11R0.93 CC(C#N)NC(=O)COC(C)C 11a_100000737613_100000745533 [0,1,0,0,0,1|1,0,1]=4 2944 B11R0.93 CC(C#N)NC(=O)COC(C)C 1626a_100000737613_100000745533 [0,1,0,0,0,1|1,0,1]=4 2945 B11R0.93 CC(C#N)NC(=O)COC(C)C 527a_100000737613_100000745533 [0,1,0,0,0,1|1,0,1]=4 2946 B11R0.93 CC(C#N)NC(=O)CSC(C)C 11a_100000737613_100000241585 [0,1,0,0,0,1|1,0,1]=4 2947 B11R0.93 CC(C#N)NC(=O)CSC(C)C 1626a_100000737613_100000241585 [0,1,0,0,0,1|1,0,1]=4 2948 B11R0.93 CC(C#N)NC(=O)CSC(C)C 527a_100000737613_100000241585 [0,1,0,0,0,1|1,0,1]=4 2949 B11R0.93 CC(C)C=CC(=O)C[C@@H](C)CO 1458a_100016268746_100000059175 [0,1,0,0,0,1|0,0,1]=3 2950 B11R0.93 CC(C)C=CC(=O)N[C@H](C)CF 11a_100102880703_100016268746 [0,1,0,0,0,1|1,0,1]=4 2951 B11R0.93 CC(C)C=CC(=O)N[C@H](C)CF 1626a_100102880703_100016268746 [0,1,0,0,0,1|1,0,1]=4 2952 B11R0.93 CC(C)C=CC(=O)N[C@H](C)CF 240690a_100102880703_100016268746 [0,1,0,0,0,1|1,0,1]=4 2953 B11R0.93 CC(C)C=CC(=O)N[C@H](C)CO 240690a_100000737577_100016268746 [0,1,0,0,0,1|1,0,1]=4 2954 B11R0.93 CC(C)CCC(=O)C[C@@H](C)CO 1458a_100000181311_100000059175 [0,1,0,0,0,1|0,0,0]=2 2955 B11R0.93 CC(C)CCC(=O)NC(C)C#N 11a_100000737613_100000181311 [0,1,0,0,0,1|1,0,1]=4 2956 B11R0.93 CC(C)CCC(=O)NC(C)C#N 1626a_100000737613_100000181311 [0,1,0,0,0,1|1,0,1]=4 2957 B11R0.93 CC(C)CCC(=O)NC(C)C#N 527a_100000737613_100000181311 [0,1,0,0,0,1|1,0,1]=4 2958 B11R0.93 CC(C)CCC(=O)N[C@H](C)CF 11a_100102880703_100000181311 [0,1,0,0,0,1|1,0,0]=3 2959 B11R0.93 CC(C)CCC(=O)N[C@H](C)CF 1626a_100102880703_100000181311 [0,1,0,0,0,1|1,0,0]=3 2960 B11R0.93 CC(C)CCC(=O)N[C@H](C)CF 240690a_100102880703_100000181311 [0,1,0,0,0,1|1,0,0]=3 2961 B11R0.93 CC(C)CCC(=O)N[C@H](C)CF 527a_100102880703_100000181311 [0,1,0,0,0,1|1,0,0]=3 2962 B11R0.93 CC(C)CCC(=O)N[C@H](C)CO 240690a_100000737577_100000181311 [0,1,0,0,0,1|1,0,0]=3 2963 B11R0.93 CC(C)CCC(=O)N[C@H](C)CO 527a_100000737577_100000181311 [0,1,0,0,0,1|1,0,0]=3 2964 B11R0.93 CC(C)CCN(C)C[C@@H](C)CO 2230a_100000742789_100000059175 [0,1,0,0,0,1|2,0,0]=4 2965 B11R0.93 CC(C)CCN(C)C[C@@H](C)CO 269982a_100000742789_100000059175 [0,1,0,0,0,1|2,0,0]=4 2966 B11R0.93 CC(C)CNC(=O)CC(=O)CO 1458a_100000210174_100000183291 [0,1,0,0,0,1|1,0,1]=4 2967 B11R0.93 CC(C)CNC(=O)NC(C)C#N 2708a_100000210953_100000737613 [0,1,0,0,0,1|1,0,1]=4 2968 B11R0.93 CC(C)CNC(=O)NC(C)C#N 2708a_100000737613_100000210953 [0,1,0,0,0,1|1,0,1]=4 2969 B11R0.93 CC(C)CNC(=O)NC(C)C#N 273464a_100000210953_100000737613 [0,1,0,0,0,1|1,0,1]=4 2970 B11R0.93 CC(C)CNC(=O)NC(C)C#N 273464a_100000737613_100000210953 [0,1,0,0,0,1|1,0,1]=4 2971 B11R0.93 CC(C)CNC(=O)NC(C)C#N 512a_100000210953_100000737613 [0,1,0,0,0,1|1,0,1]=4 2972 B11R0.93 CC(C)CNC(=O)NC(C)C#N 512a_100000737613_100000210953 [0,1,0,0,0,1|1,0,1]=4 2973 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 2708a_100000210953_100102880703 [0,1,0,0,0,1|1,0,0]=3 2974 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 273464a_100000210953_100102880703 [0,1,0,0,0,1|1,0,0]=3 2975 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 273464a_100102880703_100000210953 [0,1,0,0,0,1|1,0,0]=3 2976 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 512a_100000210953_100102880703 [0,1,0,0,0,1|1,0,0]=3 2977 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 512a_100102880703_100000210953 [0,1,0,0,0,1|1,0,0]=3 2978 B11R0.93 CC(C)CNC(=O)N[C@H](C)CO 2708a_100000210953_100000737577 [0,1,0,0,0,1|1,0,0]=3 2979 B11R0.93 CC(C)CNC(=O)N[C@H](C)CO 273464a_100000737577_100000210953 [0,1,0,0,0,1|1,0,0]=3 2980 B11R0.93 CC(C)CNC(=O)N[C@H](C)CO 512a_100000210953_100000737577 [0,1,0,0,0,1|1,0,0]=3 2981 B11R0.93 CC(C)CNC(=O)N[C@H](C)CO 512a_100000737577_100000210953 [0,1,0,0,0,1|1,0,0]=3 2982 B11R0.93 CC(C)NNC(=O)N[C@H](C)CF 273464a_100102880703_100000741168 [0,1,0,0,0,1|2,0,0]=4 2983 B11R0.93 CC(C)NNC(=O)N[C@H](C)CF 512a_100000741168_100102880703 [0,1,0,0,0,1|2,0,0]=4 2984 B11R0.93 CC(C)NNC(=O)N[C@H](C)CF 512a_100102880703_100000741168 [0,1,0,0,0,1|2,0,0]=4 2985 B11R0.93 CC(C)NNC(=O)N[C@H](C)CO 273464a_100000737577_100000741168 [0,1,0,0,0,1|2,0,0]=4 2986 B11R0.93 CC(C)NNC(=O)N[C@H](C)CO 512a_100000737577_100000741168 [0,1,0,0,0,1|2,0,0]=4 2987 B11R0.93 CC(C)NNC(=O)N[C@H](C)CO 512a_100000741168_100000737577 [0,1,0,0,0,1|2,0,0]=4 2988 B11R0.93 CC(C)OCC(=O)C[C@@H](C)CO 1458a_100000745533_100000059175 [0,1,0,0,0,1|0,0,0]=2 2989 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 11a_100102880703_100000745533 [0,1,0,0,0,1|1,0,0]=3 2990 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 1626a_100102880703_100000745533 [0,1,0,0,0,1|1,0,0]=3 2991 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 240690a_100102880703_100000745533 [0,1,0,0,0,1|1,0,0]=3 2992 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 527a_100102880703_100000745533 [0,1,0,0,0,1|1,0,0]=3 2993 B11R0.93 CC(C)OCC(=O)N[C@H](C)CO 240690a_100000737577_100000745533 [0,1,0,0,0,1|1,0,0]=3 2994 B11R0.93 CC(C)OCC(=O)N[C@H](C)CO 527a_100000737577_100000745533 [0,1,0,0,0,1|1,0,0]=3 2995 B11R0.93 CC(C)SCC(=O)C[C@@H](C)CO 1458a_100000241585_100000059175 [0,1,0,0,0,1|0,0,0]=2 2996 B11R0.93 CC(C)SCC(=O)N[C@H](C)CF 11a_100102880703_100000241585 [0,1,0,0,0,1|1,0,0]=3 2997 B11R0.93 CC(C)SCC(=O)N[C@H](C)CF 1626a_100102880703_100000241585 [0,1,0,0,0,1|1,0,0]=3 2998 B11R0.93 CC(C)SCC(=O)N[C@H](C)CF 240690a_100102880703_100000241585 [0,1,0,0,0,1|1,0,0]=3 2999 B11R0.93 CC(C)SCC(=O)N[C@H](C)CF 527a_100102880703_100000241585 [0,1,0,0,0,1|1,0,0]=3 3000 B11R0.93 CC(C)SCC(=O)N[C@H](C)CO 240690a_100000737577_100000241585 [0,1,0,0,0,1|1,0,0]=3 3001 B11R0.93 CC(C)SCC(=O)N[C@H](C)CO 527a_100000737577_100000241585 [0,1,0,0,0,1|1,0,0]=3 3002 B11R0.93 CC(O)CCC(=O)N[C@H](C)CF 1626a_100102880703_100000718519 [0,1,0,0,0,1|2,0,0]=4 3003 B11R0.93 CC(O)CNC(=O)N[C@H](C)CF 273464a_100000210904_100102880703 [0,1,0,0,0,1|2,0,0]=4 3004 B11R0.93 CC(O)CNC(=O)N[C@H](C)CF 273464a_100102880703_100000210904 [0,1,0,0,0,1|2,0,0]=4 3005 B11R0.93 CC(O)CNC(=O)N[C@H](C)CF 512a_100000210904_100102880703 [0,1,0,0,0,1|2,0,0]=4 3006 B11R0.93 CC(O)CNC(=O)N[C@H](C)CF 512a_100102880703_100000210904 [0,1,0,0,0,1|2,0,0]=4 3007 B11R0.93 CC(O)CNC(=O)N[C@H](C)CO 273464a_100000737577_100000210904 [0,1,0,0,0,1|2,0,0]=4 3008 B11R0.93 CC(O)CNC(=O)N[C@H](C)CO 512a_100000210904_100000737577 [0,1,0,0,0,1|2,0,0]=4 3009 B11R0.93 CC(O)CNC(=O)N[C@H](C)CO 512a_100000737577_100000210904 [0,1,0,0,0,1|2,0,0]=4 3010 B11R0.93 CCC(=CC(=O)CCC(C)C)C 1458a_100020758463_100000210312 [0,1,0,0,0,1|0,0,2]=4 3011 B11R0.93 CCC(=CC(=O)NCC(C)C)C 11a_100000210953_100020758463 [0,1,0,0,0,1|0,0,2]=4 3012 B11R0.93 CCC(=CC(=O)NCC(C)C)C 1626a_100000210953_100020758463 [0,1,0,0,0,1|0,0,2]=4 3013 B11R0.93 CCC(=CC(=O)NCC(C)C)C 240690a_100000210953_100020758463 [0,1,0,0,0,1|0,0,2]=4 3014 B11R0.93 CCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747405 [0,1,0,0,0,1|1,0,1]=4 3015 B11R0.93 CCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747405 [0,1,0,0,0,1|1,0,1]=4 3016 B11R0.93 CCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747405 [0,1,0,0,0,1|1,0,1]=4 3017 B11R0.93 CCC(=O)CC(=O)NCC(C)C 1458a_100000210414_100000183291 [0,1,0,0,0,1|1,0,1]=4 3018 B11R0.93 CCC(C)CC(=NNC(C)C)C 4a_100000741168_100011710205 [0,1,0,0,0,1|2,0,0]=4 3019 B11R0.93 CCC(C)CC(=O)C=CC(C)C 1458a_100016268746_100000748023 [0,1,0,0,0,1|0,0,1]=3 3020 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100000708755_100000761012 [0,1,0,0,0,1|0,0,1]=3 3021 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748023 [0,1,0,0,0,1|0,0,1]=3 3022 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000181311_100000748023 [0,1,0,0,0,1|0,0,0]=2 3023 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000708755_100000210312 [0,1,0,0,0,1|0,0,0]=2 3024 B11R0.93 CCC(C)CC(=O)CCC(C)O 1458a_100000708755_100012276601 [0,1,0,0,0,1|1,0,0]=3 3025 B11R0.93 CCC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748023 [0,1,0,0,0,1|1,0,0]=3 3026 B11R0.93 CCC(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748023 [0,1,0,0,0,1|1,0,1]=4 3027 B11R0.93 CCC(C)CC(=O)COC(=O)C 1458a_100000183556_100000748023 [0,1,0,0,0,1|1,0,1]=4 3028 B11R0.93 CCC(C)CC(=O)COC(C)C 1458a_100000745533_100000748023 [0,1,0,0,0,1|0,0,0]=2 3029 B11R0.93 CCC(C)CC(=O)COC(F)F 1458a_200000719455_100000748023 [0,1,0,0,0,1|2,0,0]=4 3030 B11R0.93 CCC(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748023 [0,1,0,0,0,1|1,0,1]=4 3031 B11R0.93 CCC(C)CC(=O)CSC(C)C 1458a_100000241585_100000748023 [0,1,0,0,0,1|0,0,0]=2 3032 B11R0.93 CCC(C)CC(=O)CSC(F)F 1458a_114828291038_100000748023 [0,1,0,0,0,1|2,0,0]=4 3033 B11R0.93 CCC(C)CC(=O)NCC(C)C 11a_100000210953_100000708755 [0,1,0,0,0,1|0,0,0]=2 3034 B11R0.93 CCC(C)CC(=O)NCC(C)C 1626a_100000210953_100000708755 [0,1,0,0,0,1|0,0,0]=2 3035 B11R0.93 CCC(C)CC(=O)NCC(C)C 240690a_100000210953_100000708755 [0,1,0,0,0,1|0,0,0]=2 3036 B11R0.93 CCC(C)CC(=O)NCC(C)C 527a_100000210953_100000708755 [0,1,0,0,0,1|0,0,0]=2 3037 B11R0.93 CCC(C)CC(=O)NCC(C)O 11a_100000210904_100000708755 [0,1,0,0,0,1|1,0,0]=3 3038 B11R0.93 CCC(C)CC(=O)NCC(C)O 240690a_100000210904_100000708755 [0,1,0,0,0,1|1,0,0]=3 3039 B11R0.93 CCC(C)CC(=O)NCC(C)O 527a_100000210904_100000708755 [0,1,0,0,0,1|1,0,0]=3 3040 B11R0.93 CCC(C)CC(=O)NCC(F)F 11a_100000765723_100000708755 [0,1,0,0,0,1|2,0,0]=4 3041 B11R0.93 CCC(C)CC(=O)NCC(F)F 1626a_100000765723_100000708755 [0,1,0,0,0,1|2,0,0]=4 3042 B11R0.93 CCC(C)CC(=O)NCC(F)F 240690a_100000765723_100000708755 [0,1,0,0,0,1|2,0,0]=4 3043 B11R0.93 CCC(C)CC(=O)NCC(F)F 527a_100000765723_100000708755 [0,1,0,0,0,1|2,0,0]=4 3044 B11R0.93 CCC(C)CC(=O)NNC(C)C 22a_100000741168_100000708755 [0,1,0,0,0,1|1,0,0]=3 3045 B11R0.93 CCC(C)CC(C)NCC(C)C 2230a_100000763565_100000210760 [0,1,0,0,0,1|1,0,1]=4 3046 B11R0.93 CCC(C)CC(C)NCC(C)C 270004a_100000210953_100011710205 [0,1,0,0,0,1|1,0,1]=4 3047 B11R0.93 CCC(C)CC(C)NCC(C)C 270004a_100000763565_100000210432 [0,1,0,0,0,1|1,0,1]=4 3048 B11R0.93 CCC(C)CN(C)CCC(C)C 2230a_100000742789_100000748023 [0,1,0,0,0,1|2,0,0]=4 3049 B11R0.93 CCC(C)CN(C)CCC(C)C 2230a_100000753921_100000210312 [0,1,0,0,0,1|2,0,0]=4 3050 B11R0.93 CCC(C)CN(C)CCC(C)C 269982a_100000742789_100000748023 [0,1,0,0,0,1|2,0,0]=4 3051 B11R0.93 CCC(C)CN(C)CCC(C)C 269982a_100000753921_100000210312 [0,1,0,0,0,1|2,0,0]=4 3052 B11R0.93 CCC(C)CN(C)CCC(C)C 270004a_100000742789_100000243153 [0,1,0,0,0,1|2,0,0]=4 3053 B11R0.93 CCC(C)CN(C)COC(C)C 2230a_100000753921_100000709892 [0,1,0,0,0,1|2,0,0]=4 3054 B11R0.93 CCC(C)CN(C)COC(C)C 269982a_100000753921_100000709892 [0,1,0,0,0,1|2,0,0]=4 3055 B11R0.93 CCC(C)NC(=O)C=CC(C)C 11a_100000209981_100016268746 [0,1,0,0,0,1|1,0,1]=4 3056 B11R0.93 CCC(C)NC(=O)C=CC(C)C 1626a_100000209981_100016268746 [0,1,0,0,0,1|1,0,1]=4 3057 B11R0.93 CCC(C)NC(=O)C=CC(C)C 240690a_100000209981_100016268746 [0,1,0,0,0,1|1,0,1]=4 3058 B11R0.93 CCC(C)NC(=O)CC=C(C)C 11a_100000209981_100011220947 [0,1,0,0,0,1|1,0,1]=4 3059 B11R0.93 CCC(C)NC(=O)CC=C(C)C 1626a_100000209981_100011220947 [0,1,0,0,0,1|1,0,1]=4 3060 B11R0.93 CCC(C)NC(=O)CC=C(C)C 240690a_100000209981_100011220947 [0,1,0,0,0,1|1,0,1]=4 3061 B11R0.93 CCC(C)NC(=O)CC=C(C)C 527a_100000209981_100011220947 [0,1,0,0,0,1|1,0,1]=4 3062 B11R0.93 CCC(C)NC(=O)CCC(C)C 11a_100000209981_100000181311 [0,1,0,0,0,1|1,0,0]=3 3063 B11R0.93 CCC(C)NC(=O)CCC(C)C 1626a_100000209981_100000181311 [0,1,0,0,0,1|1,0,0]=3 3064 B11R0.93 CCC(C)NC(=O)CCC(C)C 240690a_100000209981_100000181311 [0,1,0,0,0,1|1,0,0]=3 3065 B11R0.93 CCC(C)NC(=O)CCC(C)C 527a_100000209981_100000181311 [0,1,0,0,0,1|1,0,0]=3 3066 B11R0.93 CCC(C)NC(=O)CCC(C)O 1626a_100000209981_100000718519 [0,1,0,0,0,1|2,0,0]=4 3067 B11R0.93 CCC(C)NC(=O)CCN(C)C 11a_100000209981_100000689311 [0,1,0,0,0,1|2,0,0]=4 3068 B11R0.93 CCC(C)NC(=O)CCN(C)C 240690a_100000209981_100000689311 [0,1,0,0,0,1|2,0,0]=4 3069 B11R0.93 CCC(C)NC(=O)CCN(C)C 527a_100000209981_100000689311 [0,1,0,0,0,1|2,0,0]=4 3070 B11R0.93 CCC(C)NC(=O)CC[S+](C)C 11a_100000209981_100009452791 [0,1,0,0,0,1|2,0,0]=4 3071 B11R0.93 CCC(C)NC(=O)CC[S+](C)C 1626a_100000209981_100009452791 [0,1,0,0,0,1|2,0,0]=4 3072 B11R0.93 CCC(C)NC(=O)CC[S+](C)C 240690a_100000209981_100009452791 [0,1,0,0,0,1|2,0,0]=4 3073 B11R0.93 CCC(C)NC(=O)CNC(C)C 2230a_100138425928_100000182745 [0,1,0,0,0,1|1,0,0]=3 3074 B11R0.93 CCC(C)NC(=O)CNC(C)C 34a_100138425928_100000182745 [0,1,0,0,0,1|1,0,0]=3 3075 B11R0.93 CCC(C)NC(=O)COC(C)C 11a_100000209981_100000745533 [0,1,0,0,0,1|1,0,0]=3 3076 B11R0.93 CCC(C)NC(=O)COC(C)C 1626a_100000209981_100000745533 [0,1,0,0,0,1|1,0,0]=3 3077 B11R0.93 CCC(C)NC(=O)COC(C)C 240690a_100000209981_100000745533 [0,1,0,0,0,1|1,0,0]=3 3078 B11R0.93 CCC(C)NC(=O)COC(C)C 34a_100000212225_100000182745 [0,1,0,0,0,1|1,0,0]=3 3079 B11R0.93 CCC(C)NC(=O)COC(C)C 527a_100000209981_100000745533 [0,1,0,0,0,1|1,0,0]=3 3080 B11R0.93 CCC(C)NC(=O)CSC(C)C 11a_100000209981_100000241585 [0,1,0,0,0,1|1,0,0]=3 3081 B11R0.93 CCC(C)NC(=O)CSC(C)C 1626a_100000209981_100000241585 [0,1,0,0,0,1|1,0,0]=3 3082 B11R0.93 CCC(C)NC(=O)CSC(C)C 240690a_100000209981_100000241585 [0,1,0,0,0,1|1,0,0]=3 3083 B11R0.93 CCC(C)NC(=O)CSC(C)C 527a_100000209981_100000241585 [0,1,0,0,0,1|1,0,0]=3 3084 B11R0.93 CCC(C)NC(=O)CSC(C)C 62a_100000182745_100000210206 [0,1,0,0,0,1|1,0,0]=3 3085 B11R0.93 CCC(C)NC(=O)CSC(C)C 62a_100000210206_100000182745 [0,1,0,0,0,1|1,0,0]=3 3086 B11R0.93 CCC(C)NC(=O)NCC(C)C 2708a_100000209981_100000210953 [0,1,0,0,0,1|1,0,0]=3 3087 B11R0.93 CCC(C)NC(=O)NCC(C)C 2708a_100000210953_100000209981 [0,1,0,0,0,1|1,0,0]=3 3088 B11R0.93 CCC(C)NC(=O)NCC(C)C 273464a_100000209981_100000210953 [0,1,0,0,0,1|1,0,0]=3 3089 B11R0.93 CCC(C)NC(=O)NCC(C)C 273464a_100000210953_100000209981 [0,1,0,0,0,1|1,0,0]=3 3090 B11R0.93 CCC(C)NC(=O)NCC(C)C 512a_100000209981_100000210953 [0,1,0,0,0,1|1,0,0]=3 3091 B11R0.93 CCC(C)NC(=O)NCC(C)C 512a_100000210953_100000209981 [0,1,0,0,0,1|1,0,0]=3 3092 B11R0.93 CCC(C)NC(=O)NCC(C)O 2708a_100000209981_100000210904 [0,1,0,0,0,1|2,0,0]=4 3093 B11R0.93 CCC(C)NC(=O)NCC(C)O 273464a_100000209981_100000210904 [0,1,0,0,0,1|2,0,0]=4 3094 B11R0.93 CCC(C)NC(=O)NCC(C)O 273464a_100000210904_100000209981 [0,1,0,0,0,1|2,0,0]=4 3095 B11R0.93 CCC(C)NC(=O)NCC(C)O 512a_100000209981_100000210904 [0,1,0,0,0,1|2,0,0]=4 3096 B11R0.93 CCC(C)NC(=O)NCC(C)O 512a_100000210904_100000209981 [0,1,0,0,0,1|2,0,0]=4 3097 B11R0.93 CCC(C)NC(=O)NNC(C)C 273464a_100000209981_100000741168 [0,1,0,0,0,1|2,0,0]=4 3098 B11R0.93 CCC(C)NC(=O)NNC(C)C 512a_100000209981_100000741168 [0,1,0,0,0,1|2,0,0]=4 3099 B11R0.93 CCC(C)NC(=O)NNC(C)C 512a_100000741168_100000209981 [0,1,0,0,0,1|2,0,0]=4 3100 B11R0.93 CCC(O)CC(=O)C=CC(C)C 1458a_100016268746_100011218378 [0,1,0,0,0,1|1,0,1]=4 3101 B11R0.93 CCC(O)CC(=O)CC=C(C)C 1458a_100011220947_100011218378 [0,1,0,0,0,1|1,0,1]=4 3102 B11R0.93 CCC(O)CC(=O)CC=C(C)C 1458a_100011667805_100000761012 [0,1,0,0,0,1|1,0,1]=4 3103 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100000181311_100011218378 [0,1,0,0,0,1|1,0,0]=3 3104 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100011667805_100000210312 [0,1,0,0,0,1|1,0,0]=3 3105 B11R0.93 CCC(O)CC(=O)CCC(C)O 1458a_100011667805_100012276601 [0,1,0,0,0,1|2,0,0]=4 3106 B11R0.93 CCC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218378 [0,1,0,0,0,1|2,0,0]=4 3107 B11R0.93 CCC(O)CC(=O)COC(C)C 1458a_100000745533_100011218378 [0,1,0,0,0,1|1,0,0]=3 3108 B11R0.93 CCC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218378 [0,1,0,0,0,1|1,0,0]=3 3109 B11R0.93 CCC(O)CC(=O)NCC(C)C 1626a_100000210953_100011667805 [0,1,0,0,0,1|1,0,0]=3 3110 B11R0.93 CCC(O)CC(=O)NCC(C)C 240690a_100000210953_100011667805 [0,1,0,0,0,1|1,0,0]=3 3111 B11R0.93 CCC(O)CC(=O)NCC(C)O 240690a_100000210904_100011667805 [0,1,0,0,0,1|2,0,0]=4 3112 B11R0.93 CCC(O)CC(=O)NNC(C)C 22a_100000741168_100011667805 [0,1,0,0,0,1|2,0,0]=4 3113 B11R0.93 CCN(C)CC(=O)CC=C(C)C 1458a_100116209913_100000761012 [0,1,0,0,0,1|1,0,1]=4 3114 B11R0.93 CCN(C)CC(=O)CCC(C)C 1458a_100116209913_100000210312 [0,1,0,0,0,1|1,0,0]=3 3115 B11R0.93 CCN(C)CC(=O)CCC(C)O 1458a_100116209913_100012276601 [0,1,0,0,0,1|2,0,0]=4 3116 B11R0.93 CCN(C)CC(=O)NCC(C)C 2230a_100000225621_100000183291 [0,1,0,0,0,1|1,0,0]=3 3117 B11R0.93 CCN(C)CC(=O)NCC(C)C 240690a_100000210953_100116209913 [0,1,0,0,0,1|1,0,0]=3 3118 B11R0.93 CCN(C)CC(=O)NCC(C)C 269982a_100000225621_100000183291 [0,1,0,0,0,1|1,0,0]=3 3119 B11R0.93 CCN(C)CC(=O)NCC(C)C 527a_100000210953_100116209913 [0,1,0,0,0,1|1,0,0]=3 3120 B11R0.93 CCN(C)CC(=O)NCC(C)O 240690a_100000210904_100116209913 [0,1,0,0,0,1|2,0,0]=4 3121 B11R0.93 CCN(C)CC(=O)NCC(C)O 527a_100000210904_100116209913 [0,1,0,0,0,1|2,0,0]=4 3122 B11R0.93 CCN(C)CC(=O)NNC(C)C 22a_100000741168_100116209913 [0,1,0,0,0,1|2,0,0]=4 3123 B11R0.93 CC[C@H](C)CC(=O)C=CC(C)C 1458a_100016268746_100009816398 [0,1,0,0,0,1|0,0,1]=3 3124 B11R0.93 CC[C@H](C)CC(=O)CC=C(C)C 1458a_100011220947_100009816398 [0,1,0,0,0,1|0,0,1]=3 3125 B11R0.93 CC[C@H](C)CC(=O)CCC(C)C 1458a_100000181311_100009816398 [0,1,0,0,0,1|0,0,0]=2 3126 B11R0.93 CC[C@H](C)CC(=O)CC[S+](C)C 1458a_100009452791_100009816398 [0,1,0,0,0,1|1,0,0]=3 3127 B11R0.93 CC[C@H](C)CC(=O)CNC(=O)C 1458a_100000194580_100009816398 [0,1,0,0,0,1|1,0,1]=4 3128 B11R0.93 CC[C@H](C)CC(=O)COC(=O)C 1458a_100000183556_100009816398 [0,1,0,0,0,1|1,0,1]=4 3129 B11R0.93 CC[C@H](C)CC(=O)COC(C)C 1458a_100000745533_100009816398 [0,1,0,0,0,1|0,0,0]=2 3130 B11R0.93 CC[C@H](C)CC(=O)COC(F)F 1458a_200000719455_100009816398 [0,1,0,0,0,1|2,0,0]=4 3131 B11R0.93 CC[C@H](C)CC(=O)CSC(=O)C 1458a_100000049016_100009816398 [0,1,0,0,0,1|1,0,1]=4 3132 B11R0.93 CC[C@H](C)CC(=O)CSC(C)C 1458a_100000241585_100009816398 [0,1,0,0,0,1|0,0,0]=2 3133 B11R0.93 CC[C@H](C)CC(=O)CSC(F)F 1458a_114828291038_100009816398 [0,1,0,0,0,1|2,0,0]=4 3134 B11R0.93 CC[C@H](C)CN(C)CCC(C)C 2230a_100000742789_100009816398 [0,1,0,0,0,1|2,0,0]=4 3135 B11R0.93 CC[C@H](C)CN(C)CCC(C)C 269982a_100000742789_100009816398 [0,1,0,0,0,1|2,0,0]=4 3136 B11R0.93 CNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183359 [0,1,0,0,0,1|1,0,1]=4 3137 B11R0.93 CNC(=O)CC(=O)COC(C)C 1458a_100000745533_100000183359 [0,1,0,0,0,1|1,0,1]=4 3138 B11R0.93 CNC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000183359 [0,1,0,0,0,1|1,0,1]=4 3139 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747449 [0,1,0,0,0,1|1,0,1]=4 3140 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000211351_100000210312 [0,1,0,0,0,1|1,0,1]=4 3141 B11R0.93 COC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747449 [0,1,0,0,0,1|1,0,1]=4 3142 B11R0.93 COC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747449 [0,1,0,0,0,1|1,0,1]=4 3143 B11R0.93 COC(=O)CC(=O)CSC(C)C 62a_100000210206_100000210525 [0,1,0,0,0,1|1,0,1]=4 3144 B11R0.93 COC(=O)CC(=O)CSC(C)C 62a_100000210525_100000210206 [0,1,0,0,0,1|1,0,1]=4 3145 B11R0.93 COC(=O)CC(=O)NCC(C)C 240690a_100000210953_100000211351 [0,1,0,0,0,1|1,0,1]=4 3146 B11R0.93 C[C@@H](CO)CC(=O)CC[S+](C)C 1458a_100009452791_100000059175 [0,1,0,0,0,1|1,0,0]=3 3147 B11R0.93 C[C@@H](CO)CC(=O)COC(F)F 1458a_200000719455_100000059175 [0,1,0,0,0,1|2,0,0]=4 3148 B11R0.93 C[C@@H](CO)CC(=O)CSC(F)F 1458a_114828291038_100000059175 [0,1,0,0,0,1|2,0,0]=4 3149 B11R0.93 C[C@H](CF)NC(=O)CCN(C)C 11a_100102880703_100000689311 [0,1,0,0,0,1|2,0,0]=4 3150 B11R0.93 C[C@H](CF)NC(=O)CCN(C)C 240690a_100102880703_100000689311 [0,1,0,0,0,1|2,0,0]=4 3151 B11R0.93 C[C@H](CF)NC(=O)CCN(C)C 527a_100102880703_100000689311 [0,1,0,0,0,1|2,0,0]=4 3152 B11R0.93 C[C@H](CF)NC(=O)CC[S+](C)C 11a_100102880703_100009452791 [0,1,0,0,0,1|2,0,0]=4 3153 B11R0.93 C[C@H](CF)NC(=O)CC[S+](C)C 1626a_100102880703_100009452791 [0,1,0,0,0,1|2,0,0]=4 3154 B11R0.93 C[C@H](CF)NC(=O)CC[S+](C)C 240690a_100102880703_100009452791 [0,1,0,0,0,1|2,0,0]=4 3155 B11R0.93 C[C@H](CO)NC(=O)CCN(C)C 240690a_100000737577_100000689311 [0,1,0,0,0,1|2,0,0]=4 3156 B11R0.93 C[C@H](CO)NC(=O)CCN(C)C 527a_100000737577_100000689311 [0,1,0,0,0,1|2,0,0]=4 3157 B11R0.93 C[C@H](CO)NC(=O)CC[S+](C)C 240690a_100000737577_100009452791 [0,1,0,0,0,1|2,0,0]=4 3158 B11R0.107 C#CC(C)NCC(=O)NC(C)C 2230a_100000707721_100000183996 [0,1,0,0,0,1|1,0,1]=4 3159 B11R0.107 C#CC(C)NCC(=O)NC(C)C 34a_100000707721_100000183996 [0,1,0,0,0,1|1,0,1]=4 3160 B11R0.107 C#CC(C)NCC(=O)OC(C)C 2230a_100000707721_100011215430 [0,1,0,0,0,1|1,0,1]=4 3161 B11R0.107 C#CC(C)NCC(=O)OC(C)C 34a_100000707721_100011215430 [0,1,0,0,0,1|1,0,1]=4 3162 B11R0.107 C#CC(C)SCC(=O)NC(C)C 62a_200000035995_100000183996 [0,1,0,0,0,1|1,0,1]=4 3163 B11R0.107 C#CC(C)SCC(=O)OC(C)C 62a_200000035995_100011215430 [0,1,0,0,0,1|1,0,1]=4 3164 B11R0.107 C#C[C@@H](C)OCC(=O)NC(C)C 34a_100009815206_100000183996 [0,1,0,0,0,1|1,0,1]=4 3165 B11R0.107 C#C[C@@H](C)OCC(=O)NC(C)C 7a_100009815206_100000183996 [0,1,0,0,0,1|1,0,1]=4 3166 B11R0.107 C#C[C@@H](C)OCC(=O)OC(C)C 34a_100009815206_100011215430 [0,1,0,0,0,1|1,0,1]=4 3167 B11R0.107 C#C[C@@H](C)OCC(=O)OC(C)C 7a_100009815206_100011215430 [0,1,0,0,0,1|1,0,1]=4 3168 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [0,1,0,0,0,1|0,0,2]=4 3169 B11R0.107 C=CC(C)OCC(=O)NC(C)C 34a_100000695699_100000183996 [0,1,0,0,0,1|1,0,1]=4 3170 B11R0.107 C=CC(C)OCC(=O)OC(C)C 34a_100000695699_100011215430 [0,1,0,0,0,1|1,0,1]=4 3171 B11R0.107 C=CC(C)SCC(=O)NC(C)C 62a_100011215867_100000183996 [0,1,0,0,0,1|1,0,1]=4 3172 B11R0.107 C=CC(C)SCC(=O)OC(C)C 62a_100011215867_100011215430 [0,1,0,0,0,1|1,0,1]=4 3173 B11R0.107 CC(=CC(=O)NCC(C)CO)C 240690a_100000744482_100000211388 [0,1,0,0,0,1|0,0,2]=4 3174 B11R0.107 CC(=NNC(=O)CC(C)C)CF 4a_100000189787_100000039719 [0,1,0,0,0,1|1,0,1]=4 3175 B11R0.107 CC(=NNC(=O)CC(C)C)CO 4a_100000189787_100000211253 [0,1,0,0,0,1|1,0,1]=4 3176 B11R0.107 CC(C#N)NCC(=O)OC(C)C 2230a_100000737613_100011215430 [0,1,0,0,0,1|1,0,1]=4 3177 B11R0.107 CC(C)CC(=O)NCC(=O)CF 1458a_100000194594_100015361967 [0,1,0,0,0,1|1,0,1]=4 3178 B11R0.107 CC(C)CC(=O)NCC(C)CO 240690a_100000744482_100000210554 [0,1,0,0,0,1|0,0,0]=2 3179 B11R0.107 CC(C)CC(=O)NCC(C)CO 527a_100000744482_100000210554 [0,1,0,0,0,1|0,0,0]=2 3180 B11R0.107 CC(C)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210554 [0,1,0,0,0,1|1,0,0]=3 3181 B11R0.107 CC(C)CC(=O)NC[C@@H](F)CO 527a_100015665980_100000210554 [0,1,0,0,0,1|1,0,0]=3 3182 B11R0.107 CC(C)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000210554 [0,1,0,0,0,1|1,0,0]=3 3183 B11R0.107 CC(C)CC(=O)NC[C@H](O)CO 527a_100020644852_100000210554 [0,1,0,0,0,1|1,0,0]=3 3184 B11R0.107 CC(C)CC(C)NCC(C)CO 34a_100000744482_100000731052 [0,1,0,0,0,1|1,0,1]=4 3185 B11R0.107 CC(C)CC(C)NC[C@@H](C)CO 2230a_100000692259_100000059175 [0,1,0,0,0,1|1,0,1]=4 3186 B11R0.107 CC(C)CC(C)OCC(C)CN 34a_100000744482_100000731052 [0,1,0,0,0,1|1,0,1]=4 3187 B11R0.107 CC(C)CC(C)OC[C@@H](C)CO 34a_100000211805_100000059175 [0,1,0,0,0,1|1,0,1]=4 3188 B11R0.107 CC(C)CC(C)OC[C@@H](C)CO 7a_100000211805_100000059175 [0,1,0,0,0,1|1,0,1]=4 3189 B11R0.107 CC(C)CC(C)SC[C@@H](C)CO 62a_100000059175_100000731052 [0,1,0,0,0,1|1,0,1]=4 3190 B11R0.107 CC(C)CC(C)SC[C@@H](C)CO 62a_100000731052_100000059175 [0,1,0,0,0,1|1,0,1]=4 3191 B11R0.107 CC(C)C[C@H](N)COC(C)CO 34a_100011830311_100012180447 [0,1,0,0,0,1|1,0,1]=4 3192 B11R0.107 CC(C)NC(=O)CNC(C)C#N 2230a_100000168517_100000184139 [0,1,0,0,0,1|1,0,1]=4 3193 B11R0.107 CC(C)NC(=O)CNC(C)C#N 2230a_100000737613_100000183996 [0,1,0,0,0,1|1,0,1]=4 3194 B11R0.107 CC(C)NC(=O)CNC(C)CO 2230a_100000168517_100012180447 [0,1,0,0,0,1|1,0,0]=3 3195 B11R0.107 CC(C)NC(=O)CN[C@H](C)CO 2230a_100000737577_100000183996 [0,1,0,0,0,1|1,0,0]=3 3196 B11R0.107 CC(C)NC(=O)COC(C)C#N 34a_100011218135_100000183996 [0,1,0,0,0,1|1,0,1]=4 3197 B11R0.107 CC(C)NC(=O)COC(C)CF 34a_100016041109_100000183996 [0,1,0,0,0,1|1,0,0]=3 3198 B11R0.107 CC(C)NC(=O)COC(C)CF 7a_100016041109_100000183996 [0,1,0,0,0,1|1,0,0]=3 3199 B11R0.107 CC(C)NC(=O)COC(C)CN 34a_100000210904_100000183996 [0,1,0,0,0,1|1,0,0]=3 3200 B11R0.107 CC(C)NC(=O)CSC(C)C#N 62a_100000183996_100000703298 [0,1,0,0,0,1|1,0,1]=4 3201 B11R0.107 CC(C)NC(=O)CSC(C)C#N 62a_100000703298_100000183996 [0,1,0,0,0,1|1,0,1]=4 3202 B11R0.107 CC(C)NC(=O)CSC(C)CO 62a_100012180447_100000183996 [0,1,0,0,0,1|1,0,0]=3 3203 B11R0.107 CC(C)NC(=O)CS[C@H](C)CO 62a_100000183996_100016084084 [0,1,0,0,0,1|1,0,0]=3 3204 B11R0.107 CC(C)NC(=O)CS[C@H](C)CO 62a_100016084084_100000183996 [0,1,0,0,0,1|1,0,0]=3 3205 B11R0.107 CC(C)NC(=O)NC[C@@H](F)CO 2708a_100138425928_100015665980 [0,1,0,0,0,1|2,0,0]=4 3206 B11R0.107 CC(C)NC(=O)NC[C@@H](F)CO 273464a_100138425928_100015665980 [0,1,0,0,0,1|2,0,0]=4 3207 B11R0.107 CC(C)NC(=O)NC[C@@H](F)CO 512a_100015665980_100138425928 [0,1,0,0,0,1|2,0,0]=4 3208 B11R0.107 CC(C)NC(=O)NC[C@@H](F)CO 512a_100138425928_100015665980 [0,1,0,0,0,1|2,0,0]=4 3209 B11R0.107 CC(C)NC(=O)NC[C@H](O)CO 2708a_100138425928_100020644852 [0,1,0,0,0,1|2,0,0]=4 3210 B11R0.107 CC(C)NC(=O)NC[C@H](O)CO 273464a_100138425928_100020644852 [0,1,0,0,0,1|2,0,0]=4 3211 B11R0.107 CC(C)OC(=O)CN[C@H](C)CO 2230a_100000737577_100011215430 [0,1,0,0,0,1|1,0,0]=3 3212 B11R0.107 CC(C)OC(=O)COC(C)C#N 34a_100011218135_100011215430 [0,1,0,0,0,1|1,0,1]=4 3213 B11R0.107 CC(C)OC(=O)COC(C)CF 34a_100016041109_100011215430 [0,1,0,0,0,1|1,0,0]=3 3214 B11R0.107 CC(C)OC(=O)COC(C)CF 7a_100016041109_100011215430 [0,1,0,0,0,1|1,0,0]=3 3215 B11R0.107 CC(C)OC(=O)COC(C)CN 34a_100000210904_100011215430 [0,1,0,0,0,1|1,0,0]=3 3216 B11R0.107 CC(C)OC(=O)CSC(C)C#N 62a_100000703298_100011215430 [0,1,0,0,0,1|1,0,1]=4 3217 B11R0.107 CC(C)OC(=O)CSC(C)C#N 62a_100011215430_100000703298 [0,1,0,0,0,1|1,0,1]=4 3218 B11R0.107 CC(C)OC(=O)CSC(C)CO 62a_100012180447_100011215430 [0,1,0,0,0,1|1,0,0]=3 3219 B11R0.107 CC(C)OC(=O)CS[C@H](C)CO 62a_100011215430_100016084084 [0,1,0,0,0,1|1,0,0]=3 3220 B11R0.107 CC(C)OC(=O)CS[C@H](C)CO 62a_100016084084_100011215430 [0,1,0,0,0,1|1,0,0]=3 3221 B11R0.107 CC(CO)CNC(=O)CN(C)C 240690a_100000744482_100000750896 [0,1,0,0,0,1|1,0,0]=3 3222 B11R0.107 CC(CO)CNC(=O)CN(C)C 527a_100000744482_100000750896 [0,1,0,0,0,1|1,0,0]=3 3223 B11R0.107 CC(CO)CNC(=O)C[C@@H](C)O 240690a_100000744482_100011933948 [0,1,0,0,0,1|1,0,0]=3 3224 B11R0.107 CC(CO)CNC(=O)C[S+](C)C 240690a_100000744482_200159257847 [0,1,0,0,0,1|1,0,0]=3 3225 B11R0.107 CC(CO)CNC(=O)C[S+](C)C 527a_100000744482_200159257847 [0,1,0,0,0,1|1,0,0]=3 3226 B11R0.107 CC(CO)CNC(=O)NC(C)C 2708a_100138425928_100000744482 [0,1,0,0,0,1|1,0,0]=3 3227 B11R0.107 CC(CO)CNC(=O)NC(C)C 273464a_100138425928_100000744482 [0,1,0,0,0,1|1,0,0]=3 3228 B11R0.107 CC(CO)CNC(=O)NC(C)C 512a_100000744482_100138425928 [0,1,0,0,0,1|1,0,0]=3 3229 B11R0.107 CC(CO)CNC(=O)NC(C)C 512a_100138425928_100000744482 [0,1,0,0,0,1|1,0,0]=3 3230 B11R0.107 CC=C(C)C=CC(=O)CC(C)C 1458a_100000692105_100000210624 [0,1,0,0,0,1|0,0,2]=4 3231 B11R0.107 CCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210202 [0,1,0,0,0,1|1,0,1]=4 3232 B11R0.107 CCC(=O)NCC(=O)CC(C)C 1458a_100000194589_100000210624 [0,1,0,0,0,1|1,0,1]=4 3233 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,1,0,0,0,1|0,0,0]=2 3234 B11R0.107 CCC(C)CCC(=O)CC(C)O 1458a_100000701222_100011218427 [0,1,0,0,0,1|1,0,0]=3 3235 B11R0.107 CCC(C)CCC(=O)CC(F)F 1458a_100000701222_100011934356 [0,1,0,0,0,1|2,0,0]=4 3236 B11R0.107 CCC(C)CCC(=O)NC(C)C 11a_100138425928_100000701222 [0,1,0,0,0,1|1,0,0]=3 3237 B11R0.107 CCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000701222 [0,1,0,0,0,1|1,0,0]=3 3238 B11R0.107 CCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000701222 [0,1,0,0,0,1|1,0,0]=3 3239 B11R0.107 CCC(C)CCC(=O)NC(C)C 527a_100138425928_100000701222 [0,1,0,0,0,1|1,0,0]=3 3240 B11R0.107 CCC(C)CNC(=O)C=C(C)C 11a_100020588543_100000211388 [0,1,0,0,0,1|0,0,2]=4 3241 B11R0.107 CCC(C)CNC(=O)C=C(C)C 1626a_100020588543_100000211388 [0,1,0,0,0,1|0,0,2]=4 3242 B11R0.107 CCC(C)CNC(=O)C=C(C)C 240690a_100020588543_100000211388 [0,1,0,0,0,1|0,0,2]=4 3243 B11R0.107 CCC(C)CNC(=O)CC(C)C 11a_100020588543_100000210554 [0,1,0,0,0,1|0,0,0]=2 3244 B11R0.107 CCC(C)CNC(=O)CC(C)C 1626a_100020588543_100000210554 [0,1,0,0,0,1|0,0,0]=2 3245 B11R0.107 CCC(C)CNC(=O)CC(C)C 240690a_100020588543_100000210554 [0,1,0,0,0,1|0,0,0]=2 3246 B11R0.107 CCC(C)CNC(=O)CC(C)C 527a_100020588543_100000210554 [0,1,0,0,0,1|0,0,0]=2 3247 B11R0.107 CCC(C)CNC(=O)CN(C)C 11a_100020588543_100000750896 [0,1,0,0,0,1|1,0,0]=3 3248 B11R0.107 CCC(C)CNC(=O)CN(C)C 240690a_100020588543_100000750896 [0,1,0,0,0,1|1,0,0]=3 3249 B11R0.107 CCC(C)CNC(=O)CN(C)C 527a_100020588543_100000750896 [0,1,0,0,0,1|1,0,0]=3 3250 B11R0.107 CCC(C)CNC(=O)C[C@@H](C)O 240690a_100020588543_100011933948 [0,1,0,0,0,1|1,0,0]=3 3251 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 11a_100020588543_200159257847 [0,1,0,0,0,1|1,0,0]=3 3252 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 1626a_100020588543_200159257847 [0,1,0,0,0,1|1,0,0]=3 3253 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 240690a_100020588543_200159257847 [0,1,0,0,0,1|1,0,0]=3 3254 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 527a_100020588543_200159257847 [0,1,0,0,0,1|1,0,0]=3 3255 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100020588543_100138425928 [0,1,0,0,0,1|1,0,0]=3 3256 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100138425928_100020588543 [0,1,0,0,0,1|1,0,0]=3 3257 B11R0.107 CCC(C)CNC(=O)NC(C)C 273464a_100138425928_100020588543 [0,1,0,0,0,1|1,0,0]=3 3258 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100020588543_100138425928 [0,1,0,0,0,1|1,0,0]=3 3259 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100138425928_100020588543 [0,1,0,0,0,1|1,0,0]=3 3260 B11R0.107 CCC(C)CNC(C)CC(C)C 2230a_100000692259_100000748023 [0,1,0,0,0,1|1,0,1]=4 3261 B11R0.107 CCC(C)CNC(C)CC(C)C 2230a_100020588543_100000731052 [0,1,0,0,0,1|1,0,1]=4 3262 B11R0.107 CCC(C)CNC(C)CC(C)C 270004a_100000692259_100000243153 [0,1,0,0,0,1|1,0,1]=4 3263 B11R0.107 CCC(C)COC(C)CC(C)C 34a_100000211805_100000748023 [0,1,0,0,0,1|1,0,1]=4 3264 B11R0.107 CCC(C)COC(C)CC(C)C 7a_100000211805_100000748023 [0,1,0,0,0,1|1,0,1]=4 3265 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000731052_100000748023 [0,1,0,0,0,1|1,0,1]=4 3266 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000748023_100000731052 [0,1,0,0,0,1|1,0,1]=4 3267 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000168517_100000758301 [0,1,0,0,0,1|1,0,0]=3 3268 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000209981_100000183996 [0,1,0,0,0,1|1,0,0]=3 3269 B11R0.107 CCC(C)NCC(=O)OC(C)C 2230a_100000209981_100011215430 [0,1,0,0,0,1|1,0,0]=3 3270 B11R0.107 CCC(C)NNC(=O)CC(C)C 22a_100000718999_100000210554 [0,1,0,0,0,1|1,0,0]=3 3271 B11R0.107 CCC(C)NNC(=O)CN(C)C 22a_100000718999_100000750896 [0,1,0,0,0,1|2,0,0]=4 3272 B11R0.107 CCC(C)NNC(=O)C[C@@H](C)O 22a_100000718999_100011933948 [0,1,0,0,0,1|2,0,0]=4 3273 B11R0.107 CCC(C)NNC(=O)C[S+](C)C 22a_100000718999_200159257847 [0,1,0,0,0,1|2,0,0]=4 3274 B11R0.107 CCC(C)NNC(=O)NC(C)C 273464a_100138425928_100000718999 [0,1,0,0,0,1|2,0,0]=4 3275 B11R0.107 CCC(C)NNC(=O)NC(C)C 512a_100000718999_100138425928 [0,1,0,0,0,1|2,0,0]=4 3276 B11R0.107 CCC(C)NNC(=O)NC(C)C 512a_100138425928_100000718999 [0,1,0,0,0,1|2,0,0]=4 3277 B11R0.107 CCC(C)OCC(=O)NC(C)C 7a_100000210228_100000183996 [0,1,0,0,0,1|1,0,0]=3 3278 B11R0.107 CCC(C)OCC(=O)OC(C)C 7a_100000210228_100011215430 [0,1,0,0,0,1|1,0,0]=3 3279 B11R0.107 CCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100011215416 [0,1,0,0,0,1|1,0,1]=4 3280 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000183996_100000758301 [0,1,0,0,0,1|1,0,0]=3 3281 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000758301_100000183996 [0,1,0,0,0,1|1,0,0]=3 3282 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100000758301_100011215430 [0,1,0,0,0,1|1,0,0]=3 3283 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100011215430_100000758301 [0,1,0,0,0,1|1,0,0]=3 3284 B11R0.107 CCC(O)CCC(=O)NC(C)C 1626a_100138425928_203496584001 [0,1,0,0,0,1|2,0,0]=4 3285 B11R0.107 CCC(O)CCC(=O)NC(C)C 240690a_100138425928_203496584001 [0,1,0,0,0,1|2,0,0]=4 3286 B11R0.107 CCC(O)CNC(=O)CC(C)C 11a_100011218483_100000210554 [0,1,0,0,0,1|1,0,0]=3 3287 B11R0.107 CCC(O)CNC(=O)CC(C)C 240690a_100011218483_100000210554 [0,1,0,0,0,1|1,0,0]=3 3288 B11R0.107 CCC(O)CNC(=O)CC(C)C 527a_100011218483_100000210554 [0,1,0,0,0,1|1,0,0]=3 3289 B11R0.107 CCC(O)CNC(=O)CN(C)C 11a_100011218483_100000750896 [0,1,0,0,0,1|2,0,0]=4 3290 B11R0.107 CCC(O)CNC(=O)CN(C)C 240690a_100011218483_100000750896 [0,1,0,0,0,1|2,0,0]=4 3291 B11R0.107 CCC(O)CNC(=O)CN(C)C 527a_100011218483_100000750896 [0,1,0,0,0,1|2,0,0]=4 3292 B11R0.107 CCC(O)CNC(=O)C[C@@H](C)O 240690a_100011218483_100011933948 [0,1,0,0,0,1|2,0,0]=4 3293 B11R0.107 CCC(O)CNC(=O)C[S+](C)C 11a_100011218483_200159257847 [0,1,0,0,0,1|2,0,0]=4 3294 B11R0.107 CCC(O)CNC(=O)C[S+](C)C 240690a_100011218483_200159257847 [0,1,0,0,0,1|2,0,0]=4 3295 B11R0.107 CCC(O)CNC(=O)C[S+](C)C 527a_100011218483_200159257847 [0,1,0,0,0,1|2,0,0]=4 3296 B11R0.107 CCC(O)CNC(=O)NC(C)C 2708a_100138425928_100011218483 [0,1,0,0,0,1|2,0,0]=4 3297 B11R0.107 CCC(O)CNC(=O)NC(C)C 273464a_100138425928_100011218483 [0,1,0,0,0,1|2,0,0]=4 3298 B11R0.107 CCC(O)CNC(=O)NC(C)C 512a_100011218483_100138425928 [0,1,0,0,0,1|2,0,0]=4 3299 B11R0.107 CCN(C)CCC(=O)CC(C)C 1458a_100000755305_100000210624 [0,1,0,0,0,1|1,0,0]=3 3300 B11R0.107 CCN(C)CCC(=O)CC(C)O 1458a_100000755305_100011218427 [0,1,0,0,0,1|2,0,0]=4 3301 B11R0.107 CCN(C)CCC(=O)NC(C)C 2230a_100000225621_100000737564 [0,1,0,0,0,1|2,0,0]=4 3302 B11R0.107 CCN(C)CCC(=O)NC(C)C 240690a_100138425928_100000755305 [0,1,0,0,0,1|2,0,0]=4 3303 B11R0.107 CCN(C)CCC(=O)NC(C)C 269982a_100000225621_100000737564 [0,1,0,0,0,1|2,0,0]=4 3304 B11R0.107 CCN(C)CCC(=O)OC(C)C 2230a_100000225621_100000760027 [0,1,0,0,0,1|2,0,0]=4 3305 B11R0.107 CCN(C)CCC(=O)OC(C)C 269982a_100000225621_100000760027 [0,1,0,0,0,1|2,0,0]=4 3306 B11R0.107 CCN(C)COC(=O)OC(C)C 269982a_100000225621_100010125566 [0,1,0,0,0,1|2,0,0]=4 3307 B11R0.107 CCS(=O)CCC(=O)CC(C)C 1458a_100011387550_100000210624 [0,1,0,0,0,1|2,0,0]=4 3308 B11R0.107 CC[C@H](C)CNC(C)CC(C)C 2230a_100000692259_100009816398 [0,1,0,0,0,1|1,0,1]=4 3309 B11R0.107 CC[C@H](C)COC(C)CC(C)C 34a_100000211805_100009816398 [0,1,0,0,0,1|1,0,1]=4 3310 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100000211805_100009816398 [0,1,0,0,0,1|1,0,1]=4 3311 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100009816381_100000731052 [0,1,0,0,0,1|1,0,1]=4 3312 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100000731052_100009816398 [0,1,0,0,0,1|1,0,1]=4 3313 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100009816398_100000731052 [0,1,0,0,0,1|1,0,1]=4 3314 B11R0.107 CN(C)CC(=O)NCC(O)CO 2230a_100102631434_200012027429 [0,1,0,0,0,1|2,0,0]=4 3315 B11R0.107 CN(C)CC(=O)NCC(O)CO 269982a_100102631434_200012027429 [0,1,0,0,0,1|2,0,0]=4 3316 B11R0.107 CN(C)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000750896 [0,1,0,0,0,1|2,0,0]=4 3317 B11R0.107 CN(C)CC(=O)NC[C@@H](F)CO 527a_100015665980_100000750896 [0,1,0,0,0,1|2,0,0]=4 3318 B11R0.107 CN(C)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000750896 [0,1,0,0,0,1|2,0,0]=4 3319 B11R0.107 CN(C)CC(=O)NC[C@H](O)CO 527a_100020644852_100000750896 [0,1,0,0,0,1|2,0,0]=4 3320 B11R0.107 CNC(=O)CCC(=O)CC(C)C 1458a_100011309844_100000210624 [0,1,0,0,0,1|1,0,1]=4 3321 B11R0.107 CNC(=O)CNC(=O)CC(C)C 11a_100000693194_100000210554 [0,1,0,0,0,1|1,0,1]=4 3322 B11R0.107 CNC(=O)CNC(=O)CC(C)C 11a_106832991635_100000194594 [0,1,0,0,0,1|1,0,1]=4 3323 B11R0.107 CNC(=O)CNC(=O)CC(C)C 1626a_100102657272_100000194594 [0,1,0,0,0,1|1,0,1]=4 3324 B11R0.107 CNC(=O)CNC(=O)CC(C)C 240690a_100000693194_100000210554 [0,1,0,0,0,1|1,0,1]=4 3325 B11R0.107 CNC(=O)CNC(=O)CC(C)C 240690a_100102657272_100000194594 [0,1,0,0,0,1|1,0,1]=4 3326 B11R0.107 CNC(=O)CNC(=O)CC(C)C 527a_100000693194_100000210554 [0,1,0,0,0,1|1,0,1]=4 3327 B11R0.107 CNC(=O)CNC(=O)CC(C)C 527a_100102657272_100000194594 [0,1,0,0,0,1|1,0,1]=4 3328 B11R0.107 COC(=O)CCC(=O)CC(C)C 1458a_100000187943_100000210624 [0,1,0,0,0,1|1,0,1]=4 3329 B11R0.107 COC(=O)CNC(=O)CC(C)C 188690a_100000185156_100000210554 [0,1,0,0,0,1|1,0,1]=4 3330 B11R0.107 COC(=O)NCC(=O)CC(C)C 1458a_100000215747_100000210624 [0,1,0,0,0,1|1,0,1]=4 3331 B11R0.107 COC(C)COC(C)CC(C)C 34a_100000690652_100000731052 [0,1,0,0,0,1|1,0,1]=4 3332 B11R0.107 COC(C)SCC(=O)NC(C)C 62a_100000183996_100009879195 [0,1,0,0,0,1|1,0,0]=3 3333 B11R0.107 COC(C)SCC(=O)NC(C)C 62a_100009879195_100000183996 [0,1,0,0,0,1|1,0,0]=3 3334 B11R0.107 COC(C)SCC(=O)OC(C)C 62a_100009879195_100011215430 [0,1,0,0,0,1|1,0,0]=3 3335 B11R0.107 COC(C)SCC(=O)OC(C)C 62a_100011215430_100009879195 [0,1,0,0,0,1|1,0,0]=3 3336 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 11a_100020591295_100000211388 [0,1,0,0,0,1|0,0,2]=4 3337 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 1626a_100020591295_100000211388 [0,1,0,0,0,1|0,0,2]=4 3338 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 240690a_100020591295_100000211388 [0,1,0,0,0,1|0,0,2]=4 3339 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 11a_100020591295_100000210554 [0,1,0,0,0,1|0,0,0]=2 3340 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 1626a_100020591295_100000210554 [0,1,0,0,0,1|0,0,0]=2 3341 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 240690a_100020591295_100000210554 [0,1,0,0,0,1|0,0,0]=2 3342 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 527a_100020591295_100000210554 [0,1,0,0,0,1|0,0,0]=2 3343 B11R0.107 CO[C@H](C)CNC(=O)CN(C)C 11a_100020591295_100000750896 [0,1,0,0,0,1|1,0,0]=3 3344 B11R0.107 CO[C@H](C)CNC(=O)CN(C)C 240690a_100020591295_100000750896 [0,1,0,0,0,1|1,0,0]=3 3345 B11R0.107 CO[C@H](C)CNC(=O)CN(C)C 527a_100020591295_100000750896 [0,1,0,0,0,1|1,0,0]=3 3346 B11R0.107 CO[C@H](C)CNC(=O)C[C@@H](C)O 240690a_100020591295_100011933948 [0,1,0,0,0,1|1,0,0]=3 3347 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 11a_100020591295_200159257847 [0,1,0,0,0,1|1,0,0]=3 3348 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 1626a_100020591295_200159257847 [0,1,0,0,0,1|1,0,0]=3 3349 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 240690a_100020591295_200159257847 [0,1,0,0,0,1|1,0,0]=3 3350 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 527a_100020591295_200159257847 [0,1,0,0,0,1|1,0,0]=3 3351 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 2708a_100020591295_100138425928 [0,1,0,0,0,1|1,0,0]=3 3352 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 2708a_100138425928_100020591295 [0,1,0,0,0,1|1,0,0]=3 3353 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 273464a_100138425928_100020591295 [0,1,0,0,0,1|1,0,0]=3 3354 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 512a_100020591295_100138425928 [0,1,0,0,0,1|1,0,0]=3 3355 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 512a_100138425928_100020591295 [0,1,0,0,0,1|1,0,0]=3 3356 B11R0.107 CO[C@H](C)CNC(C)CC(C)C 2230a_100020591295_100000731052 [0,1,0,0,0,1|1,0,1]=4 3357 B11R0.107 C[C@@H](O)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100011933948 [0,1,0,0,0,1|2,0,0]=4 3358 B11R0.107 C[C@@H](O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100011933948 [0,1,0,0,0,1|2,0,0]=4 3359 B11R0.107 C[S+](C)CC(=O)NC[C@@H](F)CO 240690a_100015665980_200159257847 [0,1,0,0,0,1|2,0,0]=4 3360 B11R0.107 C[S+](C)CC(=O)NC[C@@H](F)CO 527a_100015665980_200159257847 [0,1,0,0,0,1|2,0,0]=4 3361 B11R0.107 C[S+](C)CC(=O)NC[C@H](O)CO 240690a_100020644852_200159257847 [0,1,0,0,0,1|2,0,0]=4 3362 B11R0.107 C[S+](C)CC(=O)NC[C@H](O)CO 527a_100020644852_200159257847 [0,1,0,0,0,1|2,0,0]=4 3363 B11R0.143 C#CC(CC(C)C)OCC(C)C 34a_100011215986_100000210624 [0,1,0,0,0,1|1,0,1]=4 3364 B11R0.143 C#CC(CC(C)C)OCC(C)C 7a_100011215986_100000210760 [0,1,0,0,0,1|1,0,1]=4 3365 B11R0.143 C=CC(CC(C)C)OCC(C)C 34a_100012186643_100000210624 [0,1,0,0,0,1|1,0,1]=4 3366 B11R0.143 C=CC(CC(C)C)OCC(C)C 7a_100012186643_100000210760 [0,1,0,0,0,1|1,0,1]=4 3367 B11R0.143 CC(C)CC(CN)COC(C)C 34a_200000723437_100000210206 [0,1,0,0,0,1|1,0,1]=4 3368 B11R0.143 CC(C)CC(CO)CNC(C)C 34a_200000723437_100000210206 [0,1,0,0,0,1|0,0,2]=4 3369 B11R0.143 CC(C)CNC(C#N)CC(C)C 2230a_100000741378_100000210760 [0,1,0,0,0,1|1,0,1]=4 3370 B11R0.143 CC(C)CNC(C#N)CC(C)C 270004a_100000741378_100000210432 [0,1,0,0,0,1|1,0,1]=4 3371 B11R0.143 CC(C)CN[C@H](CO)CC(C)C 2230a_100011830311_100000210760 [0,1,0,0,0,1|0,0,2]=4 3372 B11R0.143 CC(C)CN[C@H](CO)CC(C)C 270004a_100011830311_100000210432 [0,1,0,0,0,1|0,0,2]=4 3373 B11R0.143 CC(C)CN[C@H](CO)CC(C)C 34a_100011830311_100000210624 [0,1,0,0,0,1|0,0,2]=4 3374 B11R0.143 CC(C)COC(C#N)CC(C)C 34a_200011294978_100000210624 [0,1,0,0,0,1|1,0,1]=4 3375 B11R0.143 CC(C)COC(C#N)CC(C)C 7a_200011294978_100000210760 [0,1,0,0,0,1|1,0,1]=4 3376 B11R0.143 CCC(=NNC(C)C)CC(C)C 4a_100000741168_100011218768 [0,1,0,0,0,1|2,0,0]=4 3377 B11R0.143 CCC(COC(C)C)CC(C)C 34a_100012186708_100000210206 [0,1,0,0,0,1|1,0,1]=4 3378 B11R0.143 CCC(COC(C)C)CC(C)C 7a_100012186708_100000210206 [0,1,0,0,0,1|1,0,1]=4 3379 B11R0.143 CCN(CCC(C)C)CC(C)C 2230a_100000207693_100000210760 [0,1,0,0,0,1|2,0,0]=4 3380 B11R0.143 CCN(CCC(C)C)CC(C)C 2230a_100000738554_100000210312 [0,1,0,0,0,1|2,0,0]=4 3381 B11R0.143 CCN(CCC(C)C)CC(C)C 269982a_100000207693_100000210624 [0,1,0,0,0,1|2,0,0]=4 3382 B11R0.143 CCN(CCC(C)C)CC(C)C 269982a_100000738554_100000210312 [0,1,0,0,0,1|2,0,0]=4 3383 B11R0.143 CCN(CCC(C)C)CC(C)C 270004a_100000207693_100000210432 [0,1,0,0,0,1|2,0,0]=4 3384 B11R0.143 CCN(COC(C)C)CC(C)C 2230a_100000738554_100000709892 [0,1,0,0,0,1|2,0,0]=4 3385 B11R0.143 CCN(COC(C)C)CC(C)C 269982a_100000738554_100000709892 [0,1,0,0,0,1|2,0,0]=4 3386 B11R0.149 C=C(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000748629 [0,1,0,0,0,1|0,0,2]=4 3387 B11R0.149 C=C(C)CN(C)C(=O)CC(C)C 11a_100000225649_100000210554 [0,1,0,0,0,1|0,0,2]=4 3388 B11R0.149 C=C(C)CN(C)C(=O)CC(C)C 1626a_100000225649_100000210554 [0,1,0,0,0,1|0,0,2]=4 3389 B11R0.149 C=C(C)CN(C)C(=O)CC(C)C 527a_100000225649_100000210554 [0,1,0,0,0,1|0,0,2]=4 3390 B11R0.149 CC(=CC(=O)C(C)CC(C)C)C 1458a_100000211388_100000731052 [0,1,0,0,0,1|0,0,2]=4 3391 B11R0.149 CC(=CC(=O)N(C)CC(C)C)C 11a_100000747067_100000211388 [0,1,0,0,0,1|0,0,2]=4 3392 B11R0.149 CC(=CC(=O)N(C)CC(C)C)C 1626a_100000747067_100000211388 [0,1,0,0,0,1|0,0,2]=4 3393 B11R0.149 CC(=CC(=O)N(C)CC(C)C)C 240690a_100000747067_100000211388 [0,1,0,0,0,1|0,0,2]=4 3394 B11R0.149 CC(=O)N[C@H](C)C(=O)CC(C)C 1458a_100011504603_100000210624 [0,1,0,0,0,1|1,0,1]=4 3395 B11R0.149 CC(=O)OC(C)C(=O)CC(C)C 1458a_100000210554_100009818208 [0,1,0,0,0,1|1,0,1]=4 3396 B11R0.149 CC(=O)O[C@@H](C)C(=O)CC(C)C 1458a_100009816467_100000210624 [0,1,0,0,0,1|1,0,1]=4 3397 B11R0.149 CC(C)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000210624 [0,1,0,0,0,1|0,0,1]=3 3398 B11R0.149 CC(C)CC(=O)C(C)CC(C)C 1458a_100000210554_100000731052 [0,1,0,0,0,1|0,0,0]=2 3399 B11R0.149 CC(C)CC(=O)C(C)CN(C)C 1458a_200015186601_100000210624 [0,1,0,0,0,1|1,0,0]=3 3400 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 11a_100000747067_100000210554 [0,1,0,0,0,1|0,0,0]=2 3401 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 1626a_100000747067_100000210554 [0,1,0,0,0,1|0,0,0]=2 3402 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 240690a_100000747067_100000210554 [0,1,0,0,0,1|0,0,0]=2 3403 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 527a_100000747067_100000210554 [0,1,0,0,0,1|0,0,0]=2 3404 B11R0.149 CC(C)CC(=O)N(C)CC(C)O 240690a_100000227577_100000210554 [0,1,0,0,0,1|1,0,0]=3 3405 B11R0.149 CC(C)CC(=O)N(C)CC(C)O 527a_100000227577_100000210554 [0,1,0,0,0,1|1,0,0]=3 3406 B11R0.149 CC(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210624 [0,1,0,0,0,1|0,0,0]=2 3407 B11R0.149 CC(C)CC(C)C(=O)CN(C)C 1458a_100000750896_100000731052 [0,1,0,0,0,1|1,0,0]=3 3408 B11R0.149 CC(C)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000731052 [0,1,0,0,0,1|1,0,0]=3 3409 B11R0.149 CC(C)CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000731052 [0,1,0,0,0,1|1,0,0]=3 3410 B11R0.149 CC(C)CC(C)N(C)CC(C)C 2230a_100000745462_100000210760 [0,1,0,0,0,1|1,0,1]=4 3411 B11R0.149 CC(C)CC(C)N(C)CC(C)C 2230a_100000747067_100000731052 [0,1,0,0,0,1|1,0,1]=4 3412 B11R0.149 CC(C)CC(C)N(C)CC(C)C 269982a_100000745462_100000210624 [0,1,0,0,0,1|1,0,1]=4 3413 B11R0.149 CC(C)CC(C)N(C)CC(C)C 269982a_100000747067_100000731052 [0,1,0,0,0,1|1,0,1]=4 3414 B11R0.149 CC(C)CC(C)N(C)CC(C)C 270004a_100000745462_100000210432 [0,1,0,0,0,1|1,0,1]=4 3415 B11R0.149 CC(C)CN(C)C(=O)CN(C)C 11a_100000747067_100000750896 [0,1,0,0,0,1|1,0,0]=3 3416 B11R0.149 CC(C)CN(C)C(=O)CN(C)C 240690a_100000747067_100000750896 [0,1,0,0,0,1|1,0,0]=3 3417 B11R0.149 CC(C)CN(C)C(=O)CN(C)C 527a_100000747067_100000750896 [0,1,0,0,0,1|1,0,0]=3 3418 B11R0.149 CC(C)CN(C)C(=O)C[C@@H](C)O 240690a_100000747067_100011933948 [0,1,0,0,0,1|1,0,0]=3 3419 B11R0.149 CC(C)CN(C)C(=O)C[S+](C)C 11a_100000747067_200159257847 [0,1,0,0,0,1|1,0,0]=3 3420 B11R0.149 CC(C)CN(C)C(=O)C[S+](C)C 1626a_100000747067_200159257847 [0,1,0,0,0,1|1,0,0]=3 3421 B11R0.149 CC(C)CN(C)C(=O)C[S+](C)C 240690a_100000747067_200159257847 [0,1,0,0,0,1|1,0,0]=3 3422 B11R0.149 CC(C)CN(C)C(=O)C[S+](C)C 527a_100000747067_200159257847 [0,1,0,0,0,1|1,0,0]=3 3423 B11R0.149 CC(C)CN(C)C(=O)NC(C)C 2708a_100138425928_100000747067 [0,1,0,0,0,1|1,0,0]=3 3424 B11R0.149 CC(C)CN(C)C(=O)NC(C)C 273464a_100138425928_100000747067 [0,1,0,0,0,1|1,0,0]=3 3425 B11R0.149 CC(C)C[C@H](O)C(=O)CC(C)O 1458a_100012027011_100011218427 [0,1,0,0,0,1|1,0,0]=3 3426 B11R0.149 CC(C)C[C@H](O)C(=O)CC(F)F 1458a_100012027011_100011934356 [0,1,0,0,0,1|2,0,0]=4 3427 B11R0.149 CC(C)C[C@H](O)C(=O)NC(C)C 1626a_100138425928_100012027011 [0,1,0,0,0,1|1,0,0]=3 3428 B11R0.149 CC(C)C[C@H](O)C(=O)NC(C)C 240690a_100138425928_100012027011 [0,1,0,0,0,1|1,0,0]=3 3429 B11R0.149 CC(C)NC(=O)C(=O)NC(C)C 1626a_100138425928_100011220036 [0,1,0,0,0,1|1,0,1]=4 3430 B11R0.149 CC(C)NC(=O)C(=O)NC(C)C 240690a_100138425928_100011220036 [0,1,0,0,0,1|1,0,1]=4 3431 B11R0.149 CC(C)NC(=O)C(=O)NC(C)C 527a_100138425928_100011220036 [0,1,0,0,0,1|1,0,1]=4 3432 B11R0.149 CC(C)NC(=O)C(C)CN(C)C 1626a_100138425928_200015186601 [0,1,0,0,0,1|2,0,0]=4 3433 B11R0.149 CC(C)NC(=O)C(C)CN(C)C 240690a_100138425928_200015186601 [0,1,0,0,0,1|2,0,0]=4 3434 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 2230a_100015205314_100000210206 [0,1,0,0,0,1|1,0,0]=3 3435 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 2230a_100138425928_100000195394 [0,1,0,0,0,1|1,0,0]=3 3436 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 34a_100015205314_100000210206 [0,1,0,0,0,1|1,0,0]=3 3437 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 34a_100138425928_100000195394 [0,1,0,0,0,1|1,0,0]=3 3438 B11R0.149 CC(C)NC(=O)C(C)OC(C)C 34a_100000212225_100000195394 [0,1,0,0,0,1|1,0,0]=3 3439 B11R0.149 CC(C)NC(=O)C(C)SC(C)C 62a_100000195394_100000210206 [0,1,0,0,0,1|1,0,0]=3 3440 B11R0.149 CC(C)NC(=O)C(C)SC(C)C 62a_100000210206_100000195394 [0,1,0,0,0,1|1,0,0]=3 3441 B11R0.149 CC(C)OC(=O)[C@@H](C)OC(C)C 34a_100015307928_100000210206 [0,1,0,0,0,1|1,0,0]=3 3442 B11R0.149 CC(C)OC(=O)[C@@H](C)OC(C)C 7a_100015307928_100000210206 [0,1,0,0,0,1|1,0,0]=3 3443 B11R0.149 CC(O)CC(=O)C(=O)NC(C)C 1458a_100011220036_100011218427 [0,1,0,0,0,1|1,0,1]=4 3444 B11R0.149 CC(O)CC(=O)C(C)CN(C)C 1458a_200015186601_100011218427 [0,1,0,0,0,1|2,0,0]=4 3445 B11R0.149 CC(O)CN(C)C(=O)CN(C)C 240690a_100000227577_100000750896 [0,1,0,0,0,1|2,0,0]=4 3446 B11R0.149 CC(O)CN(C)C(=O)CN(C)C 527a_100000227577_100000750896 [0,1,0,0,0,1|2,0,0]=4 3447 B11R0.149 CC(O)CN(C)C(=O)C[C@@H](C)O 240690a_100000227577_100011933948 [0,1,0,0,0,1|2,0,0]=4 3448 B11R0.149 CC(O)CN(C)C(=O)C[S+](C)C 240690a_100000227577_200159257847 [0,1,0,0,0,1|2,0,0]=4 3449 B11R0.149 CC(O)CN(C)C(=O)C[S+](C)C 527a_100000227577_200159257847 [0,1,0,0,0,1|2,0,0]=4 3450 B11R0.149 CC(O)CN(C)C(=O)NC(C)C 2708a_100138425928_100000227577 [0,1,0,0,0,1|2,0,0]=4 3451 B11R0.173 C=C(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000730704 [0,1,0,0,0,1|0,0,2]=4 3452 B11R0.173 C=C(C)CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000730704 [0,1,0,0,0,1|0,0,2]=4 3453 B11R0.173 C=C(C)CNC(=O)C(C)C(C)C 11a_100000765925_100000755409 [0,1,0,0,0,1|0,0,2]=4 3454 B11R0.173 C=C(C)CNC(=O)C(C)C(C)C 1626a_100000765925_100000755409 [0,1,0,0,0,1|0,0,2]=4 3455 B11R0.173 C=C(C)CNC(=O)C(C)C(C)C 240690a_100000765925_100000755409 [0,1,0,0,0,1|0,0,2]=4 3456 B11R0.173 C=C(C)CNC(=O)C(C)C(C)C 527a_100000765925_100000755409 [0,1,0,0,0,1|0,0,2]=4 3457 B11R0.173 C=C(C)CNC(=O)[C@H](O)C(C)C 240690a_100000765925_100000691806 [0,1,0,0,0,1|0,0,2]=4 3458 B11R0.173 CC(=CCC(=O)C(C)C(C)C)C 1458a_100000755409_100000761012 [0,1,0,0,0,1|0,0,1]=3 3459 B11R0.173 CC(=CCC(=O)N(C)C(C)C)C 11a_200000211004_100011220947 [0,1,0,0,0,1|1,0,1]=4 3460 B11R0.173 CC(=CCC(=O)N(C)C(C)C)C 1626a_200000211004_100011220947 [0,1,0,0,0,1|1,0,1]=4 3461 B11R0.173 CC(=CCC(=O)N(C)C(C)C)C 240690a_200000211004_100011220947 [0,1,0,0,0,1|1,0,1]=4 3462 B11R0.173 CC(=CCC(=O)N(C)C(C)C)C 527a_200000211004_100011220947 [0,1,0,0,0,1|1,0,1]=4 3463 B11R0.173 CC(=CCC(=O)[C@H](C)N(C)C)C 1458a_100009822176_100000761012 [0,1,0,0,0,1|1,0,1]=4 3464 B11R0.173 CC(=CCC(=O)[C@H](O)C(C)C)C 1458a_100000691806_100000761012 [0,1,0,0,0,1|0,0,1]=3 3465 B11R0.173 CC(=O)C(C)C(=O)CCC(C)C 1458a_100000181311_100000179758 [0,1,0,0,0,1|1,0,1]=4 3466 B11R0.173 CC(=O)C(C)C(=O)COC(C)C 1458a_100000745533_100000179758 [0,1,0,0,0,1|1,0,1]=4 3467 B11R0.173 CC(=O)C(C)C(=O)CSC(C)C 1458a_100000241585_100000179758 [0,1,0,0,0,1|1,0,1]=4 3468 B11R0.173 CC(=O)C(C)C(=O)NCC(C)C 1458a_100000070787_100000230289 [0,1,0,0,0,1|1,0,1]=4 3469 B11R0.173 CC(C)C(C)C(=O)NCC(F)F 11a_100000765723_100000755409 [0,1,0,0,0,1|2,0,0]=4 3470 B11R0.173 CC(C)C(C)C(=O)NCC(F)F 1626a_100000765723_100000755409 [0,1,0,0,0,1|2,0,0]=4 3471 B11R0.173 CC(C)C(C)C(=O)NCC(F)F 240690a_100000765723_100000755409 [0,1,0,0,0,1|2,0,0]=4 3472 B11R0.173 CC(C)C(C)C(=O)NCC(F)F 527a_100000765723_100000755409 [0,1,0,0,0,1|2,0,0]=4 3473 B11R0.173 CC(C)C=CC(=O)N(C)C(C)C 11a_200000211004_100016268746 [0,1,0,0,0,1|1,0,1]=4 3474 B11R0.173 CC(C)C=CC(=O)N(C)C(C)C 1626a_200000211004_100016268746 [0,1,0,0,0,1|1,0,1]=4 3475 B11R0.173 CC(C)C=CC(=O)N(C)C(C)C 240690a_200000211004_100016268746 [0,1,0,0,0,1|1,0,1]=4 3476 B11R0.173 CC(C)CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210312 [0,1,0,0,0,1|1,0,1]=4 3477 B11R0.173 CC(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000210312 [0,1,0,0,0,1|0,0,0]=2 3478 B11R0.173 CC(C)CCC(=O)N(C)C(C)C 11a_200000211004_100000181311 [0,1,0,0,0,1|1,0,0]=3 3479 B11R0.173 CC(C)CCC(=O)N(C)C(C)C 1626a_200000211004_100000181311 [0,1,0,0,0,1|1,0,0]=3 3480 B11R0.173 CC(C)CCC(=O)N(C)C(C)C 240690a_200000211004_100000181311 [0,1,0,0,0,1|1,0,0]=3 3481 B11R0.173 CC(C)CCC(=O)N(C)C(C)C 527a_200000211004_100000181311 [0,1,0,0,0,1|1,0,0]=3 3482 B11R0.173 CC(C)CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210312 [0,1,0,0,0,1|1,0,0]=3 3483 B11R0.173 CC(C)CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210312 [0,1,0,0,0,1|0,0,0]=2 3484 B11R0.173 CC(C)CCN(C)C(C)C(C)C 2230a_100000228512_100000210312 [0,1,0,0,0,1|2,0,0]=4 3485 B11R0.173 CC(C)CCN(C)C(C)C(C)C 269982a_100000228512_100000210312 [0,1,0,0,0,1|2,0,0]=4 3486 B11R0.173 CC(C)CNC(=O)C(=O)C(C)C 1458a_200011297155_100000210206 [0,1,0,0,0,1|0,0,1]=3 3487 B11R0.173 CC(C)CNC(=O)C(=O)N(C)C 1626a_100000210953_100011218876 [0,1,0,0,0,1|1,0,1]=4 3488 B11R0.173 CC(C)CNC(=O)C(=O)N(C)C 1626a_100102631434_200011297155 [0,1,0,0,0,1|1,0,1]=4 3489 B11R0.173 CC(C)CNC(=O)C(=O)N(C)C 240690a_100000210953_100011218876 [0,1,0,0,0,1|1,0,1]=4 3490 B11R0.173 CC(C)CNC(=O)C(=O)N(C)C 240690a_100102631434_200011297155 [0,1,0,0,0,1|1,0,1]=4 3491 B11R0.173 CC(C)CNC(=O)C(=O)N(C)C 527a_100000210953_100011218876 [0,1,0,0,0,1|1,0,1]=4 3492 B11R0.173 CC(C)CNC(=O)C(=O)N(C)C 527a_100102631434_200011297155 [0,1,0,0,0,1|1,0,1]=4 3493 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 11a_100000210953_100000755409 [0,1,0,0,0,1|0,0,0]=2 3494 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 1626a_100000210953_100000755409 [0,1,0,0,0,1|0,0,0]=2 3495 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 240690a_100000210953_100000755409 [0,1,0,0,0,1|0,0,0]=2 3496 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 527a_100000210953_100000755409 [0,1,0,0,0,1|0,0,0]=2 3497 B11R0.173 CC(C)CNC(=O)C(C)N(C)C 2230a_100102631434_100000230289 [0,1,0,0,0,1|1,0,0]=3 3498 B11R0.173 CC(C)CNC(=O)C(C)N(C)C 269982a_100102631434_100000230289 [0,1,0,0,0,1|1,0,0]=3 3499 B11R0.173 CC(C)CNC(=O)N(C)C(C)C 2708a_100000210953_200000211004 [0,1,0,0,0,1|1,0,0]=3 3500 B11R0.173 CC(C)CNC(=O)N(C)C(C)C 273464a_100000210953_200000211004 [0,1,0,0,0,1|1,0,0]=3 3501 B11R0.173 CC(C)CNC(=O)[C@H](C)N(C)C 240690a_100000210953_100009822176 [0,1,0,0,0,1|1,0,0]=3 3502 B11R0.173 CC(C)CNC(=O)[C@H](C)N(C)C 527a_100000210953_100009822176 [0,1,0,0,0,1|1,0,0]=3 3503 B11R0.173 CC(C)CNC(=O)[C@H](O)C(C)C 240690a_100000210953_100000691806 [0,1,0,0,0,1|0,0,0]=2 3504 B11R0.173 CC(C)N(C)C(=O)CCN(C)C 11a_200000211004_100000689311 [0,1,0,0,0,1|2,0,0]=4 3505 B11R0.173 CC(C)N(C)C(=O)CCN(C)C 240690a_200000211004_100000689311 [0,1,0,0,0,1|2,0,0]=4 3506 B11R0.173 CC(C)N(C)C(=O)CCN(C)C 527a_200000211004_100000689311 [0,1,0,0,0,1|2,0,0]=4 3507 B11R0.173 CC(C)N(C)C(=O)CC[S+](C)C 11a_200000211004_100009452791 [0,1,0,0,0,1|2,0,0]=4 3508 B11R0.173 CC(C)N(C)C(=O)CC[S+](C)C 1626a_200000211004_100009452791 [0,1,0,0,0,1|2,0,0]=4 3509 B11R0.173 CC(C)N(C)C(=O)CC[S+](C)C 240690a_200000211004_100009452791 [0,1,0,0,0,1|2,0,0]=4 3510 B11R0.173 CC(C)NCC(=O)N(C)C(C)C 2230a_100138425928_100000230190 [0,1,0,0,0,1|1,0,0]=3 3511 B11R0.173 CC(C)NCC(=O)N(C)C(C)C 34a_100138425928_100000230190 [0,1,0,0,0,1|1,0,0]=3 3512 B11R0.173 CC(C)NNC(=O)C(C)C(C)C 22a_100000741168_100000755409 [0,1,0,0,0,1|1,0,0]=3 3513 B11R0.173 CC(C)NNC(=O)[C@H](C)N(C)C 22a_100000741168_100009822176 [0,1,0,0,0,1|2,0,0]=4 3514 B11R0.173 CC(C)NNC(=O)[C@H](O)C(C)C 22a_100000741168_100000691806 [0,1,0,0,0,1|1,0,0]=3 3515 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 11a_200000211004_100000745533 [0,1,0,0,0,1|1,0,0]=3 3516 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 1626a_200000211004_100000745533 [0,1,0,0,0,1|1,0,0]=3 3517 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 240690a_200000211004_100000745533 [0,1,0,0,0,1|1,0,0]=3 3518 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 34a_100000212225_100000230190 [0,1,0,0,0,1|1,0,0]=3 3519 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 527a_200000211004_100000745533 [0,1,0,0,0,1|1,0,0]=3 3520 B11R0.173 CC(C)OCN(C)C(C)C(C)C 2230a_100000228512_100000709892 [0,1,0,0,0,1|2,0,0]=4 3521 B11R0.173 CC(C)OCN(C)C(C)C(C)C 269982a_100000228512_100000709892 [0,1,0,0,0,1|2,0,0]=4 3522 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 11a_200000211004_100000241585 [0,1,0,0,0,1|1,0,0]=3 3523 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 1626a_200000211004_100000241585 [0,1,0,0,0,1|1,0,0]=3 3524 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 240690a_200000211004_100000241585 [0,1,0,0,0,1|1,0,0]=3 3525 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 527a_200000211004_100000241585 [0,1,0,0,0,1|1,0,0]=3 3526 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 62a_100000210206_100000230190 [0,1,0,0,0,1|1,0,0]=3 3527 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 62a_100000230190_100000210206 [0,1,0,0,0,1|1,0,0]=3 3528 B11R0.173 CC(C)[C@@H](O)C(=O)NCC(F)F 240690a_100000765723_100000691806 [0,1,0,0,0,1|2,0,0]=4 3529 B11R0.173 CC(O)CCC(=O)C(C)C(C)C 1458a_100000755409_100012276601 [0,1,0,0,0,1|1,0,0]=3 3530 B11R0.173 CC(O)CCC(=O)N(C)C(C)C 1626a_200000211004_100000718519 [0,1,0,0,0,1|2,0,0]=4 3531 B11R0.173 CC(O)CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100012276601 [0,1,0,0,0,1|2,0,0]=4 3532 B11R0.173 CC(O)CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100012276601 [0,1,0,0,0,1|1,0,0]=3 3533 B11R0.173 CC(O)CNC(=O)C(C)C(C)C 11a_100000210904_100000755409 [0,1,0,0,0,1|1,0,0]=3 3534 B11R0.173 CC(O)CNC(=O)C(C)C(C)C 240690a_100000210904_100000755409 [0,1,0,0,0,1|1,0,0]=3 3535 B11R0.173 CC(O)CNC(=O)C(C)C(C)C 527a_100000210904_100000755409 [0,1,0,0,0,1|1,0,0]=3 3536 B11R0.173 CC(O)CNC(=O)N(C)C(C)C 273464a_100000210904_200000211004 [0,1,0,0,0,1|2,0,0]=4 3537 B11R0.173 CC(O)CNC(=O)[C@H](C)N(C)C 240690a_100000210904_100009822176 [0,1,0,0,0,1|2,0,0]=4 3538 B11R0.173 CC(O)CNC(=O)[C@H](C)N(C)C 527a_100000210904_100009822176 [0,1,0,0,0,1|2,0,0]=4 3539 B11R0.173 CC(O)CNC(=O)[C@H](O)C(C)C 240690a_100000210904_100000691806 [0,1,0,0,0,1|1,0,0]=3 3540 B11R0.232 CC(C)CCS(=O)(=O)NC(C)C 270084a_100138425928_100000750698 [0,1,0,0,0,1|2,0,0]=4 3541 B11R0.232 CC(C)CCS(=O)(=O)NC(C)C 274078a_100138425928_100000750698 [0,1,0,0,0,1|2,0,0]=4 3542 B11R0.232 CC(C)CNC(C)(C)CC(C)C 2230a_100011346068_100000210760 [0,1,0,0,0,1|1,0,1]=4 3543 B11R0.232 CC(C)CNC(C)(C)CC(C)C 270004a_100011346068_100000210432 [0,1,0,0,0,1|1,0,1]=4 3544 B11R0.232 CC(C)CNS(=O)(=O)CC(C)C 270084a_100000210953_100000748289 [0,1,0,0,0,1|1,0,0]=3 3545 B11R0.232 CC(C)CNS(=O)(=O)CC(C)C 274078a_100000210953_100000748289 [0,1,0,0,0,1|1,0,0]=3 3546 B11R0.232 CC(C)CS(=O)(=O)NCC(C)O 270084a_100000210904_100000748289 [0,1,0,0,0,1|2,0,0]=4 3547 B11R0.232 CC(C)CS(=O)(=O)NCC(C)O 274078a_100000210904_100000748289 [0,1,0,0,0,1|2,0,0]=4 3548 B11R0.337 C=C(C)CC(=O)CCC(C)(C)C 1458a_100000757465_100000748629 [0,1,0,0,0,1|0,0,2]=4 3549 B11R0.337 C=C(C)CC(=O)COC(C)(C)C 1458a_100000686494_100000748629 [0,1,0,0,0,1|0,0,2]=4 3550 B11R0.337 CC(=CC(=O)CCC(C)(C)C)C 1458a_100000211388_100000755188 [0,1,0,0,0,1|0,0,2]=4 3551 B11R0.337 CC(=CC(=O)NCC(C)(C)C)C 11a_100000743828_100000211388 [0,1,0,0,0,1|0,0,2]=4 3552 B11R0.337 CC(=CC(=O)NCC(C)(C)C)C 1626a_100000743828_100000211388 [0,1,0,0,0,1|0,0,2]=4 3553 B11R0.337 CC(=CC(=O)NCC(C)(C)C)C 240690a_100000743828_100000211388 [0,1,0,0,0,1|0,0,2]=4 3554 B11R0.337 CC(=CC(=O)NCC(C)(C)F)C 11a_100020643315_100000211388 [0,1,0,0,0,1|0,0,2]=4 3555 B11R0.337 CC(=CC(=O)NCC(C)(C)F)C 1626a_100020643315_100000211388 [0,1,0,0,0,1|0,0,2]=4 3556 B11R0.337 CC(=CC(=O)NCC(C)(C)F)C 240690a_100020643315_100000211388 [0,1,0,0,0,1|0,0,2]=4 3557 B11R0.337 CC(=CC(=O)NCC(C)(C)O)C 1626a_100000751335_100000211388 [0,1,0,0,0,1|0,0,2]=4 3558 B11R0.337 CC(=CC(=O)NCC(C)(C)O)C 240690a_100000751335_100000211388 [0,1,0,0,0,1|0,0,2]=4 3559 B11R0.337 CC(=O)CC(=O)OCC(C)(C)C 1458a_100000070787_200010402935 [0,1,0,0,0,1|1,0,1]=4 3560 B11R0.337 CC(C)(C)CCC(=O)CC(F)F 1458a_100000757465_100011934356 [0,1,0,0,0,1|2,0,0]=4 3561 B11R0.337 CC(C)(C)OCC(=O)CC(F)F 1458a_100000686494_100011934356 [0,1,0,0,0,1|2,0,0]=4 3562 B11R0.337 CC(C)CC(=O)C#CC(C)(C)C 1458a_100011966651_100000210624 [0,1,0,0,0,1|0,0,1]=3 3563 B11R0.337 CC(C)CC(=O)C#C[Si](C)(C)C 1458a_100000039808_100000210624 [0,1,0,0,0,1|0,1,1]=4 3564 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000210554_100000755188 [0,1,0,0,0,1|0,0,0]=2 3565 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000757465_100000210624 [0,1,0,0,0,1|0,0,0]=2 3566 B11R0.337 CC(C)CC(=O)CCC(C)(F)F 1458a_100000030992_100000210624 [0,1,0,0,0,1|1,0,0]=3 3567 B11R0.337 CC(C)CC(=O)CCC(F)(F)F 1458a_100000210554_100011219754 [0,1,0,0,0,1|2,0,0]=4 3568 B11R0.337 CC(C)CC(=O)CCC(F)(F)F 1458a_100000755318_100000210624 [0,1,0,0,0,1|2,0,0]=4 3569 B11R0.337 CC(C)CC(=O)CCS(=O)(=O)C 1458a_100000210554_100000731031 [0,1,0,0,0,1|2,0,0]=4 3570 B11R0.337 CC(C)CC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210624 [0,1,0,0,0,1|2,0,0]=4 3571 B11R0.337 CC(C)CC(=O)CC[N+](C)(C)C 1458a_100000210554_100000085578 [0,1,0,0,0,1|1,0,0]=3 3572 B11R0.337 CC(C)CC(=O)CC[Si](C)(C)C 1458a_100000210554_200000733723 [0,1,0,0,0,1|0,1,0]=3 3573 B11R0.337 CC(C)CC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210624 [0,1,0,0,0,1|0,1,0]=3 3574 B11R0.337 CC(C)CC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210624 [0,1,0,0,0,1|2,0,0]=4 3575 B11R0.337 CC(C)CC(=O)COC(C)(C)C 1458a_100000686494_100000210624 [0,1,0,0,0,1|0,0,0]=2 3576 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 11a_100000743828_100000210554 [0,1,0,0,0,1|0,0,0]=2 3577 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 1626a_100000743828_100000210554 [0,1,0,0,0,1|0,0,0]=2 3578 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 240690a_100000743828_100000210554 [0,1,0,0,0,1|0,0,0]=2 3579 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 527a_100000743828_100000210554 [0,1,0,0,0,1|0,0,0]=2 3580 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 11a_100020643315_100000210554 [0,1,0,0,0,1|0,0,0]=2 3581 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 1626a_100020643315_100000210554 [0,1,0,0,0,1|0,0,0]=2 3582 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 240690a_100020643315_100000210554 [0,1,0,0,0,1|0,0,0]=2 3583 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 527a_100020643315_100000210554 [0,1,0,0,0,1|0,0,0]=2 3584 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 1626a_100000751335_100000210554 [0,1,0,0,0,1|0,0,0]=2 3585 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 240690a_100000751335_100000210554 [0,1,0,0,0,1|0,0,0]=2 3586 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 527a_100000751335_100000210554 [0,1,0,0,0,1|0,0,0]=2 3587 B11R0.337 CC(C)CC(=O)NCC(C)(F)F 11a_100000731000_100000210554 [0,1,0,0,0,1|1,0,0]=3 3588 B11R0.337 CC(C)CC(=O)NCC(C)(F)F 1626a_100000731000_100000210554 [0,1,0,0,0,1|1,0,0]=3 3589 B11R0.337 CC(C)CC(=O)NCC(C)(F)F 240690a_100000731000_100000210554 [0,1,0,0,0,1|1,0,0]=3 3590 B11R0.337 CC(C)CC(=O)NCC(C)(F)F 527a_100000731000_100000210554 [0,1,0,0,0,1|1,0,0]=3 3591 B11R0.337 CC(C)CC(=O)NCC(F)(F)F 11a_100000717047_100000210554 [0,1,0,0,0,1|2,0,0]=4 3592 B11R0.337 CC(C)CC(=O)NCC(F)(F)F 1626a_100000717047_100000210554 [0,1,0,0,0,1|2,0,0]=4 3593 B11R0.337 CC(C)CC(=O)NCC(F)(F)F 240690a_100000717047_100000210554 [0,1,0,0,0,1|2,0,0]=4 3594 B11R0.337 CC(C)CC(=O)NCC(F)(F)F 527a_100000717047_100000210554 [0,1,0,0,0,1|2,0,0]=4 3595 B11R0.337 CC(C)CC(=O)NC[Si](C)(C)C 11a_102516607284_100000210554 [0,1,0,0,0,1|0,1,0]=3 3596 B11R0.337 CC(C)CC(=O)NC[Si](C)(C)C 1626a_102516607284_100000210554 [0,1,0,0,0,1|0,1,0]=3 3597 B11R0.337 CC(C)CC(=O)NC[Si](C)(C)C 240690a_102516607284_100000210554 [0,1,0,0,0,1|0,1,0]=3 3598 B11R0.337 CC(C)CC(=O)NC[Si](C)(C)C 527a_102516607284_100000210554 [0,1,0,0,0,1|0,1,0]=3 3599 B11R0.337 CC(C)CC(=O)NNC(C)(C)C 22a_100000725372_100000210554 [0,1,0,0,0,1|1,0,0]=3 3600 B11R0.337 CC(C)CC(C)NCC(C)(C)C 2230a_100000743828_100000731052 [0,1,0,0,0,1|1,0,1]=4 3601 B11R0.337 CC(C)CC(C)NCC(C)(C)C 270004a_100000692259_100011204126 [0,1,0,0,0,1|1,0,1]=4 3602 B11R0.337 CC(C)CC(C)NCC(C)(C)F 2230a_100020643315_100000731052 [0,1,0,0,0,1|1,0,1]=4 3603 B11R0.337 CC(C)CC(C)NCC(C)(C)O 2230a_100000751335_100000731052 [0,1,0,0,0,1|1,0,1]=4 3604 B11R0.337 CC(C)CC(C)OCC(C)(C)C 34a_100000211805_100011219605 [0,1,0,0,0,1|1,0,1]=4 3605 B11R0.337 CC(C)CC(C)OCC(C)(C)F 34a_100000211805_100011997219 [0,1,0,0,0,1|1,0,1]=4 3606 B11R0.337 CC(C)CC(C)OCC(C)(C)F 34a_100000716592_100000731052 [0,1,0,0,0,1|1,0,1]=4 3607 B11R0.337 CC(C)CC(C)OCC(C)(C)O 34a_100000211805_100000764493 [0,1,0,0,0,1|1,0,1]=4 3608 B11R0.337 CC(C)CC(C)OCC(C)(C)O 7a_100000211805_100000764493 [0,1,0,0,0,1|1,0,1]=4 3609 B11R0.337 CC(C)CC(C)SCC(C)(C)C 62a_100000731052_100011219605 [0,1,0,0,0,1|1,0,1]=4 3610 B11R0.337 CC(C)CC(C)SCC(C)(C)C 62a_100011219605_100000731052 [0,1,0,0,0,1|1,0,1]=4 3611 B11R0.337 CC(C)CC(C)SCC(C)(C)F 62a_100000731052_100011997219 [0,1,0,0,0,1|1,0,1]=4 3612 B11R0.337 CC(C)CC(C)SCC(C)(C)F 62a_100011997219_100000731052 [0,1,0,0,0,1|1,0,1]=4 3613 B11R0.337 CC(C)CC(C)SCC(C)(C)O 62a_100000731052_100000764493 [0,1,0,0,0,1|1,0,1]=4 3614 B11R0.337 CC(C)CC(C)SCC(C)(C)O 62a_100000764493_100000731052 [0,1,0,0,0,1|1,0,1]=4 3615 B11R0.337 CC(C)CN(C)CCC(C)(C)C 2230a_100000747067_100000755188 [0,1,0,0,0,1|2,0,0]=4 3616 B11R0.337 CC(C)CN(C)CCC(C)(C)C 269982a_100000747067_100000755188 [0,1,0,0,0,1|2,0,0]=4 3617 B11R0.337 CC(C)CN(C)CCC(C)(C)O 2230a_100000747067_100000702414 [0,1,0,0,0,1|2,0,0]=4 3618 B11R0.337 CC(C)C[C@H](N)COC(C)(C)C 34a_100011830311_100000210625 [0,1,0,0,0,1|1,0,1]=4 3619 B11R0.337 CC(C)NC(=O)C#CC(C)(C)C 240690a_100138425928_100011966651 [0,1,0,0,0,1|1,0,1]=4 3620 B11R0.337 CC(C)NC(=O)CCC(C)(C)C 11a_100138425928_100000757465 [0,1,0,0,0,1|1,0,0]=3 3621 B11R0.337 CC(C)NC(=O)CCC(C)(C)C 1626a_100138425928_100000757465 [0,1,0,0,0,1|1,0,0]=3 3622 B11R0.337 CC(C)NC(=O)CCC(C)(C)C 240690a_100138425928_100000757465 [0,1,0,0,0,1|1,0,0]=3 3623 B11R0.337 CC(C)NC(=O)CCC(C)(C)C 527a_100138425928_100000757465 [0,1,0,0,0,1|1,0,0]=3 3624 B11R0.337 CC(C)NC(=O)CCC(C)(F)F 11a_100138425928_100000030992 [0,1,0,0,0,1|2,0,0]=4 3625 B11R0.337 CC(C)NC(=O)CCC(C)(F)F 1626a_100138425928_100000030992 [0,1,0,0,0,1|2,0,0]=4 3626 B11R0.337 CC(C)NC(=O)CCC(C)(F)F 240690a_100138425928_100000030992 [0,1,0,0,0,1|2,0,0]=4 3627 B11R0.337 CC(C)NC(=O)CCC(C)(F)F 527a_100138425928_100000030992 [0,1,0,0,0,1|2,0,0]=4 3628 B11R0.337 CC(C)NC(=O)CC[Si](C)(C)C 1626a_100138425928_100011215282 [0,1,0,0,0,1|1,1,0]=4 3629 B11R0.337 CC(C)NC(=O)CC[Si](C)(C)C 240690a_100138425928_100011215282 [0,1,0,0,0,1|1,1,0]=4 3630 B11R0.337 CC(C)NC(=O)CC[Si](C)(C)C 527a_100138425928_100011215282 [0,1,0,0,0,1|1,1,0]=4 3631 B11R0.337 CC(C)NC(=O)CNC(C)(C)C 2230a_100000715429_100000183996 [0,1,0,0,0,1|1,0,0]=3 3632 B11R0.337 CC(C)NC(=O)COC(C)(C)C 11a_100138425928_100000686494 [0,1,0,0,0,1|1,0,0]=3 3633 B11R0.337 CC(C)NC(=O)COC(C)(C)C 1626a_100138425928_100000686494 [0,1,0,0,0,1|1,0,0]=3 3634 B11R0.337 CC(C)NC(=O)COC(C)(C)C 240690a_100138425928_100000686494 [0,1,0,0,0,1|1,0,0]=3 3635 B11R0.337 CC(C)NC(=O)COC(C)(C)C 34a_100015890283_100000183996 [0,1,0,0,0,1|1,0,0]=3 3636 B11R0.337 CC(C)NC(=O)COC(C)(C)C 527a_100138425928_100000686494 [0,1,0,0,0,1|1,0,0]=3 3637 B11R0.337 CC(C)NC(=O)COC(C)(C)C 7a_100015890283_100000183996 [0,1,0,0,0,1|1,0,0]=3 3638 B11R0.337 CC(C)NC(=O)CSC(C)(C)C 62a_100000183996_100000211941 [0,1,0,0,0,1|1,0,0]=3 3639 B11R0.337 CC(C)NC(=O)CSC(C)(C)C 62a_100000211941_100000183996 [0,1,0,0,0,1|1,0,0]=3 3640 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 2708a_100000743828_100138425928 [0,1,0,0,0,1|1,0,0]=3 3641 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 2708a_100138425928_100000743828 [0,1,0,0,0,1|1,0,0]=3 3642 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 273464a_100138425928_100000743828 [0,1,0,0,0,1|1,0,0]=3 3643 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 512a_100000743828_100138425928 [0,1,0,0,0,1|1,0,0]=3 3644 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 512a_100138425928_100000743828 [0,1,0,0,0,1|1,0,0]=3 3645 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 2708a_100020643315_100138425928 [0,1,0,0,0,1|1,0,0]=3 3646 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 2708a_100138425928_100020643315 [0,1,0,0,0,1|1,0,0]=3 3647 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 273464a_100138425928_100020643315 [0,1,0,0,0,1|1,0,0]=3 3648 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 512a_100020643315_100138425928 [0,1,0,0,0,1|1,0,0]=3 3649 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 512a_100138425928_100020643315 [0,1,0,0,0,1|1,0,0]=3 3650 B11R0.337 CC(C)NC(=O)NCC(C)(C)O 2708a_100138425928_100000751335 [0,1,0,0,0,1|1,0,0]=3 3651 B11R0.337 CC(C)NC(=O)NCC(C)(C)O 273464a_100138425928_100000751335 [0,1,0,0,0,1|1,0,0]=3 3652 B11R0.337 CC(C)NC(=O)NCC(C)(C)O 512a_100000751335_100138425928 [0,1,0,0,0,1|1,0,0]=3 3653 B11R0.337 CC(C)NC(=O)NCC(C)(C)O 512a_100138425928_100000751335 [0,1,0,0,0,1|1,0,0]=3 3654 B11R0.337 CC(C)NC(=O)NCC(C)(F)F 2708a_100138425928_100000731000 [0,1,0,0,0,1|2,0,0]=4 3655 B11R0.337 CC(C)NC(=O)NCC(C)(F)F 273464a_100138425928_100000731000 [0,1,0,0,0,1|2,0,0]=4 3656 B11R0.337 CC(C)NC(=O)NCC(C)(F)F 512a_100000731000_100138425928 [0,1,0,0,0,1|2,0,0]=4 3657 B11R0.337 CC(C)NC(=O)NCC(C)(F)F 512a_100138425928_100000731000 [0,1,0,0,0,1|2,0,0]=4 3658 B11R0.337 CC(C)NC(=O)NC[Si](C)(C)C 2708a_100138425928_102516607284 [0,1,0,0,0,1|1,1,0]=4 3659 B11R0.337 CC(C)NC(=O)NC[Si](C)(C)C 2708a_102516607284_100138425928 [0,1,0,0,0,1|1,1,0]=4 3660 B11R0.337 CC(C)NC(=O)NC[Si](C)(C)C 273464a_100138425928_102516607284 [0,1,0,0,0,1|1,1,0]=4 3661 B11R0.337 CC(C)NC(=O)NC[Si](C)(C)C 512a_100138425928_102516607284 [0,1,0,0,0,1|1,1,0]=4 3662 B11R0.337 CC(C)NC(=O)NC[Si](C)(C)C 512a_102516607284_100138425928 [0,1,0,0,0,1|1,1,0]=4 3663 B11R0.337 CC(C)NC(=O)NNC(C)(C)C 273464a_100138425928_100000725372 [0,1,0,0,0,1|2,0,0]=4 3664 B11R0.337 CC(C)NC(=O)NNC(C)(C)C 512a_100000725372_100138425928 [0,1,0,0,0,1|2,0,0]=4 3665 B11R0.337 CC(C)NC(=O)NNC(C)(C)C 512a_100138425928_100000725372 [0,1,0,0,0,1|2,0,0]=4 3666 B11R0.337 CC(C)OC(=O)CNC(C)(C)C 2230a_100000715429_100011215430 [0,1,0,0,0,1|1,0,0]=3 3667 B11R0.337 CC(C)OC(=O)COC(C)(C)C 34a_100015890283_100011215430 [0,1,0,0,0,1|1,0,0]=3 3668 B11R0.337 CC(C)OC(=O)COC(C)(C)C 7a_100015890283_100011215430 [0,1,0,0,0,1|1,0,0]=3 3669 B11R0.337 CC(C)OC(=O)CSC(C)(C)C 62a_100000211941_100011215430 [0,1,0,0,0,1|1,0,0]=3 3670 B11R0.337 CC(C)OC(=O)CSC(C)(C)C 62a_100011215430_100000211941 [0,1,0,0,0,1|1,0,0]=3 3671 B11R0.337 CC(O)CC(=O)C#CC(C)(C)C 1458a_100011966651_100011218427 [0,1,0,0,0,1|1,0,1]=4 3672 B11R0.337 CC(O)CC(=O)CCC(C)(C)C 1458a_100000757465_100011218427 [0,1,0,0,0,1|1,0,0]=3 3673 B11R0.337 CC(O)CC(=O)CCC(C)(F)F 1458a_100000030992_100011218427 [0,1,0,0,0,1|2,0,0]=4 3674 B11R0.337 CC(O)CC(=O)CC[Si](C)(C)C 1458a_100011215282_100011218427 [0,1,0,0,0,1|1,1,0]=4 3675 B11R0.337 CC(O)CC(=O)COC(C)(C)C 1458a_100000686494_100011218427 [0,1,0,0,0,1|1,0,0]=3 3676 B11R0.337 CN(C)CC(=O)CCC(C)(C)C 1458a_100000750896_100000755188 [0,1,0,0,0,1|1,0,0]=3 3677 B11R0.337 CN(C)CC(=O)CC[N+](C)(C)C 1458a_100000750896_100000085578 [0,1,0,0,0,1|2,0,0]=4 3678 B11R0.337 CN(C)CC(=O)CC[Si](C)(C)C 1458a_100000750896_200000733723 [0,1,0,0,0,1|1,1,0]=4 3679 B11R0.337 CN(C)CC(=O)NCC(C)(C)C 11a_100000743828_100000750896 [0,1,0,0,0,1|1,0,0]=3 3680 B11R0.337 CN(C)CC(=O)NCC(C)(C)C 240690a_100000743828_100000750896 [0,1,0,0,0,1|1,0,0]=3 3681 B11R0.337 CN(C)CC(=O)NCC(C)(C)C 527a_100000743828_100000750896 [0,1,0,0,0,1|1,0,0]=3 3682 B11R0.337 CN(C)CC(=O)NCC(C)(C)F 11a_100020643315_100000750896 [0,1,0,0,0,1|1,0,0]=3 3683 B11R0.337 CN(C)CC(=O)NCC(C)(C)F 240690a_100020643315_100000750896 [0,1,0,0,0,1|1,0,0]=3 3684 B11R0.337 CN(C)CC(=O)NCC(C)(C)F 527a_100020643315_100000750896 [0,1,0,0,0,1|1,0,0]=3 3685 B11R0.337 CN(C)CC(=O)NCC(C)(C)O 240690a_100000751335_100000750896 [0,1,0,0,0,1|1,0,0]=3 3686 B11R0.337 CN(C)CC(=O)NCC(C)(C)O 527a_100000751335_100000750896 [0,1,0,0,0,1|1,0,0]=3 3687 B11R0.337 CN(C)CC(=O)NCC(C)(F)F 11a_100000731000_100000750896 [0,1,0,0,0,1|2,0,0]=4 3688 B11R0.337 CN(C)CC(=O)NCC(C)(F)F 240690a_100000731000_100000750896 [0,1,0,0,0,1|2,0,0]=4 3689 B11R0.337 CN(C)CC(=O)NCC(C)(F)F 527a_100000731000_100000750896 [0,1,0,0,0,1|2,0,0]=4 3690 B11R0.337 CN(C)CC(=O)NC[Si](C)(C)C 11a_102516607284_100000750896 [0,1,0,0,0,1|1,1,0]=4 3691 B11R0.337 CN(C)CC(=O)NC[Si](C)(C)C 240690a_102516607284_100000750896 [0,1,0,0,0,1|1,1,0]=4 3692 B11R0.337 CN(C)CC(=O)NC[Si](C)(C)C 527a_102516607284_100000750896 [0,1,0,0,0,1|1,1,0]=4 3693 B11R0.337 CN(C)CC(=O)NNC(C)(C)C 22a_100000725372_100000750896 [0,1,0,0,0,1|2,0,0]=4 3694 B11R0.337 CN(C)CC(=O)OCC(C)(C)C 2230a_100102631434_200010402935 [0,1,0,0,0,1|1,0,0]=3 3695 B11R0.337 CN(C)CC(=O)OCC(C)(C)C 269982a_100102631434_200010402935 [0,1,0,0,0,1|1,0,0]=3 3696 B11R0.337 C[C@@H](O)CC(=O)CCC(C)(C)C 1458a_100011933948_100000755188 [0,1,0,0,0,1|1,0,0]=3 3697 B11R0.337 C[C@@H](O)CC(=O)CC[N+](C)(C)C 1458a_100011933948_100000085578 [0,1,0,0,0,1|2,0,0]=4 3698 B11R0.337 C[C@@H](O)CC(=O)CC[Si](C)(C)C 1458a_100011933948_200000733723 [0,1,0,0,0,1|1,1,0]=4 3699 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(C)C 240690a_100000743828_100011933948 [0,1,0,0,0,1|1,0,0]=3 3700 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(C)F 240690a_100020643315_100011933948 [0,1,0,0,0,1|1,0,0]=3 3701 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(C)O 240690a_100000751335_100011933948 [0,1,0,0,0,1|1,0,0]=3 3702 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(F)F 240690a_100000731000_100011933948 [0,1,0,0,0,1|2,0,0]=4 3703 B11R0.337 C[C@@H](O)CC(=O)NC[Si](C)(C)C 240690a_102516607284_100011933948 [0,1,0,0,0,1|1,1,0]=4 3704 B11R0.337 C[C@@H](O)CC(=O)NNC(C)(C)C 22a_100000725372_100011933948 [0,1,0,0,0,1|2,0,0]=4 3705 B11R0.337 C[S+](C)CC(=O)CCC(C)(C)C 1458a_200159257847_100000755188 [0,1,0,0,0,1|1,0,0]=3 3706 B11R0.337 C[S+](C)CC(=O)CC[N+](C)(C)C 1458a_200159257847_100000085578 [0,1,0,0,0,1|2,0,0]=4 3707 B11R0.337 C[S+](C)CC(=O)CC[Si](C)(C)C 1458a_200159257847_200000733723 [0,1,0,0,0,1|1,1,0]=4 3708 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)C 11a_100000743828_200159257847 [0,1,0,0,0,1|1,0,0]=3 3709 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)C 1626a_100000743828_200159257847 [0,1,0,0,0,1|1,0,0]=3 3710 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)C 240690a_100000743828_200159257847 [0,1,0,0,0,1|1,0,0]=3 3711 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)C 527a_100000743828_200159257847 [0,1,0,0,0,1|1,0,0]=3 3712 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)F 11a_100020643315_200159257847 [0,1,0,0,0,1|1,0,0]=3 3713 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)F 1626a_100020643315_200159257847 [0,1,0,0,0,1|1,0,0]=3 3714 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)F 240690a_100020643315_200159257847 [0,1,0,0,0,1|1,0,0]=3 3715 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)F 527a_100020643315_200159257847 [0,1,0,0,0,1|1,0,0]=3 3716 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)O 1626a_100000751335_200159257847 [0,1,0,0,0,1|1,0,0]=3 3717 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)O 240690a_100000751335_200159257847 [0,1,0,0,0,1|1,0,0]=3 3718 B11R0.337 C[S+](C)CC(=O)NCC(C)(C)O 527a_100000751335_200159257847 [0,1,0,0,0,1|1,0,0]=3 3719 B11R0.337 C[S+](C)CC(=O)NCC(C)(F)F 11a_100000731000_200159257847 [0,1,0,0,0,1|2,0,0]=4 3720 B11R0.337 C[S+](C)CC(=O)NCC(C)(F)F 1626a_100000731000_200159257847 [0,1,0,0,0,1|2,0,0]=4 3721 B11R0.337 C[S+](C)CC(=O)NCC(C)(F)F 240690a_100000731000_200159257847 [0,1,0,0,0,1|2,0,0]=4 3722 B11R0.337 C[S+](C)CC(=O)NCC(C)(F)F 527a_100000731000_200159257847 [0,1,0,0,0,1|2,0,0]=4 3723 B11R0.337 C[S+](C)CC(=O)NC[Si](C)(C)C 11a_102516607284_200159257847 [0,1,0,0,0,1|1,1,0]=4 3724 B11R0.337 C[S+](C)CC(=O)NC[Si](C)(C)C 1626a_102516607284_200159257847 [0,1,0,0,0,1|1,1,0]=4 3725 B11R0.337 C[S+](C)CC(=O)NC[Si](C)(C)C 240690a_102516607284_200159257847 [0,1,0,0,0,1|1,1,0]=4 3726 B11R0.337 C[S+](C)CC(=O)NC[Si](C)(C)C 527a_102516607284_200159257847 [0,1,0,0,0,1|1,1,0]=4 3727 B11R0.337 C[S+](C)CC(=O)NNC(C)(C)C 22a_100000725372_200159257847 [0,1,0,0,0,1|2,0,0]=4 3728 B11R0.51 C=C(C)CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000748629 [0,2,0,0,0,0|0,0,2]=4 3729 B11R0.51 CC(C)(C)[C@H](O)C(=O)CC(F)F 1458a_100009816492_100011934356 [0,2,0,0,0,0|2,0,0]=4 3730 B11R0.51 CC(C)CC(=O)C(C)C(F)(F)F 1458a_100000137572_100000210624 [0,2,0,0,0,0|2,0,0]=4 3731 B11R0.51 CC(C)CC(=O)C(F)C(F)(F)F 1458a_100000038942_100000210624 [0,2,0,0,0,0|2,0,0]=4 3732 B11R0.51 CC(C)CC(=O)C(O)C(F)(F)F 1458a_100011204880_100000210624 [0,2,0,0,0,0|2,0,0]=4 3733 B11R0.51 CC(C)CC(=O)N(C)C(C)(C)C 11a_100011215553_100000210554 [0,2,0,0,0,0|1,0,0]=3 3734 B11R0.51 CC(C)CC(=O)N(C)C(C)(C)C 1626a_100011215553_100000210554 [0,2,0,0,0,0|1,0,0]=3 3735 B11R0.51 CC(C)CC(=O)N(C)C(C)(C)C 240690a_100011215553_100000210554 [0,2,0,0,0,0|1,0,0]=3 3736 B11R0.51 CC(C)CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210624 [0,2,0,0,0,0|0,0,0]=2 3737 B11R0.51 CC(C)CN(C)C(C)C(C)(C)C 2230a_100000745498_100000210760 [0,2,0,0,0,0|2,0,0]=4 3738 B11R0.51 CC(C)CN(C)C(C)C(C)(C)C 269982a_100000745498_100000210624 [0,2,0,0,0,0|2,0,0]=4 3739 B11R0.51 CC(C)CN(C)C(C)C(C)(C)C 270004a_100000745498_100000210432 [0,2,0,0,0,0|2,0,0]=4 3740 B11R0.51 CC(C)NC(=O)N(C)C(C)(C)C 2708a_100138425928_100011215553 [0,2,0,0,0,0|2,0,0]=4 3741 B11R0.51 CC(C)NC(=O)N(C)C(C)(C)C 273464a_100138425928_100011215553 [0,2,0,0,0,0|2,0,0]=4 3742 B11R0.51 CC(C)NC(=O)[C@@H](O)C(C)(C)C 240690a_100138425928_100009816492 [0,2,0,0,0,0|1,0,0]=3 3743 B11R0.51 CC(O)CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100011218427 [0,2,0,0,0,0|1,0,0]=3 3744 B11R0.51 CN(C(=O)C[S+](C)C)C(C)(C)C 11a_100011215553_200159257847 [0,2,0,0,0,0|2,0,0]=4 3745 B11R0.51 CN(C(=O)C[S+](C)C)C(C)(C)C 1626a_100011215553_200159257847 [0,2,0,0,0,0|2,0,0]=4 3746 B11R0.51 CN(C(=O)C[S+](C)C)C(C)(C)C 240690a_100011215553_200159257847 [0,2,0,0,0,0|2,0,0]=4 3747 B11R0.51 CN(C)CC(=O)N(C)C(C)(C)C 11a_100011215553_100000750896 [0,2,0,0,0,0|2,0,0]=4 3748 B11R0.51 CN(C)CC(=O)N(C)C(C)(C)C 240690a_100011215553_100000750896 [0,2,0,0,0,0|2,0,0]=4 3749 B11R0.51 C[C@@H](O)CC(=O)N(C)C(C)(C)C 240690a_100011215553_100011933948 [0,2,0,0,0,0|2,0,0]=4 3750 B11R0.52 CC(C)CC(=O)C(C)(C)N(C)C 1458a_100000688961_100000210624 [0,2,0,0,0,0|1,0,0]=3 3751 B11R0.52 CC(C)CC(=O)C(F)(F)C(F)F 1458a_100000011665_100000210624 [0,2,0,0,0,0|2,0,0]=4 3752 B11R0.52 CC(C)NC(=O)C(C)(C)N(C)C 1626a_100138425928_100000688961 [0,2,0,0,0,0|2,0,0]=4 3753 B11R0.52 CC(C)NC(=O)C(C)(C)N(C)C 240690a_100138425928_100000688961 [0,2,0,0,0,0|2,0,0]=4 3754 B11R0.52 CC(C)NC(=O)C(C)(C)N(C)C 527a_100138425928_100000688961 [0,2,0,0,0,0|2,0,0]=4 3755 B11R0.52 CC(C)OC(=O)C(C)(C)N(C)C 2230a_100102631434_100009814322 [0,2,0,0,0,0|2,0,0]=4 3756 B11R0.52 CC(O)CC(=O)C(C)(C)N(C)C 1458a_100000688961_100011218427 [0,2,0,0,0,0|2,0,0]=4 3757 B11R0.63 CC(C)CC(=O)N(C)C(C)C#N 11a_100000745055_100000210554 [0,2,0,0,0,0|1,0,1]=4 3758 B11R0.63 CC(C)CC(=O)N(C)C(C)C#N 1626a_100000745055_100000210554 [0,2,0,0,0,0|1,0,1]=4 3759 B11R0.63 CC(C)CC(=O)N(C)C(C)C#N 527a_100000745055_100000210554 [0,2,0,0,0,0|1,0,1]=4 3760 B11R0.63 CC(C)CC(=O)N(C)C(C)CO 240690a_100000693034_100000210554 [0,2,0,0,0,0|1,0,0]=3 3761 B11R0.63 CC(C)CC(=O)N(C)C(C)CO 527a_100000693034_100000210554 [0,2,0,0,0,0|1,0,0]=3 3762 B11R0.63 CC(C)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210624 [0,2,0,0,0,0|1,0,0]=3 3763 B11R0.63 CC(C)NC(=O)N(C)C(C)CO 2708a_100138425928_100000693034 [0,2,0,0,0,0|2,0,0]=4 3764 B11R0.63 CC(C)NC(=O)[C@H](O)[C@H](O)CO 240690a_100138425928_100015448053 [0,2,0,0,0,0|2,0,0]=4 3765 B11R0.63 CC(CO)N(C)C(=O)CN(C)C 240690a_100000693034_100000750896 [0,2,0,0,0,0|2,0,0]=4 3766 B11R0.63 CC(CO)N(C)C(=O)CN(C)C 527a_100000693034_100000750896 [0,2,0,0,0,0|2,0,0]=4 3767 B11R0.63 CC(CO)N(C)C(=O)C[C@@H](C)O 240690a_100000693034_100011933948 [0,2,0,0,0,0|2,0,0]=4 3768 B11R0.63 CC(CO)N(C)C(=O)C[S+](C)C 240690a_100000693034_200159257847 [0,2,0,0,0,0|2,0,0]=4 3769 B11R0.63 CC(CO)N(C)C(=O)C[S+](C)C 527a_100000693034_200159257847 [0,2,0,0,0,0|2,0,0]=4 3770 B11R0.63 CC(O)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011218427 [0,2,0,0,0,0|2,0,0]=4 3771 B11R0.63 CCC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000742827 [0,2,0,0,0,0|1,0,1]=4 3772 B11R0.63 CCC(C)C(=O)C(=O)NC(C)C 1458a_100011220036_100000758301 [0,2,0,0,0,0|1,0,1]=4 3773 B11R0.63 CCC(C)C(C)N(C)CC(C)C 270004a_100000747067_100000210599 [0,2,0,0,0,0|2,0,0]=4 3774 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 11a_100000741768_100000210554 [0,2,0,0,0,0|1,0,0]=3 3775 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 1626a_100000741768_100000210554 [0,2,0,0,0,0|1,0,0]=3 3776 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 240690a_100000741768_100000210554 [0,2,0,0,0,0|1,0,0]=3 3777 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 527a_100000741768_100000210554 [0,2,0,0,0,0|1,0,0]=3 3778 B11R0.63 CCC(C)N(C)C(=O)CN(C)C 11a_100000741768_100000750896 [0,2,0,0,0,0|2,0,0]=4 3779 B11R0.63 CCC(C)N(C)C(=O)CN(C)C 240690a_100000741768_100000750896 [0,2,0,0,0,0|2,0,0]=4 3780 B11R0.63 CCC(C)N(C)C(=O)CN(C)C 527a_100000741768_100000750896 [0,2,0,0,0,0|2,0,0]=4 3781 B11R0.63 CCC(C)N(C)C(=O)C[C@@H](C)O 240690a_100000741768_100011933948 [0,2,0,0,0,0|2,0,0]=4 3782 B11R0.63 CCC(C)N(C)C(=O)C[S+](C)C 11a_100000741768_200159257847 [0,2,0,0,0,0|2,0,0]=4 3783 B11R0.63 CCC(C)N(C)C(=O)C[S+](C)C 1626a_100000741768_200159257847 [0,2,0,0,0,0|2,0,0]=4 3784 B11R0.63 CCC(C)N(C)C(=O)C[S+](C)C 240690a_100000741768_200159257847 [0,2,0,0,0,0|2,0,0]=4 3785 B11R0.63 CCC(C)N(C)C(=O)C[S+](C)C 527a_100000741768_200159257847 [0,2,0,0,0,0|2,0,0]=4 3786 B11R0.63 CCC(C)N(C)C(=O)NC(C)C 2708a_100138425928_100000741768 [0,2,0,0,0,0|2,0,0]=4 3787 B11R0.63 CCC(C)N(C)C(=O)NC(C)C 273464a_100138425928_100000741768 [0,2,0,0,0,0|2,0,0]=4 3788 B11R0.63 CCN(C)C(C)C(=O)CC(C)C 1458a_100011281945_100000210624 [0,2,0,0,0,0|1,0,0]=3 3789 B11R0.63 CCN(C)C(C)C(=O)CC(C)O 1458a_100011281945_100011218427 [0,2,0,0,0,0|2,0,0]=4 3790 B11R0.63 CCN(C)C(C)C(=O)NC(C)C 2230a_100000225621_100000195394 [0,2,0,0,0,0|2,0,0]=4 3791 B11R0.63 CCN(C)C(C)C(=O)NC(C)C 240690a_100138425928_100011281945 [0,2,0,0,0,0|2,0,0]=4 3792 B11R0.63 CCN(C)C(C)C(=O)NC(C)C 269982a_100000225621_100000195394 [0,2,0,0,0,0|2,0,0]=4 3793 B11R0.63 CCN(C)C(C)C(=O)NC(C)C 527a_100138425928_100011281945 [0,2,0,0,0,0|2,0,0]=4 3794 B11R0.63 CNC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000209862 [0,2,0,0,0,0|1,0,1]=4 3795 B11R0.63 CNC(=O)C(F)C(=O)CC(C)C 1458a_100000210554_100009813575 [0,2,0,0,0,0|1,0,1]=4 3796 B11R0.63 COC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000211248 [0,2,0,0,0,0|1,0,1]=4 3797 B11R0.63 COC(=O)C(C)C(=O)CC(C)C 1458a_100012027023_100000210624 [0,2,0,0,0,0|1,0,1]=4 3798 B11R0.92 C#CC(C)NC(=O)C(C)C(C)C 11a_100000707721_100000755409 [0,2,0,0,0,0|1,0,1]=4 3799 B11R0.92 C#CC(C)NC(=O)C(C)C(C)C 1626a_100000707721_100000755409 [0,2,0,0,0,0|1,0,1]=4 3800 B11R0.92 C#CC(C)NC(=O)C(C)C(C)C 240690a_100000707721_100000755409 [0,2,0,0,0,0|1,0,1]=4 3801 B11R0.92 C#CC(C)NC(=O)C(C)C(C)C 527a_100000707721_100000755409 [0,2,0,0,0,0|1,0,1]=4 3802 B11R0.92 C#CC(C)NC(=O)[C@H](O)C(C)C 240690a_100000707721_100000691806 [0,2,0,0,0,0|1,0,1]=4 3803 B11R0.92 C=CC(C)CC(=O)N(C)C(C)C 11a_200000211004_100011934298 [0,2,0,0,0,0|1,0,1]=4 3804 B11R0.92 C=CC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100011934298 [0,2,0,0,0,0|1,0,1]=4 3805 B11R0.92 C=CC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100011934298 [0,2,0,0,0,0|1,0,1]=4 3806 B11R0.92 C=CC(C)CC(=O)N(C)C(C)C 527a_200000211004_100011934298 [0,2,0,0,0,0|1,0,1]=4 3807 B11R0.92 CC(C#N)NC(=O)C(C)C(C)C 11a_100000737613_100000755409 [0,2,0,0,0,0|1,0,1]=4 3808 B11R0.92 CC(C#N)NC(=O)C(C)C(C)C 1626a_100000737613_100000755409 [0,2,0,0,0,0|1,0,1]=4 3809 B11R0.92 CC(C#N)NC(=O)C(C)C(C)C 527a_100000737613_100000755409 [0,2,0,0,0,0|1,0,1]=4 3810 B11R0.92 CC(C)C(C)C(=O)C[C@@H](C)CO 1458a_100000755409_100000059175 [0,2,0,0,0,0|0,0,0]=2 3811 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CF 11a_100102880703_100000755409 [0,2,0,0,0,0|1,0,0]=3 3812 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000755409 [0,2,0,0,0,0|1,0,0]=3 3813 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000755409 [0,2,0,0,0,0|1,0,0]=3 3814 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CF 527a_100102880703_100000755409 [0,2,0,0,0,0|1,0,0]=3 3815 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000755409 [0,2,0,0,0,0|1,0,0]=3 3816 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CO 527a_100000737577_100000755409 [0,2,0,0,0,0|1,0,0]=3 3817 B11R0.92 CC(C)C(C)N(C)C[C@@H](C)CO 2230a_100000228512_100000059175 [0,2,0,0,0,0|2,0,0]=4 3818 B11R0.92 CC(C)C(C)N(C)C[C@@H](C)CO 269982a_100000228512_100000059175 [0,2,0,0,0,0|2,0,0]=4 3819 B11R0.92 CC(C)N(C)C(=O)N[C@H](C)CF 273464a_100102880703_200000211004 [0,2,0,0,0,0|2,0,0]=4 3820 B11R0.92 CC(C)N(C)C(=O)N[C@H](C)CO 273464a_100000737577_200000211004 [0,2,0,0,0,0|2,0,0]=4 3821 B11R0.92 CC(C)[C@@H](O)C(=O)C[C@@H](C)CO 1458a_100000691806_100000059175 [0,2,0,0,0,0|0,0,0]=2 3822 B11R0.92 CC(C)[C@@H](O)C(=O)N[C@H](C)CF 240690a_100102880703_100000691806 [0,2,0,0,0,0|1,0,0]=3 3823 B11R0.92 CC(C)[C@@H](O)C(=O)N[C@H](C)CO 240690a_100000737577_100000691806 [0,2,0,0,0,0|1,0,0]=3 3824 B11R0.92 CCC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000747405 [0,2,0,0,0,0|1,0,1]=4 3825 B11R0.92 CCC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000747405 [0,2,0,0,0,0|1,0,1]=4 3826 B11R0.92 CCC(C)CC(=O)C(=O)N(C)C 1458a_100011218876_100000748023 [0,2,0,0,0,0|1,0,1]=4 3827 B11R0.92 CCC(C)CC(=O)C(C)C(=O)C 1458a_100000708755_100000179758 [0,2,0,0,0,0|1,0,1]=4 3828 B11R0.92 CCC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748023 [0,2,0,0,0,0|0,0,0]=2 3829 B11R0.92 CCC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000708755 [0,2,0,0,0,0|1,0,0]=3 3830 B11R0.92 CCC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000708755 [0,2,0,0,0,0|1,0,0]=3 3831 B11R0.92 CCC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000708755 [0,2,0,0,0,0|1,0,0]=3 3832 B11R0.92 CCC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000708755 [0,2,0,0,0,0|1,0,0]=3 3833 B11R0.92 CCC(C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000748023 [0,2,0,0,0,0|1,0,0]=3 3834 B11R0.92 CCC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000748023 [0,2,0,0,0,0|0,0,0]=2 3835 B11R0.92 CCC(C)CN(C)C(C)C(C)C 2230a_100000228512_100000748023 [0,2,0,0,0,0|2,0,0]=4 3836 B11R0.92 CCC(C)CN(C)C(C)C(C)C 269982a_100000228512_100000748023 [0,2,0,0,0,0|2,0,0]=4 3837 B11R0.92 CCC(C)CN(C)C(C)C(C)C 270004a_100000228512_100000243153 [0,2,0,0,0,0|2,0,0]=4 3838 B11R0.92 CCC(C)NC(=O)C(=O)C(C)C 1458a_200011297154_100000210206 [0,2,0,0,0,0|1,0,1]=4 3839 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 11a_100000209981_100000755409 [0,2,0,0,0,0|1,0,0]=3 3840 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 1626a_100000209981_100000755409 [0,2,0,0,0,0|1,0,0]=3 3841 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 240690a_100000209981_100000755409 [0,2,0,0,0,0|1,0,0]=3 3842 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 527a_100000209981_100000755409 [0,2,0,0,0,0|1,0,0]=3 3843 B11R0.92 CCC(C)NC(=O)C(C)N(C)C 2230a_100102631434_100000735909 [0,2,0,0,0,0|2,0,0]=4 3844 B11R0.92 CCC(C)NC(=O)C(C)N(C)C 269982a_100102631434_100000735909 [0,2,0,0,0,0|2,0,0]=4 3845 B11R0.92 CCC(C)NC(=O)N(C)C(C)C 2708a_100000209981_200000211004 [0,2,0,0,0,0|2,0,0]=4 3846 B11R0.92 CCC(C)NC(=O)N(C)C(C)C 273464a_100000209981_200000211004 [0,2,0,0,0,0|2,0,0]=4 3847 B11R0.92 CCC(C)NC(=O)[C@H](C)N(C)C 240690a_100000209981_100009822176 [0,2,0,0,0,0|2,0,0]=4 3848 B11R0.92 CCC(C)NC(=O)[C@H](C)N(C)C 527a_100000209981_100009822176 [0,2,0,0,0,0|2,0,0]=4 3849 B11R0.92 CCC(C)NC(=O)[C@H](O)C(C)C 240690a_100000209981_100000691806 [0,2,0,0,0,0|1,0,0]=3 3850 B11R0.92 CCC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218378 [0,2,0,0,0,0|1,0,0]=3 3851 B11R0.92 CCC(O)CC(=O)N(C)C(C)C 1626a_200000211004_100011667805 [0,2,0,0,0,0|2,0,0]=4 3852 B11R0.92 CCC(O)CC(=O)N(C)C(C)C 240690a_200000211004_100011667805 [0,2,0,0,0,0|2,0,0]=4 3853 B11R0.92 CCC(O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100011218378 [0,2,0,0,0,0|2,0,0]=4 3854 B11R0.92 CCC(O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011218378 [0,2,0,0,0,0|1,0,0]=3 3855 B11R0.92 CCN(C)CC(=O)N(C)C(C)C 2230a_100000225621_100000230190 [0,2,0,0,0,0|2,0,0]=4 3856 B11R0.92 CCN(C)CC(=O)N(C)C(C)C 240690a_200000211004_100116209913 [0,2,0,0,0,0|2,0,0]=4 3857 B11R0.92 CCN(C)CC(=O)N(C)C(C)C 269982a_100000225621_100000230190 [0,2,0,0,0,0|2,0,0]=4 3858 B11R0.92 CCN(C)CC(=O)N(C)C(C)C 527a_200000211004_100116209913 [0,2,0,0,0,0|2,0,0]=4 3859 B11R0.92 CC[C@H](C)CC(=O)C(=O)N(C)C 1458a_100011218876_100009816398 [0,2,0,0,0,0|1,0,1]=4 3860 B11R0.92 CC[C@H](C)CC(=O)C(C)C(C)C 1458a_100000755409_100009816398 [0,2,0,0,0,0|0,0,0]=2 3861 B11R0.92 CC[C@H](C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100009816398 [0,2,0,0,0,0|1,0,0]=3 3862 B11R0.92 CC[C@H](C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100009816398 [0,2,0,0,0,0|0,0,0]=2 3863 B11R0.92 CC[C@H](C)CN(C)C(C)C(C)C 2230a_100000228512_100009816398 [0,2,0,0,0,0|2,0,0]=4 3864 B11R0.92 CC[C@H](C)CN(C)C(C)C(C)C 269982a_100000228512_100009816398 [0,2,0,0,0,0|2,0,0]=4 3865 B11R0.92 CNC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000183359 [0,2,0,0,0,0|1,0,1]=4 3866 B11R0.92 CNC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000183359 [0,2,0,0,0,0|1,0,1]=4 3867 B11R0.92 COC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000747449 [0,2,0,0,0,0|1,0,1]=4 3868 B11R0.92 COC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000747449 [0,2,0,0,0,0|1,0,1]=4 3869 B11R0.92 C[C@@H](CO)CC(=O)C(=O)N(C)C 1458a_100011218876_100000059175 [0,2,0,0,0,0|1,0,1]=4 3870 B11R0.92 C[C@@H](CO)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000059175 [0,2,0,0,0,0|1,0,0]=3 3871 B11R0.92 C[C@H](CF)NC(=O)[C@H](C)N(C)C 240690a_100102880703_100009822176 [0,2,0,0,0,0|2,0,0]=4 3872 B11R0.92 C[C@H](CF)NC(=O)[C@H](C)N(C)C 527a_100102880703_100009822176 [0,2,0,0,0,0|2,0,0]=4 3873 B11R0.92 C[C@H](CO)NC(=O)[C@H](C)N(C)C 240690a_100000737577_100009822176 [0,2,0,0,0,0|2,0,0]=4 3874 B11R0.92 C[C@H](CO)NC(=O)[C@H](C)N(C)C 527a_100000737577_100009822176 [0,2,0,0,0,0|2,0,0]=4 3875 B11R0.144 CCN(CC(C)C)C(C)C(C)C 2230a_100000746363_100000210760 [0,2,0,0,0,0|2,0,0]=4 3876 B11R0.144 CCN(CC(C)C)C(C)C(C)C 269982a_100000746363_100000210624 [0,2,0,0,0,0|2,0,0]=4 3877 B11R0.144 CCN(CC(C)C)C(C)C(C)C 270004a_100000746363_100000210432 [0,2,0,0,0,0|2,0,0]=4 3878 B11R0.206 CC(=O)C(C)C(=O)C(C)C(C)C 1458a_100000755409_100000179758 [0,2,0,0,0,0|1,0,1]=4 3879 B11R0.206 CC(=O)C(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000179758 [0,2,0,0,0,0|1,0,1]=4 3880 B11R0.206 CC(C)C(C)C(=O)N(C)C(C)C 11a_200000211004_100000755409 [0,2,0,0,0,0|1,0,0]=3 3881 B11R0.206 CC(C)C(C)C(=O)N(C)C(C)C 1626a_200000211004_100000755409 [0,2,0,0,0,0|1,0,0]=3 3882 B11R0.206 CC(C)C(C)C(=O)N(C)C(C)C 240690a_200000211004_100000755409 [0,2,0,0,0,0|1,0,0]=3 3883 B11R0.206 CC(C)C(C)C(=O)N(C)C(C)C 527a_200000211004_100000755409 [0,2,0,0,0,0|1,0,0]=3 3884 B11R0.206 CC(C)N(C)C(=O)[C@H](C)N(C)C 240690a_200000211004_100009822176 [0,2,0,0,0,0|2,0,0]=4 3885 B11R0.206 CC(C)N(C)C(=O)[C@H](C)N(C)C 527a_200000211004_100009822176 [0,2,0,0,0,0|2,0,0]=4 3886 B11R0.206 CC(C)[C@@H](O)C(=O)N(C)C(C)C 240690a_200000211004_100000691806 [0,2,0,0,0,0|1,0,0]=3 3887 B11R0.282 CC(=C(C#N)C(=O)CC(C)C)C 1458a_100000137542_100000210624 [0,2,0,0,0,0|0,0,2]=4 3888 B11R0.282 CCC(C(=O)CC(C)C)N(C)C 1458a_100000689100_100000210624 [0,2,0,0,0,0|1,0,0]=3 3889 B11R0.282 CCC(C(=O)CC(C)O)N(C)C 1458a_100000689100_100011218427 [0,2,0,0,0,0|2,0,0]=4 3890 B11R0.282 CCC(C(=O)NC(C)C)N(C)C 2230a_100102631434_200011763342 [0,2,0,0,0,0|2,0,0]=4 3891 B11R0.282 CCC(C(=O)NC(C)C)N(C)C 240690a_100138425928_100000689100 [0,2,0,0,0,0|2,0,0]=4 3892 B11R0.282 CCC(C(=O)NC(C)C)N(C)C 269982a_100102631434_200011763342 [0,2,0,0,0,0|2,0,0]=4 3893 B11R0.282 CCC(C(=O)NC(C)C)N(C)C 527a_100138425928_100000689100 [0,2,0,0,0,0|2,0,0]=4 3894 B11R0.282 CCC(C(C)C)N(C)CC(C)C 270004a_100000747067_100000210600 [0,2,0,0,0,0|2,0,0]=4 3895 B11R0.282 CCN(C(=O)CC(C)C)C(C)C 11a_100000223864_100000210554 [0,2,0,0,0,0|1,0,0]=3 3896 B11R0.282 CCN(C(=O)CC(C)C)C(C)C 1626a_100000223864_100000210554 [0,2,0,0,0,0|1,0,0]=3 3897 B11R0.282 CCN(C(=O)CC(C)C)C(C)C 240690a_100000223864_100000210554 [0,2,0,0,0,0|1,0,0]=3 3898 B11R0.282 CCN(C(=O)CC(C)C)C(C)C 527a_100000223864_100000210554 [0,2,0,0,0,0|1,0,0]=3 3899 B11R0.282 CCN(C(=O)CN(C)C)C(C)C 11a_100000223864_100000750896 [0,2,0,0,0,0|2,0,0]=4 3900 B11R0.282 CCN(C(=O)CN(C)C)C(C)C 2230a_100102631434_100011282762 [0,2,0,0,0,0|2,0,0]=4 3901 B11R0.282 CCN(C(=O)CN(C)C)C(C)C 240690a_100000223864_100000750896 [0,2,0,0,0,0|2,0,0]=4 3902 B11R0.282 CCN(C(=O)CN(C)C)C(C)C 269982a_100102631434_100011282762 [0,2,0,0,0,0|2,0,0]=4 3903 B11R0.282 CCN(C(=O)CN(C)C)C(C)C 527a_100000223864_100000750896 [0,2,0,0,0,0|2,0,0]=4 3904 B11R0.282 CCN(C(=O)C[C@@H](C)O)C(C)C 240690a_100000223864_100011933948 [0,2,0,0,0,0|2,0,0]=4 3905 B11R0.282 CCN(C(=O)C[S+](C)C)C(C)C 11a_100000223864_200159257847 [0,2,0,0,0,0|2,0,0]=4 3906 B11R0.282 CCN(C(=O)C[S+](C)C)C(C)C 1626a_100000223864_200159257847 [0,2,0,0,0,0|2,0,0]=4 3907 B11R0.282 CCN(C(=O)C[S+](C)C)C(C)C 240690a_100000223864_200159257847 [0,2,0,0,0,0|2,0,0]=4 3908 B11R0.282 CCN(C(=O)C[S+](C)C)C(C)C 527a_100000223864_200159257847 [0,2,0,0,0,0|2,0,0]=4 3909 B11R0.282 CCN(C(=O)NC(C)C)C(C)C 2708a_100138425928_100000223864 [0,2,0,0,0,0|2,0,0]=4 3910 B11R0.282 CCN(C(=O)NC(C)C)C(C)C 273464a_100138425928_100000223864 [0,2,0,0,0,0|2,0,0]=4 3911 B11R0.308 CC(=O)C(C)C(=O)CC(C)(C)C 1458a_100000211214_100000179758 [0,2,0,0,0,0|1,0,1]=4 3912 B11R0.308 CC(=O)C(C)C(=O)CC(C)(C)O 1458a_100000693243_100000179758 [0,2,0,0,0,0|1,0,1]=4 3913 B11R0.308 CC(C(=O)NC(C)(C)C)N(C)C 2230a_100102631434_100000230285 [0,2,0,0,0,0|2,0,0]=4 3914 B11R0.308 CC(C(=O)NC(C)(C)C)N(C)C 269982a_100102631434_100000230285 [0,2,0,0,0,0|2,0,0]=4 3915 B11R0.308 CC(C(=O)OC(C)(C)C)N(C)C 2230a_100102631434_100000758318 [0,2,0,0,0,0|2,0,0]=4 3916 B11R0.308 CC(C)C(=O)C(=O)NC(C)(C)C 1458a_100000238687_100000210206 [0,2,0,0,0,0|1,0,1]=4 3917 B11R0.308 CC(C)C(C)C(=O)C[Si](C)(C)C 1458a_100000755409_100000233785 [0,2,0,0,0,0|0,1,0]=3 3918 B11R0.308 CC(C)C(C)C(=O)NC(C)(C)C 11a_100000715429_100000755409 [0,2,0,0,0,0|1,0,0]=3 3919 B11R0.308 CC(C)C(C)C(=O)NC(C)(C)C 1626a_100000715429_100000755409 [0,2,0,0,0,0|1,0,0]=3 3920 B11R0.308 CC(C)C(C)C(=O)NC(C)(C)C 240690a_100000715429_100000755409 [0,2,0,0,0,0|1,0,0]=3 3921 B11R0.308 CC(C)C(C)C(=O)NC(C)(C)C 527a_100000715429_100000755409 [0,2,0,0,0,0|1,0,0]=3 3922 B11R0.308 CC(C)C(C)N(C)CC(C)(C)C 270004a_100000228512_100011204126 [0,2,0,0,0,0|2,0,0]=4 3923 B11R0.308 CC(C)N(C)C(=O)CC(C)(C)C 11a_200000211004_100000211214 [0,2,0,0,0,0|1,0,0]=3 3924 B11R0.308 CC(C)N(C)C(=O)CC(C)(C)C 1626a_200000211004_100000211214 [0,2,0,0,0,0|1,0,0]=3 3925 B11R0.308 CC(C)N(C)C(=O)CC(C)(C)C 240690a_200000211004_100000211214 [0,2,0,0,0,0|1,0,0]=3 3926 B11R0.308 CC(C)N(C)C(=O)CC(C)(C)C 527a_200000211004_100000211214 [0,2,0,0,0,0|1,0,0]=3 3927 B11R0.308 CC(C)N(C)C(=O)CC(C)(C)O 527a_200000211004_100000693243 [0,2,0,0,0,0|1,0,0]=3 3928 B11R0.308 CC(C)N(C)C(=O)C[N+](C)(C)C 11a_200000211004_100000033712 [0,2,0,0,0,0|2,0,0]=4 3929 B11R0.308 CC(C)N(C)C(=O)C[N+](C)(C)C 1626a_200000211004_100000033712 [0,2,0,0,0,0|2,0,0]=4 3930 B11R0.308 CC(C)N(C)C(=O)C[N+](C)(C)C 240690a_200000211004_100000033712 [0,2,0,0,0,0|2,0,0]=4 3931 B11R0.308 CC(C)N(C)C(=O)C[N+](C)(C)C 527a_200000211004_100000033712 [0,2,0,0,0,0|2,0,0]=4 3932 B11R0.308 CC(C)N(C)C(=O)C[Si](C)(C)C 11a_200000211004_100011218504 [0,2,0,0,0,0|1,1,0]=4 3933 B11R0.308 CC(C)N(C)C(=O)C[Si](C)(C)C 1626a_200000211004_100011218504 [0,2,0,0,0,0|1,1,0]=4 3934 B11R0.308 CC(C)N(C)C(=O)NC(C)(C)C 273464a_100000715429_200000211004 [0,2,0,0,0,0|2,0,0]=4 3935 B11R0.308 CC(C)[C@@H](O)C(=O)C[Si](C)(C)C 1458a_100000691806_100000233785 [0,2,0,0,0,0|0,1,0]=3 3936 B11R0.308 CC(C)[C@@H](O)C(=O)NC(C)(C)C 240690a_100000715429_100000691806 [0,2,0,0,0,0|1,0,0]=3 3937 B11R0.308 C[C@@H](C(=O)C[Si](C)(C)C)N(C)C 1458a_100009822176_100000233785 [0,2,0,0,0,0|1,1,0]=4 3938 B11R0.308 C[C@@H](C(=O)NC(C)(C)C)N(C)C 240690a_100000715429_100009822176 [0,2,0,0,0,0|2,0,0]=4 3939 B11R0.308 C[C@@H](C(=O)NC(C)(C)C)N(C)C 527a_100000715429_100009822176 [0,2,0,0,0,0|2,0,0]=4 3940 B11R0.308 C[C@@H](C(=O)OC(C)(C)C)N(C)C 2230a_100016990750_200000210301 [0,2,0,0,0,0|2,0,0]=4 3941 B11R0.308 C[C@@H](C(=O)OC(C)(C)C)N(C)C 269982a_100016990750_200000210301 [0,2,0,0,0,0|2,0,0]=4 3942 B11R0.308 C[C@@H](C(=O)OC(C)(C)C)N(C)[13CH3] 2230a_100016990750_200025704644 [0,2,0,0,0,0|2,0,0]=4 3943 B11R0.308 C[C@@H](C(=O)OC(C)(C)C)N(C)[13CH3] 269982a_100016990750_200025704644 [0,2,0,0,0,0|2,0,0]=4 3944 B11R0.335 CC(C)CS(=O)(=O)N(C)C(C)C 270084a_200000211004_100000748289 [0,2,0,0,0,0|2,0,0]=4 3945 B11R0.335 CC(C)CS(=O)(=O)N(C)C(C)C 274078a_200000211004_100000748289 [0,2,0,0,0,0|2,0,0]=4 3946 B11R0.335 CC(C)NS(=O)(=O)C(C)C(C)C 270084a_100138425928_100000765091 [0,2,0,0,0,0|2,0,0]=4 3947 B11R0.335 CC(C)NS(=O)(=O)C(C)C(C)C 274078a_100138425928_100000765091 [0,2,0,0,0,0|2,0,0]=4 3948 B11R0.119 C#CC(C)NC(=O)CC(C)(C)C 11a_100000707721_100000211214 [0,2,0,0,0,0|1,0,1]=4 3949 B11R0.119 C#CC(C)NC(=O)CC(C)(C)C 1626a_100000707721_100000211214 [0,2,0,0,0,0|1,0,1]=4 3950 B11R0.119 C#CC(C)NC(=O)CC(C)(C)C 240690a_100000707721_100000211214 [0,2,0,0,0,0|1,0,1]=4 3951 B11R0.119 C#CC(C)NC(=O)CC(C)(C)C 527a_100000707721_100000211214 [0,2,0,0,0,0|1,0,1]=4 3952 B11R0.119 C#CC(C)NC(=O)CC(C)(C)O 527a_100000707721_100000693243 [0,2,0,0,0,0|1,0,1]=4 3953 B11R0.119 C=CC(C)CC(=O)C[Si](C)(C)C 1458a_100011934298_100000233785 [0,2,0,0,0,0|0,1,1]=4 3954 B11R0.119 C=CC(C)CC(=O)NC(C)(C)C 11a_100000715429_100011934298 [0,2,0,0,0,0|1,0,1]=4 3955 B11R0.119 C=CC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100011934298 [0,2,0,0,0,0|1,0,1]=4 3956 B11R0.119 C=CC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100011934298 [0,2,0,0,0,0|1,0,1]=4 3957 B11R0.119 C=CC(C)CC(=O)NC(C)(C)C 527a_100000715429_100011934298 [0,2,0,0,0,0|1,0,1]=4 3958 B11R0.119 CC(C#N)NC(=O)CC(C)(C)C 11a_100000737613_100000211214 [0,2,0,0,0,0|1,0,1]=4 3959 B11R0.119 CC(C#N)NC(=O)CC(C)(C)C 1626a_100000737613_100000211214 [0,2,0,0,0,0|1,0,1]=4 3960 B11R0.119 CC(C#N)NC(=O)CC(C)(C)C 527a_100000737613_100000211214 [0,2,0,0,0,0|1,0,1]=4 3961 B11R0.119 CC(C#N)NC(=O)CC(C)(C)O 527a_100000737613_100000693243 [0,2,0,0,0,0|1,0,1]=4 3962 B11R0.119 CCC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000747405 [0,2,0,0,0,0|1,0,1]=4 3963 B11R0.119 CCC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000747405 [0,2,0,0,0,0|1,0,1]=4 3964 B11R0.119 CCC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000748023 [0,2,0,0,0,0|0,0,0]=2 3965 B11R0.119 CCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748023 [0,2,0,0,0,0|0,0,0]=2 3966 B11R0.119 CCC(C)CC(=O)CC(F)(F)F 1458a_100000245130_100000748023 [0,2,0,0,0,0|2,0,0]=4 3967 B11R0.119 CCC(C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000748023 [0,2,0,0,0,0|2,0,0]=4 3968 B11R0.119 CCC(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000748023 [0,2,0,0,0,0|1,0,0]=3 3969 B11R0.119 CCC(C)CC(=O)C[Si](C)(C)C 1458a_100000708755_100000233785 [0,2,0,0,0,0|0,1,0]=3 3970 B11R0.119 CCC(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000748023 [0,2,0,0,0,0|0,1,0]=3 3971 B11R0.119 CCC(C)CC(=O)NC(C)(C)C 11a_100000715429_100000708755 [0,2,0,0,0,0|1,0,0]=3 3972 B11R0.119 CCC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100000708755 [0,2,0,0,0,0|1,0,0]=3 3973 B11R0.119 CCC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000708755 [0,2,0,0,0,0|1,0,0]=3 3974 B11R0.119 CCC(C)CC(=O)NC(C)(C)C 527a_100000715429_100000708755 [0,2,0,0,0,0|1,0,0]=3 3975 B11R0.119 CCC(C)CN(C)CC(C)(C)C 2230a_100000742839_100000748023 [0,2,0,0,0,0|2,0,0]=4 3976 B11R0.119 CCC(C)CN(C)CC(C)(C)C 269982a_100000742839_100000748023 [0,2,0,0,0,0|2,0,0]=4 3977 B11R0.119 CCC(C)CN(C)CC(C)(C)C 270004a_100000742839_100000243153 [0,2,0,0,0,0|2,0,0]=4 3978 B11R0.119 CCC(C)CN(C)CC(C)(C)C 270004a_100000753921_100011204126 [0,2,0,0,0,0|2,0,0]=4 3979 B11R0.119 CCC(C)CN(C)CC(C)(C)O 2230a_100000755907_100000748023 [0,2,0,0,0,0|2,0,0]=4 3980 B11R0.119 CCC(C)CN(C)CC(C)(C)O 269982a_100000755907_100000748023 [0,2,0,0,0,0|2,0,0]=4 3981 B11R0.119 CCC(C)CN(C)CC(C)(C)O 270004a_100000755907_100000243153 [0,2,0,0,0,0|2,0,0]=4 3982 B11R0.119 CCC(C)NC(=O)CC(C)(C)C 11a_100000209981_100000211214 [0,2,0,0,0,0|1,0,0]=3 3983 B11R0.119 CCC(C)NC(=O)CC(C)(C)C 1626a_100000209981_100000211214 [0,2,0,0,0,0|1,0,0]=3 3984 B11R0.119 CCC(C)NC(=O)CC(C)(C)C 240690a_100000209981_100000211214 [0,2,0,0,0,0|1,0,0]=3 3985 B11R0.119 CCC(C)NC(=O)CC(C)(C)C 527a_100000209981_100000211214 [0,2,0,0,0,0|1,0,0]=3 3986 B11R0.119 CCC(C)NC(=O)CC(C)(C)O 527a_100000209981_100000693243 [0,2,0,0,0,0|1,0,0]=3 3987 B11R0.119 CCC(C)NC(=O)C[N+](C)(C)C 11a_100000209981_100000033712 [0,2,0,0,0,0|2,0,0]=4 3988 B11R0.119 CCC(C)NC(=O)C[N+](C)(C)C 1626a_100000209981_100000033712 [0,2,0,0,0,0|2,0,0]=4 3989 B11R0.119 CCC(C)NC(=O)C[N+](C)(C)C 240690a_100000209981_100000033712 [0,2,0,0,0,0|2,0,0]=4 3990 B11R0.119 CCC(C)NC(=O)C[N+](C)(C)C 527a_100000209981_100000033712 [0,2,0,0,0,0|2,0,0]=4 3991 B11R0.119 CCC(C)NC(=O)C[Si](C)(C)C 11a_100000209981_100011218504 [0,2,0,0,0,0|1,1,0]=4 3992 B11R0.119 CCC(C)NC(=O)C[Si](C)(C)C 1626a_100000209981_100011218504 [0,2,0,0,0,0|1,1,0]=4 3993 B11R0.119 CCC(C)NC(=O)NC(C)(C)C 2708a_100000209981_100000715429 [0,2,0,0,0,0|2,0,0]=4 3994 B11R0.119 CCC(C)NC(=O)NC(C)(C)C 273464a_100000209981_100000715429 [0,2,0,0,0,0|2,0,0]=4 3995 B11R0.119 CCC(C)NC(=O)NC(C)(C)C 273464a_100000715429_100000209981 [0,2,0,0,0,0|2,0,0]=4 3996 B11R0.119 CCC(C)NC(=O)NC(C)(C)C 512a_100000715429_100000209981 [0,2,0,0,0,0|2,0,0]=4 3997 B11R0.119 CCC(O)CC(=O)CC(C)(C)C 1458a_100000211214_100011218378 [0,2,0,0,0,0|1,0,0]=3 3998 B11R0.119 CCC(O)CC(=O)CC(C)(C)O 1458a_100000693243_100011218378 [0,2,0,0,0,0|1,0,0]=3 3999 B11R0.119 CCC(O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100011218378 [0,2,0,0,0,0|2,0,0]=4 4000 B11R0.119 CCC(O)CC(=O)C[Si](C)(C)C 1458a_100011218504_100011218378 [0,2,0,0,0,0|1,1,0]=4 4001 B11R0.119 CCC(O)CC(=O)C[Si](C)(C)C 1458a_100011667805_100000233785 [0,2,0,0,0,0|1,1,0]=4 4002 B11R0.119 CCC(O)CC(=O)NC(C)(C)C 1626a_100000715429_100011667805 [0,2,0,0,0,0|2,0,0]=4 4003 B11R0.119 CCC(O)CC(=O)NC(C)(C)C 240690a_100000715429_100011667805 [0,2,0,0,0,0|2,0,0]=4 4004 B11R0.119 CCN(C)CC(=O)C[Si](C)(C)C 1458a_100116209913_100000233785 [0,2,0,0,0,0|1,1,0]=4 4005 B11R0.119 CCN(C)CC(=O)NC(C)(C)C 2230a_100000225621_100000182746 [0,2,0,0,0,0|2,0,0]=4 4006 B11R0.119 CCN(C)CC(=O)NC(C)(C)C 240690a_100000715429_100116209913 [0,2,0,0,0,0|2,0,0]=4 4007 B11R0.119 CCN(C)CC(=O)NC(C)(C)C 269982a_100000225621_100000182746 [0,2,0,0,0,0|2,0,0]=4 4008 B11R0.119 CCN(C)CC(=O)NC(C)(C)C 527a_100000715429_100116209913 [0,2,0,0,0,0|2,0,0]=4 4009 B11R0.119 CCN(C)CC(=O)OC(C)(C)C 2230a_100000220609_200000210301 [0,2,0,0,0,0|2,0,0]=4 4010 B11R0.119 CCN(C)CC(=O)OC(C)(C)C 2230a_100000225621_100000183872 [0,2,0,0,0,0|2,0,0]=4 4011 B11R0.119 CCN(C)CC(=O)OC(C)(C)C 2230a_100000725589_100000210202 [0,2,0,0,0,0|2,0,0]=4 4012 B11R0.119 CCN([13CH3])CC(=O)OC(C)(C)C 2230a_100000220609_200025704644 [0,2,0,0,0,0|2,0,0]=4 4013 B11R0.119 CC[C@H](C)CC(=O)CC(C)(C)C 1458a_100000211214_100009816398 [0,2,0,0,0,0|0,0,0]=2 4014 B11R0.119 CC[C@H](C)CC(=O)CC(C)(C)O 1458a_100000693243_100009816398 [0,2,0,0,0,0|0,0,0]=2 4015 B11R0.119 CC[C@H](C)CC(=O)CC(F)(F)F 1458a_100000245130_100009816398 [0,2,0,0,0,0|2,0,0]=4 4016 B11R0.119 CC[C@H](C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100009816398 [0,2,0,0,0,0|2,0,0]=4 4017 B11R0.119 CC[C@H](C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100009816398 [0,2,0,0,0,0|1,0,0]=3 4018 B11R0.119 CC[C@H](C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100009816398 [0,2,0,0,0,0|0,1,0]=3 4019 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)C 2230a_100000742839_100009816398 [0,2,0,0,0,0|2,0,0]=4 4020 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)C 269982a_100000742839_100009816398 [0,2,0,0,0,0|2,0,0]=4 4021 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)O 2230a_100000755907_100009816398 [0,2,0,0,0,0|2,0,0]=4 4022 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)O 269982a_100000755907_100009816398 [0,2,0,0,0,0|2,0,0]=4 4023 B11R0.119 CNC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000183359 [0,2,0,0,0,0|1,0,1]=4 4024 B11R0.119 CNC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000183359 [0,2,0,0,0,0|1,0,1]=4 4025 B11R0.119 COC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000747449 [0,2,0,0,0,0|1,0,1]=4 4026 B11R0.119 COC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000747449 [0,2,0,0,0,0|1,0,1]=4 4027 B11R0.119 CO[C@@H](C)CC(=O)OC(C)(C)C 7a_100000138086_200000210301 [0,2,0,0,0,0|1,0,0]=3 4028 B11R0.119 C[C@@H](CC(=O)OC(C)(C)C)O[13CH3] 7a_100000138086_200025704644 [0,2,0,0,0,0|1,0,0]=3 4029 B11R0.119 C[C@@H](CO)CC(=O)CC(C)(C)C 1458a_100000211214_100000059175 [0,2,0,0,0,0|0,0,0]=2 4030 B11R0.119 C[C@@H](CO)CC(=O)CC(C)(C)O 1458a_100000693243_100000059175 [0,2,0,0,0,0|0,0,0]=2 4031 B11R0.119 C[C@@H](CO)CC(=O)CC(F)(F)F 1458a_100000245130_100000059175 [0,2,0,0,0,0|2,0,0]=4 4032 B11R0.119 C[C@@H](CO)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000059175 [0,2,0,0,0,0|2,0,0]=4 4033 B11R0.119 C[C@@H](CO)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000059175 [0,2,0,0,0,0|1,0,0]=3 4034 B11R0.119 C[C@@H](CO)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000059175 [0,2,0,0,0,0|0,1,0]=3 4035 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)C 2230a_100000742839_100000059175 [0,2,0,0,0,0|2,0,0]=4 4036 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)C 269982a_100000742839_100000059175 [0,2,0,0,0,0|2,0,0]=4 4037 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)O 2230a_100000755907_100000059175 [0,2,0,0,0,0|2,0,0]=4 4038 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)O 269982a_100000755907_100000059175 [0,2,0,0,0,0|2,0,0]=4 4039 B11R0.119 C[C@H](CF)NC(=O)CC(C)(C)C 11a_100102880703_100000211214 [0,2,0,0,0,0|1,0,0]=3 4040 B11R0.119 C[C@H](CF)NC(=O)CC(C)(C)C 1626a_100102880703_100000211214 [0,2,0,0,0,0|1,0,0]=3 4041 B11R0.119 C[C@H](CF)NC(=O)CC(C)(C)C 240690a_100102880703_100000211214 [0,2,0,0,0,0|1,0,0]=3 4042 B11R0.119 C[C@H](CF)NC(=O)CC(C)(C)C 527a_100102880703_100000211214 [0,2,0,0,0,0|1,0,0]=3 4043 B11R0.119 C[C@H](CF)NC(=O)CC(C)(C)O 527a_100102880703_100000693243 [0,2,0,0,0,0|1,0,0]=3 4044 B11R0.119 C[C@H](CF)NC(=O)C[N+](C)(C)C 11a_100102880703_100000033712 [0,2,0,0,0,0|2,0,0]=4 4045 B11R0.119 C[C@H](CF)NC(=O)C[N+](C)(C)C 1626a_100102880703_100000033712 [0,2,0,0,0,0|2,0,0]=4 4046 B11R0.119 C[C@H](CF)NC(=O)C[N+](C)(C)C 240690a_100102880703_100000033712 [0,2,0,0,0,0|2,0,0]=4 4047 B11R0.119 C[C@H](CF)NC(=O)C[N+](C)(C)C 527a_100102880703_100000033712 [0,2,0,0,0,0|2,0,0]=4 4048 B11R0.119 C[C@H](CF)NC(=O)C[Si](C)(C)C 11a_100102880703_100011218504 [0,2,0,0,0,0|1,1,0]=4 4049 B11R0.119 C[C@H](CF)NC(=O)C[Si](C)(C)C 1626a_100102880703_100011218504 [0,2,0,0,0,0|1,1,0]=4 4050 B11R0.119 C[C@H](CF)NC(=O)NC(C)(C)C 273464a_100000715429_100102880703 [0,2,0,0,0,0|2,0,0]=4 4051 B11R0.119 C[C@H](CF)NC(=O)NC(C)(C)C 273464a_100102880703_100000715429 [0,2,0,0,0,0|2,0,0]=4 4052 B11R0.119 C[C@H](CF)NC(=O)NC(C)(C)C 512a_100000715429_100102880703 [0,2,0,0,0,0|2,0,0]=4 4053 B11R0.119 C[C@H](CO)NC(=O)CC(C)(C)C 240690a_100000737577_100000211214 [0,2,0,0,0,0|1,0,0]=3 4054 B11R0.119 C[C@H](CO)NC(=O)CC(C)(C)C 527a_100000737577_100000211214 [0,2,0,0,0,0|1,0,0]=3 4055 B11R0.119 C[C@H](CO)NC(=O)CC(C)(C)O 527a_100000737577_100000693243 [0,2,0,0,0,0|1,0,0]=3 4056 B11R0.119 C[C@H](CO)NC(=O)C[N+](C)(C)C 240690a_100000737577_100000033712 [0,2,0,0,0,0|2,0,0]=4 4057 B11R0.119 C[C@H](CO)NC(=O)C[N+](C)(C)C 527a_100000737577_100000033712 [0,2,0,0,0,0|2,0,0]=4 4058 B11R0.119 C[C@H](CO)NC(=O)NC(C)(C)C 273464a_100000737577_100000715429 [0,2,0,0,0,0|2,0,0]=4 4059 B11R0.119 C[C@H](CO)NC(=O)NC(C)(C)C 512a_100000715429_100000737577 [0,2,0,0,0,0|2,0,0]=4 4060 B11R0.208 CC(C)CS(=O)(=O)NC(C)(C)C 270084a_100000715429_100000748289 [0,2,0,0,0,0|2,0,0]=4 4061 B11R0.208 CC(C)CS(=O)(=O)NC(C)(C)C 274078a_100000715429_100000748289 [0,2,0,0,0,0|2,0,0]=4 4062 B11R0.274 CCN(CC(C)C)CC(C)(C)C 2230a_100000732750_100000210760 [0,2,0,0,0,0|2,0,0]=4 4063 B11R0.274 CCN(CC(C)C)CC(C)(C)C 269982a_100000732750_100000210624 [0,2,0,0,0,0|2,0,0]=4 4064 B11R0.274 CCN(CC(C)C)CC(C)(C)C 270004a_100000732750_100000210432 [0,2,0,0,0,0|2,0,0]=4 4065 B11R0.274 CCN(CC(C)C)CC(C)(C)C 270004a_100000738554_100011204126 [0,2,0,0,0,0|2,0,0]=4 4066 B11R0.274 CCN(CC(C)C)CC(C)(C)O 2230a_100000755687_100000210760 [0,2,0,0,0,0|2,0,0]=4 4067 B11R0.274 CCN(CC(C)C)CC(C)(C)O 269982a_100000755687_100000210624 [0,2,0,0,0,0|2,0,0]=4 4068 B11R0.274 CCN(CC(C)C)CC(C)(C)O 270004a_100000755687_100000210432 [0,2,0,0,0,0|2,0,0]=4 4069 B11R0.300 C#CC(C)(C)NC(=O)CC(C)C 11a_100000054563_100000210554 [0,2,0,0,0,0|1,0,0]=3 4070 B11R0.300 C#CC(C)(C)NC(=O)CC(C)C 1626a_100000054563_100000210554 [0,2,0,0,0,0|1,0,0]=3 4071 B11R0.300 C#CC(C)(C)NC(=O)CC(C)C 240690a_100000054563_100000210554 [0,2,0,0,0,0|1,0,0]=3 4072 B11R0.300 C#CC(C)(C)NC(=O)CN(C)C 11a_100000054563_100000750896 [0,2,0,0,0,0|2,0,0]=4 4073 B11R0.300 C#CC(C)(C)NC(=O)CN(C)C 240690a_100000054563_100000750896 [0,2,0,0,0,0|2,0,0]=4 4074 B11R0.300 C#CC(C)(C)NC(=O)C[C@@H](C)O 240690a_100000054563_100011933948 [0,2,0,0,0,0|2,0,0]=4 4075 B11R0.300 C#CC(C)(C)NC(=O)C[S+](C)C 11a_100000054563_200159257847 [0,2,0,0,0,0|2,0,0]=4 4076 B11R0.300 C#CC(C)(C)NC(=O)C[S+](C)C 1626a_100000054563_200159257847 [0,2,0,0,0,0|2,0,0]=4 4077 B11R0.300 C#CC(C)(C)NC(=O)C[S+](C)C 240690a_100000054563_200159257847 [0,2,0,0,0,0|2,0,0]=4 4078 B11R0.300 C#CC(C)(C)NC(=O)NC(C)C 273464a_100138425928_100000054563 [0,2,0,0,0,0|2,0,0]=4 4079 B11R0.300 C#CC(C)(C)NC(=O)NC(C)C 512a_100000054563_100138425928 [0,2,0,0,0,0|2,0,0]=4 4080 B11R0.300 C#CC(C)(C)NC(=O)NC(C)C 512a_100138425928_100000054563 [0,2,0,0,0,0|2,0,0]=4 4081 B11R0.300 C=C(C)CC(=O)CC(C)(C)CC 1458a_200000763500_100000748629 [0,2,0,0,0,0|0,0,2]=4 4082 B11R0.300 C=C(C)CC(=O)CC(C)(O)CC 1458a_200011219800_100000748629 [0,2,0,0,0,0|0,0,2]=4 4083 B11R0.300 C=C[Si](C)(C)CC(=O)CC(C)C 1458a_100000210554_100000038793 [0,2,0,0,0,0|0,1,0]=3 4084 B11R0.300 C=C[Si](C)(C)CC(=O)CN(C)C 1458a_100000750896_100000038793 [0,2,0,0,0,0|1,1,0]=4 4085 B11R0.300 C=C[Si](C)(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000038793 [0,2,0,0,0,0|1,1,0]=4 4086 B11R0.300 C=C[Si](C)(C)CC(=O)C[S+](C)C 1458a_200159257847_100000038793 [0,2,0,0,0,0|1,1,0]=4 4087 B11R0.300 CC(C)CC(=O)NC(C)(C)C#N 11a_100000761509_100000210554 [0,2,0,0,0,0|1,0,0]=3 4088 B11R0.300 CC(C)CC(=O)NC(C)(C)C#N 1626a_100000761509_100000210554 [0,2,0,0,0,0|1,0,0]=3 4089 B11R0.300 CC(C)CC(=O)NC(C)(C)C#N 527a_100000761509_100000210554 [0,2,0,0,0,0|1,0,0]=3 4090 B11R0.300 CC(C)CC(=O)NC(C)(C)CO 240690a_100000210608_100000210554 [0,2,0,0,0,0|1,0,0]=3 4091 B11R0.300 CC(C)CC(=O)NC(C)(C)CO 527a_100020618417_100000210554 [0,2,0,0,0,0|1,0,0]=3 4092 B11R0.300 CC(C)CN(C)CC(C)(C)CO 2230a_100000732702_100000210760 [0,2,0,0,0,0|2,0,0]=4 4093 B11R0.300 CC(C)CN(C)CC(C)(C)CO 269982a_100000732702_100000210624 [0,2,0,0,0,0|2,0,0]=4 4094 B11R0.300 CC(C)CN(C)CC(C)(C)CO 270004a_100000732702_100000210432 [0,2,0,0,0,0|2,0,0]=4 4095 B11R0.300 CC(C)NC(=O)NC(C)(C)C#N 273464a_100138425928_100000761509 [0,2,0,0,0,0|2,0,0]=4 4096 B11R0.300 CC(C)NC(=O)NC(C)(C)C#N 512a_100000761509_100138425928 [0,2,0,0,0,0|2,0,0]=4 4097 B11R0.300 CC(C)NC(=O)NC(C)(C)C#N 512a_100138425928_100000761509 [0,2,0,0,0,0|2,0,0]=4 4098 B11R0.300 CC(C)NC(=O)NC(C)(C)CO 2708a_100138425928_100000210608 [0,2,0,0,0,0|2,0,0]=4 4099 B11R0.300 CC(C)NC(=O)NC(C)(C)CO 273464a_100138425928_100000210608 [0,2,0,0,0,0|2,0,0]=4 4100 B11R0.300 CC(C)NC(=O)NC(C)(C)CO 512a_100000210608_100138425928 [0,2,0,0,0,0|2,0,0]=4 4101 B11R0.300 CCC(C)(C)CC(=O)CC(C)C 1458a_200000763500_100000210624 [0,2,0,0,0,0|0,0,0]=2 4102 B11R0.300 CCC(C)(C)CC(=O)CC(C)O 1458a_200000763500_100011218427 [0,2,0,0,0,0|1,0,0]=3 4103 B11R0.300 CCC(C)(C)CC(=O)CC(F)F 1458a_200000763500_100011934356 [0,2,0,0,0,0|2,0,0]=4 4104 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 11a_100138425928_200000763500 [0,2,0,0,0,0|1,0,0]=3 4105 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 1626a_100138425928_200000763500 [0,2,0,0,0,0|1,0,0]=3 4106 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 240690a_100138425928_200000763500 [0,2,0,0,0,0|1,0,0]=3 4107 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 527a_100138425928_200000763500 [0,2,0,0,0,0|1,0,0]=3 4108 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 11a_100000211385_100000210554 [0,2,0,0,0,0|1,0,0]=3 4109 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 1626a_100000211385_100000210554 [0,2,0,0,0,0|1,0,0]=3 4110 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 240690a_100000211385_100000210554 [0,2,0,0,0,0|1,0,0]=3 4111 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 527a_100000211385_100000210554 [0,2,0,0,0,0|1,0,0]=3 4112 B11R0.300 CCC(C)(C)NC(=O)CN(C)C 11a_100000211385_100000750896 [0,2,0,0,0,0|2,0,0]=4 4113 B11R0.300 CCC(C)(C)NC(=O)CN(C)C 2230a_100102631434_100000230344 [0,2,0,0,0,0|2,0,0]=4 4114 B11R0.300 CCC(C)(C)NC(=O)CN(C)C 240690a_100000211385_100000750896 [0,2,0,0,0,0|2,0,0]=4 4115 B11R0.300 CCC(C)(C)NC(=O)CN(C)C 269982a_100102631434_100000230344 [0,2,0,0,0,0|2,0,0]=4 4116 B11R0.300 CCC(C)(C)NC(=O)CN(C)C 527a_100000211385_100000750896 [0,2,0,0,0,0|2,0,0]=4 4117 B11R0.300 CCC(C)(C)NC(=O)C[C@@H](C)O 240690a_100000211385_100011933948 [0,2,0,0,0,0|2,0,0]=4 4118 B11R0.300 CCC(C)(C)NC(=O)C[S+](C)C 11a_100000211385_200159257847 [0,2,0,0,0,0|2,0,0]=4 4119 B11R0.300 CCC(C)(C)NC(=O)C[S+](C)C 1626a_100000211385_200159257847 [0,2,0,0,0,0|2,0,0]=4 4120 B11R0.300 CCC(C)(C)NC(=O)C[S+](C)C 240690a_100000211385_200159257847 [0,2,0,0,0,0|2,0,0]=4 4121 B11R0.300 CCC(C)(C)NC(=O)C[S+](C)C 527a_100000211385_200159257847 [0,2,0,0,0,0|2,0,0]=4 4122 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 2708a_100138425928_100000211385 [0,2,0,0,0,0|2,0,0]=4 4123 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 273464a_100138425928_100000211385 [0,2,0,0,0,0|2,0,0]=4 4124 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 512a_100000211385_100138425928 [0,2,0,0,0,0|2,0,0]=4 4125 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 512a_100138425928_100000211385 [0,2,0,0,0,0|2,0,0]=4 4126 B11R0.300 CCC(C)(O)CC(=O)CC(C)C 1458a_200011219800_100000210624 [0,2,0,0,0,0|0,0,0]=2 4127 B11R0.300 CCC(C)(O)CC(=O)CC(C)O 1458a_200011219800_100011218427 [0,2,0,0,0,0|1,0,0]=3 4128 B11R0.300 CCC(C)(O)CC(=O)CC(F)F 1458a_200011219800_100011934356 [0,2,0,0,0,0|2,0,0]=4 4129 B11R0.300 CCC(C)(O)CC(=O)NC(C)C 240690a_100138425928_200011219800 [0,2,0,0,0,0|1,0,0]=3 4130 B11R0.300 CCC(C)(O)CC(=O)NC(C)C 527a_100138425928_200011219800 [0,2,0,0,0,0|1,0,0]=3 4131 B11R0.300 CCS(=O)(=O)CC(=O)CC(C)C 1458a_100000744335_100000210624 [0,2,0,0,0,0|2,0,0]=4 4132 B11R0.300 CN(C)CC(=O)NC(C)(C)C#N 11a_100000761509_100000750896 [0,2,0,0,0,0|2,0,0]=4 4133 B11R0.300 CN(C)CC(=O)NC(C)(C)C#N 527a_100000761509_100000750896 [0,2,0,0,0,0|2,0,0]=4 4134 B11R0.300 CN(C)CC(=O)NC(C)(C)CO 240690a_100000210608_100000750896 [0,2,0,0,0,0|2,0,0]=4 4135 B11R0.300 CN(C)CC(=O)NC(C)(C)CO 527a_100020618417_100000750896 [0,2,0,0,0,0|2,0,0]=4 4136 B11R0.300 COC(C)(C)CN(C)CC(C)C 269982a_100000747067_100000701081 [0,2,0,0,0,0|2,0,0]=4 4137 B11R0.300 CSC(C)(C)CN(C)CC(C)C 270004a_100000747067_100009845794 [0,2,0,0,0,0|2,0,0]=4 4138 B11R0.300 C[C@@H](O)CC(=O)NC(C)(C)CO 240690a_100000210608_100011933948 [0,2,0,0,0,0|2,0,0]=4 4139 B11R0.300 C[S+](C)CC(=O)NC(C)(C)C#N 11a_100000761509_200159257847 [0,2,0,0,0,0|2,0,0]=4 4140 B11R0.300 C[S+](C)CC(=O)NC(C)(C)C#N 1626a_100000761509_200159257847 [0,2,0,0,0,0|2,0,0]=4 4141 B11R0.300 C[S+](C)CC(=O)NC(C)(C)C#N 527a_100000761509_200159257847 [0,2,0,0,0,0|2,0,0]=4 4142 B11R0.300 C[S+](C)CC(=O)NC(C)(C)CO 240690a_100000210608_200159257847 [0,2,0,0,0,0|2,0,0]=4 4143 B11R0.300 C[S+](C)CC(=O)NC(C)(C)CO 527a_100020618417_200159257847 [0,2,0,0,0,0|2,0,0]=4 4144 B11R0.359 CC(C)(C)CC(=O)C[Si](C)(C)C 1458a_100000211214_100000233785 [0,2,0,0,0,0|0,1,0]=3 4145 B11R0.359 CC(C)(C)CC(=O)NC(C)(C)C 11a_100000715429_100000211214 [0,2,0,0,0,0|1,0,0]=3 4146 B11R0.359 CC(C)(C)CC(=O)NC(C)(C)C 1626a_100000715429_100000211214 [0,2,0,0,0,0|1,0,0]=3 4147 B11R0.359 CC(C)(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000211214 [0,2,0,0,0,0|1,0,0]=3 4148 B11R0.359 CC(C)(C)CC(=O)NC(C)(C)C 527a_100000715429_100000211214 [0,2,0,0,0,0|1,0,0]=3 4149 B11R0.359 CC(C)(C)NC(=O)C[N+](C)(C)C 11a_100000715429_100000033712 [0,2,0,0,0,0|2,0,0]=4 4150 B11R0.359 CC(C)(C)NC(=O)C[N+](C)(C)C 1626a_100000715429_100000033712 [0,2,0,0,0,0|2,0,0]=4 4151 B11R0.359 CC(C)(C)NC(=O)C[N+](C)(C)C 240690a_100000715429_100000033712 [0,2,0,0,0,0|2,0,0]=4 4152 B11R0.359 CC(C)(C)NC(=O)C[N+](C)(C)C 527a_100000715429_100000033712 [0,2,0,0,0,0|2,0,0]=4 4153 B11R0.359 CC(C)(C)NC(=O)C[Si](C)(C)C 11a_100000715429_100011218504 [0,2,0,0,0,0|1,1,0]=4 4154 B11R0.359 CC(C)(C)NC(=O)C[Si](C)(C)C 1626a_100000715429_100011218504 [0,2,0,0,0,0|1,1,0]=4 4155 B11R0.359 CC(C)(C)NC(=O)NC(C)(C)C 273464a_100000715429_100000715429 [0,2,0,0,0,0|2,0,0]=4 4156 B11R0.359 CC(C)(O)CC(=O)C[Si](C)(C)C 1458a_100000693243_100000233785 [0,2,0,0,0,0|0,1,0]=3 4157 B11R0.359 CC(C)(O)CC(=O)NC(C)(C)C 527a_100000715429_100000693243 [0,2,0,0,0,0|1,0,0]=3 4158 B11R0.359 CC(C)(O)CN([13CH3])CC(C)(C)O 2230a_100011965587_200025704644 [0,2,0,0,0,0|2,0,0]=4 4159 B11R0.359 CC(C)(O)CN([13CH3])CC(C)(C)O 269982a_100011965587_200025704644 [0,2,0,0,0,0|2,0,0]=4 4160 B11R0.359 CN(CC(C)(C)C)CC(C)(C)C 270004a_100000742839_100011204126 [0,2,0,0,0,0|2,0,0]=4 4161 B11R0.359 CN(CC(C)(C)C)CC(C)(C)O 270004a_100000755907_100011204126 [0,2,0,0,0,0|2,0,0]=4 4162 B11R0.359 CN(CC(C)(C)O)CC(C)(C)O 2230a_100011965587_200000210301 [0,2,0,0,0,0|2,0,0]=4 4163 B11R0.359 CN(CC(C)(C)O)CC(C)(C)O 269982a_100011965587_200000210301 [0,2,0,0,0,0|2,0,0]=4 4164 B11R0.359 C[N+](C)(C)CC(=O)C[Si](C)(C)C 1458a_100000033712_100000233785 [0,2,0,0,0,0|1,1,0]=4 4165 B11R0.359 C[Si](C)(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000233785 [0,2,0,0,0,0|0,2,0]=4 4166 B11R0.1 C#CCN(C)CC(=O)NC(C)C 2230a_100000168146_100000038162 [0,2,0,0,0,0|2,0,0]=4 4167 B11R0.1 C#CCN(C)CC(=O)NC(C)C 2230a_100000225692_100000183996 [0,2,0,0,0,0|2,0,0]=4 4168 B11R0.1 C#CCN(C)CC(=O)NC(C)C 34a_100000225692_100000183996 [0,2,0,0,0,0|2,0,0]=4 4169 B11R0.1 C#CCN(C)CC(=O)OC(C)C 2230a_100000225692_100011215430 [0,2,0,0,0,0|2,0,0]=4 4170 B11R0.1 C#CCN(C)CC(=O)OC(C)C 34a_100000225692_100011215430 [0,2,0,0,0,0|2,0,0]=4 4171 B11R0.1 C=C(C)CC(=O)CC(C)CCC 1458a_100000748435_100000748629 [0,2,0,0,0,0|0,0,2]=4 4172 B11R0.1 C=C(C)CC(=O)CC(C)SCC 1458a_200011311441_100000748629 [0,2,0,0,0,0|0,0,2]=4 4173 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,2,0,0,0,0|0,0,2]=4 4174 B11R0.1 C=CCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210623 [0,2,0,0,0,0|2,0,0]=4 4175 B11R0.1 C=CCN(C)CC(=O)NC(C)C 2230a_100000225617_100000183996 [0,2,0,0,0,0|2,0,0]=4 4176 B11R0.1 C=CCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210623 [0,2,0,0,0,0|2,0,0]=4 4177 B11R0.1 C=CCN(C)CC(=O)NC(C)C 269982a_100000225617_100000183996 [0,2,0,0,0,0|2,0,0]=4 4178 B11R0.1 C=CCN(C)CC(=O)OC(C)C 2230a_100000225617_100011215430 [0,2,0,0,0,0|2,0,0]=4 4179 B11R0.1 C=CCN(C)CC(=O)OC(C)C 269982a_100000225617_100011215430 [0,2,0,0,0,0|2,0,0]=4 4180 B11R0.1 CC(C)CC(=O)CC(=O)NCO 1458a_100000210554_100000185155 [0,2,0,0,0,0|1,0,1]=4 4181 B11R0.1 CC(C)CC(=O)N[C@@H](C)CC#N 11a_100016994482_100000210554 [0,2,0,0,0,0|1,0,0]=3 4182 B11R0.1 CC(C)CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210554 [0,2,0,0,0,0|1,0,0]=3 4183 B11R0.1 CC(C)CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210554 [0,2,0,0,0,0|1,0,0]=3 4184 B11R0.1 CC(C)CC(=O)N[C@@H](C)CC#N 527a_100016994482_100000210554 [0,2,0,0,0,0|1,0,0]=3 4185 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210554 [0,2,0,0,0,0|1,0,0]=3 4186 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 527a_100000706166_100000210554 [0,2,0,0,0,0|1,0,0]=3 4187 B11R0.1 CC(C)NC(=O)CN(C)CC#N 2230a_100000168146_100011215382 [0,2,0,0,0,0|2,0,0]=4 4188 B11R0.1 CC(C)NC(=O)CN(C)CC#N 2230a_100000748184_100000183996 [0,2,0,0,0,0|2,0,0]=4 4189 B11R0.1 CC(C)NC(=O)CN(C)CC#N 269982a_100000168146_100011214920 [0,2,0,0,0,0|2,0,0]=4 4190 B11R0.1 CC(C)NC(=O)CN(C)CC=O 2230a_100000168146_200015260668 [0,2,0,0,0,0|2,0,0]=4 4191 B11R0.1 CC(C)NC(=O)CN(C)CC=O 269982a_100000168146_200015260668 [0,2,0,0,0,0|2,0,0]=4 4192 B11R0.1 CC(C)NC(=O)CN(C)CCF 2230a_100000168146_100011217306 [0,2,0,0,0,0|2,0,0]=4 4193 B11R0.1 CC(C)NC(=O)CN(C)CCF 269982a_100000168146_100011217306 [0,2,0,0,0,0|2,0,0]=4 4194 B11R0.1 CC(C)NC(=O)CN(C)CCO 2230a_100000168146_100000211926 [0,2,0,0,0,0|2,0,0]=4 4195 B11R0.1 CC(C)NC(=O)CN(C)CCO 2230a_100000210263_100000183996 [0,2,0,0,0,0|2,0,0]=4 4196 B11R0.1 CC(C)NC(=O)CN(C)CCO 269982a_100000168146_100000211926 [0,2,0,0,0,0|2,0,0]=4 4197 B11R0.1 CC(C)NC(=O)CN(C)CCO 269982a_100000210263_100000183996 [0,2,0,0,0,0|2,0,0]=4 4198 B11R0.1 CC(C)NC(=O)N[C@@H](C)CC#N 2708a_100016994482_100138425928 [0,2,0,0,0,0|2,0,0]=4 4199 B11R0.1 CC(C)NC(=O)N[C@@H](C)CC#N 2708a_100138425928_100016994482 [0,2,0,0,0,0|2,0,0]=4 4200 B11R0.1 CC(C)NC(=O)N[C@@H](C)CC#N 273464a_100138425928_100016994482 [0,2,0,0,0,0|2,0,0]=4 4201 B11R0.1 CC(C)NC(=O)N[C@@H](C)CC#N 512a_100016994482_100138425928 [0,2,0,0,0,0|2,0,0]=4 4202 B11R0.1 CC(C)NC(=O)N[C@@H](C)CC#N 512a_100138425928_100016994482 [0,2,0,0,0,0|2,0,0]=4 4203 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 2708a_100138425928_100000706166 [0,2,0,0,0,0|2,0,0]=4 4204 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 512a_100000706166_100138425928 [0,2,0,0,0,0|2,0,0]=4 4205 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 512a_100138425928_100000706166 [0,2,0,0,0,0|2,0,0]=4 4206 B11R0.1 CC(C)OC(=O)CN(C)CC#N 2230a_100000748184_100011215430 [0,2,0,0,0,0|2,0,0]=4 4207 B11R0.1 CC(C)OC(=O)CN(C)CCO 2230a_100000210263_100011215430 [0,2,0,0,0,0|2,0,0]=4 4208 B11R0.1 CC(C)OC(=O)CN(C)CCO 269982a_100000210263_100011215430 [0,2,0,0,0,0|2,0,0]=4 4209 B11R0.1 CC(C)OC(=O)OC(C)SCF 62a_100000067433_100015361967 [0,2,0,0,0,0|2,0,0]=4 4210 B11R0.1 CC(C)OC(=O)OC(C)SCF 62a_100015361967_100000067433 [0,2,0,0,0,0|2,0,0]=4 4211 B11R0.1 CCCC(=CC(=O)CC(C)C)C 1458a_100020676950_100000210624 [0,2,0,0,0,0|0,0,2]=4 4212 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,2,0,0,0,0|1,0,1]=4 4213 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,2,0,0,0,0|0,0,2]=4 4214 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,2,0,0,0,0|0,0,0]=2 4215 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,2,0,0,0,0|0,0,0]=2 4216 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,2,0,0,0,0|1,0,0]=3 4217 B11R0.1 CCCC(C)CC(=O)CC(F)F 1458a_100000748435_100011934356 [0,2,0,0,0,0|2,0,0]=4 4218 B11R0.1 CCCC(C)CC(=O)CN(C)C 1458a_100000750896_100011216630 [0,2,0,0,0,0|1,0,0]=3 4219 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,2,0,0,0,0|1,0,0]=3 4220 B11R0.1 CCCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100011216630 [0,2,0,0,0,0|1,0,0]=3 4221 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 4222 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 4223 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 4224 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 4225 B11R0.1 CCCC(C)CN(C)CC(C)C 2230a_100000747067_100011216630 [0,2,0,0,0,0|2,0,0]=4 4226 B11R0.1 CCCC(C)CN(C)CC(C)C 269982a_100000747067_100011216630 [0,2,0,0,0,0|2,0,0]=4 4227 B11R0.1 CCCC(C)CN(C)CC(C)C 270004a_100000747067_100000243154 [0,2,0,0,0,0|2,0,0]=4 4228 B11R0.1 CCCC(C)NC(=O)CC(C)C 11a_100000741246_100000210554 [0,2,0,0,0,0|1,0,0]=3 4229 B11R0.1 CCCC(C)NC(=O)CC(C)C 1626a_100000741246_100000210554 [0,2,0,0,0,0|1,0,0]=3 4230 B11R0.1 CCCC(C)NC(=O)CC(C)C 240690a_100000741246_100000210554 [0,2,0,0,0,0|1,0,0]=3 4231 B11R0.1 CCCC(C)NC(=O)CC(C)C 527a_100000741246_100000210554 [0,2,0,0,0,0|1,0,0]=3 4232 B11R0.1 CCCC(C)NC(=O)CN(C)C 11a_100000741246_100000750896 [0,2,0,0,0,0|2,0,0]=4 4233 B11R0.1 CCCC(C)NC(=O)CN(C)C 240690a_100000741246_100000750896 [0,2,0,0,0,0|2,0,0]=4 4234 B11R0.1 CCCC(C)NC(=O)CN(C)C 527a_100000741246_100000750896 [0,2,0,0,0,0|2,0,0]=4 4235 B11R0.1 CCCC(C)NC(=O)C[C@@H](C)O 240690a_100000741246_100011933948 [0,2,0,0,0,0|2,0,0]=4 4236 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 11a_100000741246_200159257847 [0,2,0,0,0,0|2,0,0]=4 4237 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 1626a_100000741246_200159257847 [0,2,0,0,0,0|2,0,0]=4 4238 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 240690a_100000741246_200159257847 [0,2,0,0,0,0|2,0,0]=4 4239 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 527a_100000741246_200159257847 [0,2,0,0,0,0|2,0,0]=4 4240 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100000741246_100138425928 [0,2,0,0,0,0|2,0,0]=4 4241 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000741246 [0,2,0,0,0,0|2,0,0]=4 4242 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100000741246_100138425928 [0,2,0,0,0,0|2,0,0]=4 4243 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100138425928_100000741246 [0,2,0,0,0,0|2,0,0]=4 4244 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210303 [0,2,0,0,0,0|2,0,0]=4 4245 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000747261_100000183996 [0,2,0,0,0,0|2,0,0]=4 4246 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210303 [0,2,0,0,0,0|2,0,0]=4 4247 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000747261_100000183996 [0,2,0,0,0,0|2,0,0]=4 4248 B11R0.1 CCCN(C)CC(=O)OC(C)C 2230a_100000747261_100011215430 [0,2,0,0,0,0|2,0,0]=4 4249 B11R0.1 CCCN(C)CC(=O)OC(C)C 269982a_100000747261_100011215430 [0,2,0,0,0,0|2,0,0]=4 4250 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,2,0,0,0,0|2,0,0]=4 4251 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,2,0,0,0,0|1,0,1]=4 4252 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,2,0,0,0,0|1,0,1]=4 4253 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,2,0,0,0,0|1,0,1]=4 4254 B11R0.1 CCSC(C)CC(=O)CC(C)C 1458a_200011311441_100000210624 [0,2,0,0,0,0|0,0,0]=2 4255 B11R0.1 CCSC(C)CC(=O)CC(C)O 1458a_200011311441_100011218427 [0,2,0,0,0,0|1,0,0]=3 4256 B11R0.1 CCSC(C)CC(=O)CC(F)F 1458a_200011311441_100011934356 [0,2,0,0,0,0|2,0,0]=4 4257 B11R0.1 CCSC(C)CC(=O)NC(C)C 11a_100138425928_200011311441 [0,2,0,0,0,0|1,0,0]=3 4258 B11R0.1 CCSC(C)CC(=O)NC(C)C 1626a_100138425928_200011311441 [0,2,0,0,0,0|1,0,0]=3 4259 B11R0.1 CCSC(C)CC(=O)NC(C)C 240690a_100138425928_200011311441 [0,2,0,0,0,0|1,0,0]=3 4260 B11R0.1 CCSC(C)CC(=O)NC(C)C 527a_100138425928_200011311441 [0,2,0,0,0,0|1,0,0]=3 4261 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210202 [0,2,0,0,0,0|2,0,0]=4 4262 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000210202_100000067433 [0,2,0,0,0,0|2,0,0]=4 4263 B11R0.1 COCN(C)CC(=O)NC(C)C 2230a_100000168146_100000766300 [0,2,0,0,0,0|2,0,0]=4 4264 B11R0.1 COCN(C)CC(=O)NC(C)C 269982a_100000168146_100000766300 [0,2,0,0,0,0|2,0,0]=4 4265 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 11a_100000764878_100000210554 [0,2,0,0,0,0|1,0,0]=3 4266 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 1626a_100000764878_100000210554 [0,2,0,0,0,0|1,0,0]=3 4267 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 240690a_100000764878_100000210554 [0,2,0,0,0,0|1,0,0]=3 4268 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 527a_100000764878_100000210554 [0,2,0,0,0,0|1,0,0]=3 4269 B11R0.1 COC[C@@H](C)NC(=O)CN(C)C 11a_100000764878_100000750896 [0,2,0,0,0,0|2,0,0]=4 4270 B11R0.1 COC[C@@H](C)NC(=O)CN(C)C 240690a_100000764878_100000750896 [0,2,0,0,0,0|2,0,0]=4 4271 B11R0.1 COC[C@@H](C)NC(=O)CN(C)C 527a_100000764878_100000750896 [0,2,0,0,0,0|2,0,0]=4 4272 B11R0.1 COC[C@@H](C)NC(=O)C[C@@H](C)O 240690a_100000764878_100011933948 [0,2,0,0,0,0|2,0,0]=4 4273 B11R0.1 COC[C@@H](C)NC(=O)C[S+](C)C 11a_100000764878_200159257847 [0,2,0,0,0,0|2,0,0]=4 4274 B11R0.1 COC[C@@H](C)NC(=O)C[S+](C)C 1626a_100000764878_200159257847 [0,2,0,0,0,0|2,0,0]=4 4275 B11R0.1 COC[C@@H](C)NC(=O)C[S+](C)C 240690a_100000764878_200159257847 [0,2,0,0,0,0|2,0,0]=4 4276 B11R0.1 COC[C@@H](C)NC(=O)C[S+](C)C 527a_100000764878_200159257847 [0,2,0,0,0,0|2,0,0]=4 4277 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 2708a_100000764878_100138425928 [0,2,0,0,0,0|2,0,0]=4 4278 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 2708a_100138425928_100000764878 [0,2,0,0,0,0|2,0,0]=4 4279 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 273464a_100138425928_100000764878 [0,2,0,0,0,0|2,0,0]=4 4280 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 512a_100000764878_100138425928 [0,2,0,0,0,0|2,0,0]=4 4281 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 512a_100138425928_100000764878 [0,2,0,0,0,0|2,0,0]=4 4282 B11R0.1 CSCN(C)CC(=O)NC(C)C 2230a_100000168146_100011218213 [0,2,0,0,0,0|2,0,0]=4 4283 B11R0.1 CSCN(C)CC(=O)NC(C)C 269982a_100000168146_100011218213 [0,2,0,0,0,0|2,0,0]=4 4284 B11R0.1 C[C@@H](CC#N)NC(=O)CN(C)C 11a_100016994482_100000750896 [0,2,0,0,0,0|2,0,0]=4 4285 B11R0.1 C[C@@H](CC#N)NC(=O)CN(C)C 240690a_100016994482_100000750896 [0,2,0,0,0,0|2,0,0]=4 4286 B11R0.1 C[C@@H](CC#N)NC(=O)CN(C)C 527a_100016994482_100000750896 [0,2,0,0,0,0|2,0,0]=4 4287 B11R0.1 C[C@@H](CC#N)NC(=O)C[S+](C)C 11a_100016994482_200159257847 [0,2,0,0,0,0|2,0,0]=4 4288 B11R0.1 C[C@@H](CC#N)NC(=O)C[S+](C)C 1626a_100016994482_200159257847 [0,2,0,0,0,0|2,0,0]=4 4289 B11R0.1 C[C@@H](CC#N)NC(=O)C[S+](C)C 240690a_100016994482_200159257847 [0,2,0,0,0,0|2,0,0]=4 4290 B11R0.1 C[C@@H](CC#N)NC(=O)C[S+](C)C 527a_100016994482_200159257847 [0,2,0,0,0,0|2,0,0]=4 4291 B11R0.1 C[C@@H](O)CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100011933948 [0,2,0,0,0,0|2,0,0]=4 4292 B11R0.1 C[C@H](CCO)NC(=O)CN(C)C 240690a_100000706166_100000750896 [0,2,0,0,0,0|2,0,0]=4 4293 B11R0.1 C[C@H](CCO)NC(=O)CN(C)C 527a_100000706166_100000750896 [0,2,0,0,0,0|2,0,0]=4 4294 B11R0.1 C[C@H](CCO)NC(=O)C[C@@H](C)O 240690a_100000706166_100011933948 [0,2,0,0,0,0|2,0,0]=4 4295 B11R0.1 C[C@H](CCO)NC(=O)C[S+](C)C 240690a_100000706166_200159257847 [0,2,0,0,0,0|2,0,0]=4 4296 B11R0.1 C[C@H](CCO)NC(=O)C[S+](C)C 527a_100000706166_200159257847 [0,2,0,0,0,0|2,0,0]=4 4297 B11R0.19 C=C(C)CC(=O)CC(OC)OC 1458a_100000082724_100000748629 [0,2,0,0,0,0|0,0,2]=4 4298 B11R0.19 C=C[C@@H](CO)NC(=O)CC(C)C 240690a_100016989147_100000210554 [0,2,0,0,0,0|1,0,1]=4 4299 B11R0.19 C=C[C@@H](CO)NC(=O)CC(C)C 527a_100016989147_100000210554 [0,2,0,0,0,0|1,0,1]=4 4300 B11R0.19 CC(C)CC(=O)NC(CO)CO 240690a_100000759517_100000210554 [0,2,0,0,0,0|1,0,0]=3 4301 B11R0.19 CC(C)CC(=O)NC(CO)CO 527a_100000759517_100000210554 [0,2,0,0,0,0|1,0,0]=3 4302 B11R0.19 CC(C)NC(=O)NC(CO)CO 2708a_100138425928_100000759517 [0,2,0,0,0,0|2,0,0]=4 4303 B11R0.19 CC(C)NC(=O)NC(CO)CO 273464a_100138425928_100000759517 [0,2,0,0,0,0|2,0,0]=4 4304 B11R0.19 CC(C)NC(=O)NC(CO)CO 512a_100138425928_100000759517 [0,2,0,0,0,0|2,0,0]=4 4305 B11R0.19 CCC(CC)CC(=O)C=C(C)C 1458a_100000211388_100011215472 [0,2,0,0,0,0|0,0,2]=4 4306 B11R0.19 CCC(CC)CC(=O)CC(C)C 1458a_100000210554_100011215472 [0,2,0,0,0,0|0,0,0]=2 4307 B11R0.19 CCC(CC)CC(=O)CN(C)C 1458a_100000750896_100011215472 [0,2,0,0,0,0|1,0,0]=3 4308 B11R0.19 CCC(CC)CC(=O)C[C@@H](C)O 1458a_100011933948_100011215472 [0,2,0,0,0,0|1,0,0]=3 4309 B11R0.19 CCC(CC)CC(=O)C[S+](C)C 1458a_200159257847_100011215472 [0,2,0,0,0,0|1,0,0]=3 4310 B11R0.19 CCC(CC)CN(C)CC(C)C 2230a_100000747067_100011215472 [0,2,0,0,0,0|2,0,0]=4 4311 B11R0.19 CCC(CC)CN(C)CC(C)C 269982a_100000747067_100011215472 [0,2,0,0,0,0|2,0,0]=4 4312 B11R0.19 CCC(CC)CN(C)CC(C)C 270004a_100000747067_100000211137 [0,2,0,0,0,0|2,0,0]=4 4313 B11R0.19 CCC(CC)NC(=O)CC(C)C 11a_100000199018_100000210554 [0,2,0,0,0,0|1,0,0]=3 4314 B11R0.19 CCC(CC)NC(=O)CC(C)C 1626a_100000199018_100000210554 [0,2,0,0,0,0|1,0,0]=3 4315 B11R0.19 CCC(CC)NC(=O)CC(C)C 240690a_100000199018_100000210554 [0,2,0,0,0,0|1,0,0]=3 4316 B11R0.19 CCC(CC)NC(=O)CC(C)C 527a_100000199018_100000210554 [0,2,0,0,0,0|1,0,0]=3 4317 B11R0.19 CCC(CC)NC(=O)CN(C)C 11a_100000199018_100000750896 [0,2,0,0,0,0|2,0,0]=4 4318 B11R0.19 CCC(CC)NC(=O)CN(C)C 240690a_100000199018_100000750896 [0,2,0,0,0,0|2,0,0]=4 4319 B11R0.19 CCC(CC)NC(=O)CN(C)C 527a_100000199018_100000750896 [0,2,0,0,0,0|2,0,0]=4 4320 B11R0.19 CCC(CC)NC(=O)C[C@@H](C)O 240690a_100000199018_100011933948 [0,2,0,0,0,0|2,0,0]=4 4321 B11R0.19 CCC(CC)NC(=O)C[S+](C)C 11a_100000199018_200159257847 [0,2,0,0,0,0|2,0,0]=4 4322 B11R0.19 CCC(CC)NC(=O)C[S+](C)C 1626a_100000199018_200159257847 [0,2,0,0,0,0|2,0,0]=4 4323 B11R0.19 CCC(CC)NC(=O)C[S+](C)C 240690a_100000199018_200159257847 [0,2,0,0,0,0|2,0,0]=4 4324 B11R0.19 CCC(CC)NC(=O)C[S+](C)C 527a_100000199018_200159257847 [0,2,0,0,0,0|2,0,0]=4 4325 B11R0.19 CCC(CC)NC(=O)NC(C)C 2708a_100000199018_100138425928 [0,2,0,0,0,0|2,0,0]=4 4326 B11R0.19 CCC(CC)NC(=O)NC(C)C 2708a_100138425928_100000199018 [0,2,0,0,0,0|2,0,0]=4 4327 B11R0.19 CCC(CC)NC(=O)NC(C)C 273464a_100138425928_100000199018 [0,2,0,0,0,0|2,0,0]=4 4328 B11R0.19 CCC(CC)NC(=O)NC(C)C 512a_100000199018_100138425928 [0,2,0,0,0,0|2,0,0]=4 4329 B11R0.19 CCC(CC)NC(=O)NC(C)C 512a_100138425928_100000199018 [0,2,0,0,0,0|2,0,0]=4 4330 B11R0.19 CCN(CC)CC(=O)CC(C)C 1458a_100000758533_100000210624 [0,2,0,0,0,0|1,0,0]=3 4331 B11R0.19 CCN(CC)CC(=O)CC(C)O 1458a_100000758533_100011218427 [0,2,0,0,0,0|2,0,0]=4 4332 B11R0.19 CCN(CC)CC(=O)NC(C)C 11a_100138425928_100000758533 [0,2,0,0,0,0|2,0,0]=4 4333 B11R0.19 CCN(CC)CC(=O)NC(C)C 1626a_100138425928_100000758533 [0,2,0,0,0,0|2,0,0]=4 4334 B11R0.19 CCN(CC)CC(=O)NC(C)C 2230a_100000724800_100000183996 [0,2,0,0,0,0|2,0,0]=4 4335 B11R0.19 CCN(CC)CC(=O)NC(C)C 240690a_100138425928_100000758533 [0,2,0,0,0,0|2,0,0]=4 4336 B11R0.19 CCN(CC)CC(=O)NC(C)C 269956a_100000042499_100000183996 [0,2,0,0,0,0|2,0,0]=4 4337 B11R0.19 CCN(CC)CC(=O)NC(C)C 269982a_100000724800_100000183996 [0,2,0,0,0,0|2,0,0]=4 4338 B11R0.19 CCN(CC)CC(=O)NC(C)C 527a_100138425928_100000758533 [0,2,0,0,0,0|2,0,0]=4 4339 B11R0.19 CCN(CC)CC(=O)OC(C)C 2230a_100000724800_100011215430 [0,2,0,0,0,0|2,0,0]=4 4340 B11R0.19 CCN(CC)CC(=O)OC(C)C 269956a_100000042499_100011215430 [0,2,0,0,0,0|2,0,0]=4 4341 B11R0.19 CCN(CC)CC(=O)OC(C)C 269982a_100000724800_100011215430 [0,2,0,0,0,0|2,0,0]=4 4342 B11R0.19 CC[C@@H](CO)NC(=O)CC(C)C 240690a_100000709445_100000210554 [0,2,0,0,0,0|1,0,0]=3 4343 B11R0.19 CC[C@@H](CO)NC(=O)CC(C)C 527a_100000709445_100000210554 [0,2,0,0,0,0|1,0,0]=3 4344 B11R0.19 CC[C@@H](CO)NC(=O)CN(C)C 240690a_100000709445_100000750896 [0,2,0,0,0,0|2,0,0]=4 4345 B11R0.19 CC[C@@H](CO)NC(=O)CN(C)C 527a_100000709445_100000750896 [0,2,0,0,0,0|2,0,0]=4 4346 B11R0.19 CC[C@@H](CO)NC(=O)C[C@@H](C)O 240690a_100000709445_100011933948 [0,2,0,0,0,0|2,0,0]=4 4347 B11R0.19 CC[C@@H](CO)NC(=O)C[S+](C)C 240690a_100000709445_200159257847 [0,2,0,0,0,0|2,0,0]=4 4348 B11R0.19 CC[C@@H](CO)NC(=O)C[S+](C)C 527a_100000709445_200159257847 [0,2,0,0,0,0|2,0,0]=4 4349 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 2708a_100138425928_100000709445 [0,2,0,0,0,0|2,0,0]=4 4350 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 273464a_100138425928_100000709445 [0,2,0,0,0,0|2,0,0]=4 4351 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 512a_100000709445_100138425928 [0,2,0,0,0,0|2,0,0]=4 4352 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 512a_100138425928_100000709445 [0,2,0,0,0,0|2,0,0]=4 4353 B11R0.19 CN(C)CC(=O)NC(CO)CO 240690a_100000759517_100000750896 [0,2,0,0,0,0|2,0,0]=4 4354 B11R0.19 CN(C)CC(=O)NC(CO)CO 527a_100000759517_100000750896 [0,2,0,0,0,0|2,0,0]=4 4355 B11R0.19 COC(CC(=O)C=C(C)C)OC 1458a_100000211388_100000751394 [0,2,0,0,0,0|0,0,2]=4 4356 B11R0.19 COC(CC(=O)CC(C)C)OC 1458a_100000082724_100000210624 [0,2,0,0,0,0|0,0,0]=2 4357 B11R0.19 COC(CC(=O)CC(C)C)OC 1458a_100000210554_100000751394 [0,2,0,0,0,0|0,0,0]=2 4358 B11R0.19 COC(CC(=O)CC(C)O)OC 1458a_100000082724_100011218427 [0,2,0,0,0,0|1,0,0]=3 4359 B11R0.19 COC(CC(=O)CC(F)F)OC 1458a_100000082724_100011934356 [0,2,0,0,0,0|2,0,0]=4 4360 B11R0.19 COC(CC(=O)CN(C)C)OC 1458a_100000750896_100000751394 [0,2,0,0,0,0|1,0,0]=3 4361 B11R0.19 COC(CC(=O)C[C@@H](C)O)OC 1458a_100011933948_100000751394 [0,2,0,0,0,0|1,0,0]=3 4362 B11R0.19 COC(CC(=O)C[S+](C)C)OC 1458a_200159257847_100000751394 [0,2,0,0,0,0|1,0,0]=3 4363 B11R0.19 COC(CC(=O)NC(C)C)OC 11a_100138425928_100000082724 [0,2,0,0,0,0|1,0,0]=3 4364 B11R0.19 COC(CC(=O)NC(C)C)OC 1626a_100138425928_100000082724 [0,2,0,0,0,0|1,0,0]=3 4365 B11R0.19 COC(CC(=O)NC(C)C)OC 240690a_100138425928_100000082724 [0,2,0,0,0,0|1,0,0]=3 4366 B11R0.19 COC(CC(=O)NC(C)C)OC 527a_100138425928_100000082724 [0,2,0,0,0,0|1,0,0]=3 4367 B11R0.19 COC(CN(C)CC(C)C)OC 2230a_100000747067_100000751394 [0,2,0,0,0,0|2,0,0]=4 4368 B11R0.19 COC(CN(C)CC(C)C)OC 269982a_100000225562_100000210624 [0,2,0,0,0,0|2,0,0]=4 4369 B11R0.19 COC(CN(C)CC(C)C)OC 270004a_100000225562_100000210432 [0,2,0,0,0,0|2,0,0]=4 4370 B11R0.19 COC(CN(C)CC(C)C)OC 270004a_100000747067_100000752162 [0,2,0,0,0,0|2,0,0]=4 4371 B11R0.19 C[C@@H](O)CC(=O)NC(CO)CO 240690a_100000759517_100011933948 [0,2,0,0,0,0|2,0,0]=4 4372 B11R0.19 C[S+](C)CC(=O)NC(CO)CO 240690a_100000759517_200159257847 [0,2,0,0,0,0|2,0,0]=4 4373 B11R0.19 C[S+](C)CC(=O)NC(CO)CO 527a_100000759517_200159257847 [0,2,0,0,0,0|2,0,0]=4 4374 B11R0.91 CCC(C)CN(CC)CC(C)C 2230a_100000738554_100000748023 [0,2,0,0,0,0|2,0,0]=4 4375 B11R0.91 CCC(C)CN(CC)CC(C)C 269982a_100000738554_100000748023 [0,2,0,0,0,0|2,0,0]=4 4376 B11R0.91 CCC(C)CN(CC)CC(C)C 270004a_100000738554_100000243153 [0,2,0,0,0,0|2,0,0]=4 4377 B11R0.91 CCN(CC(C)C)C[C@@H](C)CO 2230a_100000738554_100000059175 [0,2,0,0,0,0|2,0,0]=4 4378 B11R0.91 CCN(CC(C)C)C[C@@H](C)CO 269982a_100000738554_100000059175 [0,2,0,0,0,0|2,0,0]=4 4379 B11R0.91 CC[C@H](C)CN(CC)CC(C)C 2230a_100000738554_100009816398 [0,2,0,0,0,0|2,0,0]=4 4380 B11R0.91 CC[C@H](C)CN(CC)CC(C)C 269982a_100000738554_100009816398 [0,2,0,0,0,0|2,0,0]=4 4381 B11R0.110 C#CC(C)NC(=O)CC(C)CC 11a_100000707721_100000708755 [0,2,0,0,0,0|1,0,1]=4 4382 B11R0.110 C#CC(C)NC(=O)CC(C)CC 1626a_100000707721_100000708755 [0,2,0,0,0,0|1,0,1]=4 4383 B11R0.110 C#CC(C)NC(=O)CC(C)CC 240690a_100000707721_100000708755 [0,2,0,0,0,0|1,0,1]=4 4384 B11R0.110 C#CC(C)NC(=O)CC(C)CC 527a_100000707721_100000708755 [0,2,0,0,0,0|1,0,1]=4 4385 B11R0.110 C=CC(C)CC(=O)CC(C)CC 1458a_100011934298_100000748023 [0,2,0,0,0,0|0,0,1]=3 4386 B11R0.110 C=CC(C)CC(=O)CC(O)CC 1458a_100011934298_100011218378 [0,2,0,0,0,0|1,0,1]=4 4387 B11R0.110 C=CC(C)CC(=O)C[C@@H](C)CC 1458a_100011934298_100009816398 [0,2,0,0,0,0|0,0,1]=3 4388 B11R0.110 C=CC(C)CC(=O)C[C@@H](C)CO 1458a_100011934298_100000059175 [0,2,0,0,0,0|0,0,1]=3 4389 B11R0.110 C=CC(C)CC(=O)NC(C)CC 11a_100000209981_100011934298 [0,2,0,0,0,0|1,0,1]=4 4390 B11R0.110 C=CC(C)CC(=O)NC(C)CC 1626a_100000209981_100011934298 [0,2,0,0,0,0|1,0,1]=4 4391 B11R0.110 C=CC(C)CC(=O)NC(C)CC 240690a_100000209981_100011934298 [0,2,0,0,0,0|1,0,1]=4 4392 B11R0.110 C=CC(C)CC(=O)NC(C)CC 527a_100000209981_100011934298 [0,2,0,0,0,0|1,0,1]=4 4393 B11R0.110 C=CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100011934298 [0,2,0,0,0,0|1,0,1]=4 4394 B11R0.110 C=CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100011934298 [0,2,0,0,0,0|1,0,1]=4 4395 B11R0.110 C=CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100011934298 [0,2,0,0,0,0|1,0,1]=4 4396 B11R0.110 C=CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100011934298 [0,2,0,0,0,0|1,0,1]=4 4397 B11R0.110 C=CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100011934298 [0,2,0,0,0,0|1,0,1]=4 4398 B11R0.110 C=CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100011934298 [0,2,0,0,0,0|1,0,1]=4 4399 B11R0.110 CCC(=CC(=O)CC(C)CC)C 1458a_100020758463_100000748023 [0,2,0,0,0,0|0,0,2]=4 4400 B11R0.110 CCC(=CC(=O)C[C@@H](C)CC)C 1458a_100020758463_100009816398 [0,2,0,0,0,0|0,0,2]=4 4401 B11R0.110 CCC(=CC(=O)C[C@@H](C)CO)C 1458a_100020758463_100000059175 [0,2,0,0,0,0|0,0,2]=4 4402 B11R0.110 CCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747405 [0,2,0,0,0,0|1,0,1]=4 4403 B11R0.110 CCC(C)CC(=O)CC(=O)NC 1458a_100000708755_100000183359 [0,2,0,0,0,0|1,0,1]=4 4404 B11R0.110 CCC(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748023 [0,2,0,0,0,0|1,0,1]=4 4405 B11R0.110 CCC(C)CC(=O)CC(=O)OC 1458a_100000708755_100000747449 [0,2,0,0,0,0|1,0,1]=4 4406 B11R0.110 CCC(C)CC(=O)CC(C)CC 1458a_100000708755_100000748023 [0,2,0,0,0,0|0,0,0]=2 4407 B11R0.110 CCC(C)CC(=O)CC(O)CC 1458a_100000708755_100011218378 [0,2,0,0,0,0|1,0,0]=3 4408 B11R0.110 CCC(C)CC(=O)CC(O)CC 1458a_100011667805_100000748023 [0,2,0,0,0,0|1,0,0]=3 4409 B11R0.110 CCC(C)CC(=O)CN(C)CC 1458a_100116209913_100000748023 [0,2,0,0,0,0|1,0,0]=3 4410 B11R0.110 CCC(C)CC(=O)C[C@@H](C)CC 1458a_100000708755_100009816398 [0,2,0,0,0,0|0,0,0]=2 4411 B11R0.110 CCC(C)CC(=O)C[C@@H](C)CO 1458a_100000708755_100000059175 [0,2,0,0,0,0|0,0,0]=2 4412 B11R0.110 CCC(C)CC(=O)NC(C)C#N 11a_100000737613_100000708755 [0,2,0,0,0,0|1,0,1]=4 4413 B11R0.110 CCC(C)CC(=O)NC(C)C#N 1626a_100000737613_100000708755 [0,2,0,0,0,0|1,0,1]=4 4414 B11R0.110 CCC(C)CC(=O)NC(C)C#N 527a_100000737613_100000708755 [0,2,0,0,0,0|1,0,1]=4 4415 B11R0.110 CCC(C)CC(=O)NC(C)CC 11a_100000209981_100000708755 [0,2,0,0,0,0|1,0,0]=3 4416 B11R0.110 CCC(C)CC(=O)NC(C)CC 1626a_100000209981_100000708755 [0,2,0,0,0,0|1,0,0]=3 4417 B11R0.110 CCC(C)CC(=O)NC(C)CC 240690a_100000209981_100000708755 [0,2,0,0,0,0|1,0,0]=3 4418 B11R0.110 CCC(C)CC(=O)NC(C)CC 527a_100000209981_100000708755 [0,2,0,0,0,0|1,0,0]=3 4419 B11R0.110 CCC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000708755 [0,2,0,0,0,0|1,0,0]=3 4420 B11R0.110 CCC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000708755 [0,2,0,0,0,0|1,0,0]=3 4421 B11R0.110 CCC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000708755 [0,2,0,0,0,0|1,0,0]=3 4422 B11R0.110 CCC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000708755 [0,2,0,0,0,0|1,0,0]=3 4423 B11R0.110 CCC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000708755 [0,2,0,0,0,0|1,0,0]=3 4424 B11R0.110 CCC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000708755 [0,2,0,0,0,0|1,0,0]=3 4425 B11R0.110 CCC(C)CN(C)CC(C)CC 2230a_100000753921_100000748023 [0,2,0,0,0,0|2,0,0]=4 4426 B11R0.110 CCC(C)CN(C)CC(C)CC 269982a_100000753921_100000748023 [0,2,0,0,0,0|2,0,0]=4 4427 B11R0.110 CCC(C)CN(C)CC(C)CC 270004a_100000753921_100000243153 [0,2,0,0,0,0|2,0,0]=4 4428 B11R0.110 CCC(C)CN(C)C[C@@H](C)CC 2230a_100000753921_100009816398 [0,2,0,0,0,0|2,0,0]=4 4429 B11R0.110 CCC(C)CN(C)C[C@@H](C)CC 269982a_100000753921_100009816398 [0,2,0,0,0,0|2,0,0]=4 4430 B11R0.110 CCC(C)CN(C)C[C@@H](C)CO 2230a_100000753921_100000059175 [0,2,0,0,0,0|2,0,0]=4 4431 B11R0.110 CCC(C)CN(C)C[C@@H](C)CO 269982a_100000753921_100000059175 [0,2,0,0,0,0|2,0,0]=4 4432 B11R0.110 CCC(C)NC(=O)CN(C)CC 2230a_100000225621_100000182745 [0,2,0,0,0,0|2,0,0]=4 4433 B11R0.110 CCC(C)NC(=O)CN(C)CC 240690a_100000209981_100116209913 [0,2,0,0,0,0|2,0,0]=4 4434 B11R0.110 CCC(C)NC(=O)CN(C)CC 269982a_100000225621_100000182745 [0,2,0,0,0,0|2,0,0]=4 4435 B11R0.110 CCC(C)NC(=O)CN(C)CC 527a_100000209981_100116209913 [0,2,0,0,0,0|2,0,0]=4 4436 B11R0.110 CCC(C)NC(=O)NC(C)CC 2708a_100000209981_100000209981 [0,2,0,0,0,0|2,0,0]=4 4437 B11R0.110 CCC(C)NC(=O)NC(C)CC 273464a_100000209981_100000209981 [0,2,0,0,0,0|2,0,0]=4 4438 B11R0.110 CCC(C)NC(=O)NC(C)CC 512a_100000209981_100000209981 [0,2,0,0,0,0|2,0,0]=4 4439 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 2708a_100000209981_100102880703 [0,2,0,0,0,0|2,0,0]=4 4440 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 273464a_100000209981_100102880703 [0,2,0,0,0,0|2,0,0]=4 4441 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 273464a_100102880703_100000209981 [0,2,0,0,0,0|2,0,0]=4 4442 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 512a_100000209981_100102880703 [0,2,0,0,0,0|2,0,0]=4 4443 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 512a_100102880703_100000209981 [0,2,0,0,0,0|2,0,0]=4 4444 B11R0.110 CCC(C)NC(=O)N[C@H](C)CO 2708a_100000209981_100000737577 [0,2,0,0,0,0|2,0,0]=4 4445 B11R0.110 CCC(C)NC(=O)N[C@H](C)CO 273464a_100000737577_100000209981 [0,2,0,0,0,0|2,0,0]=4 4446 B11R0.110 CCC(C)NC(=O)N[C@H](C)CO 512a_100000209981_100000737577 [0,2,0,0,0,0|2,0,0]=4 4447 B11R0.110 CCC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100000209981 [0,2,0,0,0,0|2,0,0]=4 4448 B11R0.110 CCC(O)CC(=O)CC(O)CC 1458a_100011667805_100011218378 [0,2,0,0,0,0|2,0,0]=4 4449 B11R0.110 CCC(O)CC(=O)CN(C)CC 1458a_100116209913_100011218378 [0,2,0,0,0,0|2,0,0]=4 4450 B11R0.110 CCC(O)CC(=O)C[C@@H](C)CC 1458a_100011667805_100009816398 [0,2,0,0,0,0|1,0,0]=3 4451 B11R0.110 CCC(O)CC(=O)C[C@@H](C)CO 1458a_100011667805_100000059175 [0,2,0,0,0,0|1,0,0]=3 4452 B11R0.110 CCC(O)CC(=O)NC(C)CC 1626a_100000209981_100011667805 [0,2,0,0,0,0|2,0,0]=4 4453 B11R0.110 CCC(O)CC(=O)NC(C)CC 240690a_100000209981_100011667805 [0,2,0,0,0,0|2,0,0]=4 4454 B11R0.110 CCC(O)CC(=O)N[C@H](C)CF 1626a_100102880703_100011667805 [0,2,0,0,0,0|2,0,0]=4 4455 B11R0.110 CCC(O)CC(=O)N[C@H](C)CF 240690a_100102880703_100011667805 [0,2,0,0,0,0|2,0,0]=4 4456 B11R0.110 CCC(O)CC(=O)N[C@H](C)CO 240690a_100000737577_100011667805 [0,2,0,0,0,0|2,0,0]=4 4457 B11R0.110 CCN(C)CC(=O)C[C@@H](C)CO 1458a_100116209913_100000059175 [0,2,0,0,0,0|1,0,0]=3 4458 B11R0.110 CCN(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100116209913 [0,2,0,0,0,0|2,0,0]=4 4459 B11R0.110 CCN(C)CC(=O)N[C@H](C)CF 527a_100102880703_100116209913 [0,2,0,0,0,0|2,0,0]=4 4460 B11R0.110 CCN(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100116209913 [0,2,0,0,0,0|2,0,0]=4 4461 B11R0.110 CCN(C)CC(=O)N[C@H](C)CO 527a_100000737577_100116209913 [0,2,0,0,0,0|2,0,0]=4 4462 B11R0.110 CC[C@H](C)CC(=O)CC(=O)OC 1458a_100000211351_100009816398 [0,2,0,0,0,0|1,0,1]=4 4463 B11R0.110 CC[C@H](C)CC(=O)CN(C)CC 1458a_100116209913_100009816398 [0,2,0,0,0,0|1,0,0]=3 4464 B11R0.110 COC(=O)CC(=O)C[C@@H](C)CO 1458a_100000211351_100000059175 [0,2,0,0,0,0|1,0,1]=4 4465 B11R0.110 C[C@H](CF)NC(=O)N[C@H](C)CF 273464a_100102880703_100102880703 [0,2,0,0,0,0|2,0,0]=4 4466 B11R0.110 C[C@H](CF)NC(=O)N[C@H](C)CF 512a_100102880703_100102880703 [0,2,0,0,0,0|2,0,0]=4 4467 B11R0.110 C[C@H](CO)NC(=O)N[C@H](C)CF 273464a_100000737577_100102880703 [0,2,0,0,0,0|2,0,0]=4 4468 B11R0.110 C[C@H](CO)NC(=O)N[C@H](C)CF 512a_100000737577_100102880703 [0,2,0,0,0,0|2,0,0]=4 4469 B11R0.110 C[C@H](CO)NC(=O)N[C@H](C)CF 512a_100102880703_100000737577 [0,2,0,0,0,0|2,0,0]=4 4470 B11R0.110 C[C@H](CO)NC(=O)N[C@H](C)CO 512a_100000737577_100000737577 [0,2,0,0,0,0|2,0,0]=4 4471 B11R0.255 CC(C)CS(=O)(=O)N[C@H](C)CF 270084a_100102880703_100000748289 [0,2,0,0,0,0|2,0,0]=4 4472 B11R0.255 CC(C)CS(=O)(=O)N[C@H](C)CF 274078a_100102880703_100000748289 [0,2,0,0,0,0|2,0,0]=4 4473 B11R0.255 CC(C)CS(=O)(=O)N[C@H](C)CO 270084a_100000737577_100000748289 [0,2,0,0,0,0|2,0,0]=4 4474 B11R0.255 CC(C)CS(=O)(=O)N[C@H](C)CO 274078a_100000737577_100000748289 [0,2,0,0,0,0|2,0,0]=4 4475 B11R0.255 CCC(C)NS(=O)(=O)CC(C)C 270084a_100000209981_100000748289 [0,2,0,0,0,0|2,0,0]=4 4476 B11R0.255 CCC(C)NS(=O)(=O)CC(C)C 274078a_100000209981_100000748289 [0,2,0,0,0,0|2,0,0]=4 4477 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 11a_100000201412_100015343762 [0,2,0,0,0,0|1,0,0]=3 4478 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 1626a_100000201412_100015343762 [0,2,0,0,0,0|1,0,0]=3 4479 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 240690a_100000201412_100015343762 [0,2,0,0,0,0|1,0,0]=3 4480 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 527a_100000201412_100103153847 [0,2,0,0,0,0|1,0,0]=3 4481 B11R0.32 CC(C)CN(CC(C)C)C(C)C 2230a_100000201412_100000210206 [0,2,0,0,0,0|2,0,0]=4 4482 B11R0.32 CC(C)CN(CC(C)C)C(C)C 2230a_100000737641_100000210760 [0,2,0,0,0,0|2,0,0]=4 4483 B11R0.32 CC(C)CN(CC(C)C)C(C)C 269982a_100000201412_100000210206 [0,2,0,0,0,0|2,0,0]=4 4484 B11R0.32 CC(C)CN(CC(C)C)C(C)C 269982a_100000737641_100000210624 [0,2,0,0,0,0|2,0,0]=4 4485 B11R0.32 CC(C)CN(CC(C)C)C(C)C 270004a_100000737641_100000210432 [0,2,0,0,0,0|2,0,0]=4 4486 B11R0.32 CC(C)CN(CC(C)C)C(C)C 34a_100000201412_100000210206 [0,2,0,0,0,0|2,0,0]=4 4487 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 2230a_100016989234_100000210206 [0,2,0,0,0,0|1,0,1]=4 4488 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 34a_100016989234_100000210206 [0,2,0,0,0,0|1,0,1]=4 4489 B11R0.35 C#CCN(CC(C)C)CC(C)C 2230a_100000201412_100000038162 [0,2,0,0,0,0|2,0,0]=4 4490 B11R0.35 C#CCN(CC(C)C)CC(C)C 34a_100000201412_100000184674 [0,2,0,0,0,0|2,0,0]=4 4491 B11R0.35 C=CCN(CC(C)C)CC(C)C 2230a_100000201412_100000210623 [0,2,0,0,0,0|2,0,0]=4 4492 B11R0.35 C=CCN(CC(C)C)CC(C)C 269982a_100000201412_100000210623 [0,2,0,0,0,0|2,0,0]=4 4493 B11R0.35 C=CCN(CC(C)C)CC(C)C 34a_100000201412_100015514636 [0,2,0,0,0,0|2,0,0]=4 4494 B11R0.35 CC(C)CC(CC(C)C)OCF 34a_100011219621_100015361967 [0,2,0,0,0,0|0,0,2]=4 4495 B11R0.35 CC(C)CC(CC(C)C)OCF 7a_100011219621_100015361967 [0,2,0,0,0,0|0,0,2]=4 4496 B11R0.35 CC(C)CN(CC#N)CC(C)C 2230a_100000201412_100011215382 [0,2,0,0,0,0|2,0,0]=4 4497 B11R0.35 CC(C)CN(CC#N)CC(C)C 269982a_100000201412_100011214920 [0,2,0,0,0,0|2,0,0]=4 4498 B11R0.35 CC(C)CN(CC=O)CC(C)C 2230a_100000201412_200015260668 [0,2,0,0,0,0|1,0,0]=3 4499 B11R0.35 CC(C)CN(CC=O)CC(C)C 269982a_100000201412_200015260668 [0,2,0,0,0,0|1,0,0]=3 4500 B11R0.35 CC(C)CN(CC=O)CC(C)C 34a_100000201412_200009817547 [0,2,0,0,0,0|1,0,0]=3 4501 B11R0.35 CC(C)CN(CCF)CC(C)C 2230a_100000201412_100011217306 [0,2,0,0,0,0|2,0,0]=4 4502 B11R0.35 CC(C)CN(CCF)CC(C)C 269982a_100000201412_100011217306 [0,2,0,0,0,0|2,0,0]=4 4503 B11R0.35 CC(C)CN(CCF)CC(C)C 34a_100000201412_100011217306 [0,2,0,0,0,0|2,0,0]=4 4504 B11R0.35 CC(C)CN(CCO)CC(C)C 2230a_100000201412_100000211926 [0,2,0,0,0,0|1,0,1]=4 4505 B11R0.35 CC(C)CN(CCO)CC(C)C 2230a_100015185251_100000210760 [0,2,0,0,0,0|1,0,1]=4 4506 B11R0.35 CC(C)CN(CCO)CC(C)C 269982a_100000201412_100000211926 [0,2,0,0,0,0|1,0,1]=4 4507 B11R0.35 CC(C)CN(CCO)CC(C)C 269982a_100015185251_100000210624 [0,2,0,0,0,0|1,0,1]=4 4508 B11R0.35 CC(C)CN(CCO)CC(C)C 270004a_100015185251_100000210432 [0,2,0,0,0,0|1,0,1]=4 4509 B11R0.35 CC(C)CN(CCO)CC(C)C 34a_100000201412_100000211926 [0,2,0,0,0,0|1,0,1]=4 4510 B11R0.35 CCCN(CC(C)C)CC(C)C 2230a_100000201412_100000210303 [0,2,0,0,0,0|2,0,0]=4 4511 B11R0.35 CCCN(CC(C)C)CC(C)C 269982a_100000201412_100000210303 [0,2,0,0,0,0|2,0,0]=4 4512 B11R0.35 CCCN(CC(C)C)CC(C)C 34a_100000201412_100000210303 [0,2,0,0,0,0|2,0,0]=4 4513 B11R0.35 CCNC(CC(C)C)CC(C)C 2230a_100000751966_100000210202 [0,2,0,0,0,0|1,0,1]=4 4514 B11R0.35 CCOC(CC(C)C)CC(C)C 34a_100011219621_100000210202 [0,2,0,0,0,0|0,0,2]=4 4515 B11R0.35 CCOC(CC(C)C)CC(C)C 7a_100011219621_100000210202 [0,2,0,0,0,0|0,0,2]=4 4516 B11R0.35 COCN(CC(C)C)CC(C)C 2230a_100000201412_100000766300 [0,2,0,0,0,0|1,0,1]=4 4517 B11R0.35 COCN(CC(C)C)CC(C)C 269982a_100000201412_100000766300 [0,2,0,0,0,0|1,0,1]=4 4518 B11R0.35 CSCN(CC(C)C)CC(C)C 2230a_100000201412_100011218213 [0,2,0,0,0,0|1,1,0]=4 4519 B11R0.35 CSCN(CC(C)C)CC(C)C 269982a_100000201412_100011218213 [0,2,0,0,0,0|1,1,0]=4 4520 B11R0.35 CSCN(CC(C)C)CC(C)C 34a_100000201412_100011218213 [0,2,0,0,0,0|1,1,0]=4 4521 B11R0.210 CC(C)CC(C)(CC(C)C)O[13CH3] 7a_200011217148_200025704644 [0,2,0,0,0,0|0,0,2]=4 4522 B11R0.210 COC(C)(CC(C)C)CC(C)C 7a_200011217148_200000210301 [0,2,0,0,0,0|0,0,2]=4 4523 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 4524 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 4525 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 4526 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [1,0,0,1,0,0|2,0,0]=4 4527 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [1,0,0,1,0,0|2,0,0]=4 4528 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [1,0,0,1,0,0|2,0,0]=4 4529 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [1,0,0,1,0,0|2,0,0]=4 4530 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [1,0,0,1,0,0|2,0,0]=4 4531 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [1,0,0,1,0,0|2,0,0]=4 4532 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [1,0,0,1,0,0|2,0,0]=4 4533 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [1,0,0,1,0,0|2,0,0]=4 4534 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,0,0,1,0,0|2,0,0]=4 4535 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [1,0,0,1,0,0|2,0,0]=4 4536 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [1,0,0,1,0,0|2,0,0]=4 4537 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [1,0,0,1,0,0|2,0,0]=4 4538 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [1,0,0,1,0,0|2,0,0]=4 4539 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [1,0,0,1,0,0|2,0,0]=4 4540 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [1,0,0,1,0,0|2,0,0]=4 4541 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [1,0,0,1,0,0|2,0,0]=4 4542 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [1,0,0,1,0,0|2,0,0]=4 4543 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,1,0,0|1,0,1]=4 4544 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 4545 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 4546 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 4547 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 4548 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 4549 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 4550 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [1,0,0,1,0,0|1,0,0]=3 4551 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [1,0,0,1,0,0|1,0,0]=3 4552 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [1,0,0,1,0,0|2,0,0]=4 4553 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [1,0,0,1,0,0|2,0,0]=4 4554 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [1,0,0,1,0,0|2,0,0]=4 4555 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [1,0,0,1,0,0|2,0,0]=4 4556 B9R1.53 CC(C)CN1CC(C1)C 2230a_100000702820_100000210760 [1,0,0,1,0,0|2,0,0]=4 4557 B9R1.53 CC(C)CN1CC(C1)C 269982a_100000702820_100000210624 [1,0,0,1,0,0|2,0,0]=4 4558 B9R1.53 CC(C)CN1CC(C1)C 270004a_100000702820_100000210432 [1,0,0,1,0,0|2,0,0]=4 4559 B9R1.53 CC(C)CN1CC(C1)C 34a_100000702820_100000210624 [1,0,0,1,0,0|2,0,0]=4 4560 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [1,0,0,1,0,0|2,0,0]=4 4561 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [1,0,0,1,0,0|2,0,0]=4 4562 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [1,0,0,1,0,0|2,0,0]=4 4563 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [1,0,0,1,0,0|2,0,0]=4 4564 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [1,0,0,1,0,0|2,0,0]=4 4565 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [1,0,0,1,0,0|2,0,0]=4 4566 B9R1.75 C#CCC(=O)CC1CC1 1458a_100000738066_100000184674 [1,0,0,1,0,0|0,0,2]=4 4567 B9R1.75 C#CCC(=O)CC1CC1 1458a_100011220946_100000742324 [1,0,0,1,0,0|0,0,2]=4 4568 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [1,0,0,1,0,0|0,0,2]=4 4569 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [1,0,0,1,0,0|0,0,2]=4 4570 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [1,0,0,1,0,0|0,0,2]=4 4571 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [1,0,0,1,0,0|0,0,2]=4 4572 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|0,0,0]=2 4573 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|0,0,0]=2 4574 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [1,0,0,1,0,0|1,0,0]=3 4575 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [1,0,0,1,0,0|1,0,0]=3 4576 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [1,0,0,1,0,0|1,0,0]=3 4577 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [1,0,0,1,0,0|1,0,0]=3 4578 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [1,0,0,1,0,0|1,0,0]=3 4579 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [1,0,0,1,0,0|1,0,0]=3 4580 B9R1.75 CCCN(C)CC1CC1 2230a_100000210729_200000210301 [1,0,0,1,0,0|2,0,0]=4 4581 B9R1.75 CCCN(C)CC1CC1 2230a_100000741881_100000210303 [1,0,0,1,0,0|2,0,0]=4 4582 B9R1.75 CCCN(C)CC1CC1 2230a_100000747261_100000742324 [1,0,0,1,0,0|2,0,0]=4 4583 B9R1.75 CCCN(C)CC1CC1 269982a_100000210729_200000210301 [1,0,0,1,0,0|2,0,0]=4 4584 B9R1.75 CCCN(C)CC1CC1 269982a_100000741881_100000210303 [1,0,0,1,0,0|2,0,0]=4 4585 B9R1.75 CCCN(C)CC1CC1 269982a_100000747261_100000756562 [1,0,0,1,0,0|2,0,0]=4 4586 B9R1.75 CCCN(C)CC1CC1 34a_100000210729_200000210301 [1,0,0,1,0,0|2,0,0]=4 4587 B9R1.75 CCCN([13CH3])CC1CC1 2230a_100000210729_200025704644 [1,0,0,1,0,0|2,0,0]=4 4588 B9R1.75 CCCN([13CH3])CC1CC1 269982a_100000210729_200025704644 [1,0,0,1,0,0|2,0,0]=4 4589 B9R1.75 CCCN([13CH3])CC1CC1 34a_100000210729_200025704644 [1,0,0,1,0,0|2,0,0]=4 4590 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 4591 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 4592 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 4593 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 4594 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 4595 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 4596 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 4597 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 4598 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [1,0,0,1,0,0|2,0,0]=4 4599 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [1,0,0,1,0,0|2,0,0]=4 4600 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [1,0,0,1,0,0|2,0,0]=4 4601 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [1,0,0,1,0,0|2,0,0]=4 4602 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [1,0,0,1,0,0|2,0,0]=4 4603 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [1,0,0,1,0,0|1,0,0]=3 4604 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [1,0,0,1,0,0|2,0,0]=4 4605 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [1,0,0,1,0,0|2,0,0]=4 4606 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [1,0,0,1,0,0|2,0,0]=4 4607 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [1,0,0,1,0,0|2,0,0]=4 4608 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [1,0,0,1,0,0|2,0,0]=4 4609 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [1,0,0,1,0,0|2,0,0]=4 4610 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [1,0,0,1,0,0|2,0,0]=4 4611 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [1,0,0,1,0,0|1,0,0]=3 4612 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [1,0,0,1,0,0|2,0,0]=4 4613 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [1,0,0,1,0,0|2,0,0]=4 4614 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [1,0,0,1,0,0|2,0,0]=4 4615 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [1,0,0,1,0,0|2,0,0]=4 4616 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [1,0,0,1,0,0|2,0,0]=4 4617 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [1,0,0,1,0,0|2,0,0]=4 4618 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [1,0,0,1,0,0|2,0,0]=4 4619 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [1,0,0,1,0,0|2,0,0]=4 4620 B9R1.75 N#CCC(=O)CC1CC1 1458a_100000738066_100011214920 [1,0,0,1,0,0|1,0,1]=4 4621 B9R1.75 N#CCC(=O)CC1CC1 1458a_100051588842_100000742324 [1,0,0,1,0,0|1,0,1]=4 4622 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [1,0,0,1,0,0|1,0,0]=3 4623 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [1,0,0,1,0,0|1,0,0]=3 4624 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [1,0,0,1,0,0|1,0,0]=3 4625 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [1,0,0,1,0,0|2,0,0]=4 4626 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [1,0,0,1,0,0|2,0,0]=4 4627 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [1,0,0,1,0,0|2,0,0]=4 4628 B9R1.75 O=C(CCO)NC1CC1 240690a_100000212008_100011216618 [1,0,0,1,0,0|2,0,0]=4 4629 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [1,0,0,1,0,0|2,0,0]=4 4630 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [1,0,0,1,0,0|2,0,0]=4 4631 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [1,0,0,1,0,0|2,0,0]=4 4632 B9R1.136 CCCN1CC(C1)(C)C 2230a_100000753659_100000210303 [1,0,0,1,0,0|2,0,0]=4 4633 B9R1.136 CCCN1CC(C1)(C)C 269982a_100000753659_100000210303 [1,0,0,1,0,0|2,0,0]=4 4634 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [1,0,0,1,0,0|0,0,2]=4 4635 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [1,0,0,1,0,0|1,0,1]=4 4636 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [1,0,0,1,0,0|0,0,0]=2 4637 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [1,0,0,1,0,0|1,0,0]=3 4638 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000226674_100000210760 [1,0,0,1,0,0|2,0,0]=4 4639 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000737031_200000210301 [1,0,0,1,0,0|2,0,0]=4 4640 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000226674_100000210624 [1,0,0,1,0,0|2,0,0]=4 4641 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000737031_200000210301 [1,0,0,1,0,0|2,0,0]=4 4642 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000747067_100000211595 [1,0,0,1,0,0|2,0,0]=4 4643 B9R1.137 CC(C)CN(C)C1CC1 270004a_100000226674_100000210432 [1,0,0,1,0,0|2,0,0]=4 4644 B9R1.137 CC(C)CN(C)C1CC1 34a_100000737031_200000210301 [1,0,0,1,0,0|2,0,0]=4 4645 B9R1.137 CC(C)CN([13CH3])C1CC1 2230a_100000737031_200025704644 [1,0,0,1,0,0|2,0,0]=4 4646 B9R1.137 CC(C)CN([13CH3])C1CC1 269982a_100000737031_200025704644 [1,0,0,1,0,0|2,0,0]=4 4647 B9R1.137 CC(C)CN([13CH3])C1CC1 34a_100000737031_200025704644 [1,0,0,1,0,0|2,0,0]=4 4648 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [1,0,0,1,0,0|1,0,0]=3 4649 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [1,0,0,1,0,0|1,0,0]=3 4650 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [1,0,0,1,0,0|1,0,0]=3 4651 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [1,0,0,1,0,0|1,0,0]=3 4652 B9R1.137 CC(C)NC(=O)C1CO1 11a_100138425928_100000701028 [1,0,0,1,0,0|2,0,0]=4 4653 B9R1.137 CC(C)NC(=O)C1CO1 1626a_100138425928_100000701028 [1,0,0,1,0,0|2,0,0]=4 4654 B9R1.137 CC(C)NC(=O)C1CO1 240690a_100138425928_100000701028 [1,0,0,1,0,0|2,0,0]=4 4655 B9R1.137 CC(C)NC(=O)C1CO1 527a_100138425928_100000701028 [1,0,0,1,0,0|2,0,0]=4 4656 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [1,0,0,1,0,0|1,0,0]=3 4657 B9R1.137 CC(O)CC(=O)C1CO1 1458a_100000701028_100011218427 [1,0,0,1,0,0|2,0,0]=4 4658 B9R1.137 CN(C)CC(=O)C1CC1 2230a_100102631434_100000746382 [1,0,0,1,0,0|1,0,0]=3 4659 B9R1.137 CN(C)CC(=O)C1CC1 269982a_100102631434_100000746382 [1,0,0,1,0,0|1,0,0]=3 4660 B9R1.137 O=C(CC(F)F)C1CC1 1458a_100000210395_100011934356 [1,0,0,1,0,0|2,0,0]=4 4661 B9R1.183 C#CCC(=O)C1CC1C 1458a_100000211227_100000184674 [1,0,0,1,0,0|0,0,2]=4 4662 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [1,0,0,1,0,0|0,0,2]=4 4663 B9R1.183 CC1CC1C(=O)CC#N 1458a_100000211227_100011214920 [1,0,0,1,0,0|1,0,1]=4 4664 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [1,0,0,1,0,0|1,0,0]=3 4665 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [1,0,0,1,0,0|1,0,0]=3 4666 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|0,0,0]=2 4667 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|1,0,0]=3 4668 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 4669 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 4670 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 4671 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 4672 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 4673 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [1,0,0,1,0,0|2,0,0]=4 4674 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [1,0,0,1,0,0|2,0,0]=4 4675 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [1,0,0,1,0,0|2,0,0]=4 4676 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [1,0,0,1,0,0|1,0,1]=4 4677 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [1,0,0,1,0,0|1,0,1]=4 4678 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [1,0,0,1,0,0|1,0,1]=4 4679 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [1,0,0,1,0,0|1,0,1]=4 4680 B9R1.46 CC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210760 [1,0,0,1,0,0|2,0,0]=4 4681 B9R1.46 CC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000210760 [1,0,0,1,0,0|2,0,0]=4 4682 B9R1.46 CC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000210624 [1,0,0,1,0,0|2,0,0]=4 4683 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [1,0,0,1,0,0|1,0,1]=4 4684 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [1,0,0,1,0,0|1,0,1]=4 4685 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [1,0,0,1,0,0|1,0,1]=4 4686 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [1,0,0,1,0,0|1,0,1]=4 4687 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [1,0,0,1,0,0|1,0,1]=4 4688 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [1,0,0,1,0,0|1,0,1]=4 4689 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [1,0,0,1,0,0|1,0,1]=4 4690 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [1,0,0,1,0,0|1,0,1]=4 4691 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [1,0,0,1,0,0|2,0,0]=4 4692 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [1,0,0,1,0,0|1,0,1]=4 4693 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [1,0,0,1,0,0|1,0,1]=4 4694 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [1,0,0,1,0,0|1,0,1]=4 4695 B9R1.85 CC(C)CNCC1CC1 2230a_100000210953_100000742324 [1,0,0,1,0,0|1,0,0]=3 4696 B9R1.85 CC(C)CNCC1CC1 2230a_100000735609_100000210760 [1,0,0,1,0,0|1,0,0]=3 4697 B9R1.85 CC(C)CNCC1CC1 269862a_100000210953_100000741477 [1,0,0,1,0,0|1,0,0]=3 4698 B9R1.85 CC(C)CNCC1CC1 270004a_100000735609_100000210432 [1,0,0,1,0,0|1,0,0]=3 4699 B9R1.85 CC(C)CNCC1CC1 34a_100000210953_100000742324 [1,0,0,1,0,0|1,0,0]=3 4700 B9R1.85 CC(C)CNCC1CC1 34a_100000735609_100000210624 [1,0,0,1,0,0|1,0,0]=3 4701 B9R1.85 CC(C)CNCC1CO1 2230a_100000210953_100011216344 [1,0,0,1,0,0|2,0,0]=4 4702 B9R1.85 CC(C)CNCC1CO1 34a_100000210953_102125554688 [1,0,0,1,0,0|2,0,0]=4 4703 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [1,0,0,1,0,0|1,0,0]=3 4704 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [1,0,0,1,0,0|1,0,0]=3 4705 B9R1.85 CC(C)COCC1CO1 34a_100000210257_102125554688 [1,0,0,1,0,0|2,0,0]=4 4706 B9R1.85 CC(C)COC[C@@H]1CO1 34a_100000757423_100000210624 [1,0,0,1,0,0|2,0,0]=4 4707 B9R1.85 CC(C)CSCC1CC1 62a_100000210624_100000742324 [1,0,0,1,0,0|1,0,0]=3 4708 B9R1.85 CC(C)CSCC1CC1 62a_100000756562_100000210760 [1,0,0,1,0,0|1,0,0]=3 4709 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [1,0,0,1,0,0|2,0,0]=4 4710 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [1,0,0,1,0,0|2,0,0]=4 4711 B9R1.85 CC(C)CSCC1CS1 62a_100000031435_100000210760 [1,0,0,1,0,0|2,0,0]=4 4712 B9R1.85 CC(C)CSCC1CS1 62a_100000210624_100000031435 [1,0,0,1,0,0|2,0,0]=4 4713 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [1,0,0,1,0,0|2,0,0]=4 4714 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [1,0,0,1,0,0|2,0,0]=4 4715 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [1,0,0,1,0,0|1,0,1]=4 4716 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [1,0,0,1,0,0|1,0,1]=4 4717 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [1,0,0,1,0,0|1,0,1]=4 4718 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [1,0,0,1,0,0|1,0,1]=4 4719 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [1,0,0,1,0,0|1,0,1]=4 4720 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [1,0,0,1,0,0|1,0,1]=4 4721 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [1,0,0,1,0,0|1,0,1]=4 4722 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [1,0,0,1,0,0|1,0,1]=4 4723 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [1,0,0,1,0,0|2,0,0]=4 4724 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [1,0,0,1,0,0|2,0,0]=4 4725 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [1,0,0,1,0,0|2,0,0]=4 4726 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [1,0,0,1,0,0|2,0,0]=4 4727 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [1,0,0,1,0,0|2,0,0]=4 4728 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [1,0,0,1,0,0|2,0,0]=4 4729 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [1,0,0,1,0,0|2,0,0]=4 4730 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [1,0,0,1,0,0|2,0,0]=4 4731 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [1,0,0,1,0,0|2,0,0]=4 4732 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [1,0,0,1,0,0|2,0,0]=4 4733 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [1,0,0,1,0,0|2,0,0]=4 4734 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [1,0,0,1,0,0|2,0,0]=4 4735 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [1,0,0,1,0,0|2,0,0]=4 4736 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [1,0,0,1,0,0|2,0,0]=4 4737 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [1,0,0,1,0,0|2,0,0]=4 4738 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [1,0,0,1,0,0|2,0,0]=4 4739 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,0,0,1,1,0|0,0,0]=2 4740 B9R1.45 CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210206 [0,0,0,1,1,0|1,0,0]=3 4741 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,0,0,1,1,0|1,0,0]=3 4742 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,0,0,1,1,0|1,0,0]=3 4743 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,0,0,1,1,0|1,0,0]=3 4744 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100102631434_100015396687 [0,0,0,1,1,0|2,0,0]=4 4745 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100102631434_100015396687 [0,0,0,1,1,0|2,0,0]=4 4746 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100102631434_100015396687 [0,0,0,1,1,0|2,0,0]=4 4747 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [0,0,0,1,1,0|2,0,0]=4 4748 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [0,0,0,1,1,0|2,0,0]=4 4749 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,0,0,1,1,0|2,0,0]=4 4750 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,0,0,1,1,0|2,0,0]=4 4751 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,0,0,1,1,0|2,0,0]=4 4752 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,0,0,1,1,0|2,0,0]=4 4753 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,0,0,1,1,0|0,0,2]=4 4754 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,0,0,1,1,0|0,0,0]=2 4755 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,0,0,1,1,0|0,0,0]=2 4756 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,0,0,1,1,0|1,0,0]=3 4757 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,0,0,1,1,0|1,0,0]=3 4758 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,0,0,1,1,0|1,0,0]=3 4759 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [0,0,0,1,1,0|1,0,0]=3 4760 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [0,0,0,1,1,0|1,0,0]=3 4761 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [0,0,0,1,1,0|1,0,0]=3 4762 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000738798_200000210301 [0,0,0,1,1,0|2,0,0]=4 4763 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000741881_100000210206 [0,0,0,1,1,0|2,0,0]=4 4764 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000738798_200000210301 [0,0,0,1,1,0|2,0,0]=4 4765 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000741881_100000210206 [0,0,0,1,1,0|2,0,0]=4 4766 B9R1.112 CC(C)N(C)CC1CC1 269982a_200000211004_100000756562 [0,0,0,1,1,0|2,0,0]=4 4767 B9R1.112 CC(C)N(C)CC1CC1 34a_100000738798_200000210301 [0,0,0,1,1,0|2,0,0]=4 4768 B9R1.112 CC(C)N([13CH3])CC1CC1 2230a_100000738798_200025704644 [0,0,0,1,1,0|2,0,0]=4 4769 B9R1.112 CC(C)N([13CH3])CC1CC1 269982a_100000738798_200025704644 [0,0,0,1,1,0|2,0,0]=4 4770 B9R1.112 CC(C)N([13CH3])CC1CC1 34a_100000738798_200025704644 [0,0,0,1,1,0|2,0,0]=4 4771 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,0,0,1,1,0|1,0,0]=3 4772 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,0,0,1,1,0|2,0,0]=4 4773 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,0,0,1,1,0|2,0,0]=4 4774 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,0,0,1,1,0|2,0,0]=4 4775 B9R1.112 CC(F)C(=O)NC1CC1 1626a_100000212008_100000062450 [0,0,0,1,1,0|2,0,0]=4 4776 B9R1.112 CC(F)C(=O)NC1CC1 240690a_100000212008_100000062450 [0,0,0,1,1,0|2,0,0]=4 4777 B9R1.112 CC(F)C(=O)NC1CC1 527a_100000212008_100000062450 [0,0,0,1,1,0|2,0,0]=4 4778 B9R1.112 CN(C)C(=O)CC1CC1 11a_100102631434_100000738066 [0,0,0,1,1,0|1,0,0]=3 4779 B9R1.112 CN(C)C(=O)CC1CC1 1626a_100102631434_100000738066 [0,0,0,1,1,0|1,0,0]=3 4780 B9R1.112 CN(C)C(=O)CC1CC1 240690a_100102631434_100000738066 [0,0,0,1,1,0|1,0,0]=3 4781 B9R1.112 CN(C)C(=O)CC1CC1 527a_100102631434_100000738066 [0,0,0,1,1,0|1,0,0]=3 4782 B9R1.112 CN(C)C(=O)NC1CC1 2708a_100000212008_100102631434 [0,0,0,1,1,0|2,0,0]=4 4783 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,0,0,1,1,0|1,0,0]=3 4784 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,0,0,1,1,0|2,0,0]=4 4785 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,0,0,1,1,0|2,0,0]=4 4786 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,0,0,1,1,0|2,0,0]=4 4787 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,0,0,1,1,0|2,0,0]=4 4788 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,0,0,1,1,0|1,0,0]=3 4789 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,0,0,1,1,0|2,0,0]=4 4790 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,0,0,1,1,0|2,0,0]=4 4791 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,0,0,1,1,0|2,0,0]=4 4792 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,0,0,1,1,0|2,0,0]=4 4793 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,0,0,1,1,0|2,0,0]=4 4794 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,0,0,1,1,0|2,0,0]=4 4795 B9R1.164 CC(C)N1CC(C1)(C)C 2230a_100000753659_100000210206 [0,0,0,1,1,0|2,0,0]=4 4796 B9R1.164 CC(C)N1CC(C1)(C)C 269982a_100000753659_100000210206 [0,0,0,1,1,0|2,0,0]=4 4797 B11R1.20 CC(C)CN1CCC(CC1)C 2230a_100000188429_100000210760 [0,0,0,1,0,1|2,0,0]=4 4798 B11R1.20 CC(C)CN1CCC(CC1)C 269982a_100000188429_100000210624 [0,0,0,1,0,1|2,0,0]=4 4799 B11R1.20 CC(C)CN1CCC(CC1)C 270004a_100000188429_100000210432 [0,0,0,1,0,1|2,0,0]=4 4800 B11R1.20 CC(C)CN1CCC(CC1)C 34a_100000188429_100000210624 [0,0,0,1,0,1|2,0,0]=4 4801 B11R1.74 CC1CC(CN(C1)C(C)C)C 2230a_100000210448_100000210206 [0,0,0,1,0,1|1,0,1]=4 4802 B11R1.74 CC1CC(CN(C1)C(C)C)C 269982a_100000210448_100000210206 [0,0,0,1,0,1|1,0,1]=4 4803 B11R1.74 CC1CC(CN(C1)C(C)C)C 34a_100000210448_100000210206 [0,0,0,1,0,1|1,0,1]=4 4804 B11R1.75 CC(C)CCN1CC[C@H](C1)C 2230a_100016987628_100000210312 [0,0,0,1,0,1|2,0,0]=4 4805 B11R1.75 CC(C)CCN1CC[C@H](C1)C 269982a_100016987628_100000210312 [0,0,0,1,0,1|2,0,0]=4 4806 B11R1.75 CC(C)CCN1CC[C@H](C1)C 34a_100016987628_100000210312 [0,0,0,1,0,1|2,0,0]=4 4807 B11R1.75 CC(C)CNC1CCC(C1)C 270004a_100000210953_100011215218 [0,0,0,1,0,1|1,0,1]=4 4808 B11R1.75 CC(C)COC1CCC(C1)C 34a_100000698185_100000210624 [0,0,0,1,0,1|1,0,1]=4 4809 B11R1.75 CC(C)OCN1CC[C@H](C1)C 2230a_100016987628_100000709892 [0,0,0,1,0,1|2,0,0]=4 4810 B11R1.75 CC(C)OCN1CC[C@H](C1)C 269982a_100016987628_100000709892 [0,0,0,1,0,1|2,0,0]=4 4811 B11R1.75 CC(C)OCN1CC[C@H](C1)C 34a_100016987628_100000709892 [0,0,0,1,0,1|2,0,0]=4 4812 B11R1.75 CC1CCC(=NNC(C)C)C1 4a_100000741168_100011215218 [0,0,0,1,0,1|2,0,0]=4 4813 B11R1.103 C=C(C)CCC(=O)C1CC1C 1458a_100000211227_100000730704 [0,0,0,1,0,1|0,0,2]=4 4814 B11R1.103 C=C(C)CNC(=O)C1CC1C 11a_100000765925_100000211227 [0,0,0,1,0,1|0,0,2]=4 4815 B11R1.103 C=C(C)CNC(=O)C1CC1C 1626a_100000765925_100000211227 [0,0,0,1,0,1|0,0,2]=4 4816 B11R1.103 C=C(C)CNC(=O)C1CC1C 527a_100000765925_100000211227 [0,0,0,1,0,1|0,0,2]=4 4817 B11R1.103 CC(=CCC(=O)C1CC1C)C 1458a_100000211227_100000761012 [0,0,0,1,0,1|0,0,1]=3 4818 B11R1.103 CC(=CCC(=O)[C@@H]1C[C@@H]1F)C 1458a_100015396687_100000761012 [0,0,0,1,0,1|1,0,1]=4 4819 B11R1.103 CC(C)CCC(=O)C1CC1C 1458a_100000211227_100000210312 [0,0,0,1,0,1|0,0,0]=2 4820 B11R1.103 CC(C)CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210312 [0,0,0,1,0,1|1,0,0]=3 4821 B11R1.103 CC(C)CNC(=O)C1CC1C 11a_100000210953_100000211227 [0,0,0,1,0,1|0,0,0]=2 4822 B11R1.103 CC(C)CNC(=O)C1CC1C 1626a_100000210953_100000211227 [0,0,0,1,0,1|0,0,0]=2 4823 B11R1.103 CC(C)CNC(=O)C1CC1C 527a_100000210953_100000211227 [0,0,0,1,0,1|0,0,0]=2 4824 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@@H]1F 11a_100000210953_100015396687 [0,0,0,1,0,1|1,0,0]=3 4825 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210953_100015396687 [0,0,0,1,0,1|1,0,0]=3 4826 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@@H]1F 527a_100000210953_100015396687 [0,0,0,1,0,1|1,0,0]=3 4827 B11R1.103 CC(C)NNC(=O)C1CC1C 22a_100000741168_100000211227 [0,0,0,1,0,1|1,0,0]=3 4828 B11R1.103 CC(C)NNC(=O)[C@@H]1C[C@@H]1F 22a_100000741168_100015396687 [0,0,0,1,0,1|2,0,0]=4 4829 B11R1.103 CC(O)CCC(=O)C1CC1C 1458a_100000211227_100012276601 [0,0,0,1,0,1|1,0,0]=3 4830 B11R1.103 CC(O)CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100012276601 [0,0,0,1,0,1|2,0,0]=4 4831 B11R1.103 CC(O)CNC(=O)C1CC1C 11a_100000210904_100000211227 [0,0,0,1,0,1|1,0,0]=3 4832 B11R1.103 CC(O)CNC(=O)C1CC1C 527a_100000210904_100000211227 [0,0,0,1,0,1|1,0,0]=3 4833 B11R1.103 CC(O)CNC(=O)[C@@H]1C[C@@H]1F 11a_100000210904_100015396687 [0,0,0,1,0,1|2,0,0]=4 4834 B11R1.103 CC(O)CNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210904_100015396687 [0,0,0,1,0,1|2,0,0]=4 4835 B11R1.103 CC(O)CNC(=O)[C@@H]1C[C@@H]1F 527a_100000210904_100015396687 [0,0,0,1,0,1|2,0,0]=4 4836 B11R1.103 CC1CC1C(=O)NCC(F)F 11a_100000765723_100000211227 [0,0,0,1,0,1|2,0,0]=4 4837 B11R1.103 CC1CC1C(=O)NCC(F)F 1626a_100000765723_100000211227 [0,0,0,1,0,1|2,0,0]=4 4838 B11R1.103 CC1CC1C(=O)NCC(F)F 527a_100000765723_100000211227 [0,0,0,1,0,1|2,0,0]=4 4839 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210554 [0,0,0,1,0,1|1,0,0]=3 4840 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210554 [0,0,0,1,0,1|1,0,0]=3 4841 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210554 [0,0,0,1,0,1|1,0,0]=3 4842 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210554 [0,0,0,1,0,1|1,0,0]=3 4843 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210554 [0,0,0,1,0,1|1,0,0]=3 4844 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210554 [0,0,0,1,0,1|1,0,0]=3 4845 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@@H]1F 2708a_100138425928_100015190264 [0,0,0,1,0,1|2,0,0]=4 4846 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@@H]1F 273464a_100138425928_100015190264 [0,0,0,1,0,1|2,0,0]=4 4847 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@@H]1F 512a_100138425928_100015190264 [0,0,0,1,0,1|2,0,0]=4 4848 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@H]1F 2708a_100138425928_100025746932 [0,0,0,1,0,1|2,0,0]=4 4849 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@H]1F 273464a_100138425928_100025746932 [0,0,0,1,0,1|2,0,0]=4 4850 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100138425928 [0,0,0,1,0,1|2,0,0]=4 4851 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@H]1F 512a_100138425928_100025746932 [0,0,0,1,0,1|2,0,0]=4 4852 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000750896 [0,0,0,1,0,1|2,0,0]=4 4853 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000750896 [0,0,0,1,0,1|2,0,0]=4 4854 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000750896 [0,0,0,1,0,1|2,0,0]=4 4855 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000750896 [0,0,0,1,0,1|2,0,0]=4 4856 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000750896 [0,0,0,1,0,1|2,0,0]=4 4857 B11R1.106 C[C@@H](O)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011933948 [0,0,0,1,0,1|2,0,0]=4 4858 B11R1.106 C[C@@H](O)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011933948 [0,0,0,1,0,1|2,0,0]=4 4859 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_200159257847 [0,0,0,1,0,1|2,0,0]=4 4860 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_200159257847 [0,0,0,1,0,1|2,0,0]=4 4861 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_200159257847 [0,0,0,1,0,1|2,0,0]=4 4862 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_200159257847 [0,0,0,1,0,1|2,0,0]=4 4863 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_200159257847 [0,0,0,1,0,1|2,0,0]=4 4864 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_200159257847 [0,0,0,1,0,1|2,0,0]=4 4865 B11R1.152 C=C(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000748629 [0,0,0,1,0,1|0,0,2]=4 4866 B11R1.152 C=C1CC(C1)C(=O)CC(C)C 1458a_100000065620_100000210624 [0,0,0,1,0,1|0,0,2]=4 4867 B11R1.152 CC(=CC(=O)N1CC(C1)C)C 11a_100000702820_100000211388 [0,0,0,1,0,1|0,0,2]=4 4868 B11R1.152 CC(=CC(=O)N1CC(C1)C)C 240690a_100000702820_100000211388 [0,0,0,1,0,1|0,0,2]=4 4869 B11R1.152 CC(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000210624 [0,0,0,1,0,1|0,0,0]=2 4870 B11R1.152 CC(C)CC(=O)C1CC(C1)F 1458a_100000062598_100000210624 [0,0,0,1,0,1|1,0,0]=3 4871 B11R1.152 CC(C)CC(=O)C1CN(C1)C 1458a_100012002723_100000210624 [0,0,0,1,0,1|1,0,0]=3 4872 B11R1.152 CC(C)CC(=O)N1CC(C1)C 11a_100000702820_100000210554 [0,0,0,1,0,1|0,0,0]=2 4873 B11R1.152 CC(C)CC(=O)N1CC(C1)C 240690a_100000702820_100000210554 [0,0,0,1,0,1|0,0,0]=2 4874 B11R1.152 CC(C)CC(=O)N1CC(C1)C 527a_100000702820_100000210554 [0,0,0,1,0,1|0,0,0]=2 4875 B11R1.152 CC(C)CC(=O)N1CC(C1)F 11a_100000690557_100000210554 [0,0,0,1,0,1|1,0,0]=3 4876 B11R1.152 CC(C)CC(=O)N1CC(C1)F 240690a_100000690557_100000210554 [0,0,0,1,0,1|1,0,0]=3 4877 B11R1.152 CC(C)CC(=O)N1CC(C1)F 527a_100000690557_100000210554 [0,0,0,1,0,1|1,0,0]=3 4878 B11R1.152 CC(C)CC(=O)N1CC(C1)O 11a_100000749847_100000210554 [0,0,0,1,0,1|1,0,0]=3 4879 B11R1.152 CC(C)CC(=O)N1CC(C1)O 240690a_100000749847_100000210554 [0,0,0,1,0,1|1,0,0]=3 4880 B11R1.152 CC(C)CC(=O)N1CC(C1)O 527a_100000749847_100000210554 [0,0,0,1,0,1|1,0,0]=3 4881 B11R1.152 CC(C)CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210624 [0,0,0,1,0,1|1,0,1]=4 4882 B11R1.152 CC(C)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210624 [0,0,0,1,0,1|1,0,0]=3 4883 B11R1.152 CC(C)CC(C)N1CC(C1)C 2230a_100000702820_100000731052 [0,0,0,1,0,1|1,0,1]=4 4884 B11R1.152 CC(C)CC(C)N1CC(C1)C 269982a_100000702820_100000731052 [0,0,0,1,0,1|1,0,1]=4 4885 B11R1.152 CC(C)CC(C)N1CC(C1)C 34a_100000702820_100000731052 [0,0,0,1,0,1|1,0,1]=4 4886 B11R1.152 CC(C)NC(=O)C1CC(C1)F 11a_100138425928_100000062598 [0,0,0,1,0,1|2,0,0]=4 4887 B11R1.152 CC(C)NC(=O)C1CC(C1)F 1626a_100138425928_100000062598 [0,0,0,1,0,1|2,0,0]=4 4888 B11R1.152 CC(C)NC(=O)C1CC(C1)F 240690a_100138425928_100000062598 [0,0,0,1,0,1|2,0,0]=4 4889 B11R1.152 CC(C)NC(=O)C1CC(C1)F 527a_100138425928_100000062598 [0,0,0,1,0,1|2,0,0]=4 4890 B11R1.152 CC(C)NC(=O)C1CN(C1)C 240690a_100138425928_100012002723 [0,0,0,1,0,1|2,0,0]=4 4891 B11R1.152 CC(C)NC(=O)N1CC(C1)F 2708a_100138425928_100000690557 [0,0,0,1,0,1|2,0,0]=4 4892 B11R1.152 CC(C)NC(=O)N1CC(C1)F 273464a_100138425928_100000690557 [0,0,0,1,0,1|2,0,0]=4 4893 B11R1.152 CC(C)NC(=O)N1CC(C1)O 2708a_100138425928_100000749847 [0,0,0,1,0,1|2,0,0]=4 4894 B11R1.152 CC(C)NC(=O)N1CC(C1)O 273464a_100138425928_100000749847 [0,0,0,1,0,1|2,0,0]=4 4895 B11R1.152 CC(C)NC(=O)[C@H]1C[C@H](C1)O 240690a_100138425928_100015266633 [0,0,0,1,0,1|2,0,0]=4 4896 B11R1.152 CC(C)NC(=O)[C@H]1C[C@H](C1)O 527a_100138425928_100015266633 [0,0,0,1,0,1|2,0,0]=4 4897 B11R1.152 CC(O)CC(=O)C1CC(C1)C 1458a_100000686124_100011218427 [0,0,0,1,0,1|1,0,0]=3 4898 B11R1.152 CC(O)CC(=O)C1CC(C1)F 1458a_100000062598_100011218427 [0,0,0,1,0,1|2,0,0]=4 4899 B11R1.152 CC(O)CC(=O)C1CN(C1)C 1458a_100012002723_100011218427 [0,0,0,1,0,1|2,0,0]=4 4900 B11R1.152 CC(O)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100011218427 [0,0,0,1,0,1|2,0,0]=4 4901 B11R1.152 CC1CC(C1)C(=O)CC(F)F 1458a_100000686124_100011934356 [0,0,0,1,0,1|2,0,0]=4 4902 B11R1.152 CC1CC(C1)C(=O)NC(C)C 11a_100138425928_100000686124 [0,0,0,1,0,1|1,0,0]=3 4903 B11R1.152 CC1CC(C1)C(=O)NC(C)C 1626a_100138425928_100000686124 [0,0,0,1,0,1|1,0,0]=3 4904 B11R1.152 CC1CC(C1)C(=O)NC(C)C 240690a_100138425928_100000686124 [0,0,0,1,0,1|1,0,0]=3 4905 B11R1.152 CC1CC(C1)C(=O)NC(C)C 527a_100138425928_100000686124 [0,0,0,1,0,1|1,0,0]=3 4906 B11R1.152 CC1CN(C1)C(=O)CN(C)C 11a_100000702820_100000750896 [0,0,0,1,0,1|1,0,0]=3 4907 B11R1.152 CC1CN(C1)C(=O)CN(C)C 240690a_100000702820_100000750896 [0,0,0,1,0,1|1,0,0]=3 4908 B11R1.152 CC1CN(C1)C(=O)CN(C)C 527a_100000702820_100000750896 [0,0,0,1,0,1|1,0,0]=3 4909 B11R1.152 CC1CN(C1)C(=O)C[C@@H](C)O 240690a_100000702820_100011933948 [0,0,0,1,0,1|1,0,0]=3 4910 B11R1.152 CC1CN(C1)C(=O)C[S+](C)C 11a_100000702820_200159257847 [0,0,0,1,0,1|1,0,0]=3 4911 B11R1.152 CC1CN(C1)C(=O)C[S+](C)C 240690a_100000702820_200159257847 [0,0,0,1,0,1|1,0,0]=3 4912 B11R1.152 CC1CN(C1)C(=O)C[S+](C)C 527a_100000702820_200159257847 [0,0,0,1,0,1|1,0,0]=3 4913 B11R1.152 CC1CN(C1)C(=O)NC(C)C 2708a_100138425928_100000702820 [0,0,0,1,0,1|1,0,0]=3 4914 B11R1.152 CC1CN(C1)C(=O)NC(C)C 273464a_100138425928_100000702820 [0,0,0,1,0,1|1,0,0]=3 4915 B11R1.152 CN(C)CC(=O)N1CC(C1)F 11a_100000690557_100000750896 [0,0,0,1,0,1|2,0,0]=4 4916 B11R1.152 CN(C)CC(=O)N1CC(C1)F 240690a_100000690557_100000750896 [0,0,0,1,0,1|2,0,0]=4 4917 B11R1.152 CN(C)CC(=O)N1CC(C1)F 527a_100000690557_100000750896 [0,0,0,1,0,1|2,0,0]=4 4918 B11R1.152 CN(C)CC(=O)N1CC(C1)O 11a_100000749847_100000750896 [0,0,0,1,0,1|2,0,0]=4 4919 B11R1.152 CN(C)CC(=O)N1CC(C1)O 2230a_100102631434_100013143841 [0,0,0,1,0,1|2,0,0]=4 4920 B11R1.152 CN(C)CC(=O)N1CC(C1)O 240690a_100000749847_100000750896 [0,0,0,1,0,1|2,0,0]=4 4921 B11R1.152 CN(C)CC(=O)N1CC(C1)O 269982a_100102631434_100013143841 [0,0,0,1,0,1|2,0,0]=4 4922 B11R1.152 CN(C)CC(=O)N1CC(C1)O 527a_100000749847_100000750896 [0,0,0,1,0,1|2,0,0]=4 4923 B11R1.152 C[C@@H](O)CC(=O)N1CC(C1)F 240690a_100000690557_100011933948 [0,0,0,1,0,1|2,0,0]=4 4924 B11R1.152 C[C@@H](O)CC(=O)N1CC(C1)O 240690a_100000749847_100011933948 [0,0,0,1,0,1|2,0,0]=4 4925 B11R1.152 C[S+](C)CC(=O)N1CC(C1)F 11a_100000690557_200159257847 [0,0,0,1,0,1|2,0,0]=4 4926 B11R1.152 C[S+](C)CC(=O)N1CC(C1)F 240690a_100000690557_200159257847 [0,0,0,1,0,1|2,0,0]=4 4927 B11R1.152 C[S+](C)CC(=O)N1CC(C1)F 527a_100000690557_200159257847 [0,0,0,1,0,1|2,0,0]=4 4928 B11R1.152 C[S+](C)CC(=O)N1CC(C1)O 11a_100000749847_200159257847 [0,0,0,1,0,1|2,0,0]=4 4929 B11R1.152 C[S+](C)CC(=O)N1CC(C1)O 240690a_100000749847_200159257847 [0,0,0,1,0,1|2,0,0]=4 4930 B11R1.152 C[S+](C)CC(=O)N1CC(C1)O 527a_100000749847_200159257847 [0,0,0,1,0,1|2,0,0]=4 4931 B11R1.348 C=C(C)CCC(=O)CC1CC1 1458a_100000738066_100000730704 [0,0,0,1,0,1|0,0,2]=4 4932 B11R1.348 C=C(C)CCC(=O)CC1CC1 1458a_200000688413_100000742324 [0,0,0,1,0,1|0,0,2]=4 4933 B11R1.348 C=C(C)CNC(=O)CC1CC1 11a_100000765925_100000738066 [0,0,0,1,0,1|0,0,2]=4 4934 B11R1.348 C=C(C)CNC(=O)CC1CC1 1626a_100000765925_100000738066 [0,0,0,1,0,1|0,0,2]=4 4935 B11R1.348 C=C(C)CNC(=O)CC1CC1 240690a_100000765925_100000738066 [0,0,0,1,0,1|0,0,2]=4 4936 B11R1.348 C=C(C)CNC(=O)CC1CC1 527a_100000765925_100000738066 [0,0,0,1,0,1|0,0,2]=4 4937 B11R1.348 CC(=CCC(=O)CC1CC1)C 1458a_100000738066_100000761012 [0,0,0,1,0,1|0,0,1]=3 4938 B11R1.348 CC(=CCC(=O)CC1CC1)C 1458a_100011220947_100000742324 [0,0,0,1,0,1|0,0,1]=3 4939 B11R1.348 CC(=CCC(=O)CC1CO1)C 1458a_100011220947_100011216344 [0,0,0,1,0,1|1,0,1]=4 4940 B11R1.348 CC(=CCC(=O)CC1CS1)C 1458a_100011220947_100000031435 [0,0,0,1,0,1|1,0,1]=4 4941 B11R1.348 CC(=CCC(=O)C[C@@H]1CO1)C 1458a_100011220947_100000745022 [0,0,0,1,0,1|1,0,1]=4 4942 B11R1.348 CC(=CCC(=O)NC1CC1)C 1626a_100000212008_100011220947 [0,0,0,1,0,1|1,0,1]=4 4943 B11R1.348 CC(=CCC(=O)NC1CC1)C 240690a_100000212008_100011220947 [0,0,0,1,0,1|1,0,1]=4 4944 B11R1.348 CC(=CCC(=O)NC1CC1)C 527a_100000212008_100011220947 [0,0,0,1,0,1|1,0,1]=4 4945 B11R1.348 CC(=NNC(C)C)CC1CC1 4a_100000741168_200000686933 [0,0,0,1,0,1|2,0,0]=4 4946 B11R1.348 CC(=O)NCC(=O)CC1CC1 1458a_100000194580_100000742324 [0,0,0,1,0,1|1,0,1]=4 4947 B11R1.348 CC(=O)OCC(=O)CC1CC1 1458a_100000183556_100000742324 [0,0,0,1,0,1|1,0,1]=4 4948 B11R1.348 CC(=O)SCC(=O)CC1CC1 1458a_100000049016_100000742324 [0,0,0,1,0,1|1,0,1]=4 4949 B11R1.348 CC(C)C=CC(=O)CC1CC1 1458a_100016268746_100000742324 [0,0,0,1,0,1|0,0,1]=3 4950 B11R1.348 CC(C)C=CC(=O)CC1CO1 1458a_100016268746_100011216344 [0,0,0,1,0,1|1,0,1]=4 4951 B11R1.348 CC(C)C=CC(=O)CC1CS1 1458a_100016268746_100000031435 [0,0,0,1,0,1|1,0,1]=4 4952 B11R1.348 CC(C)C=CC(=O)C[C@@H]1CO1 1458a_100016268746_100000745022 [0,0,0,1,0,1|1,0,1]=4 4953 B11R1.348 CC(C)C=CC(=O)NC1CC1 1626a_100000212008_100016268746 [0,0,0,1,0,1|1,0,1]=4 4954 B11R1.348 CC(C)C=CC(=O)NC1CC1 240690a_100000212008_100016268746 [0,0,0,1,0,1|1,0,1]=4 4955 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000181311_100000742324 [0,0,0,1,0,1|0,0,0]=2 4956 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000738066_100000210312 [0,0,0,1,0,1|0,0,0]=2 4957 B11R1.348 CC(C)CCC(=O)CC1CO1 1458a_100000181311_100011216344 [0,0,0,1,0,1|1,0,0]=3 4958 B11R1.348 CC(C)CCC(=O)CC1CS1 1458a_100000181311_100000031435 [0,0,0,1,0,1|1,0,0]=3 4959 B11R1.348 CC(C)CCC(=O)C[C@@H]1CO1 1458a_100000181311_100000745022 [0,0,0,1,0,1|1,0,0]=3 4960 B11R1.348 CC(C)CCC(=O)NC1CC1 1626a_100000212008_100000181311 [0,0,0,1,0,1|1,0,0]=3 4961 B11R1.348 CC(C)CCC(=O)NC1CC1 240690a_100000212008_100000181311 [0,0,0,1,0,1|1,0,0]=3 4962 B11R1.348 CC(C)CCC(=O)NC1CC1 527a_100000212008_100000181311 [0,0,0,1,0,1|1,0,0]=3 4963 B11R1.348 CC(C)CCN(C)CC1CC1 2230a_100000741881_100000210312 [0,0,0,1,0,1|2,0,0]=4 4964 B11R1.348 CC(C)CCN(C)CC1CC1 2230a_100000742789_100000742324 [0,0,0,1,0,1|2,0,0]=4 4965 B11R1.348 CC(C)CCN(C)CC1CC1 269982a_100000741881_100000210312 [0,0,0,1,0,1|2,0,0]=4 4966 B11R1.348 CC(C)CCN(C)CC1CC1 269982a_100000742789_100000756562 [0,0,0,1,0,1|2,0,0]=4 4967 B11R1.348 CC(C)CNC(=O)CC1CC1 11a_100000210953_100000738066 [0,0,0,1,0,1|0,0,0]=2 4968 B11R1.348 CC(C)CNC(=O)CC1CC1 1626a_100000210953_100000738066 [0,0,0,1,0,1|0,0,0]=2 4969 B11R1.348 CC(C)CNC(=O)CC1CC1 240690a_100000210953_100000738066 [0,0,0,1,0,1|0,0,0]=2 4970 B11R1.348 CC(C)CNC(=O)CC1CC1 527a_100000210953_100000738066 [0,0,0,1,0,1|0,0,0]=2 4971 B11R1.348 CC(C)CNC(=O)NC1CC1 2708a_100000210953_100000212008 [0,0,0,1,0,1|1,0,0]=3 4972 B11R1.348 CC(C)CNC(=O)NC1CC1 2708a_100000212008_100000210953 [0,0,0,1,0,1|1,0,0]=3 4973 B11R1.348 CC(C)CNC(=O)NC1CC1 273464a_100000210953_100000212008 [0,0,0,1,0,1|1,0,0]=3 4974 B11R1.348 CC(C)CNC(=O)NC1CC1 273464a_100000212008_100000210953 [0,0,0,1,0,1|1,0,0]=3 4975 B11R1.348 CC(C)CNC(=O)NC1CC1 512a_100000212008_100000210953 [0,0,0,1,0,1|1,0,0]=3 4976 B11R1.348 CC(C)CNC(C)CC1CC1 270004a_100000210953_200000686933 [0,0,0,1,0,1|1,0,1]=4 4977 B11R1.348 CC(C)NCC(=O)NC1CC1 2230a_100000702991_100000210206 [0,0,0,1,0,1|1,0,0]=3 4978 B11R1.348 CC(C)NCC(=O)NC1CC1 2230a_100138425928_100000182950 [0,0,0,1,0,1|1,0,0]=3 4979 B11R1.348 CC(C)NCC(=O)NC1CC1 34a_100138425928_100000182950 [0,0,0,1,0,1|1,0,0]=3 4980 B11R1.348 CC(C)NNC(=O)CC1CC1 22a_100000741168_100000738066 [0,0,0,1,0,1|1,0,0]=3 4981 B11R1.348 CC(C)NNC(=O)NC1CC1 273464a_100000212008_100000741168 [0,0,0,1,0,1|2,0,0]=4 4982 B11R1.348 CC(C)NNC(=O)NC1CC1 512a_100000212008_100000741168 [0,0,0,1,0,1|2,0,0]=4 4983 B11R1.348 CC(C)OCC(=O)CC1CC1 1458a_100000745533_100000742324 [0,0,0,1,0,1|0,0,0]=2 4984 B11R1.348 CC(C)OCC(=O)CC1CO1 1458a_100000745533_100011216344 [0,0,0,1,0,1|1,0,0]=3 4985 B11R1.348 CC(C)OCC(=O)CC1CS1 1458a_100000745533_100000031435 [0,0,0,1,0,1|1,0,0]=3 4986 B11R1.348 CC(C)OCC(=O)C[C@@H]1CO1 1458a_100000745533_100000745022 [0,0,0,1,0,1|1,0,0]=3 4987 B11R1.348 CC(C)OCC(=O)NC1CC1 1626a_100000212008_100000745533 [0,0,0,1,0,1|1,0,0]=3 4988 B11R1.348 CC(C)OCC(=O)NC1CC1 240690a_100000212008_100000745533 [0,0,0,1,0,1|1,0,0]=3 4989 B11R1.348 CC(C)OCC(=O)NC1CC1 34a_100000212225_100000182950 [0,0,0,1,0,1|1,0,0]=3 4990 B11R1.348 CC(C)OCC(=O)NC1CC1 527a_100000212008_100000745533 [0,0,0,1,0,1|1,0,0]=3 4991 B11R1.348 CC(C)OCN(C)CC1CC1 2230a_100000741881_100000709892 [0,0,0,1,0,1|2,0,0]=4 4992 B11R1.348 CC(C)OCN(C)CC1CC1 269982a_100000741881_100000709892 [0,0,0,1,0,1|2,0,0]=4 4993 B11R1.348 CC(C)SCC(=O)CC1CC1 1458a_100000241585_100000742324 [0,0,0,1,0,1|0,0,0]=2 4994 B11R1.348 CC(C)SCC(=O)CC1CO1 1458a_100000241585_100011216344 [0,0,0,1,0,1|1,0,0]=3 4995 B11R1.348 CC(C)SCC(=O)CC1CS1 1458a_100000241585_100000031435 [0,0,0,1,0,1|1,0,0]=3 4996 B11R1.348 CC(C)SCC(=O)C[C@@H]1CO1 1458a_100000241585_100000745022 [0,0,0,1,0,1|1,0,0]=3 4997 B11R1.348 CC(C)SCC(=O)NC1CC1 1626a_100000212008_100000241585 [0,0,0,1,0,1|1,0,0]=3 4998 B11R1.348 CC(C)SCC(=O)NC1CC1 240690a_100000212008_100000241585 [0,0,0,1,0,1|1,0,0]=3 4999 B11R1.348 CC(C)SCC(=O)NC1CC1 527a_100000212008_100000241585 [0,0,0,1,0,1|1,0,0]=3 5000 B11R1.348 CC(C)SCC(=O)NC1CC1 62a_100000182950_100000210206 [0,0,0,1,0,1|1,0,0]=3 5001 B11R1.348 CC(C)SCC(=O)NC1CC1 62a_100000210206_100000182950 [0,0,0,1,0,1|1,0,0]=3 5002 B11R1.348 CC(O)CCC(=O)CC1CC1 1458a_100000738066_100012276601 [0,0,0,1,0,1|1,0,0]=3 5003 B11R1.348 CC(O)CCC(=O)NC1CC1 1626a_100000212008_100000718519 [0,0,0,1,0,1|2,0,0]=4 5004 B11R1.348 CC(O)CNC(=O)CC1CC1 11a_100000210904_100000738066 [0,0,0,1,0,1|1,0,0]=3 5005 B11R1.348 CC(O)CNC(=O)CC1CC1 240690a_100000210904_100000738066 [0,0,0,1,0,1|1,0,0]=3 5006 B11R1.348 CC(O)CNC(=O)CC1CC1 527a_100000210904_100000738066 [0,0,0,1,0,1|1,0,0]=3 5007 B11R1.348 CC(O)CNC(=O)NC1CC1 2708a_100000212008_100000210904 [0,0,0,1,0,1|2,0,0]=4 5008 B11R1.348 CC(O)CNC(=O)NC1CC1 273464a_100000210904_100000212008 [0,0,0,1,0,1|2,0,0]=4 5009 B11R1.348 CC(O)CNC(=O)NC1CC1 273464a_100000212008_100000210904 [0,0,0,1,0,1|2,0,0]=4 5010 B11R1.348 CC(O)CNC(=O)NC1CC1 512a_100000212008_100000210904 [0,0,0,1,0,1|2,0,0]=4 5011 B11R1.348 CN(C)CCC(=O)NC1CC1 2230a_100102631434_100000737409 [0,0,0,1,0,1|2,0,0]=4 5012 B11R1.348 CN(C)CCC(=O)NC1CC1 240690a_100000212008_100000689311 [0,0,0,1,0,1|2,0,0]=4 5013 B11R1.348 CN(C)CCC(=O)NC1CC1 269982a_100102631434_100000737409 [0,0,0,1,0,1|2,0,0]=4 5014 B11R1.348 CN(C)CCC(=O)NC1CC1 527a_100000212008_100000689311 [0,0,0,1,0,1|2,0,0]=4 5015 B11R1.348 C[S+](C)CCC(=O)CC1CC1 1458a_100009452791_100000742324 [0,0,0,1,0,1|1,0,0]=3 5016 B11R1.348 C[S+](C)CCC(=O)CC1CO1 1458a_100009452791_100011216344 [0,0,0,1,0,1|2,0,0]=4 5017 B11R1.348 C[S+](C)CCC(=O)CC1CS1 1458a_100009452791_100000031435 [0,0,0,1,0,1|2,0,0]=4 5018 B11R1.348 C[S+](C)CCC(=O)C[C@@H]1CO1 1458a_100009452791_100000745022 [0,0,0,1,0,1|2,0,0]=4 5019 B11R1.348 C[S+](C)CCC(=O)NC1CC1 1626a_100000212008_100009452791 [0,0,0,1,0,1|2,0,0]=4 5020 B11R1.348 C[S+](C)CCC(=O)NC1CC1 240690a_100000212008_100009452791 [0,0,0,1,0,1|2,0,0]=4 5021 B11R1.348 O=C(CC1CC1)NCC(F)F 11a_100000765723_100000738066 [0,0,0,1,0,1|2,0,0]=4 5022 B11R1.348 O=C(CC1CC1)NCC(F)F 1626a_100000765723_100000738066 [0,0,0,1,0,1|2,0,0]=4 5023 B11R1.348 O=C(CC1CC1)NCC(F)F 240690a_100000765723_100000738066 [0,0,0,1,0,1|2,0,0]=4 5024 B11R1.348 O=C(CC1CC1)NCC(F)F 527a_100000765723_100000738066 [0,0,0,1,0,1|2,0,0]=4 5025 B11R1.348 O=C(COC(F)F)CC1CC1 1458a_200000719455_100000742324 [0,0,0,1,0,1|2,0,0]=4 5026 B11R1.348 O=C(CSC(F)F)CC1CC1 1458a_114828291038_100000742324 [0,0,0,1,0,1|2,0,0]=4 5027 B11R1.485 C=C(C)CC(=O)CCC1CC1 1458a_100000756386_100000748629 [0,0,0,1,0,1|0,0,2]=4 5028 B11R1.485 CC(=CC(=O)CCC1CC1)C 1458a_100000211388_100000694398 [0,0,0,1,0,1|0,0,2]=4 5029 B11R1.485 CC(=CC(=O)NCC1CC1)C 11a_100000735609_100000211388 [0,0,0,1,0,1|0,0,2]=4 5030 B11R1.485 CC(=CC(=O)NCC1CC1)C 1626a_100000735609_100000211388 [0,0,0,1,0,1|0,0,2]=4 5031 B11R1.485 CC(=CC(=O)NCC1CC1)C 240690a_100000735609_100000211388 [0,0,0,1,0,1|0,0,2]=4 5032 B11R1.485 CC(C)CC(=O)C=CC1CC1 1458a_100102529529_100000210624 [0,0,0,1,0,1|0,0,1]=3 5033 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000210554_100000694398 [0,0,0,1,0,1|0,0,0]=2 5034 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000756386_100000210624 [0,0,0,1,0,1|0,0,0]=2 5035 B11R1.485 CC(C)CC(=O)CCC1CO1 1458a_100000210554_100000732470 [0,0,0,1,0,1|1,0,0]=3 5036 B11R1.485 CC(C)CC(=O)NCC1CC1 11a_100000735609_100000210554 [0,0,0,1,0,1|0,0,0]=2 5037 B11R1.485 CC(C)CC(=O)NCC1CC1 1626a_100000735609_100000210554 [0,0,0,1,0,1|0,0,0]=2 5038 B11R1.485 CC(C)CC(=O)NCC1CC1 240690a_100000735609_100000210554 [0,0,0,1,0,1|0,0,0]=2 5039 B11R1.485 CC(C)CC(=O)NCC1CC1 527a_100000735609_100000210554 [0,0,0,1,0,1|0,0,0]=2 5040 B11R1.485 CC(C)CC(=O)NNC1CC1 22a_100000701032_100000210554 [0,0,0,1,0,1|1,0,0]=3 5041 B11R1.485 CC(C)CC(C)NCC1CC1 2230a_100000692259_100000742324 [0,0,0,1,0,1|1,0,1]=4 5042 B11R1.485 CC(C)CC(C)NCC1CC1 2230a_100000735609_100000731052 [0,0,0,1,0,1|1,0,1]=4 5043 B11R1.485 CC(C)CC(C)NCC1CC1 269862a_100000692259_100000741477 [0,0,0,1,0,1|1,0,1]=4 5044 B11R1.485 CC(C)CC(C)NCC1CC1 34a_100000735609_100000731052 [0,0,0,1,0,1|1,0,1]=4 5045 B11R1.485 CC(C)CC(C)OCC1CC1 34a_100000211283_100000731052 [0,0,0,1,0,1|1,0,1]=4 5046 B11R1.485 CC(C)CC(C)OCC1CC1 34a_100000211805_100000742324 [0,0,0,1,0,1|1,0,1]=4 5047 B11R1.485 CC(C)CC(C)OCC1CC1 7a_100000211805_100000742324 [0,0,0,1,0,1|1,0,1]=4 5048 B11R1.485 CC(C)CC(C)SCC1CC1 62a_100000731052_100000742324 [0,0,0,1,0,1|1,0,1]=4 5049 B11R1.485 CC(C)CC(C)SCC1CC1 62a_100000756562_100000731052 [0,0,0,1,0,1|1,0,1]=4 5050 B11R1.485 CC(C)CN(C)CCC1CC1 2230a_100000747067_100000694398 [0,0,0,1,0,1|2,0,0]=4 5051 B11R1.485 CC(C)CN(C)CCC1CC1 269982a_100000747067_100000694398 [0,0,0,1,0,1|2,0,0]=4 5052 B11R1.485 CC(C)C[C@H](N)COC1CC1 34a_100011830311_100000211595 [0,0,0,1,0,1|1,0,1]=4 5053 B11R1.485 CC(C)NC(=O)C=CC1CC1 11a_100138425928_100102529529 [0,0,0,1,0,1|1,0,1]=4 5054 B11R1.485 CC(C)NC(=O)C=CC1CC1 1626a_100138425928_100102529529 [0,0,0,1,0,1|1,0,1]=4 5055 B11R1.485 CC(C)NC(=O)C=CC1CC1 240690a_100138425928_100102529529 [0,0,0,1,0,1|1,0,1]=4 5056 B11R1.485 CC(C)NC(=O)CCC1CC1 11a_100138425928_100000756386 [0,0,0,1,0,1|1,0,0]=3 5057 B11R1.485 CC(C)NC(=O)CCC1CC1 1626a_100138425928_100000756386 [0,0,0,1,0,1|1,0,0]=3 5058 B11R1.485 CC(C)NC(=O)CCC1CC1 240690a_100138425928_100000756386 [0,0,0,1,0,1|1,0,0]=3 5059 B11R1.485 CC(C)NC(=O)CCC1CC1 527a_100138425928_100000756386 [0,0,0,1,0,1|1,0,0]=3 5060 B11R1.485 CC(C)NC(=O)CNC1CC1 34a_100000212008_100000183996 [0,0,0,1,0,1|1,0,0]=3 5061 B11R1.485 CC(C)NC(=O)CSC1CC1 62a_100000183996_100000211595 [0,0,0,1,0,1|1,0,0]=3 5062 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100000735609_100138425928 [0,0,0,1,0,1|1,0,0]=3 5063 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100138425928_100000735609 [0,0,0,1,0,1|1,0,0]=3 5064 B11R1.485 CC(C)NC(=O)NCC1CC1 273464a_100138425928_100000735609 [0,0,0,1,0,1|1,0,0]=3 5065 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100000735609_100138425928 [0,0,0,1,0,1|1,0,0]=3 5066 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100138425928_100000735609 [0,0,0,1,0,1|1,0,0]=3 5067 B11R1.485 CC(C)NC(=O)NNC1CC1 273464a_100138425928_100000701032 [0,0,0,1,0,1|2,0,0]=4 5068 B11R1.485 CC(C)NC(=O)NNC1CC1 512a_100000701032_100138425928 [0,0,0,1,0,1|2,0,0]=4 5069 B11R1.485 CC(C)NC(=O)NNC1CC1 512a_100138425928_100000701032 [0,0,0,1,0,1|2,0,0]=4 5070 B11R1.485 CC(C)OC(=O)CNC1CC1 34a_100000212008_100011215430 [0,0,0,1,0,1|1,0,0]=3 5071 B11R1.485 CC(C)OC(=O)CSC1CC1 62a_100011215430_100000211595 [0,0,0,1,0,1|1,0,0]=3 5072 B11R1.485 CC(O)CC(=O)C=CC1CC1 1458a_100102529529_100011218427 [0,0,0,1,0,1|1,0,1]=4 5073 B11R1.485 CC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218427 [0,0,0,1,0,1|1,0,0]=3 5074 B11R1.485 CN(C)CC(=O)CCC1CC1 1458a_100000750896_100000694398 [0,0,0,1,0,1|1,0,0]=3 5075 B11R1.485 CN(C)CC(=O)CCC1CO1 1458a_100000750896_100000732470 [0,0,0,1,0,1|2,0,0]=4 5076 B11R1.485 CN(C)CC(=O)NCC1CC1 11a_100000735609_100000750896 [0,0,0,1,0,1|1,0,0]=3 5077 B11R1.485 CN(C)CC(=O)NCC1CC1 240690a_100000735609_100000750896 [0,0,0,1,0,1|1,0,0]=3 5078 B11R1.485 CN(C)CC(=O)NCC1CC1 527a_100000735609_100000750896 [0,0,0,1,0,1|1,0,0]=3 5079 B11R1.485 CN(C)CC(=O)NNC1CC1 22a_100000701032_100000750896 [0,0,0,1,0,1|2,0,0]=4 5080 B11R1.485 C[C@@H](O)CC(=O)CCC1CC1 1458a_100011933948_100000694398 [0,0,0,1,0,1|1,0,0]=3 5081 B11R1.485 C[C@@H](O)CC(=O)CCC1CO1 1458a_100011933948_100000732470 [0,0,0,1,0,1|2,0,0]=4 5082 B11R1.485 C[C@@H](O)CC(=O)NCC1CC1 240690a_100000735609_100011933948 [0,0,0,1,0,1|1,0,0]=3 5083 B11R1.485 C[C@@H](O)CC(=O)NNC1CC1 22a_100000701032_100011933948 [0,0,0,1,0,1|2,0,0]=4 5084 B11R1.485 C[S+](C)CC(=O)CCC1CC1 1458a_200159257847_100000694398 [0,0,0,1,0,1|1,0,0]=3 5085 B11R1.485 C[S+](C)CC(=O)CCC1CO1 1458a_200159257847_100000732470 [0,0,0,1,0,1|2,0,0]=4 5086 B11R1.485 C[S+](C)CC(=O)NCC1CC1 11a_100000735609_200159257847 [0,0,0,1,0,1|1,0,0]=3 5087 B11R1.485 C[S+](C)CC(=O)NCC1CC1 1626a_100000735609_200159257847 [0,0,0,1,0,1|1,0,0]=3 5088 B11R1.485 C[S+](C)CC(=O)NCC1CC1 240690a_100000735609_200159257847 [0,0,0,1,0,1|1,0,0]=3 5089 B11R1.485 C[S+](C)CC(=O)NCC1CC1 527a_100000735609_200159257847 [0,0,0,1,0,1|1,0,0]=3 5090 B11R1.485 C[S+](C)CC(=O)NNC1CC1 22a_100000701032_200159257847 [0,0,0,1,0,1|2,0,0]=4 5091 B11R1.485 O=C(CCC1CC1)CC(F)F 1458a_100000756386_100011934356 [0,0,0,1,0,1|2,0,0]=4 5092 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [0,0,0,1,0,1|1,0,0]=3 5093 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [0,0,0,1,0,1|1,0,0]=3 5094 B11R1.645 CC(C)OC1CC(OC1=O)C 34a_100000212225_200000216747 [0,0,0,1,0,1|1,0,0]=3 5095 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_100000210206_200000216747 [0,0,0,1,0,1|1,0,0]=3 5096 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_200000216747_100000210206 [0,0,0,1,0,1|1,0,0]=3 5097 B11R1.710 CC(C)CN1CCC(C1)(C)C 2230a_100000764714_100000210760 [0,0,0,1,0,1|2,0,0]=4 5098 B11R1.710 CC(C)CN1CCC(C1)(C)C 269982a_100000764714_100000210624 [0,0,0,1,0,1|2,0,0]=4 5099 B11R1.710 CC(C)CN1CCC(C1)(C)C 270004a_100000764714_100000210432 [0,0,0,1,0,1|2,0,0]=4 5100 B11R1.714 CC(C)CCN1CC(C1)(C)C 2230a_100000753659_100000210312 [0,0,0,1,0,1|2,0,0]=4 5101 B11R1.714 CC(C)CCN1CC(C1)(C)C 269982a_100000753659_100000210312 [0,0,0,1,0,1|2,0,0]=4 5102 B11R1.714 CC(C)OCN1CC(C1)(C)C 2230a_100000753659_100000709892 [0,0,0,1,0,1|2,0,0]=4 5103 B11R1.714 CC(C)OCN1CC(C1)(C)C 269982a_100000753659_100000709892 [0,0,0,1,0,1|2,0,0]=4 5104 B11R1.743 CC(C)CC1CN(C1)C(C)C 2230a_214813039686_100000210206 [0,0,0,1,0,1|1,0,1]=4 5105 B11R1.743 CC(C)CC1CN(C1)C(C)C 269982a_214813039686_100000210206 [0,0,0,1,0,1|1,0,1]=4 5106 B11R1.743 CC(C)CC1CN(C1)C(C)C 34a_214813039686_100000210206 [0,0,0,1,0,1|1,0,1]=4 5107 B11R1.1263 C=C(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000748629 [0,0,0,1,0,1|0,0,2]=4 5108 B11R1.1263 CC(C)CC(=O)C1CC1(F)F 1458a_100000042250_100000210624 [0,0,0,1,0,1|2,0,0]=4 5109 B11R1.1263 CC(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210624 [0,0,0,1,0,1|0,0,0]=2 5110 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 11a_100138425928_100000692687 [0,0,0,1,0,1|1,0,0]=3 5111 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 1626a_100138425928_100000692687 [0,0,0,1,0,1|1,0,0]=3 5112 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 240690a_100138425928_100000692687 [0,0,0,1,0,1|1,0,0]=3 5113 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 527a_100138425928_100000692687 [0,0,0,1,0,1|1,0,0]=3 5114 B11R1.1263 CC(O)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011218427 [0,0,0,1,0,1|1,0,0]=3 5115 B11R1.1263 CC1(C[C@@H]1C(=O)CC(F)F)C 1458a_100000692687_100011934356 [0,0,0,1,0,1|2,0,0]=4 5116 B11R1.141 CC(C)CC(=O)C1CCC1=O 1458a_100000210554_100009892977 [0,1,0,1,0,0|1,0,1]=4 5117 B11R1.141 CC(C)CC(=O)N1CCC1C 11a_100000755817_100000210554 [0,1,0,1,0,0|1,0,0]=3 5118 B11R1.141 CC(C)CC(=O)N1CCC1C 240690a_100000755817_100000210554 [0,1,0,1,0,0|1,0,0]=3 5119 B11R1.141 CC(C)CC(=O)N1CCC1C 527a_100000755817_100000210554 [0,1,0,1,0,0|1,0,0]=3 5120 B11R1.141 CC(C)NC(=O)N1CCC1C 2708a_100138425928_100000755817 [0,1,0,1,0,0|2,0,0]=4 5121 B11R1.141 CC(C)NC(=O)N1CCC1C 273464a_100138425928_100000755817 [0,1,0,1,0,0|2,0,0]=4 5122 B11R1.141 CC1CCN1C(=O)CN(C)C 11a_100000755817_100000750896 [0,1,0,1,0,0|2,0,0]=4 5123 B11R1.141 CC1CCN1C(=O)CN(C)C 240690a_100000755817_100000750896 [0,1,0,1,0,0|2,0,0]=4 5124 B11R1.141 CC1CCN1C(=O)CN(C)C 527a_100000755817_100000750896 [0,1,0,1,0,0|2,0,0]=4 5125 B11R1.141 CC1CCN1C(=O)C[C@@H](C)O 240690a_100000755817_100011933948 [0,1,0,1,0,0|2,0,0]=4 5126 B11R1.141 CC1CCN1C(=O)C[S+](C)C 11a_100000755817_200159257847 [0,1,0,1,0,0|2,0,0]=4 5127 B11R1.141 CC1CCN1C(=O)C[S+](C)C 240690a_100000755817_200159257847 [0,1,0,1,0,0|2,0,0]=4 5128 B11R1.141 CC1CCN1C(=O)C[S+](C)C 527a_100000755817_200159257847 [0,1,0,1,0,0|2,0,0]=4 5129 B11R1.149 CC(=O)C(C)C(=O)C1CC1C 1458a_100000211227_100000179758 [0,1,0,1,0,0|1,0,1]=4 5130 B11R1.149 CC(C)N(C)C(=O)[C@@H]1C[C@@H]1F 11a_200000211004_100015396687 [0,1,0,1,0,0|2,0,0]=4 5131 B11R1.149 CC(C)N(C)C(=O)[C@@H]1C[C@@H]1F 240690a_200000211004_100015396687 [0,1,0,1,0,0|2,0,0]=4 5132 B11R1.149 CC(C)N(C)C(=O)[C@@H]1C[C@@H]1F 527a_200000211004_100015396687 [0,1,0,1,0,0|2,0,0]=4 5133 B11R1.149 CC1CC1C(=O)N(C)C(C)C 11a_200000211004_100000211227 [0,1,0,1,0,0|1,0,0]=3 5134 B11R1.149 CC1CC1C(=O)N(C)C(C)C 1626a_200000211004_100000211227 [0,1,0,1,0,0|1,0,0]=3 5135 B11R1.149 CC1CC1C(=O)N(C)C(C)C 527a_200000211004_100000211227 [0,1,0,1,0,0|1,0,0]=3 5136 B11R1.166 CC(C)N1CCN(CC1=O)C 2230a_100000698735_200000210301 [0,1,0,1,0,0|2,0,0]=4 5137 B11R1.166 CC(C)N1CCN(CC1=O)C 269982a_100000698735_200000210301 [0,1,0,1,0,0|2,0,0]=4 5138 B11R1.166 CC(C)N1CCN(CC1=O)C 34a_100000698735_200000210301 [0,1,0,1,0,0|2,0,0]=4 5139 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 2230a_100000698735_200025704644 [0,1,0,1,0,0|2,0,0]=4 5140 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 269982a_100000698735_200025704644 [0,1,0,1,0,0|2,0,0]=4 5141 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 34a_100000698735_200025704644 [0,1,0,1,0,0|2,0,0]=4 5142 B11R1.503 CC(=O)C(C)C(=O)CC1CC1 1458a_100000738066_100000179758 [0,1,0,1,0,0|1,0,1]=4 5143 B11R1.503 CC(C(=O)NC1CC1)N(C)C 2230a_100102631434_100000179742 [0,1,0,1,0,0|2,0,0]=4 5144 B11R1.503 CC(C(=O)NC1CC1)N(C)C 269982a_100102631434_100000179742 [0,1,0,1,0,0|2,0,0]=4 5145 B11R1.503 CC(C)C(=O)C(=O)NC1CC1 1458a_100000756273_100000210206 [0,1,0,1,0,0|1,0,1]=4 5146 B11R1.503 CC(C)C(C)C(=O)CC1CC1 1458a_100000755409_100000742324 [0,1,0,1,0,0|0,0,0]=2 5147 B11R1.503 CC(C)C(C)C(=O)CC1CO1 1458a_100000755409_100011216344 [0,1,0,1,0,0|1,0,0]=3 5148 B11R1.503 CC(C)C(C)C(=O)CC1CS1 1458a_100000755409_100000031435 [0,1,0,1,0,0|1,0,0]=3 5149 B11R1.503 CC(C)C(C)C(=O)C[C@@H]1CO1 1458a_100000755409_100000745022 [0,1,0,1,0,0|1,0,0]=3 5150 B11R1.503 CC(C)C(C)C(=O)NC1CC1 1626a_100000212008_100000755409 [0,1,0,1,0,0|1,0,0]=3 5151 B11R1.503 CC(C)C(C)C(=O)NC1CC1 240690a_100000212008_100000755409 [0,1,0,1,0,0|1,0,0]=3 5152 B11R1.503 CC(C)C(C)C(=O)NC1CC1 527a_100000212008_100000755409 [0,1,0,1,0,0|1,0,0]=3 5153 B11R1.503 CC(C)C(C)N(C)CC1CC1 2230a_100000228512_100000742324 [0,1,0,1,0,0|2,0,0]=4 5154 B11R1.503 CC(C)C(C)N(C)CC1CC1 269982a_100000228512_100000756562 [0,1,0,1,0,0|2,0,0]=4 5155 B11R1.503 CC(C)N(C)C(=O)CC1CC1 11a_200000211004_100000738066 [0,1,0,1,0,0|1,0,0]=3 5156 B11R1.503 CC(C)N(C)C(=O)CC1CC1 1626a_200000211004_100000738066 [0,1,0,1,0,0|1,0,0]=3 5157 B11R1.503 CC(C)N(C)C(=O)CC1CC1 240690a_200000211004_100000738066 [0,1,0,1,0,0|1,0,0]=3 5158 B11R1.503 CC(C)N(C)C(=O)CC1CC1 527a_200000211004_100000738066 [0,1,0,1,0,0|1,0,0]=3 5159 B11R1.503 CC(C)N(C)C(=O)NC1CC1 2708a_100000212008_200000211004 [0,1,0,1,0,0|2,0,0]=4 5160 B11R1.503 CC(C)N(C)C(=O)NC1CC1 273464a_100000212008_200000211004 [0,1,0,1,0,0|2,0,0]=4 5161 B11R1.503 CC(C)[C@@H](O)C(=O)CC1CC1 1458a_100000691806_100000742324 [0,1,0,1,0,0|0,0,0]=2 5162 B11R1.503 CC(C)[C@@H](O)C(=O)CC1CO1 1458a_100000691806_100011216344 [0,1,0,1,0,0|1,0,0]=3 5163 B11R1.503 CC(C)[C@@H](O)C(=O)CC1CS1 1458a_100000691806_100000031435 [0,1,0,1,0,0|1,0,0]=3 5164 B11R1.503 CC(C)[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000691806_100000745022 [0,1,0,1,0,0|1,0,0]=3 5165 B11R1.503 CC(C)[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000691806 [0,1,0,1,0,0|1,0,0]=3 5166 B11R1.503 CN(C)C(=O)C(=O)CC1CC1 1458a_100011218876_100000742324 [0,1,0,1,0,0|1,0,1]=4 5167 B11R1.503 C[C@@H](C(=O)CC1CC1)N(C)C 1458a_100009822176_100000742324 [0,1,0,1,0,0|1,0,0]=3 5168 B11R1.503 C[C@@H](C(=O)CC1CO1)N(C)C 1458a_100009822176_100011216344 [0,1,0,1,0,0|2,0,0]=4 5169 B11R1.503 C[C@@H](C(=O)CC1CS1)N(C)C 1458a_100009822176_100000031435 [0,1,0,1,0,0|2,0,0]=4 5170 B11R1.503 C[C@@H](C(=O)C[C@@H]1CO1)N(C)C 1458a_100009822176_100000745022 [0,1,0,1,0,0|2,0,0]=4 5171 B11R1.503 C[C@@H](C(=O)NC1CC1)N(C)C 240690a_100000212008_100009822176 [0,1,0,1,0,0|2,0,0]=4 5172 B11R1.503 C[C@@H](C(=O)NC1CC1)N(C)C 527a_100000212008_100009822176 [0,1,0,1,0,0|2,0,0]=4 5173 B11R1.719 CC(C)CC(=O)N(C)C1CC1 11a_100000226674_100000210554 [0,1,0,1,0,0|1,0,0]=3 5174 B11R1.719 CC(C)CC(=O)N(C)C1CC1 1626a_100000226674_100000210554 [0,1,0,1,0,0|1,0,0]=3 5175 B11R1.719 CC(C)CC(=O)N(C)C1CC1 240690a_100000226674_100000210554 [0,1,0,1,0,0|1,0,0]=3 5176 B11R1.719 CC(C)CC(=O)N(C)C1CC1 527a_100000226674_100000210554 [0,1,0,1,0,0|1,0,0]=3 5177 B11R1.719 CC(C)NC(=O)N(C)C1CC1 2708a_100138425928_100000226674 [0,1,0,1,0,0|2,0,0]=4 5178 B11R1.719 CC(C)NC(=O)N(C)C1CC1 273464a_100138425928_100000226674 [0,1,0,1,0,0|2,0,0]=4 5179 B11R1.719 CN(C(=O)C[S+](C)C)C1CC1 11a_100000226674_200159257847 [0,1,0,1,0,0|2,0,0]=4 5180 B11R1.719 CN(C(=O)C[S+](C)C)C1CC1 1626a_100000226674_200159257847 [0,1,0,1,0,0|2,0,0]=4 5181 B11R1.719 CN(C(=O)C[S+](C)C)C1CC1 240690a_100000226674_200159257847 [0,1,0,1,0,0|2,0,0]=4 5182 B11R1.719 CN(C(=O)C[S+](C)C)C1CC1 527a_100000226674_200159257847 [0,1,0,1,0,0|2,0,0]=4 5183 B11R1.719 CN(C)CC(=O)N(C)C1CC1 11a_100000226674_100000750896 [0,1,0,1,0,0|2,0,0]=4 5184 B11R1.719 CN(C)CC(=O)N(C)C1CC1 240690a_100000226674_100000750896 [0,1,0,1,0,0|2,0,0]=4 5185 B11R1.719 CN(C)CC(=O)N(C)C1CC1 527a_100000226674_100000750896 [0,1,0,1,0,0|2,0,0]=4 5186 B11R1.719 C[C@@H](O)CC(=O)N(C)C1CC1 240690a_100000226674_100011933948 [0,1,0,1,0,0|2,0,0]=4 5187 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)C 270004a_100016987628_100011204126 [0,1,0,1,0,0|2,0,0]=4 5188 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)C 34a_100016987628_100011219605 [0,1,0,1,0,0|2,0,0]=4 5189 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)F 34a_100016987628_100011997219 [0,1,0,1,0,0|2,0,0]=4 5190 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)O 34a_100016987628_100000764493 [0,1,0,1,0,0|2,0,0]=4 5191 B11R1.547 CC(C)(C)NC(=O)[C@@H]1C[C@@H]1F 11a_100000715429_100015396687 [0,1,0,1,0,0|2,0,0]=4 5192 B11R1.547 CC(C)(C)NC(=O)[C@@H]1C[C@@H]1F 240690a_100000715429_100015396687 [0,1,0,1,0,0|2,0,0]=4 5193 B11R1.547 CC(C)(C)NC(=O)[C@@H]1C[C@@H]1F 527a_100000715429_100015396687 [0,1,0,1,0,0|2,0,0]=4 5194 B11R1.547 CC1CC1C(=O)C[Si](C)(C)C 1458a_100000211227_100000233785 [0,1,0,1,0,0|0,1,0]=3 5195 B11R1.547 CC1CC1C(=O)NC(C)(C)C 11a_100000715429_100000211227 [0,1,0,1,0,0|1,0,0]=3 5196 B11R1.547 CC1CC1C(=O)NC(C)(C)C 1626a_100000715429_100000211227 [0,1,0,1,0,0|1,0,0]=3 5197 B11R1.547 CC1CC1C(=O)NC(C)(C)C 527a_100000715429_100000211227 [0,1,0,1,0,0|1,0,0]=3 5198 B11R1.547 C[Si](C)(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000233785 [0,1,0,1,0,0|1,1,0]=4 5199 B11R1.728 C=C(C)CC(=O)CC1(CC1)C 1458a_100000112800_100000748629 [0,1,0,1,0,0|0,0,2]=4 5200 B11R1.728 CC(=CC(=O)CC1(CO1)C)C 1458a_100000211388_100000760498 [0,1,0,1,0,0|0,0,2]=4 5201 B11R1.728 CC(C)CC(=O)CC1(CC1)C 1458a_100000112800_100000210624 [0,1,0,1,0,0|0,0,0]=2 5202 B11R1.728 CC(C)CC(=O)CC1(CO1)C 1458a_100000210554_100000760498 [0,1,0,1,0,0|0,0,0]=2 5203 B11R1.728 CC(C)CC(=O)NC1(CC1)C 11a_100000757604_100000210554 [0,1,0,1,0,0|1,0,0]=3 5204 B11R1.728 CC(C)CC(=O)NC1(CC1)C 1626a_100000757604_100000210554 [0,1,0,1,0,0|1,0,0]=3 5205 B11R1.728 CC(C)CC(=O)NC1(CC1)C 240690a_100000757604_100000210554 [0,1,0,1,0,0|1,0,0]=3 5206 B11R1.728 CC(C)CC(=O)NC1(CC1)C 527a_100000757604_100000210554 [0,1,0,1,0,0|1,0,0]=3 5207 B11R1.728 CC(C)CN(C)CC1(CO1)C 269982a_100000747067_100000760498 [0,1,0,1,0,0|2,0,0]=4 5208 B11R1.728 CC(C)NC(=O)CC1(CC1)C 11a_100138425928_100000112800 [0,1,0,1,0,0|1,0,0]=3 5209 B11R1.728 CC(C)NC(=O)CC1(CC1)C 1626a_100138425928_100000112800 [0,1,0,1,0,0|1,0,0]=3 5210 B11R1.728 CC(C)NC(=O)CC1(CC1)C 240690a_100138425928_100000112800 [0,1,0,1,0,0|1,0,0]=3 5211 B11R1.728 CC(C)NC(=O)CC1(CC1)C 527a_100138425928_100000112800 [0,1,0,1,0,0|1,0,0]=3 5212 B11R1.728 CC(C)NC(=O)NC1(CC1)C 2708a_100138425928_100000757604 [0,1,0,1,0,0|2,0,0]=4 5213 B11R1.728 CC(C)NC(=O)NC1(CC1)C 273464a_100138425928_100000757604 [0,1,0,1,0,0|2,0,0]=4 5214 B11R1.728 CC(C)NC(=O)NC1(CC1)C 512a_100000757604_100138425928 [0,1,0,1,0,0|2,0,0]=4 5215 B11R1.728 CC(O)CC(=O)CC1(CC1)C 1458a_100000112800_100011218427 [0,1,0,1,0,0|1,0,0]=3 5216 B11R1.728 CC1(CC1)CC(=O)CC(F)F 1458a_100000112800_100011934356 [0,1,0,1,0,0|2,0,0]=4 5217 B11R1.728 CN(C)CC(=O)CC1(CO1)C 1458a_100000750896_100000760498 [0,1,0,1,0,0|1,0,0]=3 5218 B11R1.728 CN(C)CC(=O)NC1(CC1)C 11a_100000757604_100000750896 [0,1,0,1,0,0|2,0,0]=4 5219 B11R1.728 CN(C)CC(=O)NC1(CC1)C 240690a_100000757604_100000750896 [0,1,0,1,0,0|2,0,0]=4 5220 B11R1.728 CN(C)CC(=O)NC1(CC1)C 527a_100000757604_100000750896 [0,1,0,1,0,0|2,0,0]=4 5221 B11R1.728 C[C@@H](O)CC(=O)CC1(CO1)C 1458a_100011933948_100000760498 [0,1,0,1,0,0|1,0,0]=3 5222 B11R1.728 C[C@@H](O)CC(=O)NC1(CC1)C 240690a_100000757604_100011933948 [0,1,0,1,0,0|2,0,0]=4 5223 B11R1.728 C[S+](C)CC(=O)CC1(CO1)C 1458a_200159257847_100000760498 [0,1,0,1,0,0|1,0,0]=3 5224 B11R1.728 C[S+](C)CC(=O)NC1(CC1)C 11a_100000757604_200159257847 [0,1,0,1,0,0|2,0,0]=4 5225 B11R1.728 C[S+](C)CC(=O)NC1(CC1)C 1626a_100000757604_200159257847 [0,1,0,1,0,0|2,0,0]=4 5226 B11R1.728 C[S+](C)CC(=O)NC1(CC1)C 240690a_100000757604_200159257847 [0,1,0,1,0,0|2,0,0]=4 5227 B11R1.728 C[S+](C)CC(=O)NC1(CC1)C 527a_100000757604_200159257847 [0,1,0,1,0,0|2,0,0]=4 5228 B11R1.1127 CC(C)(C)CC(=O)CC1CC1 1458a_100000211214_100000742324 [0,1,0,1,0,0|0,0,0]=2 5229 B11R1.1127 CC(C)(C)CC(=O)CC1CO1 1458a_100000211214_100011216344 [0,1,0,1,0,0|1,0,0]=3 5230 B11R1.1127 CC(C)(C)CC(=O)CC1CS1 1458a_100000211214_100000031435 [0,1,0,1,0,0|1,0,0]=3 5231 B11R1.1127 CC(C)(C)CC(=O)C[C@@H]1CO1 1458a_100000211214_100000745022 [0,1,0,1,0,0|1,0,0]=3 5232 B11R1.1127 CC(C)(C)CC(=O)NC1CC1 1626a_100000212008_100000211214 [0,1,0,1,0,0|1,0,0]=3 5233 B11R1.1127 CC(C)(C)CC(=O)NC1CC1 240690a_100000212008_100000211214 [0,1,0,1,0,0|1,0,0]=3 5234 B11R1.1127 CC(C)(C)CC(=O)NC1CC1 527a_100000212008_100000211214 [0,1,0,1,0,0|1,0,0]=3 5235 B11R1.1127 CC(C)(C)NC(=O)CC1CC1 11a_100000715429_100000738066 [0,1,0,1,0,0|1,0,0]=3 5236 B11R1.1127 CC(C)(C)NC(=O)CC1CC1 1626a_100000715429_100000738066 [0,1,0,1,0,0|1,0,0]=3 5237 B11R1.1127 CC(C)(C)NC(=O)CC1CC1 240690a_100000715429_100000738066 [0,1,0,1,0,0|1,0,0]=3 5238 B11R1.1127 CC(C)(C)NC(=O)CC1CC1 527a_100000715429_100000738066 [0,1,0,1,0,0|1,0,0]=3 5239 B11R1.1127 CC(C)(C)NC(=O)NC1CC1 2708a_100000212008_100000715429 [0,1,0,1,0,0|2,0,0]=4 5240 B11R1.1127 CC(C)(C)NC(=O)NC1CC1 273464a_100000212008_100000715429 [0,1,0,1,0,0|2,0,0]=4 5241 B11R1.1127 CC(C)(C)NC(=O)NC1CC1 273464a_100000715429_100000212008 [0,1,0,1,0,0|2,0,0]=4 5242 B11R1.1127 CC(C)(O)CC(=O)CC1CC1 1458a_100000693243_100000742324 [0,1,0,1,0,0|0,0,0]=2 5243 B11R1.1127 CC(C)(O)CC(=O)CC1CO1 1458a_100000693243_100011216344 [0,1,0,1,0,0|1,0,0]=3 5244 B11R1.1127 CC(C)(O)CC(=O)CC1CS1 1458a_100000693243_100000031435 [0,1,0,1,0,0|1,0,0]=3 5245 B11R1.1127 CC(C)(O)CC(=O)C[C@@H]1CO1 1458a_100000693243_100000745022 [0,1,0,1,0,0|1,0,0]=3 5246 B11R1.1127 CC(C)(O)CC(=O)NC1CC1 527a_100000212008_100000693243 [0,1,0,1,0,0|1,0,0]=3 5247 B11R1.1127 CN(CC1CC1)CC(C)(C)C 2230a_100000742839_100000742324 [0,1,0,1,0,0|2,0,0]=4 5248 B11R1.1127 CN(CC1CC1)CC(C)(C)C 269982a_100000742839_100000756562 [0,1,0,1,0,0|2,0,0]=4 5249 B11R1.1127 CN(CC1CC1)CC(C)(C)C 270004a_100000741881_100011204126 [0,1,0,1,0,0|2,0,0]=4 5250 B11R1.1127 CN(CC1CC1)CC(C)(C)O 2230a_100000755907_100000742324 [0,1,0,1,0,0|2,0,0]=4 5251 B11R1.1127 CN(CC1CC1)CC(C)(C)O 269982a_100000755907_100000756562 [0,1,0,1,0,0|2,0,0]=4 5252 B11R1.1127 CS(=O)(=O)CC(=O)CC1CC1 1458a_100000744497_100000742324 [0,1,0,1,0,0|2,0,0]=4 5253 B11R1.1127 C[N+](C)(C)CC(=O)CC1CC1 1458a_100000033712_100000742324 [0,1,0,1,0,0|1,0,0]=3 5254 B11R1.1127 C[N+](C)(C)CC(=O)CC1CO1 1458a_100000033712_100011216344 [0,1,0,1,0,0|2,0,0]=4 5255 B11R1.1127 C[N+](C)(C)CC(=O)CC1CS1 1458a_100000033712_100000031435 [0,1,0,1,0,0|2,0,0]=4 5256 B11R1.1127 C[N+](C)(C)CC(=O)C[C@@H]1CO1 1458a_100000033712_100000745022 [0,1,0,1,0,0|2,0,0]=4 5257 B11R1.1127 C[N+](C)(C)CC(=O)NC1CC1 1626a_100000212008_100000033712 [0,1,0,1,0,0|2,0,0]=4 5258 B11R1.1127 C[N+](C)(C)CC(=O)NC1CC1 240690a_100000212008_100000033712 [0,1,0,1,0,0|2,0,0]=4 5259 B11R1.1127 C[N+](C)(C)CC(=O)NC1CC1 527a_100000212008_100000033712 [0,1,0,1,0,0|2,0,0]=4 5260 B11R1.1127 C[Si](C)(C)CC(=O)CC1CC1 1458a_100000738066_100000233785 [0,1,0,1,0,0|0,1,0]=3 5261 B11R1.1127 C[Si](C)(C)CC(=O)CC1CC1 1458a_100011218504_100000742324 [0,1,0,1,0,0|0,1,0]=3 5262 B11R1.1127 C[Si](C)(C)CC(=O)CC1CO1 1458a_100011218504_100011216344 [0,1,0,1,0,0|1,1,0]=4 5263 B11R1.1127 C[Si](C)(C)CC(=O)CC1CS1 1458a_100011218504_100000031435 [0,1,0,1,0,0|1,1,0]=4 5264 B11R1.1127 C[Si](C)(C)CC(=O)C[C@@H]1CO1 1458a_100011218504_100000745022 [0,1,0,1,0,0|1,1,0]=4 5265 B11R1.1127 C[Si](C)(C)CC(=O)NC1CC1 1626a_100000212008_100011218504 [0,1,0,1,0,0|1,1,0]=4 5266 B11R1.1127 O=C(CC1CC1)CC(F)(F)F 1458a_100000245130_100000742324 [0,1,0,1,0,0|2,0,0]=4 5267 B11R1.1314 CC(C)(C)CN1CC(C1)(C)C 270004a_100000753659_100011204126 [0,1,0,1,0,0|2,0,0]=4 5268 B11R1.10 CC1=CC(CC(C1)(C)C)O[13CH3] 34a_100000211225_200025704644 [0,1,0,1,0,0|1,0,1]=4 5269 B11R1.10 CC1CC(CC(C1)(C)C)N[13CH3] 2230a_100011207991_200025704644 [0,1,0,1,0,0|1,0,1]=4 5270 B11R1.10 CNC1C=C(CC(C1)(C)C)C 270004a_106832991635_100000211104 [0,1,0,1,0,0|1,0,1]=4 5271 B11R1.10 CNC1C=C(CC(C1)(C)C)N 270004a_106832991635_100000185931 [0,1,0,1,0,0|1,0,1]=4 5272 B11R1.10 CNC1CC(CC(C1)(C)C)C 2230a_100011207991_200000210301 [0,1,0,1,0,0|1,0,1]=4 5273 B11R1.10 CNC1CC(CC(C1)(C)C)C 270004a_106832991635_100000209998 [0,1,0,1,0,0|1,0,1]=4 5274 B11R1.10 COC1C=C(CC(C1)(C)C)C 34a_100000211225_200000210301 [0,1,0,1,0,0|1,0,1]=4 5275 B11R1.39 CCC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000748023 [0,1,0,1,0,0|2,0,0]=4 5276 B11R1.39 CCC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000748023 [0,1,0,1,0,0|2,0,0]=4 5277 B11R1.39 CCC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000243153 [0,1,0,1,0,0|2,0,0]=4 5278 B11R1.39 CCC(C)CN1CC[C@H](C1)C 34a_100016987628_100000748023 [0,1,0,1,0,0|2,0,0]=4 5279 B11R1.39 CC[C@H](C)CN1CC[C@H](C1)C 2230a_100016987628_100009816398 [0,1,0,1,0,0|2,0,0]=4 5280 B11R1.39 CC[C@H](C)CN1CC[C@H](C1)C 269982a_100016987628_100009816398 [0,1,0,1,0,0|2,0,0]=4 5281 B11R1.39 CC[C@H](C)CN1CC[C@H](C1)C 34a_100016987628_100009816398 [0,1,0,1,0,0|2,0,0]=4 5282 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](C)CO 2230a_100016987628_100000059175 [0,1,0,1,0,0|2,0,0]=4 5283 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](C)CO 269982a_100016987628_100000059175 [0,1,0,1,0,0|2,0,0]=4 5284 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](C)CO 34a_100016987628_100000059175 [0,1,0,1,0,0|2,0,0]=4 5285 B11R1.43 CC(C)CN1CCC(C1)CO 2230a_100000748654_100000210760 [0,1,0,1,0,0|2,0,0]=4 5286 B11R1.43 CC(C)CN1CCC(C1)CO 269982a_100000748654_100000210624 [0,1,0,1,0,0|2,0,0]=4 5287 B11R1.43 CC(C)CN1CCC(C1)CO 270004a_100000748654_100000210432 [0,1,0,1,0,0|2,0,0]=4 5288 B11R1.43 CC(C)CN1CCC(C1)CO 34a_100000748654_100000210624 [0,1,0,1,0,0|2,0,0]=4 5289 B11R1.43 CO[C@@H]1CCN(C1)CC(C)C 2230a_100000766984_100000210760 [0,1,0,1,0,0|2,0,0]=4 5290 B11R1.43 CO[C@@H]1CCN(C1)CC(C)C 269982a_100000766984_100000210624 [0,1,0,1,0,0|2,0,0]=4 5291 B11R1.43 CO[C@@H]1CCN(C1)CC(C)C 270004a_100000766984_100000210432 [0,1,0,1,0,0|2,0,0]=4 5292 B11R1.50 CC(C)N1CC(CC1=O)N[13CH3] 2230a_100000749498_200025704644 [0,1,0,1,0,0|1,0,0]=3 5293 B11R1.50 CC(C)N1CC(CC1=O)N[13CH3] 34a_100000749498_200025704644 [0,1,0,1,0,0|1,0,0]=3 5294 B11R1.50 CNC1CC(=O)N(C1)C(C)C 2230a_100000749498_200000210301 [0,1,0,1,0,0|1,0,0]=3 5295 B11R1.50 CNC1CC(=O)N(C1)C(C)C 34a_100000749498_200000210301 [0,1,0,1,0,0|1,0,0]=3 5296 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210760 [0,1,0,1,0,0|2,0,0]=4 5297 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210624 [0,1,0,1,0,0|2,0,0]=4 5298 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)O)C 270004a_200015306588_100000210432 [0,1,0,1,0,0|2,0,0]=4 5299 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 2230a_100000717927_100000210760 [0,1,0,1,0,0|2,0,0]=4 5300 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000210624 [0,1,0,1,0,0|2,0,0]=4 5301 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 270004a_100000717927_100000210432 [0,1,0,1,0,0|2,0,0]=4 5302 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000210624 [0,1,0,1,0,0|2,0,0]=4 5303 B11R1.157 CC(C)CN1CCOC(C1)C 2230a_100000729577_100000210760 [0,1,0,1,0,0|2,0,0]=4 5304 B11R1.157 CC(C)CN1CCOC(C1)C 269982a_100000729577_100000210624 [0,1,0,1,0,0|2,0,0]=4 5305 B11R1.157 CC(C)CN1CCOC(C1)C 270004a_100000729577_100000210432 [0,1,0,1,0,0|2,0,0]=4 5306 B11R1.157 CC(C)CN1CCOC(C1)C 34a_100000729577_100000210624 [0,1,0,1,0,0|2,0,0]=4 5307 B11R1.198 C#CC(C)NC(=O)CC1CC1 11a_100000707721_100000738066 [0,1,0,1,0,0|1,0,1]=4 5308 B11R1.198 C#CC(C)NC(=O)CC1CC1 1626a_100000707721_100000738066 [0,1,0,1,0,0|1,0,1]=4 5309 B11R1.198 C#CC(C)NC(=O)CC1CC1 240690a_100000707721_100000738066 [0,1,0,1,0,0|1,0,1]=4 5310 B11R1.198 C#CC(C)NC(=O)CC1CC1 527a_100000707721_100000738066 [0,1,0,1,0,0|1,0,1]=4 5311 B11R1.198 C=CC(C)CC(=O)CC1CC1 1458a_100011934298_100000742324 [0,1,0,1,0,0|0,0,1]=3 5312 B11R1.198 C=CC(C)CC(=O)CC1CO1 1458a_100011934298_100011216344 [0,1,0,1,0,0|1,0,1]=4 5313 B11R1.198 C=CC(C)CC(=O)CC1CS1 1458a_100011934298_100000031435 [0,1,0,1,0,0|1,0,1]=4 5314 B11R1.198 C=CC(C)CC(=O)C[C@@H]1CO1 1458a_100011934298_100000745022 [0,1,0,1,0,0|1,0,1]=4 5315 B11R1.198 C=CC(C)CC(=O)NC1CC1 1626a_100000212008_100011934298 [0,1,0,1,0,0|1,0,1]=4 5316 B11R1.198 C=CC(C)CC(=O)NC1CC1 240690a_100000212008_100011934298 [0,1,0,1,0,0|1,0,1]=4 5317 B11R1.198 C=CC(C)CC(=O)NC1CC1 527a_100000212008_100011934298 [0,1,0,1,0,0|1,0,1]=4 5318 B11R1.198 CC(C#N)NC(=O)CC1CC1 11a_100000737613_100000738066 [0,1,0,1,0,0|1,0,1]=4 5319 B11R1.198 CC(C#N)NC(=O)CC1CC1 1626a_100000737613_100000738066 [0,1,0,1,0,0|1,0,1]=4 5320 B11R1.198 CC(C#N)NC(=O)CC1CC1 527a_100000737613_100000738066 [0,1,0,1,0,0|1,0,1]=4 5321 B11R1.198 CCC(=CC(=O)CC1CC1)C 1458a_100020758463_100000742324 [0,1,0,1,0,0|0,0,2]=4 5322 B11R1.198 CCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747405 [0,1,0,1,0,0|1,0,1]=4 5323 B11R1.198 CCC(C)CC(=O)CC1CC1 1458a_100000708755_100000742324 [0,1,0,1,0,0|0,0,0]=2 5324 B11R1.198 CCC(C)CC(=O)CC1CC1 1458a_100000738066_100000748023 [0,1,0,1,0,0|0,0,0]=2 5325 B11R1.198 CCC(C)CC(=O)CC1CO1 1458a_100000708755_100011216344 [0,1,0,1,0,0|1,0,0]=3 5326 B11R1.198 CCC(C)CC(=O)CC1CS1 1458a_100000708755_100000031435 [0,1,0,1,0,0|1,0,0]=3 5327 B11R1.198 CCC(C)CC(=O)C[C@@H]1CO1 1458a_100000708755_100000745022 [0,1,0,1,0,0|1,0,0]=3 5328 B11R1.198 CCC(C)CC(=O)NC1CC1 1626a_100000212008_100000708755 [0,1,0,1,0,0|1,0,0]=3 5329 B11R1.198 CCC(C)CC(=O)NC1CC1 240690a_100000212008_100000708755 [0,1,0,1,0,0|1,0,0]=3 5330 B11R1.198 CCC(C)CC(=O)NC1CC1 527a_100000212008_100000708755 [0,1,0,1,0,0|1,0,0]=3 5331 B11R1.198 CCC(C)CN(C)CC1CC1 2230a_100000741881_100000748023 [0,1,0,1,0,0|2,0,0]=4 5332 B11R1.198 CCC(C)CN(C)CC1CC1 2230a_100000753921_100000742324 [0,1,0,1,0,0|2,0,0]=4 5333 B11R1.198 CCC(C)CN(C)CC1CC1 269982a_100000741881_100000748023 [0,1,0,1,0,0|2,0,0]=4 5334 B11R1.198 CCC(C)CN(C)CC1CC1 269982a_100000753921_100000756562 [0,1,0,1,0,0|2,0,0]=4 5335 B11R1.198 CCC(C)CN(C)CC1CC1 270004a_100000741881_100000243153 [0,1,0,1,0,0|2,0,0]=4 5336 B11R1.198 CCC(C)NC(=O)CC1CC1 11a_100000209981_100000738066 [0,1,0,1,0,0|1,0,0]=3 5337 B11R1.198 CCC(C)NC(=O)CC1CC1 1626a_100000209981_100000738066 [0,1,0,1,0,0|1,0,0]=3 5338 B11R1.198 CCC(C)NC(=O)CC1CC1 240690a_100000209981_100000738066 [0,1,0,1,0,0|1,0,0]=3 5339 B11R1.198 CCC(C)NC(=O)CC1CC1 527a_100000209981_100000738066 [0,1,0,1,0,0|1,0,0]=3 5340 B11R1.198 CCC(C)NC(=O)NC1CC1 2708a_100000209981_100000212008 [0,1,0,1,0,0|2,0,0]=4 5341 B11R1.198 CCC(C)NC(=O)NC1CC1 2708a_100000212008_100000209981 [0,1,0,1,0,0|2,0,0]=4 5342 B11R1.198 CCC(C)NC(=O)NC1CC1 273464a_100000209981_100000212008 [0,1,0,1,0,0|2,0,0]=4 5343 B11R1.198 CCC(C)NC(=O)NC1CC1 273464a_100000212008_100000209981 [0,1,0,1,0,0|2,0,0]=4 5344 B11R1.198 CCC(C)NC(=O)NC1CC1 512a_100000212008_100000209981 [0,1,0,1,0,0|2,0,0]=4 5345 B11R1.198 CCC(O)CC(=O)CC1CC1 1458a_100000738066_100011218378 [0,1,0,1,0,0|1,0,0]=3 5346 B11R1.198 CCC(O)CC(=O)CC1CC1 1458a_100011667805_100000742324 [0,1,0,1,0,0|1,0,0]=3 5347 B11R1.198 CCC(O)CC(=O)CC1CO1 1458a_100011667805_100011216344 [0,1,0,1,0,0|2,0,0]=4 5348 B11R1.198 CCC(O)CC(=O)CC1CS1 1458a_100011667805_100000031435 [0,1,0,1,0,0|2,0,0]=4 5349 B11R1.198 CCC(O)CC(=O)C[C@@H]1CO1 1458a_100011667805_100000745022 [0,1,0,1,0,0|2,0,0]=4 5350 B11R1.198 CCC(O)CC(=O)NC1CC1 1626a_100000212008_100011667805 [0,1,0,1,0,0|2,0,0]=4 5351 B11R1.198 CCC(O)CC(=O)NC1CC1 240690a_100000212008_100011667805 [0,1,0,1,0,0|2,0,0]=4 5352 B11R1.198 CCN(C)CC(=O)CC1CC1 1458a_100116209913_100000742324 [0,1,0,1,0,0|1,0,0]=3 5353 B11R1.198 CCN(C)CC(=O)CC1CO1 1458a_100116209913_100011216344 [0,1,0,1,0,0|2,0,0]=4 5354 B11R1.198 CCN(C)CC(=O)CC1CS1 1458a_100116209913_100000031435 [0,1,0,1,0,0|2,0,0]=4 5355 B11R1.198 CCN(C)CC(=O)C[C@@H]1CO1 1458a_100116209913_100000745022 [0,1,0,1,0,0|2,0,0]=4 5356 B11R1.198 CCN(C)CC(=O)NC1CC1 2230a_100000225621_100000182950 [0,1,0,1,0,0|2,0,0]=4 5357 B11R1.198 CCN(C)CC(=O)NC1CC1 240690a_100000212008_100116209913 [0,1,0,1,0,0|2,0,0]=4 5358 B11R1.198 CCN(C)CC(=O)NC1CC1 269982a_100000225621_100000182950 [0,1,0,1,0,0|2,0,0]=4 5359 B11R1.198 CCN(C)CC(=O)NC1CC1 527a_100000212008_100116209913 [0,1,0,1,0,0|2,0,0]=4 5360 B11R1.198 CC[C@H](C)CC(=O)CC1CC1 1458a_100000738066_100009816398 [0,1,0,1,0,0|0,0,0]=2 5361 B11R1.198 CC[C@H](C)CN(C)CC1CC1 2230a_100000741881_100009816398 [0,1,0,1,0,0|2,0,0]=4 5362 B11R1.198 CC[C@H](C)CN(C)CC1CC1 269982a_100000741881_100009816398 [0,1,0,1,0,0|2,0,0]=4 5363 B11R1.198 CNC(=O)CC(=O)CC1CC1 1458a_100000738066_100000183359 [0,1,0,1,0,0|1,0,1]=4 5364 B11R1.198 COC(=O)CC(=O)CC1CC1 1458a_100000211351_100000742324 [0,1,0,1,0,0|1,0,1]=4 5365 B11R1.198 COC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747449 [0,1,0,1,0,0|1,0,1]=4 5366 B11R1.198 C[C@@H](CO)CC(=O)CC1CC1 1458a_100000738066_100000059175 [0,1,0,1,0,0|0,0,0]=2 5367 B11R1.198 C[C@@H](CO)CN(C)CC1CC1 2230a_100000741881_100000059175 [0,1,0,1,0,0|2,0,0]=4 5368 B11R1.198 C[C@@H](CO)CN(C)CC1CC1 269982a_100000741881_100000059175 [0,1,0,1,0,0|2,0,0]=4 5369 B11R1.198 C[C@H](CF)NC(=O)CC1CC1 11a_100102880703_100000738066 [0,1,0,1,0,0|1,0,0]=3 5370 B11R1.198 C[C@H](CF)NC(=O)CC1CC1 1626a_100102880703_100000738066 [0,1,0,1,0,0|1,0,0]=3 5371 B11R1.198 C[C@H](CF)NC(=O)CC1CC1 240690a_100102880703_100000738066 [0,1,0,1,0,0|1,0,0]=3 5372 B11R1.198 C[C@H](CF)NC(=O)CC1CC1 527a_100102880703_100000738066 [0,1,0,1,0,0|1,0,0]=3 5373 B11R1.198 C[C@H](CF)NC(=O)NC1CC1 2708a_100000212008_100102880703 [0,1,0,1,0,0|2,0,0]=4 5374 B11R1.198 C[C@H](CF)NC(=O)NC1CC1 273464a_100000212008_100102880703 [0,1,0,1,0,0|2,0,0]=4 5375 B11R1.198 C[C@H](CF)NC(=O)NC1CC1 273464a_100102880703_100000212008 [0,1,0,1,0,0|2,0,0]=4 5376 B11R1.198 C[C@H](CF)NC(=O)NC1CC1 512a_100000212008_100102880703 [0,1,0,1,0,0|2,0,0]=4 5377 B11R1.198 C[C@H](CO)NC(=O)CC1CC1 240690a_100000737577_100000738066 [0,1,0,1,0,0|1,0,0]=3 5378 B11R1.198 C[C@H](CO)NC(=O)CC1CC1 527a_100000737577_100000738066 [0,1,0,1,0,0|1,0,0]=3 5379 B11R1.198 C[C@H](CO)NC(=O)NC1CC1 2708a_100000212008_100000737577 [0,1,0,1,0,0|2,0,0]=4 5380 B11R1.198 C[C@H](CO)NC(=O)NC1CC1 273464a_100000737577_100000212008 [0,1,0,1,0,0|2,0,0]=4 5381 B11R1.198 C[C@H](CO)NC(=O)NC1CC1 512a_100000212008_100000737577 [0,1,0,1,0,0|2,0,0]=4 5382 B11R1.225 CCN(C)C1CC(OC1=O)C 2230a_100000225621_200000216747 [0,1,0,1,0,0|2,0,0]=4 5383 B11R1.225 CCN(C)C1CC(OC1=O)C 269982a_100000225621_200000216747 [0,1,0,1,0,0|2,0,0]=4 5384 B11R1.257 C=C(C)CC(=O)C1CC1CC 1458a_200011661523_100000748629 [0,1,0,1,0,0|0,0,2]=4 5385 B11R1.257 CC(C)CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210624 [0,1,0,1,0,0|0,0,1]=3 5386 B11R1.257 CC(C)NC(=O)[C@@H]1C[C@H]1C#N 11a_100138425928_100015294237 [0,1,0,1,0,0|1,0,1]=4 5387 B11R1.257 CC(C)NC(=O)[C@@H]1C[C@H]1C#N 1626a_100138425928_100015294237 [0,1,0,1,0,0|1,0,1]=4 5388 B11R1.257 CC(C)NC(=O)[C@@H]1C[C@H]1C#N 240690a_100138425928_100015294237 [0,1,0,1,0,0|1,0,1]=4 5389 B11R1.257 CC(O)CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100011218427 [0,1,0,1,0,0|1,0,1]=4 5390 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,1,0,1,0,0|0,0,0]=2 5391 B11R1.257 CCC1CC1C(=O)CC(C)O 1458a_200011661523_100011218427 [0,1,0,1,0,0|1,0,0]=3 5392 B11R1.257 CCC1CC1C(=O)CC(F)F 1458a_200011661523_100011934356 [0,1,0,1,0,0|2,0,0]=4 5393 B11R1.257 CCC1CC1C(=O)NC(C)C 11a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 5394 B11R1.257 CCC1CC1C(=O)NC(C)C 1626a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 5395 B11R1.257 CCC1CC1C(=O)NC(C)C 240690a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 5396 B11R1.257 CCC1CC1C(=O)NC(C)C 527a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 5397 B11R1.413 CC(C)CN1CC(C1)(C)CO 2230a_100015203900_100000210760 [0,1,0,1,0,0|2,0,0]=4 5398 B11R1.413 CC(C)CN1CC(C1)(C)CO 269982a_100015203900_100000210624 [0,1,0,1,0,0|2,0,0]=4 5399 B11R1.413 CC(C)CN1CC(C1)(C)CO 270004a_100015203900_100000210432 [0,1,0,1,0,0|2,0,0]=4 5400 B11R1.413 COC1(CN(C1)CC(C)C)C 2230a_100000695453_100000210760 [0,1,0,1,0,0|2,0,0]=4 5401 B11R1.413 COC1(CN(C1)CC(C)C)C 269982a_100000695453_100000210624 [0,1,0,1,0,0|2,0,0]=4 5402 B11R1.413 COC1(CN(C1)CC(C)C)C 270004a_100000695453_100000210432 [0,1,0,1,0,0|2,0,0]=4 5403 B11R1.484 C=C(C)CC(=O)CC1CCC1 1458a_100000763092_100000748629 [0,1,0,1,0,0|0,0,2]=4 5404 B11R1.484 C=C(C)CC(=O)CC1COC1 1458a_100000687760_100000748629 [0,1,0,1,0,0|0,0,2]=4 5405 B11R1.484 CC(=CC(=O)CC1CCC1)C 1458a_100000211388_100000763275 [0,1,0,1,0,0|0,0,2]=4 5406 B11R1.484 CC(=CC(=O)CC1CCO1)C 1458a_100000211388_100000103362 [0,1,0,1,0,0|0,0,2]=4 5407 B11R1.484 CC(=CC(=O)CC1COC1)C 1458a_100000211388_100010264016 [0,1,0,1,0,0|0,0,2]=4 5408 B11R1.484 CC(C)CC(=O)C=C1CCC1 1458a_100000686340_100000210624 [0,1,0,1,0,0|0,0,2]=4 5409 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000210554_100000763275 [0,1,0,1,0,0|0,0,0]=2 5410 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000763092_100000210624 [0,1,0,1,0,0|0,0,0]=2 5411 B11R1.484 CC(C)CC(=O)CC1CCO1 1458a_100000210554_100000103362 [0,1,0,1,0,0|0,0,0]=2 5412 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000210554_100010264016 [0,1,0,1,0,0|0,0,0]=2 5413 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000687760_100000210624 [0,1,0,1,0,0|0,0,0]=2 5414 B11R1.484 CC(C)CC(=O)NC1CCC1 11a_100000749019_100000210554 [0,1,0,1,0,0|1,0,0]=3 5415 B11R1.484 CC(C)CC(=O)NC1CCC1 1626a_100000749019_100000210554 [0,1,0,1,0,0|1,0,0]=3 5416 B11R1.484 CC(C)CC(=O)NC1CCC1 240690a_100000749019_100000210554 [0,1,0,1,0,0|1,0,0]=3 5417 B11R1.484 CC(C)CC(=O)NC1CCC1 527a_100000749019_100000210554 [0,1,0,1,0,0|1,0,0]=3 5418 B11R1.484 CC(C)CC(=O)NC1COC1 11a_100016991112_100000210554 [0,1,0,1,0,0|1,0,0]=3 5419 B11R1.484 CC(C)CC(=O)NC1COC1 1626a_100016991112_100000210554 [0,1,0,1,0,0|1,0,0]=3 5420 B11R1.484 CC(C)CC(=O)NC1COC1 240690a_100016991112_100000210554 [0,1,0,1,0,0|1,0,0]=3 5421 B11R1.484 CC(C)CC(=O)NC1COC1 527a_100016991112_100000210554 [0,1,0,1,0,0|1,0,0]=3 5422 B11R1.484 CC(C)CC(=O)NC1CSC1 11a_100016994217_100000210554 [0,1,0,1,0,0|1,0,0]=3 5423 B11R1.484 CC(C)CC(=O)NC1CSC1 1626a_100016994217_100000210554 [0,1,0,1,0,0|1,0,0]=3 5424 B11R1.484 CC(C)CC(=O)NC1CSC1 240690a_100016994217_100000210554 [0,1,0,1,0,0|1,0,0]=3 5425 B11R1.484 CC(C)CC(=O)NC1CSC1 527a_100016994217_100000210554 [0,1,0,1,0,0|1,0,0]=3 5426 B11R1.484 CC(C)CN(C)CC1CCC1 2230a_100000747067_100000763275 [0,1,0,1,0,0|2,0,0]=4 5427 B11R1.484 CC(C)CN(C)CC1CCC1 2230a_200000750244_100000210760 [0,1,0,1,0,0|2,0,0]=4 5428 B11R1.484 CC(C)CN(C)CC1CCC1 269982a_100000747067_100000763275 [0,1,0,1,0,0|2,0,0]=4 5429 B11R1.484 CC(C)CN(C)CC1CCC1 269982a_200000750244_100000210624 [0,1,0,1,0,0|2,0,0]=4 5430 B11R1.484 CC(C)CN(C)CC1CCC1 270004a_200000750244_100000210432 [0,1,0,1,0,0|2,0,0]=4 5431 B11R1.484 CC(C)CN(C)CC1CCC1 34a_200000750244_100000210624 [0,1,0,1,0,0|2,0,0]=4 5432 B11R1.484 CC(C)CN(C)CC1CCO1 2230a_100000747067_100000103362 [0,1,0,1,0,0|2,0,0]=4 5433 B11R1.484 CC(C)CN(C)CC1CCO1 269982a_100000747067_100000103362 [0,1,0,1,0,0|2,0,0]=4 5434 B11R1.484 CC(C)CN(C)CC1COC1 2230a_100000747067_100010264016 [0,1,0,1,0,0|2,0,0]=4 5435 B11R1.484 CC(C)CN(C)CC1COC1 269982a_100000747067_100010264016 [0,1,0,1,0,0|2,0,0]=4 5436 B11R1.484 CC(C)NC(=O)CC1CCC1 11a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 5437 B11R1.484 CC(C)NC(=O)CC1CCC1 1626a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 5438 B11R1.484 CC(C)NC(=O)CC1CCC1 240690a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 5439 B11R1.484 CC(C)NC(=O)CC1CCC1 527a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 5440 B11R1.484 CC(C)NC(=O)CC1COC1 11a_100138425928_100000687760 [0,1,0,1,0,0|1,0,0]=3 5441 B11R1.484 CC(C)NC(=O)CC1COC1 1626a_100138425928_100000687760 [0,1,0,1,0,0|1,0,0]=3 5442 B11R1.484 CC(C)NC(=O)CN1CCC1 269982a_100000754969_100000183996 [0,1,0,1,0,0|2,0,0]=4 5443 B11R1.484 CC(C)NC(=O)NC1CCC1 2708a_100138425928_100000749019 [0,1,0,1,0,0|2,0,0]=4 5444 B11R1.484 CC(C)NC(=O)NC1CCC1 273464a_100138425928_100000749019 [0,1,0,1,0,0|2,0,0]=4 5445 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100000749019_100138425928 [0,1,0,1,0,0|2,0,0]=4 5446 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100138425928_100000749019 [0,1,0,1,0,0|2,0,0]=4 5447 B11R1.484 CC(C)NC(=O)NC1COC1 2708a_100016991112_100138425928 [0,1,0,1,0,0|2,0,0]=4 5448 B11R1.484 CC(C)NC(=O)NC1COC1 2708a_100138425928_100016991112 [0,1,0,1,0,0|2,0,0]=4 5449 B11R1.484 CC(C)NC(=O)NC1COC1 273464a_100138425928_100016991112 [0,1,0,1,0,0|2,0,0]=4 5450 B11R1.484 CC(C)NC(=O)NC1COC1 512a_100016991112_100138425928 [0,1,0,1,0,0|2,0,0]=4 5451 B11R1.484 CC(C)NC(=O)NC1COC1 512a_100138425928_100016991112 [0,1,0,1,0,0|2,0,0]=4 5452 B11R1.484 CC(C)NC(=O)NC1CSC1 2708a_100016994217_100138425928 [0,1,0,1,0,0|2,0,0]=4 5453 B11R1.484 CC(C)NC(=O)NC1CSC1 2708a_100138425928_100016994217 [0,1,0,1,0,0|2,0,0]=4 5454 B11R1.484 CC(C)NC(=O)NC1CSC1 273464a_100138425928_100016994217 [0,1,0,1,0,0|2,0,0]=4 5455 B11R1.484 CC(C)NC(=O)NC1CSC1 512a_100016994217_100138425928 [0,1,0,1,0,0|2,0,0]=4 5456 B11R1.484 CC(C)NC(=O)NC1CSC1 512a_100138425928_100016994217 [0,1,0,1,0,0|2,0,0]=4 5457 B11R1.484 CC(C)OC(=O)CN1CCC1 269982a_100000754969_100011215430 [0,1,0,1,0,0|2,0,0]=4 5458 B11R1.484 CC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218427 [0,1,0,1,0,0|1,0,0]=3 5459 B11R1.484 CC(O)CC(=O)CC1COC1 1458a_100000687760_100011218427 [0,1,0,1,0,0|1,0,0]=3 5460 B11R1.484 CN(C)CC(=O)CC1CCC1 1458a_100000750896_100000763275 [0,1,0,1,0,0|1,0,0]=3 5461 B11R1.484 CN(C)CC(=O)CC1CCO1 1458a_100000750896_100000103362 [0,1,0,1,0,0|1,0,0]=3 5462 B11R1.484 CN(C)CC(=O)CC1COC1 1458a_100000750896_100010264016 [0,1,0,1,0,0|1,0,0]=3 5463 B11R1.484 CN(C)CC(=O)NC1CCC1 11a_100000749019_100000750896 [0,1,0,1,0,0|2,0,0]=4 5464 B11R1.484 CN(C)CC(=O)NC1CCC1 240690a_100000749019_100000750896 [0,1,0,1,0,0|2,0,0]=4 5465 B11R1.484 CN(C)CC(=O)NC1CCC1 527a_100000749019_100000750896 [0,1,0,1,0,0|2,0,0]=4 5466 B11R1.484 CN(C)CC(=O)NC1COC1 11a_100016991112_100000750896 [0,1,0,1,0,0|2,0,0]=4 5467 B11R1.484 CN(C)CC(=O)NC1COC1 240690a_100016991112_100000750896 [0,1,0,1,0,0|2,0,0]=4 5468 B11R1.484 CN(C)CC(=O)NC1COC1 527a_100016991112_100000750896 [0,1,0,1,0,0|2,0,0]=4 5469 B11R1.484 CN(C)CC(=O)NC1CSC1 11a_100016994217_100000750896 [0,1,0,1,0,0|2,0,0]=4 5470 B11R1.484 CN(C)CC(=O)NC1CSC1 240690a_100016994217_100000750896 [0,1,0,1,0,0|2,0,0]=4 5471 B11R1.484 CN(C)CC(=O)NC1CSC1 527a_100016994217_100000750896 [0,1,0,1,0,0|2,0,0]=4 5472 B11R1.484 C[C@@H](O)CC(=O)CC1CCC1 1458a_100011933948_100000763275 [0,1,0,1,0,0|1,0,0]=3 5473 B11R1.484 C[C@@H](O)CC(=O)CC1CCO1 1458a_100011933948_100000103362 [0,1,0,1,0,0|1,0,0]=3 5474 B11R1.484 C[C@@H](O)CC(=O)CC1COC1 1458a_100011933948_100010264016 [0,1,0,1,0,0|1,0,0]=3 5475 B11R1.484 C[C@@H](O)CC(=O)NC1CCC1 240690a_100000749019_100011933948 [0,1,0,1,0,0|2,0,0]=4 5476 B11R1.484 C[C@@H](O)CC(=O)NC1COC1 240690a_100016991112_100011933948 [0,1,0,1,0,0|2,0,0]=4 5477 B11R1.484 C[C@@H](O)CC(=O)NC1CSC1 240690a_100016994217_100011933948 [0,1,0,1,0,0|2,0,0]=4 5478 B11R1.484 C[S+](C)CC(=O)CC1CCC1 1458a_200159257847_100000763275 [0,1,0,1,0,0|1,0,0]=3 5479 B11R1.484 C[S+](C)CC(=O)CC1CCO1 1458a_200159257847_100000103362 [0,1,0,1,0,0|1,0,0]=3 5480 B11R1.484 C[S+](C)CC(=O)CC1COC1 1458a_200159257847_100010264016 [0,1,0,1,0,0|1,0,0]=3 5481 B11R1.484 C[S+](C)CC(=O)NC1CCC1 11a_100000749019_200159257847 [0,1,0,1,0,0|2,0,0]=4 5482 B11R1.484 C[S+](C)CC(=O)NC1CCC1 1626a_100000749019_200159257847 [0,1,0,1,0,0|2,0,0]=4 5483 B11R1.484 C[S+](C)CC(=O)NC1CCC1 240690a_100000749019_200159257847 [0,1,0,1,0,0|2,0,0]=4 5484 B11R1.484 C[S+](C)CC(=O)NC1CCC1 527a_100000749019_200159257847 [0,1,0,1,0,0|2,0,0]=4 5485 B11R1.484 C[S+](C)CC(=O)NC1COC1 11a_100016991112_200159257847 [0,1,0,1,0,0|2,0,0]=4 5486 B11R1.484 C[S+](C)CC(=O)NC1COC1 1626a_100016991112_200159257847 [0,1,0,1,0,0|2,0,0]=4 5487 B11R1.484 C[S+](C)CC(=O)NC1COC1 240690a_100016991112_200159257847 [0,1,0,1,0,0|2,0,0]=4 5488 B11R1.484 C[S+](C)CC(=O)NC1COC1 527a_100016991112_200159257847 [0,1,0,1,0,0|2,0,0]=4 5489 B11R1.484 C[S+](C)CC(=O)NC1CSC1 11a_100016994217_200159257847 [0,1,0,1,0,0|2,0,0]=4 5490 B11R1.484 C[S+](C)CC(=O)NC1CSC1 1626a_100016994217_200159257847 [0,1,0,1,0,0|2,0,0]=4 5491 B11R1.484 C[S+](C)CC(=O)NC1CSC1 240690a_100016994217_200159257847 [0,1,0,1,0,0|2,0,0]=4 5492 B11R1.484 C[S+](C)CC(=O)NC1CSC1 527a_100016994217_200159257847 [0,1,0,1,0,0|2,0,0]=4 5493 B11R1.484 O=C(CC(F)F)CC1CCC1 1458a_100000763092_100011934356 [0,1,0,1,0,0|2,0,0]=4 5494 B11R1.484 O=C(CC(F)F)CC1COC1 1458a_100000687760_100011934356 [0,1,0,1,0,0|2,0,0]=4 5495 B11R1.815 C#CC(C)NC(=O)C1CC1C 11a_100000707721_100000211227 [0,1,0,1,0,0|1,0,1]=4 5496 B11R1.815 C#CC(C)NC(=O)C1CC1C 1626a_100000707721_100000211227 [0,1,0,1,0,0|1,0,1]=4 5497 B11R1.815 C#CC(C)NC(=O)C1CC1C 527a_100000707721_100000211227 [0,1,0,1,0,0|1,0,1]=4 5498 B11R1.815 CC(C#N)NC(=O)C1CC1C 11a_100000737613_100000211227 [0,1,0,1,0,0|1,0,1]=4 5499 B11R1.815 CC(C#N)NC(=O)C1CC1C 1626a_100000737613_100000211227 [0,1,0,1,0,0|1,0,1]=4 5500 B11R1.815 CC(C#N)NC(=O)C1CC1C 527a_100000737613_100000211227 [0,1,0,1,0,0|1,0,1]=4 5501 B11R1.815 CC1CC1C(=O)C[C@@H](C)CO 1458a_100000211227_100000059175 [0,1,0,1,0,0|0,0,0]=2 5502 B11R1.815 CC1CC1C(=O)N[C@H](C)CF 11a_100102880703_100000211227 [0,1,0,1,0,0|1,0,0]=3 5503 B11R1.815 CC1CC1C(=O)N[C@H](C)CF 1626a_100102880703_100000211227 [0,1,0,1,0,0|1,0,0]=3 5504 B11R1.815 CC1CC1C(=O)N[C@H](C)CF 527a_100102880703_100000211227 [0,1,0,1,0,0|1,0,0]=3 5505 B11R1.815 CC1CC1C(=O)N[C@H](C)CO 527a_100000737577_100000211227 [0,1,0,1,0,0|1,0,0]=3 5506 B11R1.815 CCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747405 [0,1,0,1,0,0|1,0,1]=4 5507 B11R1.815 CCC(C)CC(=O)C1CC1C 1458a_100000211227_100000748023 [0,1,0,1,0,0|0,0,0]=2 5508 B11R1.815 CCC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000748023 [0,1,0,1,0,0|1,0,0]=3 5509 B11R1.815 CCC(C)NC(=O)C1CC1C 11a_100000209981_100000211227 [0,1,0,1,0,0|1,0,0]=3 5510 B11R1.815 CCC(C)NC(=O)C1CC1C 1626a_100000209981_100000211227 [0,1,0,1,0,0|1,0,0]=3 5511 B11R1.815 CCC(C)NC(=O)C1CC1C 527a_100000209981_100000211227 [0,1,0,1,0,0|1,0,0]=3 5512 B11R1.815 CCC(C)NC(=O)[C@@H]1C[C@@H]1F 11a_100000209981_100015396687 [0,1,0,1,0,0|2,0,0]=4 5513 B11R1.815 CCC(C)NC(=O)[C@@H]1C[C@@H]1F 240690a_100000209981_100015396687 [0,1,0,1,0,0|2,0,0]=4 5514 B11R1.815 CCC(C)NC(=O)[C@@H]1C[C@@H]1F 527a_100000209981_100015396687 [0,1,0,1,0,0|2,0,0]=4 5515 B11R1.815 CCC(O)CC(=O)C1CC1C 1458a_100000211227_100011218378 [0,1,0,1,0,0|1,0,0]=3 5516 B11R1.815 CCC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218378 [0,1,0,1,0,0|2,0,0]=4 5517 B11R1.815 CC[C@H](C)CC(=O)C1CC1C 1458a_100000211227_100009816398 [0,1,0,1,0,0|0,0,0]=2 5518 B11R1.815 CC[C@H](C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100009816398 [0,1,0,1,0,0|1,0,0]=3 5519 B11R1.815 CNC(=O)CC(=O)C1CC1C 1458a_100000211227_100000183359 [0,1,0,1,0,0|1,0,1]=4 5520 B11R1.815 COC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747449 [0,1,0,1,0,0|1,0,1]=4 5521 B11R1.815 C[C@@H](CO)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000059175 [0,1,0,1,0,0|1,0,0]=3 5522 B11R1.815 C[C@H](CF)NC(=O)[C@@H]1C[C@@H]1F 11a_100102880703_100015396687 [0,1,0,1,0,0|2,0,0]=4 5523 B11R1.815 C[C@H](CF)NC(=O)[C@@H]1C[C@@H]1F 240690a_100102880703_100015396687 [0,1,0,1,0,0|2,0,0]=4 5524 B11R1.815 C[C@H](CF)NC(=O)[C@@H]1C[C@@H]1F 527a_100102880703_100015396687 [0,1,0,1,0,0|2,0,0]=4 5525 B11R1.815 C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1F 240690a_100000737577_100015396687 [0,1,0,1,0,0|2,0,0]=4 5526 B11R1.815 C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1F 527a_100000737577_100015396687 [0,1,0,1,0,0|2,0,0]=4 5527 B11R1.897 CCC(C)CN1CC(C1)(C)C 2230a_100000753659_100000748023 [0,1,0,1,0,0|2,0,0]=4 5528 B11R1.897 CCC(C)CN1CC(C1)(C)C 269982a_100000753659_100000748023 [0,1,0,1,0,0|2,0,0]=4 5529 B11R1.897 CCC(C)CN1CC(C1)(C)C 270004a_100000753659_100000243153 [0,1,0,1,0,0|2,0,0]=4 5530 B11R1.897 CC[C@H](C)CN1CC(C1)(C)C 2230a_100000753659_100009816398 [0,1,0,1,0,0|2,0,0]=4 5531 B11R1.897 CC[C@H](C)CN1CC(C1)(C)C 269982a_100000753659_100009816398 [0,1,0,1,0,0|2,0,0]=4 5532 B11R1.897 C[C@@H](CO)CN1CC(C1)(C)C 2230a_100000753659_100000059175 [0,1,0,1,0,0|2,0,0]=4 5533 B11R1.897 C[C@@H](CO)CN1CC(C1)(C)C 269982a_100000753659_100000059175 [0,1,0,1,0,0|2,0,0]=4 5534 B11R1.1032 CCN(CC(C)C)CC1CC1 2230a_100000738554_100000742324 [0,1,0,1,0,0|2,0,0]=4 5535 B11R1.1032 CCN(CC(C)C)CC1CC1 269982a_100000738554_100000756562 [0,1,0,1,0,0|2,0,0]=4 5536 B11R1.726 CC(C)CS(=O)(=O)NC1CC1 270084a_100000212008_100000748289 [0,1,0,1,0,0|2,0,0]=4 5537 B11R1.726 CC(C)CS(=O)(=O)NC1CC1 274078a_100000212008_100000748289 [0,1,0,1,0,0|2,0,0]=4 5538 B11R2.351 C[C@@H]1CCN(C1)CC2CC2 2230a_100016987628_100000742324 [0,0,0,2,0,0|2,0,0]=4 5539 B11R2.351 C[C@@H]1CCN(C1)CC2CC2 269982a_100016987628_100000756562 [0,0,0,2,0,0|2,0,0]=4 5540 B11R2.351 C[C@@H]1CCN(C1)CC2CC2 34a_100016987628_100000742324 [0,0,0,2,0,0|2,0,0]=4 5541 B11R2.934 CC(C)CN1CC2CC2C1 2230a_100000741873_100000210760 [0,0,0,2,0,0|2,0,0]=4 5542 B11R2.934 CC(C)CN1CC2CC2C1 269982a_100000741873_100000210624 [0,0,0,2,0,0|2,0,0]=4 5543 B11R2.934 CC(C)CN1CC2CC2C1 270004a_100000741873_100000210432 [0,0,0,2,0,0|2,0,0]=4 5544 B11R2.934 CC(C)CN1CC2CC2C1 34a_100000741873_100000210624 [0,0,0,2,0,0|2,0,0]=4 5545 B11R2.455 CC1CC1C(=O)CC2CC2 1458a_100000211227_100000742324 [0,0,0,2,0,0|0,0,0]=2 5546 B11R2.455 CC1CC1C(=O)CC2CO2 1458a_100000211227_100011216344 [0,0,0,2,0,0|1,0,0]=3 5547 B11R2.455 CC1CC1C(=O)CC2CS2 1458a_100000211227_100000031435 [0,0,0,2,0,0|1,0,0]=3 5548 B11R2.455 CC1CC1C(=O)C[C@@H]2CO2 1458a_100000211227_100000745022 [0,0,0,2,0,0|1,0,0]=3 5549 B11R2.455 CC1CC1C(=O)NC2CC2 1626a_100000212008_100000211227 [0,0,0,2,0,0|1,0,0]=3 5550 B11R2.455 CC1CC1C(=O)NC2CC2 527a_100000212008_100000211227 [0,0,0,2,0,0|1,0,0]=3 5551 B11R2.455 O=C(CC1CC1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000742324 [0,0,0,2,0,0|1,0,0]=3 5552 B11R2.455 O=C(CC1CO1)[C@@H]2C[C@@H]2F 1458a_100015396687_100011216344 [0,0,0,2,0,0|2,0,0]=4 5553 B11R2.455 O=C(CC1CS1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000031435 [0,0,0,2,0,0|2,0,0]=4 5554 B11R2.455 O=C(C[C@@H]1CO1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000745022 [0,0,0,2,0,0|2,0,0]=4 5555 B11R2.455 O=C(NC1CC1)[C@@H]2C[C@@H]2F 240690a_100000212008_100015396687 [0,0,0,2,0,0|2,0,0]=4 5556 B11R2.455 O=C(NC1CC1)[C@@H]2C[C@@H]2F 527a_100000212008_100015396687 [0,0,0,2,0,0|2,0,0]=4 5557 B11R2.377 CC1(CN(C1)CC2CC2)C 2230a_100000753659_100000742324 [0,0,0,2,0,0|2,0,0]=4 5558 B11R2.377 CC1(CN(C1)CC2CC2)C 269982a_100000753659_100000756562 [0,0,0,2,0,0|2,0,0]=4 5559 B11R2.1862 CC(C)CN1CC2(C1)CC2 2230a_100015196877_100000210760 [0,0,0,2,0,0|2,0,0]=4 5560 B11R2.1862 CC(C)CN1CC2(C1)CC2 269982a_100015196877_100000210624 [0,0,0,2,0,0|2,0,0]=4 5561 B11R2.1862 CC(C)CN1CC2(C1)CC2 270004a_100015196877_100000210432 [0,0,0,2,0,0|2,0,0]=4 5562 B11R2.1862 CC(C)CN1CC2(C1)CC2 34a_100015196877_100000210624 [0,0,0,2,0,0|2,0,0]=4 5563 B11R2.1892 CN(CC1CC1)CC2CC2 2230a_100000741881_100000742324 [0,0,0,2,0,0|2,0,0]=4 5564 B11R2.1892 CN(CC1CC1)CC2CC2 269982a_100000741881_100000756562 [0,0,0,2,0,0|2,0,0]=4 5565 B11R2.1892 O=C(CC1CC1)CC2CC2 1458a_100000738066_100000742324 [0,0,0,2,0,0|0,0,0]=2 5566 B11R2.1892 O=C(CC1CC1)CC2CO2 1458a_100000738066_100011216344 [0,0,0,2,0,0|1,0,0]=3 5567 B11R2.1892 O=C(CC1CC1)CC2CS2 1458a_100000738066_100000031435 [0,0,0,2,0,0|1,0,0]=3 5568 B11R2.1892 O=C(CC1CC1)C[C@@H]2CO2 1458a_100000738066_100000745022 [0,0,0,2,0,0|1,0,0]=3 5569 B11R2.1892 O=C(CC1CC1)NC2CC2 1626a_100000212008_100000738066 [0,0,0,2,0,0|1,0,0]=3 5570 B11R2.1892 O=C(CC1CC1)NC2CC2 240690a_100000212008_100000738066 [0,0,0,2,0,0|1,0,0]=3 5571 B11R2.1892 O=C(CC1CC1)NC2CC2 527a_100000212008_100000738066 [0,0,0,2,0,0|1,0,0]=3 5572 B11R2.1892 O=C(NC1CC1)NC2CC2 2708a_100000212008_100000212008 [0,0,0,2,0,0|2,0,0]=4 5573 B11R2.1892 O=C(NC1CC1)NC2CC2 273464a_100000212008_100000212008 [0,0,0,2,0,0|2,0,0]=4 5574 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,0,0,0,1,0|0,0,2]=4 5575 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,0,0,0,1,0|0,0,2]=4 5576 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,0,0,1,0|0,0,2]=4 5577 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,0,0,0,1,0|0,0,2]=4 5578 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,0,0,0,1,0|0,0,2]=4 5579 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,0,0,0,1,0|0,0,2]=4 5580 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,0,0,0,1,0|1,0,1]=4 5581 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,0,0,0,1,0|1,0,1]=4 5582 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,0,0,0,1,0|1,0,0]=3 5583 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,0,0,0,1,0|1,0,0]=3 5584 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,0,0,0,1,0|1,0,0]=3 5585 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,0,0,0,1,0|1,0,0]=3 5586 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,0,0,0,1,0|1,0,0]=3 5587 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,0,0,0,1,0|2,0,0]=4 5588 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,0,0,0,1,0|2,0,0]=4 5589 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,0,0,0,1,0|0,0,2]=4 5590 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,1,0|0,0,0]=2 5591 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,1,0|0,0,0]=2 5592 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,1,0|1,0,0]=3 5593 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,0,0,0,1,0|2,0,0]=4 5594 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,1,0|1,0,0]=3 5595 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,1,0|1,0,0]=3 5596 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,1,0|1,0,0]=3 5597 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,1,0|1,0,0]=3 5598 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,1,0|1,0,0]=3 5599 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,1,0|1,0,0]=3 5600 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,0,0,0,1,0|2,0,0]=4 5601 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,0,0,0,1,0|2,0,0]=4 5602 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,0,0,0,1,0|2,0,0]=4 5603 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,0,0,0,1,0|2,0,0]=4 5604 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,0,0,0,1,0|2,0,0]=4 5605 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,0,0,0,1,0|2,0,0]=4 5606 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,0,0,0,1,0|2,0,0]=4 5607 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,0,0,0,1,0|1,0,0]=3 5608 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,0,0,0,1,0|1,0,0]=3 5609 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,0,0,0,1,0|1,0,0]=3 5610 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,0,0,0,1,0|2,0,0]=4 5611 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,0,0,0,1,0|2,0,0]=4 5612 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,0,0,0,1,0|2,0,0]=4 5613 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,0,0,0,1,0|2,0,0]=4 5614 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,1,0|2,0,0]=4 5615 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,1,0|2,0,0]=4 5616 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,0,0,0,1,0|2,0,0]=4 5617 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,0,0,0,1,0|2,0,0]=4 5618 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,0,0,0,1,0|2,0,0]=4 5619 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,0,0,0,1,0|2,0,0]=4 5620 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,0,0,0,1,0|1,0,0]=3 5621 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,0,0,0,1,0|1,0,0]=3 5622 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,0,0,0,1,0|1,0,0]=3 5623 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,0,0,0,1,0|2,0,0]=4 5624 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,0,0,0,1,0|2,0,0]=4 5625 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,0,0,0,1,0|2,0,0]=4 5626 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,0,0,0,1,0|2,0,0]=4 5627 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,0,0,0,1,0|2,0,0]=4 5628 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,0,0,0,1,0|1,0,0]=3 5629 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,0,0,0,1,0|1,0,0]=3 5630 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,0,0,0,1,0|2,0,0]=4 5631 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,0,0,0,1,0|2,0,0]=4 5632 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,0,0,0,1,0|2,0,0]=4 5633 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,0,0,0,1,0|2,0,0]=4 5634 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,0,0,0,1,0|2,0,0]=4 5635 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,0,0,0,1,0|1,0,0]=3 5636 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,0,0,0,1,0|1,0,0]=3 5637 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,0,0,0,1,0|1,0,0]=3 5638 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,0,0,0,1,0|2,0,0]=4 5639 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,0,0,0,1,0|2,0,0]=4 5640 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,0,0,0,1,0|2,0,0]=4 5641 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,0,0,0,1,0|2,0,0]=4 5642 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,0,0,0,1,0|2,0,0]=4 5643 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,0,0,0,1,0|2,0,0]=4 5644 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,0,0,0,1,0|2,0,0]=4 5645 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,0,0,1,0|2,0,0]=4 5646 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,0,0,0,1,0|2,0,0]=4 5647 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,0,0,1,0|2,0,0]=4 5648 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [1,0,0,0,1,0|1,0,1]=4 5649 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [1,0,0,0,1,0|1,0,1]=4 5650 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,1,0|1,0,1]=4 5651 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,1,0|1,0,1]=4 5652 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [1,0,0,0,1,0|2,0,0]=4 5653 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,1,0|1,0,1]=4 5654 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,0,0,0,1,0|1,0,0]=3 5655 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,0,0,0,1,0|1,0,0]=3 5656 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,0,0,0,1,0|1,0,0]=3 5657 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,0,0,0,1,0|1,0,0]=3 5658 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,0,0,0,1,0|1,0,0]=3 5659 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,0,0,0,1,0|1,0,0]=3 5660 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [1,0,0,0,1,0|1,0,0]=3 5661 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [1,0,0,0,1,0|1,0,0]=3 5662 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [1,0,0,0,1,0|1,0,0]=3 5663 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [1,0,0,0,1,0|1,0,0]=3 5664 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,0,0,0,1,0|1,0,0]=3 5665 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,0,0,0,1,0|1,0,0]=3 5666 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [1,0,0,0,1,0|1,0,0]=3 5667 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [1,0,0,0,1,0|1,0,0]=3 5668 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [1,0,0,0,1,0|2,0,0]=4 5669 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [1,0,0,0,1,0|2,0,0]=4 5670 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [1,0,0,0,1,0|2,0,0]=4 5671 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [1,0,0,0,1,0|2,0,0]=4 5672 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [1,0,0,0,1,0|2,0,0]=4 5673 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [1,0,0,0,1,0|2,0,0]=4 5674 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,0,0,0,1,0|2,0,0]=4 5675 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [1,0,0,0,1,0|2,0,0]=4 5676 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [1,0,0,0,1,0|2,0,0]=4 5677 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [1,0,0,0,1,0|2,0,0]=4 5678 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,0,0,0,1,0|2,0,0]=4 5679 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,0,0,0,1,0|2,0,0]=4 5680 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [1,0,0,0,1,0|2,0,0]=4 5681 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [1,0,0,0,1,0|2,0,0]=4 5682 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [1,0,0,0,1,0|2,0,0]=4 5683 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [1,0,0,0,1,0|2,0,0]=4 5684 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,0,0,0,1,0|2,0,0]=4 5685 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [1,0,0,0,1,0|2,0,0]=4 5686 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [1,0,0,0,1,0|2,0,0]=4 5687 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [1,0,0,0,1,0|2,0,0]=4 5688 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [1,0,0,0,1,0|2,0,0]=4 5689 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [1,0,0,0,1,0|2,0,0]=4 5690 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,0,0,0,2,0|0,0,2]=4 5691 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,0,0,0,2,0|0,0,0]=2 5692 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,0,0,0,2,0|1,0,0]=3 5693 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,0,0,0,2,0|2,0,0]=4 5694 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,0,0,0,2,0|1,0,0]=3 5695 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,0,0,0,2,0|1,0,0]=3 5696 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,0,0,0,2,0|1,0,0]=3 5697 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,0,0,0,2,0|1,0,0]=3 5698 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,0,0,0,2,0|1,0,0]=3 5699 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,0,0,0,2,0|1,0,0]=3 5700 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [0,0,0,0,2,0|2,0,0]=4 5701 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [0,0,0,0,2,0|2,0,0]=4 5702 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [0,0,0,0,2,0|2,0,0]=4 5703 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [0,0,0,0,2,0|2,0,0]=4 5704 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [0,0,0,0,2,0|2,0,0]=4 5705 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [0,0,0,0,2,0|2,0,0]=4 5706 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [0,0,0,0,2,0|2,0,0]=4 5707 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,0,0,0,2,0|2,0,0]=4 5708 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,0,0,0,2,0|2,0,0]=4 5709 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,0,0,0,2,0|2,0,0]=4 5710 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,0,0,0,2,0|2,0,0]=4 5711 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,0,0,0,2,0|2,0,0]=4 5712 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,0,0,0,2,0|2,0,0]=4 5713 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,0,0,0,2,0|2,0,0]=4 5714 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [1,0,0,0,0,1|0,0,2]=4 5715 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [1,0,0,0,0,1|0,0,2]=4 5716 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [1,0,0,0,0,1|0,0,2]=4 5717 B9R0.48 C#CCC(=O)CSC(C)C 1458a_100000241585_100000184674 [1,0,0,0,0,1|0,0,2]=4 5718 B9R0.48 C#CCC(=O)NCC(C)C 1626a_100000210953_100011220946 [1,0,0,0,0,1|0,0,2]=4 5719 B9R0.48 C#CCC(=O)NCC(C)C 527a_100000210953_100011220946 [1,0,0,0,0,1|0,0,2]=4 5720 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,0,0,0,0,1|0,0,2]=4 5721 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,0,0,0,0,1|0,0,2]=4 5722 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [1,0,0,0,0,1|0,0,2]=4 5723 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [1,0,0,0,0,1|0,0,2]=4 5724 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [1,0,0,0,0,1|0,0,2]=4 5725 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [1,0,0,0,0,1|0,0,2]=4 5726 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [1,0,0,0,0,1|0,0,2]=4 5727 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [1,0,0,0,0,1|0,0,2]=4 5728 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [1,0,0,0,0,1|0,0,2]=4 5729 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [1,0,0,0,0,1|0,0,2]=4 5730 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [1,0,0,0,0,1|0,0,2]=4 5731 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [1,0,0,0,0,1|0,0,2]=4 5732 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [1,0,0,0,0,1|0,0,2]=4 5733 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [1,0,0,0,0,1|0,0,2]=4 5734 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [1,0,0,0,0,1|0,0,2]=4 5735 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [1,0,0,0,0,1|1,0,1]=4 5736 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [1,0,0,0,0,1|1,0,1]=4 5737 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [1,0,0,0,0,1|1,0,1]=4 5738 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [1,0,0,0,0,1|1,0,1]=4 5739 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [1,0,0,0,0,1|1,0,1]=4 5740 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [1,0,0,0,0,1|1,0,1]=4 5741 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [1,0,0,0,0,1|1,0,1]=4 5742 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [1,0,0,0,0,1|1,0,0]=3 5743 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [1,0,0,0,0,1|1,0,0]=3 5744 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [1,0,0,0,0,1|1,0,0]=3 5745 B9R0.48 CC(C)CNC(=O)CC#N 1626a_100000210953_100051588842 [1,0,0,0,0,1|1,0,1]=4 5746 B9R0.48 CC(C)CNC(=O)CC#N 240690a_100000210953_100051588842 [1,0,0,0,0,1|1,0,1]=4 5747 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [1,0,0,0,0,1|1,0,0]=3 5748 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [1,0,0,0,0,1|1,0,0]=3 5749 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [1,0,0,0,0,1|1,0,0]=3 5750 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [1,0,0,0,0,1|2,0,0]=4 5751 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [1,0,0,0,0,1|2,0,0]=4 5752 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [1,0,0,0,0,1|2,0,0]=4 5753 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [1,0,0,0,0,1|1,0,1]=4 5754 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [1,0,0,0,0,1|1,0,0]=3 5755 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [1,0,0,0,0,1|1,0,0]=3 5756 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [1,0,0,0,0,1|2,0,0]=4 5757 B9R0.48 CC(C)SCC(=O)CC#N 1458a_100000241585_100011214920 [1,0,0,0,0,1|1,0,1]=4 5758 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [1,0,0,0,0,1|1,0,0]=3 5759 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [1,0,0,0,0,1|1,0,0]=3 5760 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [1,0,0,0,0,1|2,0,0]=4 5761 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [1,0,0,0,0,1|2,0,0]=4 5762 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [1,0,0,0,0,1|2,0,0]=4 5763 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [1,0,0,0,0,1|2,0,0]=4 5764 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [1,0,0,0,0,1|0,0,2]=4 5765 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [1,0,0,0,0,1|0,0,2]=4 5766 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [1,0,0,0,0,1|0,0,2]=4 5767 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [1,0,0,0,0,1|0,0,2]=4 5768 B9R0.48 CCCC(=NNC(C)C)C 4a_100000741168_100000211909 [1,0,0,0,0,1|2,0,0]=4 5769 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [1,0,0,0,0,1|0,0,1]=3 5770 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [1,0,0,0,0,1|0,0,1]=3 5771 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [1,0,0,0,0,1|0,0,1]=3 5772 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,0,0,0,0,1|0,0,0]=2 5773 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,0,0,0,0,1|0,0,0]=2 5774 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,0,0,0,0,1|1,0,0]=3 5775 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [1,0,0,0,0,1|1,0,0]=3 5776 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [1,0,0,0,0,1|1,0,1]=4 5777 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,0,0,0,0,1|0,0,0]=2 5778 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [1,0,0,0,0,1|1,0,1]=4 5779 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,0,0,0,0,1|0,0,0]=2 5780 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [1,0,0,0,0,1|2,0,0]=4 5781 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [1,0,0,0,0,1|1,0,1]=4 5782 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,0,0,0,0,1|0,0,0]=2 5783 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,0,0,0,0,1|0,0,0]=2 5784 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,0,0,0,0,1|0,0,0]=2 5785 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [1,0,0,0,0,1|2,0,0]=4 5786 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [1,0,0,0,0,1|0,0,0]=2 5787 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [1,0,0,0,0,1|0,0,0]=2 5788 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [1,0,0,0,0,1|0,0,0]=2 5789 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [1,0,0,0,0,1|0,0,0]=2 5790 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [1,0,0,0,0,1|1,0,0]=3 5791 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [1,0,0,0,0,1|1,0,0]=3 5792 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [1,0,0,0,0,1|1,0,0]=3 5793 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [1,0,0,0,0,1|2,0,0]=4 5794 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [1,0,0,0,0,1|2,0,0]=4 5795 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [1,0,0,0,0,1|2,0,0]=4 5796 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [1,0,0,0,0,1|2,0,0]=4 5797 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [1,0,0,0,0,1|1,0,0]=3 5798 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [1,0,0,0,0,1|1,0,1]=4 5799 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [1,0,0,0,0,1|1,0,0]=3 5800 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [1,0,0,0,0,1|1,0,0]=3 5801 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [1,0,0,0,0,1|1,0,1]=4 5802 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [1,0,0,0,0,1|1,0,1]=4 5803 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [1,0,0,0,0,1|1,0,1]=4 5804 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [1,0,0,0,0,1|1,0,1]=4 5805 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [1,0,0,0,0,1|1,0,1]=4 5806 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [1,0,0,0,0,1|1,0,1]=4 5807 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [1,0,0,0,0,1|1,0,1]=4 5808 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [1,0,0,0,0,1|1,0,1]=4 5809 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [1,0,0,0,0,1|1,0,1]=4 5810 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [1,0,0,0,0,1|1,0,1]=4 5811 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [1,0,0,0,0,1|1,0,1]=4 5812 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [1,0,0,0,0,1|1,0,1]=4 5813 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [1,0,0,0,0,1|1,0,1]=4 5814 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [1,0,0,0,0,1|1,0,1]=4 5815 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [1,0,0,0,0,1|1,0,1]=4 5816 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [1,0,0,0,0,1|1,0,1]=4 5817 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [1,0,0,0,0,1|1,0,1]=4 5818 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [1,0,0,0,0,1|2,0,0]=4 5819 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [1,0,0,0,0,1|2,0,0]=4 5820 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [1,0,0,0,0,1|2,0,0]=4 5821 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [1,0,0,0,0,1|2,0,0]=4 5822 B9R0.48 CCCN(C)COC(C)C 2230a_100000747261_100000709892 [1,0,0,0,0,1|2,0,0]=4 5823 B9R0.48 CCCN(C)COC(C)C 269982a_100000747261_100000709892 [1,0,0,0,0,1|2,0,0]=4 5824 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [1,0,0,0,0,1|1,0,1]=4 5825 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [1,0,0,0,0,1|1,0,1]=4 5826 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [1,0,0,0,0,1|1,0,1]=4 5827 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [1,0,0,0,0,1|1,0,1]=4 5828 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [1,0,0,0,0,1|1,0,1]=4 5829 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [1,0,0,0,0,1|1,0,1]=4 5830 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,0,0,0,0,1|1,0,0]=3 5831 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,0,0,0,0,1|1,0,0]=3 5832 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,0,0,0,0,1|1,0,0]=3 5833 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [1,0,0,0,0,1|2,0,0]=4 5834 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [1,0,0,0,0,1|2,0,0]=4 5835 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [1,0,0,0,0,1|2,0,0]=4 5836 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [1,0,0,0,0,1|2,0,0]=4 5837 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [1,0,0,0,0,1|2,0,0]=4 5838 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [1,0,0,0,0,1|2,0,0]=4 5839 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [1,0,0,0,0,1|2,0,0]=4 5840 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [1,0,0,0,0,1|1,0,0]=3 5841 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [1,0,0,0,0,1|1,0,0]=3 5842 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [1,0,0,0,0,1|1,0,0]=3 5843 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [1,0,0,0,0,1|1,0,0]=3 5844 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [1,0,0,0,0,1|1,0,0]=3 5845 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [1,0,0,0,0,1|1,0,0]=3 5846 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [1,0,0,0,0,1|1,0,0]=3 5847 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [1,0,0,0,0,1|1,0,0]=3 5848 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [1,0,0,0,0,1|1,0,0]=3 5849 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [1,0,0,0,0,1|1,0,0]=3 5850 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [1,0,0,0,0,1|1,0,0]=3 5851 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [1,0,0,0,0,1|1,0,0]=3 5852 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [1,0,0,0,0,1|1,0,0]=3 5853 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [1,0,0,0,0,1|1,0,0]=3 5854 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [1,0,0,0,0,1|1,0,0]=3 5855 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [1,0,0,0,0,1|1,0,0]=3 5856 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [1,0,0,0,0,1|1,0,0]=3 5857 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [1,0,0,0,0,1|1,0,0]=3 5858 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [1,0,0,0,0,1|2,0,0]=4 5859 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [1,0,0,0,0,1|2,0,0]=4 5860 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [1,0,0,0,0,1|2,0,0]=4 5861 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [1,0,0,0,0,1|2,0,0]=4 5862 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [1,0,0,0,0,1|2,0,0]=4 5863 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [1,0,0,0,0,1|2,0,0]=4 5864 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [1,0,0,0,0,1|2,0,0]=4 5865 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [1,0,0,0,0,1|2,0,0]=4 5866 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [1,0,0,0,0,1|2,0,0]=4 5867 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [1,0,0,0,0,1|2,0,0]=4 5868 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [1,0,0,0,0,1|2,0,0]=4 5869 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [1,0,0,0,0,1|2,0,0]=4 5870 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [1,0,0,0,0,1|2,0,0]=4 5871 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [1,0,0,0,0,1|2,0,0]=4 5872 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [1,0,0,0,0,1|1,0,0]=3 5873 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [1,0,0,0,0,1|1,0,0]=3 5874 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [1,0,0,0,0,1|1,0,0]=3 5875 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [1,0,0,0,0,1|1,0,0]=3 5876 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [1,0,0,0,0,1|1,0,0]=3 5877 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [1,0,0,0,0,1|1,0,0]=3 5878 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [1,0,0,0,0,1|1,0,0]=3 5879 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [1,0,0,0,0,1|1,0,0]=3 5880 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [1,0,0,0,0,1|2,0,0]=4 5881 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [1,0,0,0,0,1|2,0,0]=4 5882 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [1,0,0,0,0,1|2,0,0]=4 5883 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [1,0,0,0,0,1|2,0,0]=4 5884 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [1,0,0,0,0,1|2,0,0]=4 5885 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [1,0,0,0,0,1|2,0,0]=4 5886 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [1,0,0,0,0,1|1,0,1]=4 5887 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [1,0,0,0,0,1|1,0,0]=3 5888 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,0,0,0,0,1|2,0,0]=4 5889 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [1,0,0,0,0,1|1,0,0]=3 5890 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [1,0,0,0,0,1|1,0,0]=3 5891 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [1,0,0,0,0,1|1,0,0]=3 5892 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [1,0,0,0,0,1|1,0,0]=3 5893 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [1,0,0,0,0,1|1,0,0]=3 5894 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [1,0,0,0,0,1|2,0,0]=4 5895 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [1,0,0,0,0,1|2,0,0]=4 5896 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [1,0,0,0,0,1|2,0,0]=4 5897 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [1,0,0,0,0,1|2,0,0]=4 5898 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [1,0,0,0,0,1|1,0,1]=4 5899 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [1,0,0,0,0,1|1,0,0]=3 5900 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,0,0,0,0,1|2,0,0]=4 5901 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [1,0,0,0,0,1|1,0,0]=3 5902 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [1,0,0,0,0,1|1,0,0]=3 5903 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [1,0,0,0,0,1|1,0,0]=3 5904 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [1,0,0,0,0,1|1,0,0]=3 5905 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [1,0,0,0,0,1|1,0,0]=3 5906 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [1,0,0,0,0,1|1,0,0]=3 5907 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [1,0,0,0,0,1|2,0,0]=4 5908 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [1,0,0,0,0,1|2,0,0]=4 5909 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [1,0,0,0,0,1|2,0,0]=4 5910 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [1,0,0,0,0,1|2,0,0]=4 5911 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [1,0,0,0,0,1|2,0,0]=4 5912 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [1,0,0,0,0,1|2,0,0]=4 5913 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [1,0,0,0,0,1|1,0,1]=4 5914 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [1,0,0,0,0,1|1,0,1]=4 5915 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [1,0,0,0,0,1|1,0,1]=4 5916 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [1,0,0,0,0,1|1,0,1]=4 5917 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [1,0,0,0,0,1|1,0,1]=4 5918 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [1,0,0,0,0,1|1,0,1]=4 5919 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [1,0,0,0,0,1|1,0,1]=4 5920 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [1,0,0,0,0,1|1,0,1]=4 5921 B9R0.55 CC(Br)COCOC(C)C 34a_100012180447_100000709892 [1,0,0,0,0,1|2,0,0]=4 5922 B9R0.55 CC(C)CC=NNC(C)C 4a_100000741168_100000185833 [1,0,0,0,0,1|1,0,0]=3 5923 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [1,0,0,0,0,1|1,0,1]=4 5924 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [1,0,0,0,0,1|1,0,1]=4 5925 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [1,0,0,0,0,1|0,0,1]=3 5926 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [1,0,0,0,0,1|0,0,1]=3 5927 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [1,0,0,0,0,1|0,0,1]=3 5928 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [1,0,0,0,0,1|0,0,1]=3 5929 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [1,0,0,0,0,1|0,0,1]=3 5930 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [1,0,0,0,0,1|0,0,1]=3 5931 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [1,0,0,0,0,1|0,0,1]=3 5932 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [1,0,0,0,0,1|0,0,1]=3 5933 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [1,0,0,0,0,1|0,0,1]=3 5934 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [1,0,0,0,0,1|0,0,1]=3 5935 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [1,0,0,0,0,1|0,0,1]=3 5936 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [1,0,0,0,0,1|0,0,1]=3 5937 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [1,0,0,0,0,1|0,0,1]=3 5938 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [1,0,0,0,0,1|1,0,1]=4 5939 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [1,0,0,0,0,1|1,0,1]=4 5940 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [1,0,0,0,0,1|1,0,1]=4 5941 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [1,0,0,0,0,1|1,0,1]=4 5942 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [1,0,0,0,0,1|0,0,1]=3 5943 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [1,0,0,0,0,1|0,0,1]=3 5944 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [1,0,0,0,0,1|0,0,1]=3 5945 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [1,0,0,0,0,1|1,0,1]=4 5946 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [1,0,0,0,0,1|1,0,1]=4 5947 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [1,0,0,0,0,1|1,0,1]=4 5948 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [1,0,0,0,0,1|1,0,1]=4 5949 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [1,0,0,0,0,1|1,0,1]=4 5950 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [1,0,0,0,0,1|1,0,1]=4 5951 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [1,0,0,0,0,1|1,0,1]=4 5952 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [1,0,0,0,0,1|0,0,1]=3 5953 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [1,0,0,0,0,1|0,0,1]=3 5954 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [1,0,0,0,0,1|1,0,1]=4 5955 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [1,0,0,0,0,1|1,0,1]=4 5956 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [1,0,0,0,0,1|1,0,1]=4 5957 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [1,0,0,0,0,1|1,0,1]=4 5958 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [1,0,0,0,0,1|1,0,1]=4 5959 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [1,0,0,0,0,1|1,0,1]=4 5960 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [1,0,0,0,0,1|1,0,1]=4 5961 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [1,0,0,0,0,1|1,0,1]=4 5962 B9R0.55 CC(C)CNCCN(C)C 270004a_100000210585_100000210432 [1,0,0,0,0,1|1,0,1]=4 5963 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [1,0,0,0,0,1|1,0,0]=3 5964 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [1,0,0,0,0,1|1,0,0]=3 5965 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [1,0,0,0,0,1|1,0,1]=4 5966 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [1,0,0,0,0,1|1,0,1]=4 5967 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [1,0,0,0,0,1|1,0,1]=4 5968 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [1,0,0,0,0,1|1,0,0]=3 5969 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [1,0,0,0,0,1|1,0,1]=4 5970 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [1,0,0,0,0,1|1,0,1]=4 5971 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [1,0,0,0,0,1|1,0,1]=4 5972 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [1,0,0,0,0,1|1,0,0]=3 5973 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [1,0,0,0,0,1|1,0,0]=3 5974 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [1,0,0,0,0,1|1,0,1]=4 5975 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [1,0,0,0,0,1|1,0,1]=4 5976 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [1,0,0,0,0,1|1,0,1]=4 5977 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [1,0,0,0,0,1|1,0,1]=4 5978 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [1,0,0,0,0,1|1,0,1]=4 5979 B9R0.55 CC(C)NCCSC(C)C 2230a_100000731138_100000210206 [1,0,0,0,0,1|1,0,1]=4 5980 B9R0.55 CC(C)NCCSC(C)C 2230a_100138425928_100000730970 [1,0,0,0,0,1|1,0,1]=4 5981 B9R0.55 CC(C)NCCSC(C)C 34a_100000731138_100000210206 [1,0,0,0,0,1|1,0,1]=4 5982 B9R0.55 CC(C)NCCSC(C)C 34a_100138425928_100000730970 [1,0,0,0,0,1|1,0,1]=4 5983 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [1,0,0,0,0,1|1,0,1]=4 5984 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [1,0,0,0,0,1|1,0,1]=4 5985 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [1,0,0,0,0,1|1,0,1]=4 5986 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [1,0,0,0,0,1|1,0,1]=4 5987 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [1,0,0,0,0,1|1,0,1]=4 5988 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [1,0,0,0,0,1|1,0,1]=4 5989 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [1,0,0,0,0,1|1,0,1]=4 5990 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [1,0,0,0,0,1|1,0,1]=4 5991 B9R0.55 CC(C)OCOC[C@@H](C)Cl 34a_100016084084_100000709892 [1,0,0,0,0,1|2,0,0]=4 5992 B9R0.55 CC(C)OCOC[C@@H](C)N 34a_100000737577_100000709892 [1,0,0,0,0,1|2,0,0]=4 5993 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [1,0,0,0,0,1|2,0,0]=4 5994 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [1,0,0,0,0,1|2,0,0]=4 5995 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [1,0,0,0,0,1|1,0,1]=4 5996 B9R0.55 CC(C)SCCSC(C)C 62a_100000210206_100000730970 [1,0,0,0,0,1|1,0,1]=4 5997 B9R0.55 CC(C)SCCSC(C)C 62a_100000730970_100000210206 [1,0,0,0,0,1|1,0,1]=4 5998 B9R0.55 CC(F)COCOC(C)C 34a_100015925927_100000709892 [1,0,0,0,0,1|2,0,0]=4 5999 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [1,0,0,0,0,1|1,0,1]=4 6000 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [1,0,0,0,0,1|1,0,1]=4 6001 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [1,0,0,0,0,1|1,0,1]=4 6002 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [1,0,0,0,0,1|1,0,1]=4 6003 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [1,0,0,0,0,1|1,0,1]=4 6004 B9R0.55 CC(O)CNCOC(C)C 2230a_100000210904_100000709892 [1,0,0,0,0,1|2,0,0]=4 6005 B9R0.55 CC(O)CNCOC(C)C 34a_100000210904_100000709892 [1,0,0,0,0,1|2,0,0]=4 6006 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [1,0,0,0,0,1|2,0,0]=4 6007 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [1,0,0,0,0,1|2,0,0]=4 6008 B11R0.6 C=C(C)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000748629 [0,0,0,0,0,2|0,0,2]=4 6009 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,0,0,0,0,2|0,0,2]=4 6010 B11R0.6 C=C(C)CC(=O)COCC(C)C 1458a_100011223364_100000748629 [0,0,0,0,0,2|0,0,2]=4 6011 B11R0.6 C=C(C)CNNC(=O)CC(C)C 22a_100000729518_100000210554 [0,0,0,0,0,2|0,0,2]=4 6012 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,0,0,0,0,2|0,0,2]=4 6013 B11R0.6 CC(=CC(=O)CCOC(C)C)C 1458a_100000211388_100000211751 [0,0,0,0,0,2|0,0,2]=4 6014 B11R0.6 CC(=CC(=O)CCSC(C)C)C 1458a_100000211388_100000730970 [0,0,0,0,0,2|0,0,2]=4 6015 B11R0.6 CC(=CC(=O)NCCC(C)C)C 11a_100000210545_100000211388 [0,0,0,0,0,2|0,0,2]=4 6016 B11R0.6 CC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100000211388 [0,0,0,0,0,2|0,0,2]=4 6017 B11R0.6 CC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100000211388 [0,0,0,0,0,2|0,0,2]=4 6018 B11R0.6 CC(=CC(=O)NNCC(C)C)C 22a_100000696102_100000211388 [0,0,0,0,0,2|0,0,2]=4 6019 B11R0.6 CC(=CCCC(=O)CC(C)C)C 1458a_100000210554_100011217483 [0,0,0,0,0,2|0,0,1]=3 6020 B11R0.6 CC(=CCCC(=O)CN(C)C)C 1458a_100000750896_100011217483 [0,0,0,0,0,2|1,0,1]=4 6021 B11R0.6 CC(=CCCC(=O)C[C@@H](C)O)C 1458a_100011933948_100011217483 [0,0,0,0,0,2|1,0,1]=4 6022 B11R0.6 CC(=CCCC(=O)C[S+](C)C)C 1458a_200159257847_100011217483 [0,0,0,0,0,2|1,0,1]=4 6023 B11R0.6 CC(=CCNC(=O)CC(C)C)C 11a_100000718196_100000210554 [0,0,0,0,0,2|0,0,1]=3 6024 B11R0.6 CC(=CCNC(=O)CC(C)C)C 1626a_100000718196_100000210554 [0,0,0,0,0,2|0,0,1]=3 6025 B11R0.6 CC(=CCNC(=O)CC(C)C)C 527a_100000718196_100000210554 [0,0,0,0,0,2|0,0,1]=3 6026 B11R0.6 CC(=CCNC(=O)CN(C)C)C 11a_100000718196_100000750896 [0,0,0,0,0,2|1,0,1]=4 6027 B11R0.6 CC(=CCNC(=O)CN(C)C)C 527a_100000718196_100000750896 [0,0,0,0,0,2|1,0,1]=4 6028 B11R0.6 CC(=CCNC(=O)C[S+](C)C)C 11a_100000718196_200159257847 [0,0,0,0,0,2|1,0,1]=4 6029 B11R0.6 CC(=CCNC(=O)C[S+](C)C)C 1626a_100000718196_200159257847 [0,0,0,0,0,2|1,0,1]=4 6030 B11R0.6 CC(=CCNC(=O)C[S+](C)C)C 527a_100000718196_200159257847 [0,0,0,0,0,2|1,0,1]=4 6031 B11R0.6 CC(=CCNC(=O)NC(C)C)C 2708a_100000718196_100138425928 [0,0,0,0,0,2|1,0,1]=4 6032 B11R0.6 CC(=CCNC(=O)NC(C)C)C 2708a_100138425928_100000718196 [0,0,0,0,0,2|1,0,1]=4 6033 B11R0.6 CC(=CCNC(=O)NC(C)C)C 273464a_100138425928_100000718196 [0,0,0,0,0,2|1,0,1]=4 6034 B11R0.6 CC(=CCNC(=O)NC(C)C)C 512a_100000718196_100138425928 [0,0,0,0,0,2|1,0,1]=4 6035 B11R0.6 CC(=CCNC(=O)NC(C)C)C 512a_100138425928_100000718196 [0,0,0,0,0,2|1,0,1]=4 6036 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,0,0,0,0,2|1,0,1]=4 6037 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000183196_100000210624 [0,0,0,0,0,2|1,0,1]=4 6038 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000210554_100000189650 [0,0,0,0,0,2|1,0,1]=4 6039 B11R0.6 CC(=O)OCCC(=O)CC(C)C 1458a_100000210554_100009814007 [0,0,0,0,0,2|1,0,1]=4 6040 B11R0.6 CC(=O)SCCC(=O)CC(C)C 1458a_100000048949_100000210624 [0,0,0,0,0,2|1,0,1]=4 6041 B11R0.6 CC(Br)COCC(=O)NC(C)C 34a_100012180447_100000183996 [0,0,0,0,0,2|2,0,0]=4 6042 B11R0.6 CC(Br)COCC(=O)OC(C)C 34a_100012180447_100011215430 [0,0,0,0,0,2|2,0,0]=4 6043 B11R0.6 CC(C)/C=C/CC(=O)CC(C)C 1458a_100016292215_100000210624 [0,0,0,0,0,2|0,0,0]=2 6044 B11R0.6 CC(C)/C=C/CC(=O)CC(C)O 1458a_100016292215_100011218427 [0,0,0,0,0,2|1,0,0]=3 6045 B11R0.6 CC(C)/C=C/CC(=O)CC(F)F 1458a_100016292215_100011934356 [0,0,0,0,0,2|2,0,0]=4 6046 B11R0.6 CC(C)/C=C/CC(=O)NC(C)C 11a_100138425928_100016292215 [0,0,0,0,0,2|1,0,0]=3 6047 B11R0.6 CC(C)/C=C/CC(=O)NC(C)C 1626a_100138425928_100016292215 [0,0,0,0,0,2|1,0,0]=3 6048 B11R0.6 CC(C)/C=C/CC(=O)NC(C)C 240690a_100138425928_100016292215 [0,0,0,0,0,2|1,0,0]=3 6049 B11R0.6 CC(C)C=NNC(=O)CC(C)C 4a_100000189787_100000210432 [0,0,0,0,0,2|0,0,1]=3 6050 B11R0.6 CC(C)C=NNC(=O)CN(C)C 4a_100000750941_100000210432 [0,0,0,0,0,2|1,0,1]=4 6051 B11R0.6 CC(C)CC(=O)C=CCN(C)C 1458a_100000754359_100000210624 [0,0,0,0,0,2|1,0,0]=3 6052 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,0,0,0,0,2|1,0,0]=3 6053 B11R0.6 CC(C)CC(=O)CCCN(C)C 1458a_100000210554_100000695564 [0,0,0,0,0,2|1,0,0]=3 6054 B11R0.6 CC(C)CC(=O)CCOC(C)C 1458a_100000210554_100000211751 [0,0,0,0,0,2|0,0,0]=2 6055 B11R0.6 CC(C)CC(=O)CCSC(C)C 1458a_100000210554_100000730970 [0,0,0,0,0,2|0,0,0]=2 6056 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,0,0,0,0,2|1,0,0]=3 6057 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,0,0,0,0,2|1,0,0]=3 6058 B11R0.6 CC(C)CC(=O)NCCN(C)C 240690a_100000210585_100000210554 [0,0,0,0,0,2|1,0,0]=3 6059 B11R0.6 CC(C)CC(=O)NCCN(C)C 527a_100000210585_100000210554 [0,0,0,0,0,2|1,0,0]=3 6060 B11R0.6 CC(C)CC(=O)NNCC(C)O 22a_200000730056_100000210554 [0,0,0,0,0,2|1,0,0]=3 6061 B11R0.6 CC(C)CC(C)NCOC(C)C 2230a_100000692259_100000709892 [0,0,0,0,0,2|1,0,1]=4 6062 B11R0.6 CC(C)CC(C)OCOC(C)C 34a_100000211805_100000709892 [0,0,0,0,0,2|1,0,1]=4 6063 B11R0.6 CC(C)CC(C)SCOC(C)C 62a_100000709892_100000731052 [0,0,0,0,0,2|1,0,1]=4 6064 B11R0.6 CC(C)CC(C)SCOC(C)C 62a_100000731052_100000709892 [0,0,0,0,0,2|1,0,1]=4 6065 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,0,0,0,0,2|0,0,0]=2 6066 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,0,0,0,0,2|0,0,0]=2 6067 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,0,0,0,0,2|1,0,0]=3 6068 B11R0.6 CC(C)CCCC(=O)CC(F)F 1458a_100011216857_100011934356 [0,0,0,0,0,2|2,0,0]=4 6069 B11R0.6 CC(C)CCCC(=O)CN(C)C 1458a_100000750896_100011214892 [0,0,0,0,0,2|1,0,0]=3 6070 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,0,0,0,0,2|1,0,0]=3 6071 B11R0.6 CC(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100011214892 [0,0,0,0,0,2|1,0,0]=3 6072 B11R0.6 CC(C)CCCC(=O)NC(C)C 11a_100138425928_100011216857 [0,0,0,0,0,2|1,0,0]=3 6073 B11R0.6 CC(C)CCCC(=O)NC(C)C 1626a_100138425928_100011216857 [0,0,0,0,0,2|1,0,0]=3 6074 B11R0.6 CC(C)CCCC(=O)NC(C)C 240690a_100138425928_100011216857 [0,0,0,0,0,2|1,0,0]=3 6075 B11R0.6 CC(C)CCCC(=O)NC(C)C 527a_100138425928_100011216857 [0,0,0,0,0,2|1,0,0]=3 6076 B11R0.6 CC(C)CCCN(C)CC(C)C 2230a_100000747067_100011214892 [0,0,0,0,0,2|2,0,0]=4 6077 B11R0.6 CC(C)CCCN(C)CC(C)C 269982a_100000747067_100011214892 [0,0,0,0,0,2|2,0,0]=4 6078 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,0,0,0,0,2|0,0,0]=2 6079 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,0,0,0,0,2|0,0,0]=2 6080 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,0,0,0,0,2|0,0,0]=2 6081 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,0,0,0,0,2|0,0,0]=2 6082 B11R0.6 CC(C)CCNC(=O)CN(C)C 11a_100000210545_100000750896 [0,0,0,0,0,2|1,0,0]=3 6083 B11R0.6 CC(C)CCNC(=O)CN(C)C 240690a_100000210545_100000750896 [0,0,0,0,0,2|1,0,0]=3 6084 B11R0.6 CC(C)CCNC(=O)CN(C)C 527a_100000210545_100000750896 [0,0,0,0,0,2|1,0,0]=3 6085 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,0,0,0,0,2|1,0,0]=3 6086 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 11a_100000210545_200159257847 [0,0,0,0,0,2|1,0,0]=3 6087 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 1626a_100000210545_200159257847 [0,0,0,0,0,2|1,0,0]=3 6088 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 240690a_100000210545_200159257847 [0,0,0,0,0,2|1,0,0]=3 6089 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 527a_100000210545_200159257847 [0,0,0,0,0,2|1,0,0]=3 6090 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100000210545_100138425928 [0,0,0,0,0,2|1,0,0]=3 6091 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100138425928_100000210545 [0,0,0,0,0,2|1,0,0]=3 6092 B11R0.6 CC(C)CCNC(=O)NC(C)C 273464a_100138425928_100000210545 [0,0,0,0,0,2|1,0,0]=3 6093 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100000210545_100138425928 [0,0,0,0,0,2|1,0,0]=3 6094 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100138425928_100000210545 [0,0,0,0,0,2|1,0,0]=3 6095 B11R0.6 CC(C)CCNC(C)CC(C)C 2230a_100000692259_100000210312 [0,0,0,0,0,2|1,0,1]=4 6096 B11R0.6 CC(C)CCNC(C)CC(C)C 269862a_100000692259_100000185833 [0,0,0,0,0,2|1,0,1]=4 6097 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000210254_100000731052 [0,0,0,0,0,2|1,0,1]=4 6098 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000211805_100000210312 [0,0,0,0,0,2|1,0,1]=4 6099 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000210254_100000731052 [0,0,0,0,0,2|1,0,1]=4 6100 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000211805_100000210626 [0,0,0,0,0,2|1,0,1]=4 6101 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000210312_100000731052 [0,0,0,0,0,2|1,0,1]=4 6102 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000731052_100000210312 [0,0,0,0,0,2|1,0,1]=4 6103 B11R0.6 CC(C)CN(C)CCOC(C)C 2230a_100000747067_100000211751 [0,0,0,0,0,2|2,0,0]=4 6104 B11R0.6 CC(C)CN(C)CCOC(C)C 269982a_100000747067_100000211751 [0,0,0,0,0,2|2,0,0]=4 6105 B11R0.6 CC(C)CN(C)CCSC(C)C 2230a_100000747067_100000730970 [0,0,0,0,0,2|2,0,0]=4 6106 B11R0.6 CC(C)CN(C)CCSC(C)C 269982a_100000747067_100000730970 [0,0,0,0,0,2|2,0,0]=4 6107 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000168517_100000210760 [0,0,0,0,0,2|1,0,0]=3 6108 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000210953_100000183996 [0,0,0,0,0,2|1,0,0]=3 6109 B11R0.6 CC(C)CNCC(=O)NC(C)C 270004a_100000168517_100000210432 [0,0,0,0,0,2|1,0,0]=3 6110 B11R0.6 CC(C)CNCC(=O)NC(C)C 34a_100000210953_100000183996 [0,0,0,0,0,2|1,0,0]=3 6111 B11R0.6 CC(C)CNCC(=O)OC(C)C 2230a_100000210953_100011215430 [0,0,0,0,0,2|1,0,0]=3 6112 B11R0.6 CC(C)CNCC(=O)OC(C)C 34a_100000210953_100011215430 [0,0,0,0,0,2|1,0,0]=3 6113 B11R0.6 CC(C)CNNC(=O)CC(C)C 22a_100000696102_100000210554 [0,0,0,0,0,2|0,0,0]=2 6114 B11R0.6 CC(C)CNNC(=O)CN(C)C 22a_100000696102_100000750896 [0,0,0,0,0,2|1,0,0]=3 6115 B11R0.6 CC(C)CNNC(=O)C[C@@H](C)O 22a_100000696102_100011933948 [0,0,0,0,0,2|1,0,0]=3 6116 B11R0.6 CC(C)CNNC(=O)C[S+](C)C 22a_100000696102_200159257847 [0,0,0,0,0,2|1,0,0]=3 6117 B11R0.6 CC(C)CNNC(=O)NC(C)C 273464a_100138425928_100000696102 [0,0,0,0,0,2|1,0,0]=3 6118 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100000696102_100138425928 [0,0,0,0,0,2|1,0,0]=3 6119 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100138425928_100000696102 [0,0,0,0,0,2|1,0,0]=3 6120 B11R0.6 CC(C)COCC(=O)CC(C)C 1458a_100011223364_100000210624 [0,0,0,0,0,2|0,0,0]=2 6121 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,0,0,0,0,2|1,0,0]=3 6122 B11R0.6 CC(C)COCC(=O)CC(F)F 1458a_100011223364_100011934356 [0,0,0,0,0,2|2,0,0]=4 6123 B11R0.6 CC(C)COCC(=O)NC(C)C 11a_100138425928_100011223364 [0,0,0,0,0,2|1,0,0]=3 6124 B11R0.6 CC(C)COCC(=O)NC(C)C 1626a_100138425928_100011223364 [0,0,0,0,0,2|1,0,0]=3 6125 B11R0.6 CC(C)COCC(=O)NC(C)C 240690a_100138425928_100011223364 [0,0,0,0,0,2|1,0,0]=3 6126 B11R0.6 CC(C)COCC(=O)NC(C)C 34a_100000210257_100000183996 [0,0,0,0,0,2|1,0,0]=3 6127 B11R0.6 CC(C)COCC(=O)NC(C)C 527a_100138425928_100011223364 [0,0,0,0,0,2|1,0,0]=3 6128 B11R0.6 CC(C)COCC(=O)OC(C)C 34a_100000210257_100011215430 [0,0,0,0,0,2|1,0,0]=3 6129 B11R0.6 CC(C)COC[C@@H](N)CC(C)C 34a_100011830311_100000210624 [0,0,0,0,0,2|1,0,1]=4 6130 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000183996_100000210760 [0,0,0,0,0,2|1,0,0]=3 6131 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000210624_100000183996 [0,0,0,0,0,2|1,0,0]=3 6132 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100000210624_100011215430 [0,0,0,0,0,2|1,0,0]=3 6133 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100011215430_100000210760 [0,0,0,0,0,2|1,0,0]=3 6134 B11R0.6 CC(C)C[C@H](N)CCOC(C)C 34a_100161151251_100000210206 [0,0,0,0,0,2|1,0,1]=4 6135 B11R0.6 CC(C)NC(=O)C=CCN(C)C 240690a_100138425928_100000754359 [0,0,0,0,0,2|2,0,0]=4 6136 B11R0.6 CC(C)NC(=O)CCCN(C)C 11a_100138425928_100000740757 [0,0,0,0,0,2|2,0,0]=4 6137 B11R0.6 CC(C)NC(=O)CCCN(C)C 240690a_100138425928_100000740757 [0,0,0,0,0,2|2,0,0]=4 6138 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000210206_100000737564 [0,0,0,0,0,2|1,0,0]=3 6139 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000737564_100000210206 [0,0,0,0,0,2|1,0,0]=3 6140 B11R0.6 CC(C)NC(=O)CNC[C@@H](C)O 2230a_100000168517_100009817552 [0,0,0,0,0,2|2,0,0]=4 6141 B11R0.6 CC(C)NC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183996 [0,0,0,0,0,2|2,0,0]=4 6142 B11R0.6 CC(C)NC(=O)COC[C@@H](C)N 34a_100000737577_100000183996 [0,0,0,0,0,2|2,0,0]=4 6143 B11R0.6 CC(C)NC(=O)CSC[C@@H](C)O 62a_100000183996_100009817552 [0,0,0,0,0,2|2,0,0]=4 6144 B11R0.6 CC(C)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000183996 [0,0,0,0,0,2|2,0,0]=4 6145 B11R0.6 CC(C)NC(=O)NCCN(C)C 2708a_100138425928_100000210585 [0,0,0,0,0,2|2,0,0]=4 6146 B11R0.6 CC(C)NC(=O)NCCN(C)C 273464a_100138425928_100000210585 [0,0,0,0,0,2|2,0,0]=4 6147 B11R0.6 CC(C)NC(=O)NCCN(C)C 512a_100138425928_100000210585 [0,0,0,0,0,2|2,0,0]=4 6148 B11R0.6 CC(C)NCCC(=O)NC(C)C 2230a_100138425928_100000737564 [0,0,0,0,0,2|1,0,0]=3 6149 B11R0.6 CC(C)NCCC(=O)OC(C)C 2230a_100138425928_100000760027 [0,0,0,0,0,2|1,0,0]=3 6150 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000210206_100000760027 [0,0,0,0,0,2|1,0,0]=3 6151 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000760027_100000210206 [0,0,0,0,0,2|1,0,0]=3 6152 B11R0.6 CC(C)OC(=O)COC[C@@H](C)Cl 34a_100016084084_100011215430 [0,0,0,0,0,2|2,0,0]=4 6153 B11R0.6 CC(C)OC(=O)COC[C@@H](C)N 34a_100000737577_100011215430 [0,0,0,0,0,2|2,0,0]=4 6154 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100009817552_100011215430 [0,0,0,0,0,2|2,0,0]=4 6155 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100011215430_100009817552 [0,0,0,0,0,2|2,0,0]=4 6156 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000003507_100000210206 [0,0,0,0,0,2|1,0,0]=3 6157 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000210206_100000003507 [0,0,0,0,0,2|1,0,0]=3 6158 B11R0.6 CC(C)OCCC(=O)CN(C)C 1458a_100000750896_100000211751 [0,0,0,0,0,2|1,0,0]=3 6159 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,0,0,0,0,2|1,0,0]=3 6160 B11R0.6 CC(C)OCCC(=O)C[S+](C)C 1458a_200159257847_100000211751 [0,0,0,0,0,2|1,0,0]=3 6161 B11R0.6 CC(C)SCCC(=O)CN(C)C 1458a_100000750896_100000730970 [0,0,0,0,0,2|1,0,0]=3 6162 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,0,0,0,0,2|1,0,0]=3 6163 B11R0.6 CC(C)SCCC(=O)C[S+](C)C 1458a_200159257847_100000730970 [0,0,0,0,0,2|1,0,0]=3 6164 B11R0.6 CC(F)COCC(=O)NC(C)C 34a_100015925927_100000183996 [0,0,0,0,0,2|2,0,0]=4 6165 B11R0.6 CC(F)COCC(=O)OC(C)C 34a_100015925927_100011215430 [0,0,0,0,0,2|2,0,0]=4 6166 B11R0.6 CC(O)CC(=O)C=CCN(C)C 1458a_100000754359_100011218427 [0,0,0,0,0,2|2,0,0]=4 6167 B11R0.6 CC(O)CCCC(=O)CN(C)C 1458a_100000750896_200000718107 [0,0,0,0,0,2|2,0,0]=4 6168 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,0,0,0,0,2|2,0,0]=4 6169 B11R0.6 CC(O)CCCC(=O)C[S+](C)C 1458a_200159257847_200000718107 [0,0,0,0,0,2|2,0,0]=4 6170 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,0,0,0,0,2|2,0,0]=4 6171 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,0,0,0,0,2|2,0,0]=4 6172 B11R0.6 CC(O)CCNC(=O)CN(C)C 240690a_200000755665_100000750896 [0,0,0,0,0,2|2,0,0]=4 6173 B11R0.6 CC(O)CCNC(=O)CN(C)C 527a_200000755665_100000750896 [0,0,0,0,0,2|2,0,0]=4 6174 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,0,0,0,0,2|2,0,0]=4 6175 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 240690a_200000755665_200159257847 [0,0,0,0,0,2|2,0,0]=4 6176 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 527a_200000755665_200159257847 [0,0,0,0,0,2|2,0,0]=4 6177 B11R0.6 CC(O)CCNC(=O)NC(C)C 2708a_100138425928_200000755665 [0,0,0,0,0,2|2,0,0]=4 6178 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_100138425928_200000755665 [0,0,0,0,0,2|2,0,0]=4 6179 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_200000755665_100138425928 [0,0,0,0,0,2|2,0,0]=4 6180 B11R0.6 CC(O)CNCC(=O)NC(C)C 2230a_100000168517_100011218427 [0,0,0,0,0,2|2,0,0]=4 6181 B11R0.6 CC(O)CNCC(=O)NC(C)C 2230a_100000210904_100000183996 [0,0,0,0,0,2|2,0,0]=4 6182 B11R0.6 CC(O)CNCC(=O)NC(C)C 34a_100000210904_100000183996 [0,0,0,0,0,2|2,0,0]=4 6183 B11R0.6 CC(O)CNCC(=O)OC(C)C 2230a_100000210904_100011215430 [0,0,0,0,0,2|2,0,0]=4 6184 B11R0.6 CC(O)CNCC(=O)OC(C)C 34a_100000210904_100011215430 [0,0,0,0,0,2|2,0,0]=4 6185 B11R0.6 CC(O)CNNC(=O)CN(C)C 22a_200000730056_100000750896 [0,0,0,0,0,2|2,0,0]=4 6186 B11R0.6 CC(O)CNNC(=O)C[C@@H](C)O 22a_200000730056_100011933948 [0,0,0,0,0,2|2,0,0]=4 6187 B11R0.6 CC(O)CNNC(=O)C[S+](C)C 22a_200000730056_200159257847 [0,0,0,0,0,2|2,0,0]=4 6188 B11R0.6 CC(O)CNNC(=O)NC(C)C 512a_100138425928_200000730056 [0,0,0,0,0,2|2,0,0]=4 6189 B11R0.6 CC(O)CNNC(=O)NC(C)C 512a_200000730056_100138425928 [0,0,0,0,0,2|2,0,0]=4 6190 B11R0.6 CC(O)CSCC(=O)NC(C)C 62a_100000183996_100011218427 [0,0,0,0,0,2|2,0,0]=4 6191 B11R0.6 CC(O)CSCC(=O)NC(C)C 62a_100011218427_100000183996 [0,0,0,0,0,2|2,0,0]=4 6192 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011215430_100011218427 [0,0,0,0,0,2|2,0,0]=4 6193 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011218427_100011215430 [0,0,0,0,0,2|2,0,0]=4 6194 B11R0.6 CN(C)CCCC(=O)CN(C)C 1458a_100000750896_100000695564 [0,0,0,0,0,2|2,0,0]=4 6195 B11R0.6 CN(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100000695564 [0,0,0,0,0,2|2,0,0]=4 6196 B11R0.6 CN(C)CCNC(=O)CN(C)C 240690a_100000210585_100000750896 [0,0,0,0,0,2|2,0,0]=4 6197 B11R0.6 CN(C)CCNC(=O)CN(C)C 527a_100000210585_100000750896 [0,0,0,0,0,2|2,0,0]=4 6198 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 240690a_100000210585_200159257847 [0,0,0,0,0,2|2,0,0]=4 6199 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 527a_100000210585_200159257847 [0,0,0,0,0,2|2,0,0]=4 6200 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,0,0,0,0,2|2,0,0]=4 6201 B11R0.6 C[C@@H](O)CC(=O)NCCN(C)C 240690a_100000210585_100011933948 [0,0,0,0,0,2|2,0,0]=4 6202 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_100000181311_100000730704 [0,0,0,0,0,2|0,0,2]=4 6203 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_200000688413_100000210312 [0,0,0,0,0,2|0,0,2]=4 6204 B11R0.85 C=C(C)CCC(=O)COC(C)C 1458a_100000745533_100000730704 [0,0,0,0,0,2|0,0,2]=4 6205 B11R0.85 C=C(C)CCC(=O)CSC(C)C 1458a_100000241585_100000730704 [0,0,0,0,0,2|0,0,2]=4 6206 B11R0.85 C=C(C)CCC(=O)NCC(C)C 11a_100000210953_200000688413 [0,0,0,0,0,2|0,0,2]=4 6207 B11R0.85 C=C(C)CCC(=O)NCC(C)C 1626a_100000210953_200000688413 [0,0,0,0,0,2|0,0,2]=4 6208 B11R0.85 C=C(C)CCC(=O)NCC(C)C 240690a_100000210953_200000688413 [0,0,0,0,0,2|0,0,2]=4 6209 B11R0.85 C=C(C)CCC(=O)NCC(C)C 527a_100000210953_200000688413 [0,0,0,0,0,2|0,0,2]=4 6210 B11R0.85 C=C(C)CNC(=O)CCC(C)C 11a_100000765925_100000181311 [0,0,0,0,0,2|0,0,2]=4 6211 B11R0.85 C=C(C)CNC(=O)CCC(C)C 1626a_100000765925_100000181311 [0,0,0,0,0,2|0,0,2]=4 6212 B11R0.85 C=C(C)CNC(=O)CCC(C)C 240690a_100000765925_100000181311 [0,0,0,0,0,2|0,0,2]=4 6213 B11R0.85 C=C(C)CNC(=O)CCC(C)C 527a_100000765925_100000181311 [0,0,0,0,0,2|0,0,2]=4 6214 B11R0.85 C=C(C)CNC(=O)COC(C)C 11a_100000765925_100000745533 [0,0,0,0,0,2|0,0,2]=4 6215 B11R0.85 C=C(C)CNC(=O)COC(C)C 1626a_100000765925_100000745533 [0,0,0,0,0,2|0,0,2]=4 6216 B11R0.85 C=C(C)CNC(=O)COC(C)C 240690a_100000765925_100000745533 [0,0,0,0,0,2|0,0,2]=4 6217 B11R0.85 C=C(C)CNC(=O)COC(C)C 527a_100000765925_100000745533 [0,0,0,0,0,2|0,0,2]=4 6218 B11R0.85 C=C(C)CNC(=O)CSC(C)C 11a_100000765925_100000241585 [0,0,0,0,0,2|0,0,2]=4 6219 B11R0.85 C=C(C)CNC(=O)CSC(C)C 1626a_100000765925_100000241585 [0,0,0,0,0,2|0,0,2]=4 6220 B11R0.85 C=C(C)CNC(=O)CSC(C)C 240690a_100000765925_100000241585 [0,0,0,0,0,2|0,0,2]=4 6221 B11R0.85 C=C(C)CNC(=O)CSC(C)C 527a_100000765925_100000241585 [0,0,0,0,0,2|0,0,2]=4 6222 B11R0.85 C=C(C)CNC(=O)NCC(C)C 2708a_100000210953_100000765925 [0,0,0,0,0,2|0,0,2]=4 6223 B11R0.85 C=C(C)CNC(=O)NCC(C)C 2708a_100000765925_100000210953 [0,0,0,0,0,2|0,0,2]=4 6224 B11R0.85 C=C(C)CNC(=O)NCC(C)C 273464a_100000210953_100000765925 [0,0,0,0,0,2|0,0,2]=4 6225 B11R0.85 C=C(C)CNC(=O)NCC(C)C 273464a_100000765925_100000210953 [0,0,0,0,0,2|0,0,2]=4 6226 B11R0.85 C=C(C)CNC(=O)NCC(C)C 512a_100000210953_100000765925 [0,0,0,0,0,2|0,0,2]=4 6227 B11R0.85 C=C(C)CNC(=O)NCC(C)C 512a_100000765925_100000210953 [0,0,0,0,0,2|0,0,2]=4 6228 B11R0.85 CC(=CCC(=O)C=CC(C)C)C 1458a_100016268746_100000761012 [0,0,0,0,0,2|0,0,2]=4 6229 B11R0.85 CC(=CCC(=O)CC=C(C)C)C 1458a_100011220947_100000761012 [0,0,0,0,0,2|0,0,2]=4 6230 B11R0.85 CC(=CCC(=O)CCC(C)C)C 1458a_100000181311_100000761012 [0,0,0,0,0,2|0,0,1]=3 6231 B11R0.85 CC(=CCC(=O)CCC(C)C)C 1458a_100011220947_100000210312 [0,0,0,0,0,2|0,0,1]=3 6232 B11R0.85 CC(=CCC(=O)CCC(C)O)C 1458a_100011220947_100012276601 [0,0,0,0,0,2|1,0,1]=4 6233 B11R0.85 CC(=CCC(=O)CC[S+](C)C)C 1458a_100009452791_100000761012 [0,0,0,0,0,2|1,0,1]=4 6234 B11R0.85 CC(=CCC(=O)COC(C)C)C 1458a_100000745533_100000761012 [0,0,0,0,0,2|0,0,1]=3 6235 B11R0.85 CC(=CCC(=O)CSC(C)C)C 1458a_100000241585_100000761012 [0,0,0,0,0,2|0,0,1]=3 6236 B11R0.85 CC(=CCC(=O)NCC(C)C)C 11a_100000210953_100011220947 [0,0,0,0,0,2|0,0,1]=3 6237 B11R0.85 CC(=CCC(=O)NCC(C)C)C 1626a_100000210953_100011220947 [0,0,0,0,0,2|0,0,1]=3 6238 B11R0.85 CC(=CCC(=O)NCC(C)C)C 240690a_100000210953_100011220947 [0,0,0,0,0,2|0,0,1]=3 6239 B11R0.85 CC(=CCC(=O)NCC(C)C)C 527a_100000210953_100011220947 [0,0,0,0,0,2|0,0,1]=3 6240 B11R0.85 CC(=CCC(=O)NCC(C)O)C 11a_100000210904_100011220947 [0,0,0,0,0,2|1,0,1]=4 6241 B11R0.85 CC(=CCC(=O)NCC(C)O)C 240690a_100000210904_100011220947 [0,0,0,0,0,2|1,0,1]=4 6242 B11R0.85 CC(=CCC(=O)NCC(C)O)C 527a_100000210904_100011220947 [0,0,0,0,0,2|1,0,1]=4 6243 B11R0.85 CC(=CCC(=O)NNC(C)C)C 22a_100000741168_100011220947 [0,0,0,0,0,2|1,0,1]=4 6244 B11R0.85 CC(=NNC(C)C)CCC(C)C 4a_100000741168_100000210476 [0,0,0,0,0,2|2,0,0]=4 6245 B11R0.85 CC(=O)CNC(=O)CCC(C)C 1458a_100000205584_200000210301 [0,0,0,0,0,2|1,0,1]=4 6246 B11R0.85 CC(=O)NCC(=O)CCC(C)C 1458a_100000194580_100000210312 [0,0,0,0,0,2|1,0,1]=4 6247 B11R0.85 CC(=O)NCC(=O)NCC(C)C 11a_100000210953_100000194580 [0,0,0,0,0,2|1,0,1]=4 6248 B11R0.85 CC(=O)NCC(=O)NCC(C)C 1626a_100000210953_100000194580 [0,0,0,0,0,2|1,0,1]=4 6249 B11R0.85 CC(=O)NCC(=O)NCC(C)C 240690a_100000210953_100000194580 [0,0,0,0,0,2|1,0,1]=4 6250 B11R0.85 CC(=O)NCC(=O)NCC(C)C 527a_100000210953_100000194580 [0,0,0,0,0,2|1,0,1]=4 6251 B11R0.85 CC(=O)OCC(=O)CCC(C)C 1458a_100000183556_100000210312 [0,0,0,0,0,2|1,0,1]=4 6252 B11R0.85 CC(=O)OCC(=O)CNC(C)C 34a_100138425928_100000036994 [0,0,0,0,0,2|1,0,1]=4 6253 B11R0.85 CC(=O)OCC(=O)COC(C)C 34a_100000212225_100000036994 [0,0,0,0,0,2|1,0,1]=4 6254 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000036994_100000210206 [0,0,0,0,0,2|1,0,1]=4 6255 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000210206_100000036994 [0,0,0,0,0,2|1,0,1]=4 6256 B11R0.85 CC(=O)OCC(=O)NCC(C)C 1626a_100000210953_100000183556 [0,0,0,0,0,2|1,0,1]=4 6257 B11R0.85 CC(=O)OCC(=O)NCC(C)C 240690a_100000210953_100000183556 [0,0,0,0,0,2|1,0,1]=4 6258 B11R0.85 CC(=O)OCC(=O)NCC(C)C 527a_100000210953_100000183556 [0,0,0,0,0,2|1,0,1]=4 6259 B11R0.85 CC(=O)SCC(=O)CCC(C)C 1458a_100000049016_100000210312 [0,0,0,0,0,2|1,0,1]=4 6260 B11R0.85 CC(=O)SCC(=O)NCC(C)C 11a_100000210953_100000049016 [0,0,0,0,0,2|1,0,1]=4 6261 B11R0.85 CC(=O)SCC(=O)NCC(C)C 1626a_100000210953_100000049016 [0,0,0,0,0,2|1,0,1]=4 6262 B11R0.85 CC(=O)SCC(=O)NCC(C)C 240690a_100000210953_100000049016 [0,0,0,0,0,2|1,0,1]=4 6263 B11R0.85 CC(C)C=CC(=O)CCC(C)C 1458a_100016268746_100000210312 [0,0,0,0,0,2|0,0,1]=3 6264 B11R0.85 CC(C)C=CC(=O)CCC(C)O 1458a_100016268746_100012276601 [0,0,0,0,0,2|1,0,1]=4 6265 B11R0.85 CC(C)C=CC(=O)NCC(C)C 11a_100000210953_100016268746 [0,0,0,0,0,2|0,0,1]=3 6266 B11R0.85 CC(C)C=CC(=O)NCC(C)C 1626a_100000210953_100016268746 [0,0,0,0,0,2|0,0,1]=3 6267 B11R0.85 CC(C)C=CC(=O)NCC(C)C 240690a_100000210953_100016268746 [0,0,0,0,0,2|0,0,1]=3 6268 B11R0.85 CC(C)C=CC(=O)NCC(C)O 11a_100000210904_100016268746 [0,0,0,0,0,2|1,0,1]=4 6269 B11R0.85 CC(C)C=CC(=O)NCC(C)O 240690a_100000210904_100016268746 [0,0,0,0,0,2|1,0,1]=4 6270 B11R0.85 CC(C)C=CC(=O)NNC(C)C 22a_100000741168_100016268746 [0,0,0,0,0,2|1,0,1]=4 6271 B11R0.85 CC(C)CCC(=O)CCC(C)C 1458a_100000181311_100000210312 [0,0,0,0,0,2|0,0,0]=2 6272 B11R0.85 CC(C)CCC(=O)CCC(C)O 1458a_100000181311_100012276601 [0,0,0,0,0,2|1,0,0]=3 6273 B11R0.85 CC(C)CCC(=O)CC[S+](C)C 1458a_100009452791_100000210312 [0,0,0,0,0,2|1,0,0]=3 6274 B11R0.85 CC(C)CCC(=O)COC(C)C 1458a_100000745533_100000210312 [0,0,0,0,0,2|0,0,0]=2 6275 B11R0.85 CC(C)CCC(=O)COC(F)F 1458a_200000719455_100000210312 [0,0,0,0,0,2|2,0,0]=4 6276 B11R0.85 CC(C)CCC(=O)CSC(C)C 1458a_100000241585_100000210312 [0,0,0,0,0,2|0,0,0]=2 6277 B11R0.85 CC(C)CCC(=O)CSC(F)F 1458a_114828291038_100000210312 [0,0,0,0,0,2|2,0,0]=4 6278 B11R0.85 CC(C)CCC(=O)NCC(=O)[13CH3] 1458a_100000205584_200025704644 [0,0,0,0,0,2|1,0,1]=4 6279 B11R0.85 CC(C)CCC(=O)NCC(C)C 11a_100000210953_100000181311 [0,0,0,0,0,2|0,0,0]=2 6280 B11R0.85 CC(C)CCC(=O)NCC(C)C 1626a_100000210953_100000181311 [0,0,0,0,0,2|0,0,0]=2 6281 B11R0.85 CC(C)CCC(=O)NCC(C)C 240690a_100000210953_100000181311 [0,0,0,0,0,2|0,0,0]=2 6282 B11R0.85 CC(C)CCC(=O)NCC(C)C 527a_100000210953_100000181311 [0,0,0,0,0,2|0,0,0]=2 6283 B11R0.85 CC(C)CCC(=O)NCC(C)O 11a_100000210904_100000181311 [0,0,0,0,0,2|1,0,0]=3 6284 B11R0.85 CC(C)CCC(=O)NCC(C)O 240690a_100000210904_100000181311 [0,0,0,0,0,2|1,0,0]=3 6285 B11R0.85 CC(C)CCC(=O)NCC(C)O 527a_100000210904_100000181311 [0,0,0,0,0,2|1,0,0]=3 6286 B11R0.85 CC(C)CCC(=O)NCC(F)F 11a_100000765723_100000181311 [0,0,0,0,0,2|2,0,0]=4 6287 B11R0.85 CC(C)CCC(=O)NCC(F)F 1626a_100000765723_100000181311 [0,0,0,0,0,2|2,0,0]=4 6288 B11R0.85 CC(C)CCC(=O)NCC(F)F 240690a_100000765723_100000181311 [0,0,0,0,0,2|2,0,0]=4 6289 B11R0.85 CC(C)CCC(=O)NCC(F)F 527a_100000765723_100000181311 [0,0,0,0,0,2|2,0,0]=4 6290 B11R0.85 CC(C)CCC(=O)NNC(C)C 22a_100000741168_100000181311 [0,0,0,0,0,2|1,0,0]=3 6291 B11R0.85 CC(C)CCC(C)NCC(C)C 2230a_100000210953_100011261404 [0,0,0,0,0,2|1,0,1]=4 6292 B11R0.85 CC(C)CCC(C)NCC(C)C 2230a_100138410893_100000210760 [0,0,0,0,0,2|1,0,1]=4 6293 B11R0.85 CC(C)CCC(C)NCC(C)C 270004a_100000210953_100000210476 [0,0,0,0,0,2|1,0,1]=4 6294 B11R0.85 CC(C)CCC(C)NCC(C)C 270004a_100138410893_100000210432 [0,0,0,0,0,2|1,0,1]=4 6295 B11R0.85 CC(C)CCC(C)NCC(C)C 34a_100000210953_100011261404 [0,0,0,0,0,2|1,0,1]=4 6296 B11R0.85 CC(C)CCC(C)OCC(C)C 34a_100000210257_100011261404 [0,0,0,0,0,2|1,0,1]=4 6297 B11R0.85 CC(C)CCC(C)OCC(C)C 34a_100011215350_100000210624 [0,0,0,0,0,2|1,0,1]=4 6298 B11R0.85 CC(C)CCC(C)OCC(C)C 7a_100011215350_100000210760 [0,0,0,0,0,2|1,0,1]=4 6299 B11R0.85 CC(C)CCC(C)SCC(C)C 62a_100000210624_100011261404 [0,0,0,0,0,2|1,0,1]=4 6300 B11R0.85 CC(C)CCC(C)SCC(C)C 62a_100011261404_100000210760 [0,0,0,0,0,2|1,0,1]=4 6301 B11R0.85 CC(C)CCN(C)CCC(C)C 2230a_100000207472_200000210301 [0,0,0,0,0,2|2,0,0]=4 6302 B11R0.85 CC(C)CCN(C)CCC(C)C 2230a_100000742789_100000210312 [0,0,0,0,0,2|2,0,0]=4 6303 B11R0.85 CC(C)CCN(C)CCC(C)C 269982a_100000207472_200000210301 [0,0,0,0,0,2|2,0,0]=4 6304 B11R0.85 CC(C)CCN(C)CCC(C)C 269982a_100000742789_100000210312 [0,0,0,0,0,2|2,0,0]=4 6305 B11R0.85 CC(C)CCN(C)COC(C)C 2230a_100000742789_100000709892 [0,0,0,0,0,2|2,0,0]=4 6306 B11R0.85 CC(C)CCN(C)COC(C)C 269982a_100000742789_100000709892 [0,0,0,0,0,2|2,0,0]=4 6307 B11R0.85 CC(C)CCN([13CH3])CCC(C)C 2230a_100000207472_200025704644 [0,0,0,0,0,2|2,0,0]=4 6308 B11R0.85 CC(C)CCN([13CH3])CCC(C)C 269982a_100000207472_200025704644 [0,0,0,0,0,2|2,0,0]=4 6309 B11R0.85 CC(C)CNC(=O)CCC(C)O 1626a_100000210953_100000718519 [0,0,0,0,0,2|1,0,0]=3 6310 B11R0.85 CC(C)CNC(=O)CCN(C)C 11a_100000210953_100000689311 [0,0,0,0,0,2|1,0,0]=3 6311 B11R0.85 CC(C)CNC(=O)CCN(C)C 240690a_100000210953_100000689311 [0,0,0,0,0,2|1,0,0]=3 6312 B11R0.85 CC(C)CNC(=O)CCN(C)C 527a_100000210953_100000689311 [0,0,0,0,0,2|1,0,0]=3 6313 B11R0.85 CC(C)CNC(=O)CC[S+](C)C 11a_100000210953_100009452791 [0,0,0,0,0,2|1,0,0]=3 6314 B11R0.85 CC(C)CNC(=O)CC[S+](C)C 1626a_100000210953_100009452791 [0,0,0,0,0,2|1,0,0]=3 6315 B11R0.85 CC(C)CNC(=O)CC[S+](C)C 240690a_100000210953_100009452791 [0,0,0,0,0,2|1,0,0]=3 6316 B11R0.85 CC(C)CNC(=O)CNC(C)C 2230a_100138425928_100000183291 [0,0,0,0,0,2|0,0,0]=2 6317 B11R0.85 CC(C)CNC(=O)CNC(C)C 34a_100138425928_100000183291 [0,0,0,0,0,2|0,0,0]=2 6318 B11R0.85 CC(C)CNC(=O)COC(C)C 11a_100000210953_100000745533 [0,0,0,0,0,2|0,0,0]=2 6319 B11R0.85 CC(C)CNC(=O)COC(C)C 1626a_100000210953_100000745533 [0,0,0,0,0,2|0,0,0]=2 6320 B11R0.85 CC(C)CNC(=O)COC(C)C 240690a_100000210953_100000745533 [0,0,0,0,0,2|0,0,0]=2 6321 B11R0.85 CC(C)CNC(=O)COC(C)C 34a_100000212225_100000183291 [0,0,0,0,0,2|0,0,0]=2 6322 B11R0.85 CC(C)CNC(=O)COC(C)C 527a_100000210953_100000745533 [0,0,0,0,0,2|0,0,0]=2 6323 B11R0.85 CC(C)CNC(=O)COC(F)F 11a_100000210953_200000719455 [0,0,0,0,0,2|2,0,0]=4 6324 B11R0.85 CC(C)CNC(=O)COC(F)F 1626a_100000210953_200000719455 [0,0,0,0,0,2|2,0,0]=4 6325 B11R0.85 CC(C)CNC(=O)COC(F)F 240690a_100000210953_200000719455 [0,0,0,0,0,2|2,0,0]=4 6326 B11R0.85 CC(C)CNC(=O)COC(F)F 527a_100000210953_200000719455 [0,0,0,0,0,2|2,0,0]=4 6327 B11R0.85 CC(C)CNC(=O)CSC(C)C 11a_100000210953_100000241585 [0,0,0,0,0,2|0,0,0]=2 6328 B11R0.85 CC(C)CNC(=O)CSC(C)C 1626a_100000210953_100000241585 [0,0,0,0,0,2|0,0,0]=2 6329 B11R0.85 CC(C)CNC(=O)CSC(C)C 240690a_100000210953_100000241585 [0,0,0,0,0,2|0,0,0]=2 6330 B11R0.85 CC(C)CNC(=O)CSC(C)C 527a_100000210953_100000241585 [0,0,0,0,0,2|0,0,0]=2 6331 B11R0.85 CC(C)CNC(=O)CSC(C)C 62a_100000183291_100000210206 [0,0,0,0,0,2|0,0,0]=2 6332 B11R0.85 CC(C)CNC(=O)CSC(C)C 62a_100000210206_100000183291 [0,0,0,0,0,2|0,0,0]=2 6333 B11R0.85 CC(C)CNC(=O)CSC(F)F 11a_100000210953_114828291038 [0,0,0,0,0,2|2,0,0]=4 6334 B11R0.85 CC(C)CNC(=O)CSC(F)F 1626a_100000210953_114828291038 [0,0,0,0,0,2|2,0,0]=4 6335 B11R0.85 CC(C)CNC(=O)CSC(F)F 240690a_100000210953_114828291038 [0,0,0,0,0,2|2,0,0]=4 6336 B11R0.85 CC(C)CNC(=O)CSC(F)F 527a_100000210953_114828291038 [0,0,0,0,0,2|2,0,0]=4 6337 B11R0.85 CC(C)CNC(=O)NCC(C)C 2708a_100000210953_100000210953 [0,0,0,0,0,2|0,0,0]=2 6338 B11R0.85 CC(C)CNC(=O)NCC(C)C 273464a_100000210953_100000210953 [0,0,0,0,0,2|0,0,0]=2 6339 B11R0.85 CC(C)CNC(=O)NCC(C)C 512a_100000210953_100000210953 [0,0,0,0,0,2|0,0,0]=2 6340 B11R0.85 CC(C)CNC(=O)NCC(C)O 2708a_100000210953_100000210904 [0,0,0,0,0,2|1,0,0]=3 6341 B11R0.85 CC(C)CNC(=O)NCC(C)O 273464a_100000210904_100000210953 [0,0,0,0,0,2|1,0,0]=3 6342 B11R0.85 CC(C)CNC(=O)NCC(C)O 273464a_100000210953_100000210904 [0,0,0,0,0,2|1,0,0]=3 6343 B11R0.85 CC(C)CNC(=O)NCC(C)O 512a_100000210904_100000210953 [0,0,0,0,0,2|1,0,0]=3 6344 B11R0.85 CC(C)CNC(=O)NCC(C)O 512a_100000210953_100000210904 [0,0,0,0,0,2|1,0,0]=3 6345 B11R0.85 CC(C)CNC(=O)NCC(F)F 2708a_100000210953_100000765723 [0,0,0,0,0,2|2,0,0]=4 6346 B11R0.85 CC(C)CNC(=O)NCC(F)F 273464a_100000210953_100000765723 [0,0,0,0,0,2|2,0,0]=4 6347 B11R0.85 CC(C)CNC(=O)NCC(F)F 273464a_100000765723_100000210953 [0,0,0,0,0,2|2,0,0]=4 6348 B11R0.85 CC(C)CNC(=O)NCC(F)F 512a_100000210953_100000765723 [0,0,0,0,0,2|2,0,0]=4 6349 B11R0.85 CC(C)CNC(=O)NCC(F)F 512a_100000765723_100000210953 [0,0,0,0,0,2|2,0,0]=4 6350 B11R0.85 CC(C)CNC(=O)NNC(C)C 273464a_100000210953_100000741168 [0,0,0,0,0,2|1,0,0]=3 6351 B11R0.85 CC(C)CNC(=O)NNC(C)C 512a_100000210953_100000741168 [0,0,0,0,0,2|1,0,0]=3 6352 B11R0.85 CC(C)CNC(=O)NNC(C)C 512a_100000741168_100000210953 [0,0,0,0,0,2|1,0,0]=3 6353 B11R0.85 CC(C)NNC(=O)CCN(C)C 22a_100000741168_100000689311 [0,0,0,0,0,2|2,0,0]=4 6354 B11R0.85 CC(C)NNC(=O)CC[S+](C)C 22a_100000741168_100009452791 [0,0,0,0,0,2|2,0,0]=4 6355 B11R0.85 CC(C)NNC(=O)COC(C)C 22a_100000741168_100000745533 [0,0,0,0,0,2|1,0,0]=3 6356 B11R0.85 CC(C)NNC(=O)CSC(C)C 22a_100000741168_100000241585 [0,0,0,0,0,2|1,0,0]=3 6357 B11R0.85 CC(C)NNC(=O)NNC(C)C 512a_100000741168_100000741168 [0,0,0,0,0,2|2,0,0]=4 6358 B11R0.85 CC(C)OCC(=O)NCC(F)F 11a_100000765723_100000745533 [0,0,0,0,0,2|2,0,0]=4 6359 B11R0.85 CC(C)OCC(=O)NCC(F)F 1626a_100000765723_100000745533 [0,0,0,0,0,2|2,0,0]=4 6360 B11R0.85 CC(C)OCC(=O)NCC(F)F 240690a_100000765723_100000745533 [0,0,0,0,0,2|2,0,0]=4 6361 B11R0.85 CC(C)OCC(=O)NCC(F)F 527a_100000765723_100000745533 [0,0,0,0,0,2|2,0,0]=4 6362 B11R0.85 CC(C)SCC(=O)NCC(F)F 11a_100000765723_100000241585 [0,0,0,0,0,2|2,0,0]=4 6363 B11R0.85 CC(C)SCC(=O)NCC(F)F 1626a_100000765723_100000241585 [0,0,0,0,0,2|2,0,0]=4 6364 B11R0.85 CC(C)SCC(=O)NCC(F)F 240690a_100000765723_100000241585 [0,0,0,0,0,2|2,0,0]=4 6365 B11R0.85 CC(C)SCC(=O)NCC(F)F 527a_100000765723_100000241585 [0,0,0,0,0,2|2,0,0]=4 6366 B11R0.85 CC(O)CCC(=O)CC[S+](C)C 1458a_100009452791_100012276601 [0,0,0,0,0,2|2,0,0]=4 6367 B11R0.85 CC(O)CCC(=O)COC(C)C 1458a_100000745533_100012276601 [0,0,0,0,0,2|1,0,0]=3 6368 B11R0.85 CC(O)CCC(=O)CSC(C)C 1458a_100000241585_100012276601 [0,0,0,0,0,2|1,0,0]=3 6369 B11R0.85 CC(O)CNC(=O)CCN(C)C 11a_100000210904_100000689311 [0,0,0,0,0,2|2,0,0]=4 6370 B11R0.85 CC(O)CNC(=O)CCN(C)C 240690a_100000210904_100000689311 [0,0,0,0,0,2|2,0,0]=4 6371 B11R0.85 CC(O)CNC(=O)CCN(C)C 527a_100000210904_100000689311 [0,0,0,0,0,2|2,0,0]=4 6372 B11R0.85 CC(O)CNC(=O)CC[S+](C)C 11a_100000210904_100009452791 [0,0,0,0,0,2|2,0,0]=4 6373 B11R0.85 CC(O)CNC(=O)CC[S+](C)C 240690a_100000210904_100009452791 [0,0,0,0,0,2|2,0,0]=4 6374 B11R0.85 CC(O)CNC(=O)COC(C)C 11a_100000210904_100000745533 [0,0,0,0,0,2|1,0,0]=3 6375 B11R0.85 CC(O)CNC(=O)COC(C)C 240690a_100000210904_100000745533 [0,0,0,0,0,2|1,0,0]=3 6376 B11R0.85 CC(O)CNC(=O)COC(C)C 527a_100000210904_100000745533 [0,0,0,0,0,2|1,0,0]=3 6377 B11R0.85 CC(O)CNC(=O)CSC(C)C 11a_100000210904_100000241585 [0,0,0,0,0,2|1,0,0]=3 6378 B11R0.85 CC(O)CNC(=O)CSC(C)C 240690a_100000210904_100000241585 [0,0,0,0,0,2|1,0,0]=3 6379 B11R0.85 CC(O)CNC(=O)CSC(C)C 527a_100000210904_100000241585 [0,0,0,0,0,2|1,0,0]=3 6380 B11R0.85 CC(O)CNC(=O)NCC(C)O 273464a_100000210904_100000210904 [0,0,0,0,0,2|2,0,0]=4 6381 B11R0.85 CC(O)CNC(=O)NCC(C)O 512a_100000210904_100000210904 [0,0,0,0,0,2|2,0,0]=4 6382 B11R0.85 CC(O)CNC(=O)NNC(C)C 273464a_100000210904_100000741168 [0,0,0,0,0,2|2,0,0]=4 6383 B11R0.85 CC(O)CNC(=O)NNC(C)C 512a_100000210904_100000741168 [0,0,0,0,0,2|2,0,0]=4 6384 B11R0.85 CC(O)CNC(=O)NNC(C)C 512a_100000741168_100000210904 [0,0,0,0,0,2|2,0,0]=4