0 B10R0.70 C=C(C)CN(CC)CC(=O)O 269956a_100000746405_100000748629 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.70 C=C(C)CN(CC)CC(C)C 2230a_100000211296_100000210760 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.70 C=C(C)CN(CC)CC(C)C 2230a_100000738554_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.70 C=C(C)CN(CC)CC(C)C 269982a_100000211296_100000210624 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.70 C=C(C)CN(CC)CC(C)C 269982a_100000738554_100000748629 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.70 C=C(C)CN(CC)CC(C)C 270004a_100000211296_100000210432 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.70 C=C(F)CN(CC)CC(C)C 2230a_100000738554_100009893438 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.70 C=C(F)CN(CC)CC(C)C 269982a_100000738554_100009893438 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.70 CC(=O)NC(C#N)CC(C)C 11a_100000741378_100015343762 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.70 CC(=O)NC(C#N)CC(C)C 1626a_100000741378_100015343762 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.70 CC(=O)NC(C#N)CC(C)C 240690a_100000741378_100015343762 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.70 CC(=O)NC(C#N)CC(C)C 527a_100000741378_100103153847 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100015343762 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100103153847 [0,0,0,0,0,0|3,0,0]=3 14 B10R0.70 CC(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100000210760 [0,0,0,0,0,0|2,0,1]=3 15 B10R0.70 CC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000210206 [0,0,0,0,0,0|2,0,0]=2 16 B10R0.70 CC(O)CN(CO)CC(=O)[O-] 269956a_100016989150_100011218427 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.70 CCN(CC(=O)N)CC(C)C 2230a_100000738554_100000747473 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.70 CCN(CC(=O)N)CC(C)C 269982a_100000738554_100000187820 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.70 CCN(CC(=O)N)C[C@H](C)O 2230a_100000729506_100000747473 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.70 CCN(CC(=O)N)C[C@H](C)O 269982a_100000729506_100000187820 [0,0,0,0,0,0|4,0,0]=4 21 B10R0.70 CCN(CC(=O)O)CC(C)C 269956a_100000746405_100000210760 [0,0,0,0,0,0|2,0,0]=2 22 B10R0.70 CCN(CC(=O)O)CC(C)O 269956a_100000746405_100011218427 [0,0,0,0,0,0|3,0,0]=3 23 B10R0.70 CCN(CC(=O)O)CC(F)F 269956a_100000746405_100011934356 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.70 CCN(CC(=O)O)C[C@@H](C)O 269956a_100000746405_100009817552 [0,0,0,0,0,0|3,0,0]=3 25 B10R0.70 CCN(CC(=O)[O-])CC(C)C 269982a_100000738554_100020667443 [0,0,0,0,0,0|2,0,1]=3 26 B10R0.70 CCN(CC(=O)[O-])C[C@H](C)O 269982a_100000729506_100020667443 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.70 CCN(CC(C)C)CC(C)O 2230a_100000738554_100011218427 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.70 CCN(CC(C)C)CC(C)O 269982a_100000738554_100011218427 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.70 CCN(CC(C)C)C[C@@H](C)O 2230a_100000738554_100009817552 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.70 CCN(CC(C)C)C[C@@H](C)O 269982a_100000738554_100009817552 [0,0,0,0,0,0|3,0,1]=4 31 B10R0.70 CCN(CC(C)C)C[C@H](C)O 2230a_100000729506_100000210760 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.70 CCN(CC(C)C)C[C@H](C)O 269982a_100000729506_100000210624 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.70 CCN(CC(C)C)C[C@H](C)O 270004a_100000729506_100000210432 [0,0,0,0,0,0|3,0,1]=4 34 B10R0.70 CCN(CC(C)C)C[N+](=O)[O-] 269982a_100000738554_100000761209 [0,0,0,0,0,0|3,0,1]=4 35 B10R0.70 CC[C@H](CC(=O)O)NC(C)C 269956a_100016995926_100000210206 [0,0,0,0,0,0|2,0,0]=2 36 B10R0.70 C[C@@H](O)CN(CO)CC(=O)[O-] 269956a_100016989150_100009817552 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.14 C=CCN(CC)CC(C)C 2230a_100000738554_100000210623 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.14 C=CCN(CC)CC(C)C 269982a_100000738554_100000210623 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.14 C=CC[C@H](CO)NC(C)C 2230a_100020615467_100000210206 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.14 CC(C)CC(CN)CO[13CH3] 34a_200000723437_200025704644 [1,0,0,0,0,0|2,0,0]=3 41 B9R0.14 CC(C)CC(CO)CN[13CH3] 34a_200000723437_200025704644 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.14 CC(C)CN(CF)CCO 269982a_100015185251_100015361967 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.14 CC(C)C[C@@H](CCO)N[13CH3] 2230a_100161151251_200025704644 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.14 CCC(COC)CC(C)C 34a_100012186708_200000210301 [1,0,0,0,0,0|3,0,0]=4 45 B9R0.14 CCC(COC)CC(C)C 7a_100012186708_200000210301 [1,0,0,0,0,0|3,0,0]=4 46 B9R0.14 CCC(CO[13CH3])CC(C)C 34a_100012186708_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.14 CCC(CO[13CH3])CC(C)C 7a_100012186708_200025704644 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [1,0,0,0,0,0|2,0,0]=3 55 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [1,0,0,0,0,0|2,0,1]=4 56 B9R0.14 CCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210207 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [1,0,0,0,0,0|3,0,0]=4 59 B9R0.14 CCN(CC=O)CC(C)C 2230a_100000738554_200015260668 [1,0,0,0,0,0|2,0,0]=3 60 B9R0.14 CCN(CC=O)CC(C)C 269982a_100000738554_200015260668 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.14 CCN(CC=O)C[C@H](C)O 2230a_100000729506_200015260668 [1,0,0,0,0,0|3,0,0]=4 62 B9R0.14 CCN(CC=O)C[C@H](C)O 269982a_100000729506_200015260668 [1,0,0,0,0,0|3,0,0]=4 63 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [1,0,0,0,0,0|3,0,0]=4 65 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.14 CCN(CCO)CC(C)C 2230a_100000210973_100000210760 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.14 CCN(CCO)CC(C)C 2230a_100000738554_100000211926 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.14 CCN(CCO)CC(C)C 2230a_100015185251_100000210202 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.14 CCN(CCO)CC(C)C 269982a_100000210973_100000210624 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.14 CCN(CCO)CC(C)C 269982a_100000738554_100000211926 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.14 CCN(CCO)CC(C)C 269982a_100015185251_100000204670 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.14 CCN(CCO)CC(C)C 270004a_100000210973_100000210432 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [1,0,0,0,0,0|3,0,0]=4 74 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [1,0,0,0,0,0|2,0,0]=3 76 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.14 CNCC(CO)CC(C)C 34a_200000723437_200000210301 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.14 CN[C@H](CCO)CC(C)C 2230a_100161151251_200000210301 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.14 COCC(CN)CC(C)C 34a_200000723437_200000210301 [1,0,0,0,0,0|2,0,0]=3 81 B9R0.14 COCC(CN)OC(C)C 34a_100000756049_100000210206 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.14 O=C(O)CN(CF)CCO 269956a_100000747938_100015361967 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.14 O=C(O)C[C@@H](CO)NCF 269956a_100009816507_100015361967 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000225649_100000210760 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000747067_100000748629 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000225649_100000210624 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000747067_100000748629 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.53 C=C(C)CN(C)CC(C)C 270004a_100000225649_100000210432 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.53 C=C(F)CN(C)CC(C)C 2230a_100000747067_100009893438 [1,0,0,0,0,0|3,0,0]=4 91 B9R0.53 C=C(F)CN(C)CC(C)C 269982a_100000747067_100009893438 [1,0,0,0,0,0|3,0,0]=4 92 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [1,0,0,0,0,0|2,0,0]=3 94 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [1,0,0,0,0,0|2,0,0]=3 95 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [1,0,0,0,0,0|2,0,0]=3 96 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [1,0,0,0,0,0|3,0,0]=4 99 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [1,0,0,0,0,0|3,0,0]=4 100 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [1,0,0,0,0,0|2,0,1]=4 102 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [1,0,0,0,0,0|1,0,2]=4 104 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [1,0,0,0,0,0|2,0,0]=3 105 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [1,0,0,0,0,0|2,0,0]=3 106 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [1,0,0,0,0,0|2,0,0]=3 107 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [1,0,0,0,0,0|2,0,0]=3 108 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [1,0,0,0,0,0|1,0,0]=2 109 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [1,0,0,0,0,0|1,0,1]=3 110 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000227577_100000210760 [1,0,0,0,0,0|2,0,1]=4 111 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000747067_100011218427 [1,0,0,0,0,0|2,0,1]=4 112 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000227577_100000210624 [1,0,0,0,0,0|2,0,1]=4 113 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000747067_100011218427 [1,0,0,0,0,0|2,0,1]=4 114 B9R0.53 CC(C)CN(C)CC(C)O 270004a_100000227577_100000210432 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.53 CC(C)CN(C)C[C@@H](C)O 2230a_100000747067_100009817552 [1,0,0,0,0,0|2,0,1]=4 116 B9R0.53 CC(C)CN(C)C[C@@H](C)O 269982a_100000747067_100009817552 [1,0,0,0,0,0|2,0,1]=4 117 B9R0.53 CC(C)CN(C)C[N+](=O)[O-] 269982a_100000747067_100000761209 [1,0,0,0,0,0|2,0,1]=4 118 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [1,0,0,0,0,0|3,0,0]=4 119 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [1,0,0,0,0,0|3,0,0]=4 120 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [1,0,0,0,0,0|3,0,0]=4 121 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [1,0,0,0,0,0|2,0,0]=3 122 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.53 CN(CC(=O)O)CC(F)F 269956a_100000746989_100011934356 [1,0,0,0,0,0|3,0,0]=4 124 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [1,0,0,0,0,0|2,0,0]=3 126 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100015343762 [0,1,0,0,0,0|2,0,1]=4 127 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100015343762 [0,1,0,0,0,0|2,0,1]=4 128 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100015343762 [0,1,0,0,0,0|2,0,1]=4 129 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100103153847 [0,1,0,0,0,0|2,0,1]=4 130 B11R0.32 CC(C)CN(CC(=O)N)C(C)C 2230a_100000737641_100000747473 [0,1,0,0,0,0|3,0,0]=4 131 B11R0.32 CC(C)CN(CC(=O)N)C(C)C 269982a_100000737641_100000187820 [0,1,0,0,0,0|3,0,0]=4 132 B11R0.32 CC(C)CN(CC(=O)[O-])C(C)C 269982a_100000737641_100020667443 [0,1,0,0,0,0|2,0,1]=4 133 B11R0.32 CC(C)NC(CC(=O)O)C(C)C 269956a_100000695669_100000210206 [0,1,0,0,0,0|2,0,0]=3 134 B11R0.32 CC(C)N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210206 [0,1,0,0,0,0|2,0,1]=4 135 B11R0.35 C#CCN(CC(=O)O)CC(C)C 269956a_100011236498_100000210760 [0,1,0,0,0,0|2,0,0]=3 136 B11R0.35 C#CCN(CC(=O)O)CC(C)O 269956a_100011236498_100011218427 [0,1,0,0,0,0|3,0,0]=4 137 B11R0.35 C#CCN(CC(=O)O)C[C@@H](C)O 269956a_100011236498_100009817552 [0,1,0,0,0,0|3,0,0]=4 138 B11R0.35 C=CCN(CC(=O)O)CC(C)C 269956a_100000744315_100000210760 [0,1,0,0,0,0|2,0,0]=3 139 B11R0.35 C=CCN(CC(=O)O)CC(C)O 269956a_100000744315_100011218427 [0,1,0,0,0,0|3,0,0]=4 140 B11R0.35 C=CCN(CC(=O)O)C[C@@H](C)O 269956a_100000744315_100009817552 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 1626a_100161151251_100015343762 [0,1,0,0,0,0|3,0,0]=4 142 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 240690a_100161151251_100015343762 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 527a_100161151251_100103153847 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.35 CC(C)CN(CCO)CC(=O)N 2230a_100015185251_100000747473 [0,1,0,0,0,0|3,0,0]=4 145 B11R0.35 CC(C)CN(CCO)CC(=O)N 269982a_100015185251_100000187820 [0,1,0,0,0,0|3,0,0]=4 146 B11R0.35 CC(C)CN(CCO)CC(=O)O 269956a_100000747938_100000210760 [0,1,0,0,0,0|2,0,0]=3 147 B11R0.35 CC(C)CN(CCO)CC(=O)[O-] 269982a_100015185251_100020667443 [0,1,0,0,0,0|2,0,1]=4 148 B11R0.35 CC(O)CN(CCO)CC(=O)O 269956a_100000747938_100011218427 [0,1,0,0,0,0|3,0,0]=4 149 B11R0.35 C[C@@H](O)CN(CCO)CC(=O)O 269956a_100000747938_100009817552 [0,1,0,0,0,0|3,0,0]=4 150 B11R0.91 C#CC(C)N[C@H](CC)CC(=O)O 269956a_100016995926_200000035995 [0,1,0,0,0,0|2,0,1]=4 151 B11R0.91 C#CC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_200000035995 [0,1,0,0,0,0|2,0,1]=4 152 B11R0.91 C=CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_200121576911 [0,1,0,0,0,0|3,0,0]=4 153 B11R0.91 C=CC(C)N[C@H](CC)CC(=O)O 269956a_100016995926_100011215867 [0,1,0,0,0,0|2,0,1]=4 154 B11R0.91 C=CC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100011215867 [0,1,0,0,0,0|2,0,1]=4 155 B11R0.91 CC(C#N)N[C@H](CO)CC(=O)O 269956a_100009816507_100000184139 [0,1,0,0,0,0|2,0,1]=4 156 B11R0.91 CC(C)CC(C#N)NC(=O)CO 240690a_100000741378_100000210174 [0,1,0,0,0,0|1,0,2]=4 157 B11R0.91 CC(C)CC(C#N)NC(=O)CO 527a_100000741378_100000210174 [0,1,0,0,0,0|1,0,2]=4 158 B11R0.91 CC(C)C[C@@H](CO)NC(=O)CO 240690a_100011830311_100000210174 [0,1,0,0,0,0|2,0,0]=3 159 B11R0.91 CC(C)C[C@@H](CO)NC(=O)CO 527a_100011830311_100000210174 [0,1,0,0,0,0|2,0,0]=3 160 B11R0.91 CCC(=O)CN(CC)CC(C)C 269982a_100000738554_100000747405 [0,1,0,0,0,0|3,0,0]=4 161 B11R0.91 CCC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100000210414 [0,1,0,0,0,0|3,0,0]=4 162 B11R0.91 CCC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100000210414 [0,1,0,0,0,0|3,0,0]=4 163 B11R0.91 CCC(C)CN(CC)CC(=O)O 269956a_100000746405_100000748023 [0,1,0,0,0,0|2,0,0]=3 164 B11R0.91 CCC(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100000748023 [0,1,0,0,0,0|2,0,1]=4 165 B11R0.91 CCC(C)N[C@H](CC)CC(=O)O 269956a_100016995926_100000758301 [0,1,0,0,0,0|2,0,0]=3 166 B11R0.91 CCC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000758301 [0,1,0,0,0,0|2,0,0]=3 167 B11R0.91 CCC(O)CN(CC)CC(=O)O 269956a_100000746405_100011218378 [0,1,0,0,0,0|3,0,0]=4 168 B11R0.91 CCN(CC(=O)NC)CC(C)C 2230a_100000738554_100000183359 [0,1,0,0,0,0|3,0,0]=4 169 B11R0.91 CCN(CC(=O)NC)CC(C)C 269982a_100000738554_100000183359 [0,1,0,0,0,0|3,0,0]=4 170 B11R0.91 CCN(CC(=O)O)CC(O)CO 269956a_100000746405_100011219619 [0,1,0,0,0,0|3,0,0]=4 171 B11R0.91 CCN(CC(=O)O)C[C@@H](C)CO 269956a_100000746405_100000059175 [0,1,0,0,0,0|2,0,0]=3 172 B11R0.91 CCN(CC(=O)O)C[C@@H](O)CF 269956a_100000746405_100015614560 [0,1,0,0,0,0|3,0,0]=4 173 B11R0.91 CCN(CC(=O)O)C[C@@H](O)CO 269956a_100000746405_100009815848 [0,1,0,0,0,0|3,0,0]=4 174 B11R0.91 CCN(CC(=O)OC)CC(C)C 2230a_100000738554_100000747449 [0,1,0,0,0,0|2,0,0]=3 175 B11R0.91 CCN(CC(=O)OC)CC(C)C 269982a_100000738554_100000747449 [0,1,0,0,0,0|2,0,0]=3 176 B11R0.91 CCN(CC(=O)OC)C[C@H](C)O 2230a_100000729506_100000747449 [0,1,0,0,0,0|3,0,0]=4 177 B11R0.91 CCN(CC(=O)OC)C[C@H](C)O 269982a_100000729506_100000747449 [0,1,0,0,0,0|3,0,0]=4 178 B11R0.91 CC[C@@H](CC(=O)OC)OC(C)C 7a_200015357724_100000210206 [0,1,0,0,0,0|2,0,0]=3 179 B11R0.91 CC[C@H](C)CN(CC)CC(=O)O 269956a_100000746405_100009816398 [0,1,0,0,0,0|2,0,0]=3 180 B11R0.91 CC[C@H](C)CN(CO)CC(=O)[O-] 269956a_100016989150_100009816398 [0,1,0,0,0,0|2,0,1]=4 181 B11R0.91 CC[C@H](CC(=O)O)NC(C)C#N 269956a_100016995926_100000184139 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.91 CC[C@H](CC(=O)O)NC(C)OC 269956a_100016995926_100009879195 [0,1,0,0,0,0|2,0,0]=3 183 B11R0.91 CC[C@H](CC(=O)O)N[C@H](C)CO 269956a_100016995926_100016084084 [0,1,0,0,0,0|2,0,0]=3 184 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 2708a_100102657272_100011830311 [0,1,0,0,0,0|3,0,0]=4 185 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 273464a_100011830311_100102657272 [0,1,0,0,0,0|3,0,0]=4 186 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 273464a_100102657272_100011830311 [0,1,0,0,0,0|3,0,0]=4 187 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 512a_100011830311_100102657272 [0,1,0,0,0,0|3,0,0]=4 188 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 512a_106832991638_100011830311 [0,1,0,0,0,0|3,0,0]=4 189 B11R0.91 COC(=O)C[C@H](CCl)OC(C)C 7a_100000754131_100000210206 [0,1,0,0,0,0|2,0,0]=3 190 B11R0.91 COC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100009879195 [0,1,0,0,0,0|2,0,0]=3 191 B11R0.91 C[C@@H](CO)CN(CO)CC(=O)[O-] 269956a_100016989150_100000059175 [0,1,0,0,0,0|2,0,1]=4 192 B11R0.91 C[C@H](CO)N[C@H](CO)CC(=O)O 269956a_100009816507_100016084084 [0,1,0,0,0,0|2,0,0]=3 193 B11R0.144 CCN(CC(=O)N)C(C)C(C)C 2230a_100000746363_100000747473 [0,1,0,0,0,0|3,0,0]=4 194 B11R0.144 CCN(CC(=O)N)C(C)C(C)C 269982a_100000746363_100000187820 [0,1,0,0,0,0|3,0,0]=4 195 B11R0.144 CCN(CC(=O)[O-])C(C)C(C)C 269982a_100000746363_100020667443 [0,1,0,0,0,0|2,0,1]=4 196 B11R0.144 CCN(CC(C)C)C(C)C(=O)C 2230a_100000738554_100009814033 [0,1,0,0,0,0|3,0,0]=4 197 B11R0.144 CCN(CC(C)C)C(C)C(=O)C 269982a_100000738554_100009814033 [0,1,0,0,0,0|3,0,0]=4 198 B11R0.144 CCN(CC(C)C)C(C)C(=O)N 2230a_100000738554_100000702099 [0,1,0,0,0,0|3,0,0]=4 199 B11R0.144 CCN(CC(C)C)C(C)C(=O)N 2230a_100020603310_100000210760 [0,1,0,0,0,0|3,0,0]=4 200 B11R0.144 CCN(CC(C)C)C(C)C(=O)N 269982a_100000738554_100000184083 [0,1,0,0,0,0|3,0,0]=4 201 B11R0.144 CCN(CC(C)C)C(C)C(=O)N 269982a_100020603310_100000210624 [0,1,0,0,0,0|3,0,0]=4 202 B11R0.144 CCN(CC(C)C)C(C)C(=O)N 270004a_100020603310_100000210432 [0,1,0,0,0,0|3,0,0]=4 203 B11R0.144 CCN(CC(C)C)C(F)C(=O)N 2230a_100000738554_100009813875 [0,1,0,0,0,0|3,0,0]=4 204 B11R0.144 CCN(CC(C)C)C(F)C(=O)N 269982a_100000738554_100009813875 [0,1,0,0,0,0|3,0,0]=4 205 B11R0.274 CC(C)(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100011219605 [0,1,0,0,0,0|2,0,1]=4 206 B11R0.274 CC(C)(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000211941 [0,1,0,0,0,0|2,0,0]=3 207 B11R0.274 CC(C)(F)CN(CO)CC(=O)[O-] 269956a_100016989150_100011997219 [0,1,0,0,0,0|2,0,1]=4 208 B11R0.274 CC(C)(O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000764493 [0,1,0,0,0,0|2,0,1]=4 209 B11R0.274 CCN(CC(=O)N)CC(C)(C)C 2230a_100000732750_100000747473 [0,1,0,0,0,0|3,0,0]=4 210 B11R0.274 CCN(CC(=O)N)CC(C)(C)C 269982a_100000732750_100000187820 [0,1,0,0,0,0|3,0,0]=4 211 B11R0.274 CCN(CC(=O)N)CC(C)(C)O 2230a_100000755687_100000747473 [0,1,0,0,0,0|3,0,0]=4 212 B11R0.274 CCN(CC(=O)N)CC(C)(C)O 269982a_100000755687_100000187820 [0,1,0,0,0,0|3,0,0]=4 213 B11R0.274 CCN(CC(=O)O)CC(C)(C)C 269956a_100000746405_100011219605 [0,1,0,0,0,0|2,0,0]=3 214 B11R0.274 CCN(CC(=O)O)CC(C)(C)F 269956a_100000746405_100011997219 [0,1,0,0,0,0|2,0,0]=3 215 B11R0.274 CCN(CC(=O)O)CC(C)(C)O 269956a_100000746405_100000764493 [0,1,0,0,0,0|2,0,0]=3 216 B11R0.274 CCN(CC(=O)O)C[N+](C)(C)C 269956a_100000746405_200000036245 [0,1,0,0,0,0|3,0,0]=4 217 B11R0.274 CCN(CC(=O)O)C[Si](C)(C)C 269956a_100000746405_100000037933 [0,1,0,0,0,0|2,1,0]=4 218 B11R0.274 CCN(CC(=O)[O-])CC(C)(C)C 269982a_100000732750_100020667443 [0,1,0,0,0,0|2,0,1]=4 219 B11R0.274 CCN(CC(=O)[O-])CC(C)(C)O 269982a_100000755687_100020667443 [0,1,0,0,0,0|2,0,1]=4 220 B11R0.274 CC[C@H](CC(=O)O)NC(C)(C)C 269956a_100016995926_100000211941 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [0,0,0,1,0,0|3,0,0]=4 223 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)F 269956a_100016993324_100015361967 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)O 269956a_100000750407_100015361967 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,0,0,1,0,0|2,0,0]=3 226 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,0,0,1,0,0|3,0,0]=4 228 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,0,0,1,0,0|3,0,0]=4 229 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,0,0,1,0,0|3,0,0]=4 230 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,0,0,1,0,0|3,0,0]=4 231 B11R1.157 CC(C)CN1CCNC(=O)C1 2230a_100000184651_100000210760 [0,0,0,1,0,0|3,0,0]=4 232 B11R1.157 CC(C)CN1CCNC(=O)C1 270004a_100000184651_100000210432 [0,0,0,1,0,0|3,0,0]=4 233 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,0,0,1,0,0|2,0,0]=3 234 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,0,0,1,0,0|2,0,0]=3 235 B11R1.157 CC(C)NC1CCNC(=O)C1 2230a_100016994916_100000210206 [0,0,0,1,0,0|3,0,0]=4 236 B11R1.157 CC(C)NC1CCNC(=O)C1 34a_100016994916_100000210206 [0,0,0,1,0,0|3,0,0]=4 237 B11R1.157 CC(C)OC1CCCC(=O)C1 34a_100012613340_100000210206 [0,0,0,1,0,0|3,0,0]=4 238 B11R1.157 CC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000210206 [0,0,0,1,0,0|3,0,0]=4 239 B11R1.157 CC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218427 [0,0,0,1,0,0|3,0,0]=4 240 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,0,0,1,0,0|2,0,0]=3 241 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,0,0,1,0,0|2,0,0]=3 242 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,0,0,1,0,0|3,0,0]=4 243 B11R1.157 C[C@@H](O)CN1CCOC(=O)C1 2230a_100000131268_100009817552 [0,0,0,1,0,0|3,0,0]=4 244 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,0,0,1,0,0|3,0,0]=4 245 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,0,0,1,0,0|3,0,0]=4 246 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,0,0,1,0,0|3,0,0]=4 247 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,0,0,1,0,0|2,0,1]=4 248 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,0,0,1,0,0|2,0,1]=4 249 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,0,0,1,0,0|2,0,0]=3 250 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,0,0,1,0,0|3,0,0]=4 251 B11R1.708 CC(C)CN1CCC1C(=O)O 269956a_100000021838_100000210760 [0,0,0,1,0,0|2,0,0]=3 252 B11R1.708 CC(O)CN1CCC1C(=O)O 269956a_100000021838_100011218427 [0,0,0,1,0,0|3,0,0]=4 253 B11R1.708 C[C@@H](O)CN1CCC1C(=O)O 269956a_100000021838_100009817552 [0,0,0,1,0,0|3,0,0]=4 254 B11R1.710 CC(=O)CC1COC(O1)(C)C 1458a_100000070787_100000198056 [0,0,0,1,0,0|3,0,0]=4 255 B11R1.710 CC(=O)C[C@H]1COC(O1)(C)C 1458a_100000070787_100015422573 [0,0,0,1,0,0|3,0,0]=4 256 B11R1.710 CC1(CCN(C1)CC(=O)N)C 2230a_100000764714_100000747473 [0,0,0,1,0,0|3,0,0]=4 257 B11R1.710 CC1(CCN(C1)CC(=O)N)C 269982a_100000764714_100000187820 [0,0,0,1,0,0|3,0,0]=4 258 B11R1.710 CC1(CCN(C1)CC(=O)[O-])C 269982a_100000764714_100020667443 [0,0,0,1,0,0|2,0,1]=4 259 B11R1.933 CC(=O)NC1(CC1)CC(C)C 11a_100000732712_100015343762 [0,0,0,1,0,0|3,0,0]=4 260 B11R1.933 CC(=O)NC1(CC1)CC(C)C 1626a_100000732712_100015343762 [0,0,0,1,0,0|3,0,0]=4 261 B11R1.933 CC(=O)NC1(CC1)CC(C)C 240690a_100000732712_100015343762 [0,0,0,1,0,0|3,0,0]=4 262 B11R1.933 CC(=O)NC1(CC1)CC(C)C 527a_100000732712_100103153847 [0,0,0,1,0,0|3,0,0]=4 263 B11R1.1032 CCN(CC(=O)O)CC1CC1 269956a_100000746405_100000742324 [0,0,0,1,0,0|2,0,0]=3 264 B11R1.1032 CCN(CC(=O)O)CC1CO1 269956a_100000746405_102125554688 [0,0,0,1,0,0|3,0,0]=4 265 B11R1.1032 CCN(CC(=O)O)CC1CS1 269956a_100000746405_100000031435 [0,0,0,1,0,0|3,0,0]=4 266 B11R1.1032 CCN(CC(=O)O)C[C@@H]1CO1 269956a_100000746405_100000745022 [0,0,0,1,0,0|3,0,0]=4 267 B11R1.1032 CC[C@H](CC(=O)O)NC1CC1 269956a_100016995926_100000211595 [0,0,0,1,0,0|2,0,0]=3 268 B11R1.1032 O=C(O)C[C@@H](CO)NC1CC1 269956a_100009816507_100000211595 [0,0,0,1,0,0|2,0,0]=3 269 B11R1.1032 O=C([O-])CN(CO)CC1CC1 269956a_100016989150_100000742324 [0,0,0,1,0,0|2,0,1]=4 270 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,0,0,0,1,0|2,0,1]=4 271 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100015343762 [0,0,0,0,1,0|3,0,0]=4 272 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100103153847 [0,0,0,0,1,0|3,0,0]=4 273 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,0,0,0,1,0|2,0,0]=3 274 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,0,0,0,1,0|3,0,0]=4 275 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,0,0,0,1,0|3,0,0]=4 276 B9R0.39 CC(C)N(CO)CC(=O)[O-] 269956a_100016989150_100000210206 [0,0,0,0,1,0|2,0,1]=4 277 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,0,0,0,1,0|2,0,0]=3 278 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [0,0,0,0,1,0|3,0,0]=4 279 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [0,0,0,0,1,0|3,0,0]=4 280 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [0,0,0,0,1,0|3,0,0]=4 281 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [0,0,0,0,1,0|3,0,0]=4 282 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [0,0,0,0,1,0|3,0,0]=4 283 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [0,0,0,0,1,0|3,0,0]=4 284 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,0,0,0,1,0|3,0,0]=4 285 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,0,0,0,1,0|3,0,0]=4 286 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,0,0,0,1,0|3,0,0]=4 287 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,0,0,0,1,0|3,0,0]=4 288 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [0,0,0,0,1,0|3,0,0]=4 289 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [0,0,0,0,1,0|3,0,0]=4 290 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [0,0,0,0,1,0|3,0,0]=4 291 B9R0.39 CCN(CC(=O)N)C(C)C 2230a_100000223864_100000747473 [0,0,0,0,1,0|3,0,0]=4 292 B9R0.39 CCN(CC(=O)N)C(C)C 269982a_100000223864_100000187820 [0,0,0,0,1,0|3,0,0]=4 293 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,0,0,0,1,0|2,0,0]=3 294 B9R0.39 CCN(CC(=O)[O-])C(C)C 269982a_100000223864_100020667443 [0,0,0,0,1,0|2,0,1]=4 295 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,0,0,0,1,0|3,0,0]=4 296 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,0,0,0,1,0|3,0,0]=4 297 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,0,0,0,1,0|3,0,0]=4 298 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,0,0,0,1,0|3,0,0]=4 299 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,0,0,0,1,0|2,0,0]=3 300 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,0,0,0,1,0|2,0,0]=3 301 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,0,0,0,1,0|3,0,0]=4 302 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,0,0,0,1,0|3,0,0]=4 303 B11R0.143 C#CC(CC(C)C)OCC(=O)N 34a_100011215986_100000187820 [0,0,0,0,0,1|2,0,1]=4 304 B11R0.143 C#CC(CC(C)C)OCC(=O)N 7a_100011215986_100000187820 [0,0,0,0,0,1|2,0,1]=4 305 B11R0.143 C#CC(CC(C)C)OCC(=O)[O-] 34a_100011215986_100020667443 [0,0,0,0,0,1|1,0,2]=4 306 B11R0.143 C=C(C)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000748629 [0,0,0,0,0,1|1,0,2]=4 307 B11R0.143 C=C(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000748629 [0,0,0,0,0,1|1,0,2]=4 308 B11R0.143 C=C(C)CN[C@H](CO)CC(C)C 2230a_100011830311_100000748629 [0,0,0,0,0,1|3,0,0]=4 309 B11R0.143 C=C(C)CN[C@H](CO)CC(C)C 34a_100011830311_100000748629 [0,0,0,0,0,1|3,0,0]=4 310 B11R0.143 C=C(F)CN[C@H](CO)CC(C)C 2230a_100011830311_100009893438 [0,0,0,0,0,1|3,0,0]=4 311 B11R0.143 C=C(F)CN[C@H](CO)CC(C)C 34a_100011830311_100009893438 [0,0,0,0,0,1|3,0,0]=4 312 B11R0.143 C=CC(CC(C)C)OCC(=O)N 34a_100012186643_100000187820 [0,0,0,0,0,1|2,0,1]=4 313 B11R0.143 C=CC(CC(C)C)OCC(=O)N 7a_100012186643_100000187820 [0,0,0,0,0,1|2,0,1]=4 314 B11R0.143 C=CC(CC(C)C)OCC(=O)[O-] 34a_100012186643_100020667443 [0,0,0,0,0,1|1,0,2]=4 315 B11R0.143 CC(=O)NCC(CO)CC(C)C 240690a_200000723437_100015343762 [0,0,0,0,0,1|2,0,0]=3 316 B11R0.143 CC(=O)NCC(CO)CC(C)C 527a_200000723437_100103153847 [0,0,0,0,0,1|2,0,0]=3 317 B11R0.143 CC(=O)OCC(CCl)OC(C)C 7a_200000139349_100000210206 [0,0,0,0,0,1|3,0,0]=4 318 B11R0.143 CC(C)CC(C#N)NCC(=O)N 2230a_100000741378_100000747473 [0,0,0,0,0,1|1,0,2]=4 319 B11R0.143 CC(C)CC(C#N)OCC(=O)N 34a_200011294978_100000187820 [0,0,0,0,0,1|1,0,2]=4 320 B11R0.143 CC(C)CC(C#N)OCC(=O)N 7a_200011294978_100000187820 [0,0,0,0,0,1|1,0,2]=4 321 B11R0.143 CC(C)CC(C#N)OCC(=O)[O-] 34a_200011294978_100020667443 [0,0,0,0,0,1|0,0,3]=4 322 B11R0.143 CC(C)CC(CN)COC(C)C 34a_200000723437_100000210206 [0,0,0,0,0,1|2,0,1]=4 323 B11R0.143 CC(C)CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210312 [0,0,0,0,0,1|2,0,1]=4 324 B11R0.143 CC(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000210760 [0,0,0,0,0,1|1,0,0]=2 325 B11R0.143 CC(C)C[C@@H](CO)NCC(=O)N 2230a_100011830311_100000747473 [0,0,0,0,0,1|2,0,0]=3 326 B11R0.143 CC(C)C[C@@H](CO)NCC(=O)N 34a_100011830311_100000187820 [0,0,0,0,0,1|2,0,0]=3 327 B11R0.143 CC(C)C[C@@H](CO)NCC(=O)[O-] 34a_100011830311_100020667443 [0,0,0,0,0,1|1,0,1]=3 328 B11R0.143 CC(C)C[C@@H](CO)NCC(C)O 2230a_100011830311_100011218427 [0,0,0,0,0,1|2,0,1]=4 329 B11R0.143 CC(C)C[C@@H](CO)NCC(C)O 34a_100011830311_100011218427 [0,0,0,0,0,1|2,0,1]=4 330 B11R0.143 CC(C)C[C@@H](CO)NC[C@@H](C)O 2230a_100011830311_100009817552 [0,0,0,0,0,1|2,0,1]=4 331 B11R0.143 CC(C)C[C@@H](CO)NC[C@@H](C)O 34a_100011830311_100009817552 [0,0,0,0,0,1|2,0,1]=4 332 B11R0.143 CC(C)C[C@@H](CO)NC[N+](=O)[O-] 34a_100011830311_100000761209 [0,0,0,0,0,1|2,0,1]=4 333 B11R0.143 CC(C)OCN(CO)CC(=O)[O-] 269956a_100016989150_100000709892 [0,0,0,0,0,1|2,0,1]=4 334 B11R0.143 CC(O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011218427 [0,0,0,0,0,1|2,0,0]=3 335 B11R0.143 CCN(CC=C(C)C)CC(=O)O 269956a_100000746405_100000761012 [0,0,0,0,0,1|2,0,1]=4 336 B11R0.143 CCN(CCC(=O)C)CC(C)C 269982a_100000738554_100000053229 [0,0,0,0,0,1|3,0,0]=4 337 B11R0.143 CCN(CCC(=O)N)CC(C)C 2230a_100000738554_100000744528 [0,0,0,0,0,1|3,0,0]=4 338 B11R0.143 CCN(CCC(=O)N)CC(C)C 2230a_100020645749_100000210760 [0,0,0,0,0,1|3,0,0]=4 339 B11R0.143 CCN(CCC(=O)N)CC(C)C 269982a_100000738554_100000744528 [0,0,0,0,0,1|3,0,0]=4 340 B11R0.143 CCN(CCC(=O)N)CC(C)C 270004a_100020645749_100000210432 [0,0,0,0,0,1|3,0,0]=4 341 B11R0.143 CCN(CCC(C)C)CC(=O)N 2230a_100000207693_100000747473 [0,0,0,0,0,1|3,0,0]=4 342 B11R0.143 CCN(CCC(C)C)CC(=O)N 269982a_100000207693_100000187820 [0,0,0,0,0,1|3,0,0]=4 343 B11R0.143 CCN(CCC(C)C)CC(=O)O 269956a_100000746405_100000210312 [0,0,0,0,0,1|2,0,0]=3 344 B11R0.143 CCN(CCC(C)C)CC(=O)[O-] 269982a_100000207693_100020667443 [0,0,0,0,0,1|2,0,1]=4 345 B11R0.143 CCN(CCC(C)O)CC(=O)O 269956a_100000746405_100012276601 [0,0,0,0,0,1|3,0,0]=4 346 B11R0.143 CCN(CCN(C)C)CC(=O)O 269956a_100000746405_100000755713 [0,0,0,0,0,1|3,0,0]=4 347 B11R0.143 CCN(COC(=O)C)CC(C)C 269982a_100000738554_100000076356 [0,0,0,0,0,1|3,0,0]=4 348 B11R0.143 CCN(COC(C)C)CC(=O)O 269956a_100000746405_100000709892 [0,0,0,0,0,1|2,0,0]=3 349 B11R0.143 CC[C@H](CC(=O)O)NCC(C)C 269956a_100016995926_100000210760 [0,0,0,0,0,1|1,0,0]=2 350 B11R0.143 CC[C@H](CC(=O)O)NCC(C)O 269956a_100016995926_100011218427 [0,0,0,0,0,1|2,0,0]=3 351 B11R0.143 CC[C@H](CC(=O)O)NCC(F)F 269956a_100016995926_100011934356 [0,0,0,0,0,1|3,0,0]=4 352 B11R0.143 CC[C@H](CC(=O)O)NC[C@@H](C)O 269956a_100016995926_100009817552 [0,0,0,0,0,1|2,0,0]=3 353 B11R0.143 C[C@@H](O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100009817552 [0,0,0,0,0,1|2,0,0]=3 354 B11R0.143 O=C(O)C[C@@H](CO)NCC(F)F 269956a_100009816507_100011934356 [0,0,0,0,0,1|3,0,0]=4 355 B8R0.5 C=CCN(C)CC(C)C 2230a_100000225617_100000210760 [2,0,0,0,0,0|2,0,0]=4 356 B8R0.5 C=CCN(C)CC(C)C 2230a_100000747067_100000210623 [2,0,0,0,0,0|2,0,0]=4 357 B8R0.5 C=CCN(C)CC(C)C 269982a_100000225617_100000210624 [2,0,0,0,0,0|2,0,0]=4 358 B8R0.5 C=CCN(C)CC(C)C 269982a_100000747067_100000210623 [2,0,0,0,0,0|2,0,0]=4 359 B8R0.5 C=CCN(C)CC(C)C 270004a_100000225617_100000210432 [2,0,0,0,0,0|2,0,0]=4 360 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [2,0,0,0,0,0|2,0,0]=4 361 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [2,0,0,0,0,0|2,0,0]=4 362 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [2,0,0,0,0,0|1,0,0]=3 363 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [2,0,0,0,0,0|1,0,0]=3 364 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [2,0,0,0,0,0|1,0,1]=4 365 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [2,0,0,0,0,0|1,0,1]=4 366 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [2,0,0,0,0,0|1,0,1]=4 367 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [2,0,0,0,0,0|1,0,1]=4 368 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [2,0,0,0,0,0|1,0,1]=4 369 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [2,0,0,0,0,0|1,0,1]=4 370 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [2,0,0,0,0,0|1,0,1]=4 371 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [2,0,0,0,0,0|1,0,1]=4 372 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [2,0,0,0,0,0|1,0,1]=4 373 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [2,0,0,0,0,0|2,0,0]=4 374 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [2,0,0,0,0,0|1,0,1]=4 375 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [2,0,0,0,0,0|1,0,1]=4 376 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [2,0,0,0,0,0|1,0,1]=4 377 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [2,0,0,0,0,0|1,0,1]=4 378 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [2,0,0,0,0,0|1,0,1]=4 379 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [2,0,0,0,0,0|1,0,1]=4 380 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [2,0,0,0,0,0|1,0,1]=4 381 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [2,0,0,0,0,0|2,0,0]=4 382 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [2,0,0,0,0,0|2,0,0]=4 383 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [2,0,0,0,0,0|1,0,0]=3 384 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [2,0,0,0,0,0|1,0,0]=3 385 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [2,0,0,0,0,0|1,0,0]=3 386 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [2,0,0,0,0,0|2,0,0]=4 387 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [2,0,0,0,0,0|2,0,0]=4 388 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [2,0,0,0,0,0|2,0,0]=4 389 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [2,0,0,0,0,0|2,0,0]=4 390 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [2,0,0,0,0,0|2,0,0]=4 391 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [2,0,0,0,0,0|2,0,0]=4 392 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [2,0,0,0,0,0|2,0,0]=4 393 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [2,0,0,0,0,0|1,0,0]=3 394 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [2,0,0,0,0,0|1,0,1]=4 395 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [2,0,0,0,0,0|2,0,0]=4 396 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [2,0,0,0,0,0|2,0,0]=4 397 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [2,0,0,0,0,0|2,0,0]=4 398 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [2,0,0,0,0,0|2,0,0]=4 399 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [2,0,0,0,0,0|2,0,0]=4 400 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [2,0,0,0,0,0|2,0,0]=4 401 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [2,0,0,0,0,0|2,0,0]=4 402 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [2,0,0,0,0,0|2,0,0]=4 403 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [2,0,0,0,0,0|2,0,0]=4 404 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [2,0,0,0,0,0|2,0,0]=4 405 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [2,0,0,0,0,0|2,0,0]=4 406 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [2,0,0,0,0,0|2,0,0]=4 407 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [2,0,0,0,0,0|2,0,0]=4 408 B8R0.16 CC(C)NC(CO)CO 2230a_100000759517_100000210206 [2,0,0,0,0,0|2,0,0]=4 409 B8R0.16 CC(C)OC(CN)CN 34a_100000031598_100000210206 [2,0,0,0,0,0|2,0,0]=4 410 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [2,0,0,0,0,0|2,0,0]=4 411 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [2,0,0,0,0,0|2,0,0]=4 412 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [2,0,0,0,0,0|2,0,0]=4 413 B8R0.16 CC[C@@H](CO)NC(C)C 2230a_100000709445_100000210206 [2,0,0,0,0,0|2,0,0]=4 414 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [2,0,0,0,0,0|2,0,0]=4 415 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [2,0,0,0,0,0|2,0,0]=4 416 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [2,0,0,0,0,0|2,0,0]=4 417 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [2,0,0,0,0,0|2,0,0]=4 418 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [2,0,0,0,0,0|2,0,0]=4 419 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [2,0,0,0,0,0|2,0,0]=4 420 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [2,0,0,0,0,0|2,0,0]=4 421 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [2,0,0,0,0,0|2,0,0]=4 422 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [2,0,0,0,0,0|1,0,0]=3 423 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [2,0,0,0,0,0|1,0,0]=3 424 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [2,0,0,0,0,0|2,0,0]=4 425 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [2,0,0,0,0,0|2,0,0]=4 426 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [2,0,0,0,0,0|2,0,0]=4 427 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [2,0,0,0,0,0|2,0,0]=4 428 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [2,0,0,0,0,0|2,0,0]=4 429 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [2,0,0,0,0,0|2,0,0]=4 430 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [2,0,0,0,0,0|2,0,0]=4 431 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [2,0,0,0,0,0|2,0,0]=4 432 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [2,0,0,0,0,0|2,0,0]=4 433 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [2,0,0,0,0,0|2,0,0]=4 434 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [2,0,0,0,0,0|2,0,0]=4 435 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 436 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 437 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 438 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [2,0,0,0,0,0|2,0,0]=4 439 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [2,0,0,0,0,0|1,0,0]=3 440 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [2,0,0,0,0,0|2,0,0]=4 441 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [2,0,0,0,0,0|2,0,0]=4 442 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [2,0,0,0,0,0|2,0,0]=4 443 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [2,0,0,0,0,0|1,0,0]=3 444 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [2,0,0,0,0,0|1,0,1]=4 445 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [2,0,0,0,0,0|2,0,0]=4 446 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [2,0,0,0,0,0|2,0,0]=4 447 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [2,0,0,0,0,0|1,0,1]=4 448 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [2,0,0,0,0,0|2,0,0]=4 449 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [2,0,0,0,0,0|2,0,0]=4 450 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [2,0,0,0,0,0|1,0,1]=4 451 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [2,0,0,0,0,0|1,0,1]=4 452 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [2,0,0,0,0,0|2,0,0]=4 453 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [2,0,0,0,0,0|2,0,0]=4 454 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [2,0,0,0,0,0|2,0,0]=4 455 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [2,0,0,0,0,0|2,0,0]=4 456 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [2,0,0,0,0,0|2,0,0]=4 457 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [2,0,0,0,0,0|2,0,0]=4 458 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [2,0,0,0,0,0|2,0,0]=4 459 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [2,0,0,0,0,0|2,0,0]=4 460 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [2,0,0,0,0,0|2,0,0]=4 461 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [2,0,0,0,0,0|2,0,0]=4 462 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [2,0,0,0,0,0|1,0,0]=3 463 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [2,0,0,0,0,0|1,0,0]=3 464 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [2,0,0,0,0,0|2,0,0]=4 465 B10R0.8 CCN(CC=O)CC(C)(C)C 2230a_100000732750_200015260668 [1,1,0,0,0,0|2,0,0]=4 466 B10R0.8 CCN(CC=O)CC(C)(C)C 269982a_100000732750_200015260668 [1,1,0,0,0,0|2,0,0]=4 467 B10R0.8 CCN(CC=O)CC(C)(C)O 2230a_100000755687_200015260668 [1,1,0,0,0,0|2,0,0]=4 468 B10R0.8 CCN(CC=O)CC(C)(C)O 269982a_100000755687_200015260668 [1,1,0,0,0,0|2,0,0]=4 469 B10R0.23 CC(C)CN(CC=O)C(C)C 2230a_100000737641_200015260668 [1,1,0,0,0,0|2,0,0]=4 470 B10R0.23 CC(C)CN(CC=O)C(C)C 269982a_100000737641_200015260668 [1,1,0,0,0,0|2,0,0]=4 471 B10R0.23 CCNC(CC(=O)O)C(C)C 269956a_100000695669_100000210202 [1,1,0,0,0,0|2,0,0]=4 472 B10R0.25 CCN(CC=O)C(C)C(C)C 2230a_100000746363_200015260668 [1,1,0,0,0,0|2,0,0]=4 473 B10R0.25 CCN(CC=O)C(C)C(C)C 269982a_100000746363_200015260668 [1,1,0,0,0,0|2,0,0]=4 474 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [1,1,0,0,0,0|2,0,0]=4 475 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [1,1,0,0,0,0|2,0,0]=4 476 B10R0.29 CCCC(CC)NC(=O)CO 240690a_100000747048_100000210174 [1,1,0,0,0,0|2,0,0]=4 477 B10R0.29 CCCC(CC)NC(=O)CO 527a_100000747048_100000210174 [1,1,0,0,0,0|2,0,0]=4 478 B10R0.29 CCCN(CC)CC(=O)OC 2230a_100000226822_100000747449 [1,1,0,0,0,0|2,0,0]=4 479 B10R0.29 CCCN(CC)CC(=O)OC 269982a_100000226822_100000747449 [1,1,0,0,0,0|2,0,0]=4 480 B10R0.29 CCC[C@@H](CO)NC(=O)CO 240690a_100000732646_100000210174 [1,1,0,0,0,0|2,0,0]=4 481 B10R0.29 CCC[C@@H](CO)NC(=O)CO 527a_100000732646_100000210174 [1,1,0,0,0,0|2,0,0]=4 482 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [1,1,0,0,0,0|2,0,0]=4 483 B10R0.29 CCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210202 [1,1,0,0,0,0|2,0,0]=4 484 B10R0.54 CCC(C)N(CC)CC(=O)O 269956a_100000746405_100000758301 [1,1,0,0,0,0|2,0,0]=4 485 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)NC 269956a_100020625877_200000210301 [1,1,0,0,0,0|2,0,0]=4 486 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)N[13CH3] 269956a_100020625877_200025704644 [1,1,0,0,0,0|2,0,0]=4 487 B10R0.79 C#CCN(CCC)CC(=O)O 269956a_100011236498_100000210207 [1,1,0,0,0,0|2,0,0]=4 488 B10R0.79 C=CCN(CCC)CC(=O)O 269956a_100000744315_100000210207 [1,1,0,0,0,0|2,0,0]=4 489 B10R0.79 CC(C)CN(CC=O)CCO 2230a_100015185251_200015260668 [1,1,0,0,0,0|2,0,0]=4 490 B10R0.79 CC(C)CN(CC=O)CCO 269982a_100015185251_200015260668 [1,1,0,0,0,0|2,0,0]=4 491 B10R0.79 CCCN(CCO)CC(=O)O 269956a_100000747938_100000210207 [1,1,0,0,0,0|2,0,0]=4 492 B10R0.79 CCN[C@H](CCO)CC(C)C 2230a_100161151251_100000210202 [1,1,0,0,0,0|1,0,1]=4 493 B10R0.87 C#CC(CC(C)C)OCC=O 34a_100011215986_200009817547 [1,1,0,0,0,0|1,0,1]=4 494 B10R0.87 C#CC(CC(C)C)OCC=O 7a_100011215986_200015260668 [1,1,0,0,0,0|1,0,1]=4 495 B10R0.87 C=CC(CC(C)C)OCC=O 34a_100012186643_200009817547 [1,1,0,0,0,0|1,0,1]=4 496 B10R0.87 C=CC(CC(C)C)OCC=O 7a_100012186643_200015260668 [1,1,0,0,0,0|1,0,1]=4 497 B10R0.87 C=CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210623 [1,1,0,0,0,0|2,0,0]=4 498 B10R0.87 C=CCN[C@H](CO)CC(C)C 34a_100011830311_100015514636 [1,1,0,0,0,0|2,0,0]=4 499 B10R0.87 CC(C)CC(C#N)NCC=O 2230a_100000741378_200015260668 [1,1,0,0,0,0|0,0,2]=4 500 B10R0.87 CC(C)CC(C#N)OCC=O 34a_200011294978_200009817547 [1,1,0,0,0,0|0,0,2]=4 501 B10R0.87 CC(C)CC(C#N)OCC=O 7a_200011294978_200015260668 [1,1,0,0,0,0|0,0,2]=4 502 B10R0.87 CC(C)CC(CN)COCF 34a_200000723437_100015361967 [1,1,0,0,0,0|1,0,1]=4 503 B10R0.87 CC(C)C[C@@H](CO)NCC=O 2230a_100011830311_200015260668 [1,1,0,0,0,0|1,0,0]=3 504 B10R0.87 CC(C)C[C@@H](CO)NCC=O 34a_100011830311_200009817547 [1,1,0,0,0,0|1,0,0]=3 505 B10R0.87 CC(C)C[C@@H](CO)NCCO 2230a_100011830311_100000211926 [1,1,0,0,0,0|1,0,1]=4 506 B10R0.87 CC(C)C[C@@H](CO)NCCO 34a_100011830311_100000211926 [1,1,0,0,0,0|1,0,1]=4 507 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [1,1,0,0,0,0|2,0,0]=4 508 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [1,1,0,0,0,0|2,0,0]=4 509 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [1,1,0,0,0,0|1,0,0]=3 510 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [1,1,0,0,0,0|1,0,0]=3 511 B10R0.87 CCN(CCCF)CC(=O)O 269956a_100000746405_100011934791 [1,1,0,0,0,0|2,0,0]=4 512 B10R0.87 CCN(CCCO)CC(=O)O 269956a_100000746405_100011215043 [1,1,0,0,0,0|2,0,0]=4 513 B10R0.87 CCN(CCOC)CC(=O)O 269956a_100000746405_100000233755 [1,1,0,0,0,0|2,0,0]=4 514 B10R0.87 CCN(CCSC)CC(=O)O 269956a_100000746405_100000212216 [1,1,0,0,0,0|2,0,0]=4 515 B10R0.87 CCOCC(CN)CC(C)C 34a_200000723437_100000210202 [1,1,0,0,0,0|1,0,1]=4 516 B10R0.87 CCOCN(CC)CC(=O)O 269956a_100000746405_100000739092 [1,1,0,0,0,0|2,0,0]=4 517 B10R0.87 CC[C@H](CC(=O)O)NCCF 269956a_100016995926_100011217306 [1,1,0,0,0,0|2,0,0]=4 518 B10R0.87 CC[C@H](CC(=O)O)NCCO 269956a_100016995926_100000211926 [1,1,0,0,0,0|2,0,0]=4 519 B10R0.87 CC[C@H](CC(=O)O)NCOC 269956a_100016995926_100000766300 [1,1,0,0,0,0|2,0,0]=4 520 B10R0.87 CC[C@H](CC(=O)O)NCSC 269956a_100016995926_100011218213 [1,1,0,0,0,0|2,0,0]=4 521 B10R0.87 COCN[C@H](CO)CC(=O)O 269956a_100009816507_100000766300 [1,1,0,0,0,0|2,0,0]=4 522 B10R0.87 CSCN[C@H](CO)CC(=O)O 269956a_100009816507_100011218213 [1,1,0,0,0,0|2,0,0]=4 523 B10R0.87 O=C(O)C[C@@H](CO)NCCF 269956a_100009816507_100011217306 [1,1,0,0,0,0|2,0,0]=4 524 B10R0.87 O=C(O)C[C@@H](CO)NCCO 269956a_100009816507_100000211926 [1,1,0,0,0,0|2,0,0]=4 525 B10R0.13 CC(=O)C(C)N(C)CC(C)C 2230a_100000747067_100009814033 [1,1,0,0,0,0|2,0,0]=4 526 B10R0.13 CC(=O)C(C)N(C)CC(C)C 269982a_100000747067_100009814033 [1,1,0,0,0,0|2,0,0]=4 527 B10R0.13 CC(=O)N(C)C(C)CC(C)C 11a_100000745462_100015343762 [1,1,0,0,0,0|2,0,0]=4 528 B10R0.13 CC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100015343762 [1,1,0,0,0,0|2,0,0]=4 529 B10R0.13 CC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100015343762 [1,1,0,0,0,0|2,0,0]=4 530 B10R0.13 CC(=O)N(C)C(C)CC(C)C 527a_100000745462_100103153847 [1,1,0,0,0,0|2,0,0]=4 531 B10R0.13 CC(C(=O)O)N(C)C[C@@H](C)O 269956a_100000749554_100009817552 [1,1,0,0,0,0|2,0,0]=4 532 B10R0.13 CC(C)C(C)N(C)CC(=O)N 2230a_100000228512_100000747473 [1,1,0,0,0,0|2,0,0]=4 533 B10R0.13 CC(C)C(C)N(C)CC(=O)N 269982a_100000228512_100000187820 [1,1,0,0,0,0|2,0,0]=4 534 B10R0.13 CC(C)C(C)N(C)CC(=O)[O-] 269982a_100000228512_100020667443 [1,1,0,0,0,0|1,0,1]=4 535 B10R0.13 CC(C)CN(C)C(C)C(=O)N 2230a_100000747067_100000702099 [1,1,0,0,0,0|2,0,0]=4 536 B10R0.13 CC(C)CN(C)C(C)C(=O)N 269982a_100000747067_100000184083 [1,1,0,0,0,0|2,0,0]=4 537 B10R0.13 CC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000210760 [1,1,0,0,0,0|1,0,0]=3 538 B10R0.13 CC(C)CN(C)C(F)C(=O)N 2230a_100000747067_100009813875 [1,1,0,0,0,0|2,0,0]=4 539 B10R0.13 CC(C)CN(C)C(F)C(=O)N 269982a_100000747067_100009813875 [1,1,0,0,0,0|2,0,0]=4 540 B10R0.13 CC(C)O[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210206 [1,1,0,0,0,0|2,0,0]=4 541 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [1,1,0,0,0,0|2,0,0]=4 542 B10R0.31 CC(=O)CC(C)CC(C)(C)C 1458a_100000239893_200000210301 [1,1,0,0,0,0|1,0,0]=3 543 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100015343762 [1,1,0,0,0,0|2,0,0]=4 544 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100015343762 [1,1,0,0,0,0|2,0,0]=4 545 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100015343762 [1,1,0,0,0,0|2,0,0]=4 546 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 527a_106358413534_100103153847 [1,1,0,0,0,0|2,0,0]=4 547 B10R0.31 CC(CC(=O)[13CH3])CC(C)(C)C 1458a_100000239893_200025704644 [1,1,0,0,0,0|1,0,0]=3 548 B10R0.31 CN(CC(=O)N)CC(C)(C)C 2230a_100000742839_100000747473 [1,1,0,0,0,0|2,0,0]=4 549 B10R0.31 CN(CC(=O)N)CC(C)(C)C 269982a_100000742839_100000187820 [1,1,0,0,0,0|2,0,0]=4 550 B10R0.31 CN(CC(=O)N)CC(C)(C)C 270004a_100000739694_100011204126 [1,1,0,0,0,0|2,0,0]=4 551 B10R0.31 CN(CC(=O)N)CC(C)(C)O 2230a_100000755907_100000747473 [1,1,0,0,0,0|2,0,0]=4 552 B10R0.31 CN(CC(=O)N)CC(C)(C)O 269982a_100000755907_100000187820 [1,1,0,0,0,0|2,0,0]=4 553 B10R0.31 CN(CC(=O)O)CC(C)(C)C 269956a_100000746989_100011219605 [1,1,0,0,0,0|1,0,0]=3 554 B10R0.31 CN(CC(=O)O)CC(C)(C)F 269956a_100000746989_100011997219 [1,1,0,0,0,0|1,0,0]=3 555 B10R0.31 CN(CC(=O)O)CC(C)(C)O 269956a_100000746989_100000764493 [1,1,0,0,0,0|1,0,0]=3 556 B10R0.31 CN(CC(=O)O)C[N+](C)(C)C 269956a_100000746989_200000036245 [1,1,0,0,0,0|2,0,0]=4 557 B10R0.31 CN(CC(=O)O)C[Si](C)(C)C 269956a_100000746989_100000037933 [1,1,0,0,0,0|1,1,0]=4 558 B10R0.31 CN(CC(=O)[O-])CC(C)(C)C 269982a_100000742839_100020667443 [1,1,0,0,0,0|1,0,1]=4 559 B10R0.31 CN(CC(=O)[O-])CC(C)(C)O 269982a_100000755907_100020667443 [1,1,0,0,0,0|1,0,1]=4 560 B10R0.44 C=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000185746 [1,1,0,0,0,0|2,0,0]=4 561 B10R0.44 C=CC(=O)NC(C)CC(C)C 240690a_100000692259_200121576911 [1,1,0,0,0,0|2,0,0]=4 562 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [1,1,0,0,0,0|1,0,0]=3 563 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [1,1,0,0,0,0|1,0,0]=3 564 B10R0.44 CC(CN(C)C)NC(=O)CO 240690a_100016992788_100000210174 [1,1,0,0,0,0|2,0,0]=4 565 B10R0.44 CC(CN(C)C)NC(=O)CO 527a_100016992788_100000210174 [1,1,0,0,0,0|2,0,0]=4 566 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [1,1,0,0,0,0|2,0,0]=4 567 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [1,1,0,0,0,0|2,0,0]=4 568 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [1,1,0,0,0,0|2,0,0]=4 569 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [1,1,0,0,0,0|2,0,0]=4 570 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [1,1,0,0,0,0|2,0,0]=4 571 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [1,1,0,0,0,0|2,0,0]=4 572 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [1,1,0,0,0,0|2,0,0]=4 573 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [1,1,0,0,0,0|2,0,0]=4 574 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [1,1,0,0,0,0|2,0,0]=4 575 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000739694_100000748023 [1,1,0,0,0,0|2,0,0]=4 576 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000753921_100000747473 [1,1,0,0,0,0|2,0,0]=4 577 B10R0.44 CCC(C)CN(C)CC(=O)N 269982a_100000753921_100000187820 [1,1,0,0,0,0|2,0,0]=4 578 B10R0.44 CCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243153 [1,1,0,0,0,0|2,0,0]=4 579 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [1,1,0,0,0,0|1,0,0]=3 580 B10R0.44 CCC(C)CN(C)CC(=O)[O-] 269982a_100000753921_100020667443 [1,1,0,0,0,0|1,0,1]=4 581 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [1,1,0,0,0,0|2,0,0]=4 582 B10R0.44 CC[C@H](C)CN(C)CC(=O)N 2230a_100000739694_100009816398 [1,1,0,0,0,0|2,0,0]=4 583 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [1,1,0,0,0,0|1,0,0]=3 584 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [1,1,0,0,0,0|2,0,0]=4 585 B10R0.44 CN(CC(=O)O)C[C@@H](O)CF 269956a_100000746989_100015614560 [1,1,0,0,0,0|2,0,0]=4 586 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [1,1,0,0,0,0|2,0,0]=4 587 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000189611_100000210760 [1,1,0,0,0,0|2,0,0]=4 588 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183359 [1,1,0,0,0,0|2,0,0]=4 589 B10R0.44 CNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183359 [1,1,0,0,0,0|2,0,0]=4 590 B10R0.44 CNC(=O)CN(C)CC(C)C 270004a_100000189611_100000210432 [1,1,0,0,0,0|2,0,0]=4 591 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100000692259_106832991635 [1,1,0,0,0,0|2,0,0]=4 592 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100102657272_100000692259 [1,1,0,0,0,0|2,0,0]=4 593 B10R0.44 CNC(=O)NC(C)CC(C)C 273464a_100000692259_100102657272 [1,1,0,0,0,0|2,0,0]=4 594 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_100000692259_100102657272 [1,1,0,0,0,0|2,0,0]=4 595 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_106832991638_100000692259 [1,1,0,0,0,0|2,0,0]=4 596 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [1,1,0,0,0,0|1,0,1]=4 597 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [1,1,0,0,0,0|1,0,1]=4 598 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [1,1,0,0,0,0|1,0,1]=4 599 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [1,1,0,0,0,0|1,0,1]=4 600 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [1,1,0,0,0,0|1,0,0]=3 601 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [1,1,0,0,0,0|1,0,0]=3 602 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [1,1,0,0,0,0|1,0,0]=3 603 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [1,1,0,0,0,0|1,0,0]=3 604 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [1,1,0,0,0,0|1,0,0]=3 605 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [1,1,0,0,0,0|1,0,0]=3 606 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [1,1,0,0,0,0|1,0,0]=3 607 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [1,1,0,0,0,0|1,0,0]=3 608 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [1,1,0,0,0,0|1,0,0]=3 609 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [1,1,0,0,0,0|2,0,0]=4 610 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [1,1,0,0,0,0|2,0,0]=4 611 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [1,1,0,0,0,0|2,0,0]=4 612 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [1,1,0,0,0,0|2,0,0]=4 613 B10R0.44 C[C@@H](CO)CN(C)CC(=O)N 2230a_100000739694_100000059175 [1,1,0,0,0,0|2,0,0]=4 614 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [1,1,0,0,0,0|1,0,0]=3 615 B10R0.165 CC(=O)CC(C)(C)OC(C)C 7a_100000210262_100000210206 [1,1,0,0,0,0|2,0,0]=4 616 B10R0.165 CC(=O)NC(C)(C)CC(C)C 11a_100011346068_100015343762 [1,1,0,0,0,0|2,0,0]=4 617 B10R0.165 CC(=O)NC(C)(C)CC(C)C 1626a_100011346068_100015343762 [1,1,0,0,0,0|2,0,0]=4 618 B10R0.165 CC(=O)NC(C)(C)CC(C)C 240690a_100011346068_100015343762 [1,1,0,0,0,0|2,0,0]=4 619 B10R0.165 CC(=O)NC(C)(C)CC(C)C 527a_100011346068_100103153847 [1,1,0,0,0,0|2,0,0]=4 620 B10R0.165 CC(C)NC(C)(C)CC(=O)N 2230a_100000763158_100000210206 [1,1,0,0,0,0|2,0,0]=4 621 B10R0.165 CC(C)NC(C)(C)CC(=O)O 269956a_100000755897_100000210206 [1,1,0,0,0,0|1,0,0]=3 622 B10R0.53 CC(C)[C@H](CO)NC(=O)CO 240690a_100011830312_100000210174 [0,1,0,0,1,0|2,0,0]=4 623 B10R0.53 CC(C)[C@H](CO)NC(=O)CO 527a_100011830312_100000210174 [0,1,0,0,1,0|2,0,0]=4 624 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,1,0,0,1,0|2,0,0]=4 625 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,1,0,0,1,0|2,0,0]=4 626 B10R0.53 CCC(NC(=O)CO)C(C)C 240690a_100000745074_100000210174 [0,1,0,0,1,0|2,0,0]=4 627 B10R0.53 CCC(NC(=O)CO)C(C)C 527a_100000745074_100000210174 [0,1,0,0,1,0|2,0,0]=4 628 B10R0.53 CCN(CC(=O)OC)C(C)C 2230a_100000223864_100000747449 [0,1,0,0,1,0|2,0,0]=4 629 B10R0.53 CCN(CC(=O)OC)C(C)C 269982a_100000223864_100000747449 [0,1,0,0,1,0|2,0,0]=4 630 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [0,1,0,0,1,0|2,0,0]=4 631 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,1,0,0,1,0|2,0,0]=4 632 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [0,1,0,0,1,0|2,0,0]=4 633 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,1,0,0,1,0|2,0,0]=4 634 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [0,1,0,0,1,0|2,0,0]=4 635 B10R0.95 CC(C)(C)CC(N[13CH3])C(=O)O 269956a_100000691758_200025704644 [0,1,0,0,1,0|2,0,0]=4 636 B10R0.95 CC(C)(C)NC(CO)C(=O)O 269956a_100000187304_100000211941 [0,1,0,0,1,0|2,0,0]=4 637 B10R0.95 CC(C)(F)C[C@H](N[13CH3])C(=O)O 269956a_100016039316_200025704644 [0,1,0,0,1,0|2,0,0]=4 638 B10R0.95 CC[C@@H](NC(C)(C)C)C(=O)O 269956a_100000747097_100000211941 [0,1,0,0,1,0|2,0,0]=4 639 B10R0.95 CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_200000210301 [0,1,0,0,1,0|2,0,0]=4 640 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_200000210301 [0,1,0,0,1,0|2,0,0]=4 641 B10R0.119 CCC(C)(NC(C)C)C(=O)O 269956a_100025756313_100000210206 [0,1,0,0,1,0|2,0,0]=4 642 B10R0.138 CC(C)(C)C(CC(=O)O)N[13CH3] 269956a_100000760478_200025704644 [0,1,0,0,1,0|2,0,0]=4 643 B10R0.138 CC(C)(C)N(CF)CC(=O)O 269956a_100000745166_100015361967 [0,1,0,0,1,0|2,0,0]=4 644 B10R0.138 CCN(CC(=O)O)C(C)(C)C 269956a_100000745166_100000210202 [0,1,0,0,1,0|2,0,0]=4 645 B10R0.138 CCN(CC(=O)O)C(C)(C)C 269956a_100000746405_100000211941 [0,1,0,0,1,0|2,0,0]=4 646 B10R0.138 CNC(CC(=O)O)C(C)(C)C 269956a_100000760478_200000210301 [0,1,0,0,1,0|2,0,0]=4 647 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [0,1,0,0,1,0|2,0,0]=4 648 B10R0.162 CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210206 [0,1,0,0,1,0|2,0,0]=4 649 B12R0.52 C#CCN(CCC(C)C)CC(=O)O 269956a_100011236498_100000210312 [0,1,0,0,0,1|2,0,0]=4 650 B12R0.52 C#CCN(COC(C)C)CC(=O)O 269956a_100011236498_100000709892 [0,1,0,0,0,1|2,0,0]=4 651 B12R0.52 C=CCN(CCC(C)C)CC(=O)O 269956a_100000744315_100000210312 [0,1,0,0,0,1|2,0,0]=4 652 B12R0.52 C=CCN(COC(C)C)CC(=O)O 269956a_100000744315_100000709892 [0,1,0,0,0,1|2,0,0]=4 653 B12R0.52 CC(C)CCN(CCO)CC(=O)O 269956a_100000747938_100000210312 [0,1,0,0,0,1|2,0,0]=4 654 B12R0.52 CC(C)C[C@@H](CCO)NCC(=O)N 2230a_100161151251_100000747473 [0,1,0,0,0,1|2,0,0]=4 655 B12R0.52 CC(C)OCN(CCO)CC(=O)O 269956a_100000747938_100000709892 [0,1,0,0,0,1|2,0,0]=4 656 B12R0.52 CCCC(CC(C)C)OCC(=O)N 34a_100011351045_100000187820 [0,1,0,0,0,1|2,0,0]=4 657 B12R0.52 CCCC(CC(C)C)OCC(=O)N 7a_100011351045_100000187820 [0,1,0,0,0,1|2,0,0]=4 658 B12R0.52 CCCC(CC(C)C)OCC(=O)[O-] 34a_100011351045_100020667443 [0,1,0,0,0,1|1,0,1]=4 659 B12R0.138 CC(C)C(CC(=O)O)NC[C@@H](C)O 269956a_100000695669_100009817552 [0,1,0,0,0,1|2,0,0]=4 660 B12R0.138 CC(C)CC(OCC(=O)N)C(C)C 34a_200011219802_100000187820 [0,1,0,0,0,1|2,0,0]=4 661 B12R0.138 CC(C)CC(OCC(=O)N)C(C)C 7a_200011219802_100000187820 [0,1,0,0,0,1|2,0,0]=4 662 B12R0.138 CC(C)CC(OCC(=O)[O-])C(C)C 34a_200011219802_100020667443 [0,1,0,0,0,1|1,0,1]=4 663 B12R0.138 CC(C)CNC(CC(=O)O)C(C)C 269956a_100000695669_100000210760 [0,1,0,0,0,1|1,0,0]=3 664 B12R0.138 CC(C)CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210760 [0,1,0,0,0,1|1,0,1]=4 665 B12R0.138 CC(C)C[C@H](NCC(=O)N)C(=O)N 2230a_100016989234_100000747473 [0,1,0,0,0,1|1,0,1]=4 666 B12R0.138 CC(C)C[C@H](NCC(=O)N)C(=O)N 34a_100016989234_100000187820 [0,1,0,0,0,1|1,0,1]=4 667 B12R0.138 CC(C)C[C@H](NCC(=O)[O-])C(=O)N 34a_100016989234_100020667443 [0,1,0,0,0,1|0,0,2]=4 668 B12R0.138 CC(O)CNC(CC(=O)O)C(C)C 269956a_100000695669_100011218427 [0,1,0,0,0,1|2,0,0]=4 669 B12R0.154 CCC(C)CC(CC)OCC(=O)N 7a_200011216566_100000187820 [0,1,0,0,0,1|2,0,0]=4 670 B12R0.154 CCN(CCC(C)C)CC(=O)OC 2230a_100000207693_100000747449 [0,1,0,0,0,1|2,0,0]=4 671 B12R0.154 CCN(CCC(C)C)CC(=O)OC 269982a_100000207693_100000747449 [0,1,0,0,0,1|2,0,0]=4 672 B12R0.154 CC[C@@H](CC(=O)OC)OCC(C)C 7a_200015357724_100000210760 [0,1,0,0,0,1|1,0,0]=3 673 B12R0.154 CC[C@@H](CC(=O)OC)OCC(C)O 7a_200015357724_100011218427 [0,1,0,0,0,1|2,0,0]=4 674 B12R0.154 CC[C@@H](CC(=O)OC)OC[C@@H](C)O 7a_200015357724_100009817552 [0,1,0,0,0,1|2,0,0]=4 675 B12R0.154 COC(=O)C[C@H](CCl)OCC(C)C 7a_100000754131_100000210760 [0,1,0,0,0,1|1,0,0]=3 676 B12R0.154 COC(=O)C[C@H](CCl)OCC(C)O 7a_100000754131_100011218427 [0,1,0,0,0,1|2,0,0]=4 677 B12R0.154 COC(=O)C[C@H](CCl)OC[C@@H](C)O 7a_100000754131_100009817552 [0,1,0,0,0,1|2,0,0]=4 678 B12R0.322 C#CC(CC(C)C)OCC(=O)OC 34a_100011215986_100000747449 [0,1,0,0,0,1|1,0,1]=4 679 B12R0.322 C#CC(CC(C)C)OCC(=O)OC 7a_100011215986_100000747449 [0,1,0,0,0,1|1,0,1]=4 680 B12R0.322 C=CC(=O)NCC(CO)CC(C)C 240690a_200000723437_200121576911 [0,1,0,0,0,1|2,0,0]=4 681 B12R0.322 C=CC(CC(C)C)OCC(=O)OC 34a_100012186643_100000747449 [0,1,0,0,0,1|1,0,1]=4 682 B12R0.322 C=CC(CC(C)C)OCC(=O)OC 7a_100012186643_100000747449 [0,1,0,0,0,1|1,0,1]=4 683 B12R0.322 CC(C)CC(CN)COC(C)CO 34a_200000723437_100012180447 [0,1,0,0,0,1|1,0,1]=4 684 B12R0.322 CC(C)CC(CO)CNC(=O)CO 240690a_200000723437_100000210174 [0,1,0,0,0,1|1,0,0]=3 685 B12R0.322 CC(C)CC(CO)CNC(=O)CO 527a_200000723437_100000210174 [0,1,0,0,0,1|1,0,0]=3 686 B12R0.322 CCC(=O)NCC(CO)CC(C)C 240690a_200000723437_100000210414 [0,1,0,0,0,1|2,0,0]=4 687 B12R0.322 CCC(=O)NCC(CO)CC(C)C 527a_200000723437_100000210414 [0,1,0,0,0,1|2,0,0]=4 688 B12R0.322 CCC(C)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000748023 [0,1,0,0,0,1|1,0,0]=3 689 B12R0.322 CCC(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000748023 [0,1,0,0,0,1|1,0,0]=3 690 B12R0.322 CCC(O)CN[C@H](CC)CC(=O)O 269956a_100016995926_100011218378 [0,1,0,0,0,1|2,0,0]=4 691 B12R0.322 CCC(O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011218378 [0,1,0,0,0,1|2,0,0]=4 692 B12R0.322 CCN(CCC(=O)OC)CC(C)C 2230a_100000229097_100000210760 [0,1,0,0,0,1|2,0,0]=4 693 B12R0.322 CCN(CCC(=O)OC)CC(C)C 2230a_100000738554_100000204255 [0,1,0,0,0,1|2,0,0]=4 694 B12R0.322 CCN(CCC(=O)OC)CC(C)C 269982a_100000229097_100000210624 [0,1,0,0,0,1|2,0,0]=4 695 B12R0.322 CCN(CCC(=O)OC)CC(C)C 269982a_100000738554_100000204255 [0,1,0,0,0,1|2,0,0]=4 696 B12R0.322 CCN(CCC(=O)OC)CC(C)C 270004a_100000229097_100000210432 [0,1,0,0,0,1|2,0,0]=4 697 B12R0.322 CC[C@H](C)CN[C@H](CC)CC(=O)O 269956a_100016995926_100009816398 [0,1,0,0,0,1|1,0,0]=3 698 B12R0.322 CC[C@H](C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100009816398 [0,1,0,0,0,1|1,0,0]=3 699 B12R0.322 CC[C@H](CC(=O)O)NCC(O)CO 269956a_100016995926_100011219619 [0,1,0,0,0,1|2,0,0]=4 700 B12R0.322 CC[C@H](CC(=O)O)NC[C@@H](C)CO 269956a_100016995926_100000059175 [0,1,0,0,0,1|1,0,0]=3 701 B12R0.322 CC[C@H](CC(=O)O)NC[C@@H](O)CF 269956a_100016995926_100015614560 [0,1,0,0,0,1|2,0,0]=4 702 B12R0.322 CC[C@H](CC(=O)O)NC[C@@H](O)CO 269956a_100016995926_100009815848 [0,1,0,0,0,1|2,0,0]=4 703 B12R0.322 CNC(=O)CN[C@H](CO)CC(C)C 2230a_100011830311_100000183359 [0,1,0,0,0,1|2,0,0]=4 704 B12R0.322 CNC(=O)CN[C@H](CO)CC(C)C 34a_100011830311_100000183359 [0,1,0,0,0,1|2,0,0]=4 705 B12R0.322 CNC(=O)NCC(CO)CC(C)C 2708a_100102657272_200000723437 [0,1,0,0,0,1|2,0,0]=4 706 B12R0.322 CNC(=O)NCC(CO)CC(C)C 273464a_100102657272_200000723437 [0,1,0,0,0,1|2,0,0]=4 707 B12R0.322 CNC(=O)NCC(CO)CC(C)C 273464a_200000723437_100102657272 [0,1,0,0,0,1|2,0,0]=4 708 B12R0.322 CNC(=O)NCC(CO)CC(C)C 512a_106832991638_200000723437 [0,1,0,0,0,1|2,0,0]=4 709 B12R0.322 CNC(=O)NCC(CO)CC(C)C 512a_200000723437_100102657272 [0,1,0,0,0,1|2,0,0]=4 710 B12R0.322 COC(=O)CNC(C#N)CC(C)C 2230a_100000741378_100000747449 [0,1,0,0,0,1|0,0,2]=4 711 B12R0.322 COC(=O)CN[C@H](CO)CC(C)C 2230a_100011830311_100000747449 [0,1,0,0,0,1|1,0,0]=3 712 B12R0.322 COC(=O)CN[C@H](CO)CC(C)C 34a_100011830311_100000747449 [0,1,0,0,0,1|1,0,0]=3 713 B12R0.322 COC(=O)COC(C#N)CC(C)C 34a_200011294978_100000747449 [0,1,0,0,0,1|0,0,2]=4 714 B12R0.322 COC(=O)COC(C#N)CC(C)C 7a_200011294978_100000747449 [0,1,0,0,0,1|0,0,2]=4 715 B12R0.322 C[C@@H](CO)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000059175 [0,1,0,0,0,1|1,0,0]=3 716 B12R0.322 O=C(O)C[C@@H](CO)NCC(O)CO 269956a_100009816507_100011219619 [0,1,0,0,0,1|2,0,0]=4 717 B12R0.322 O=C(O)C[C@@H](CO)NC[C@@H](O)CF 269956a_100009816507_100015614560 [0,1,0,0,0,1|2,0,0]=4 718 B12R0.322 O=C(O)C[C@@H](CO)NC[C@@H](O)CO 269956a_100009816507_100009815848 [0,1,0,0,0,1|2,0,0]=4 719 B12R0.347 CCC(C)(CC(C)C)OCC(=O)N 7a_200011215086_100000187820 [0,1,0,0,0,1|2,0,0]=4 720 B12R0.631 CC(=O)C(C)N[C@H](CO)CC(C)C 2230a_100011830311_100009814033 [0,1,0,0,0,1|2,0,0]=4 721 B12R0.631 CC(C)C[C@@H](CO)NC(C)C(=O)N 2230a_100011830311_100000702099 [0,1,0,0,0,1|2,0,0]=4 722 B12R0.631 CC(C)C[C@@H](CO)NC(C)C(=O)N 34a_100011830311_100000702099 [0,1,0,0,0,1|2,0,0]=4 723 B12R0.631 CC(C)C[C@@H](CO)NC(F)C(=O)N 2230a_100011830311_100009813875 [0,1,0,0,0,1|2,0,0]=4 724 B12R0.631 CC(C)C[C@@H](CO)NC(F)C(=O)N 34a_100011830311_100009813875 [0,1,0,0,0,1|2,0,0]=4 725 B12R0.631 CC(C)C[C@@H](CO)NC(F)C(=O)[O-] 34a_100011830311_100020610796 [0,1,0,0,0,1|1,0,1]=4 726 B12R0.631 CCN(CC(=O)O)CC(=O)C(C)C 269956a_100000746405_100000753385 [0,1,0,0,0,1|2,0,0]=4 727 B12R0.665 CC(C)(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011219605 [0,1,0,0,0,1|1,0,0]=3 728 B12R0.665 CC(C)(C)OC[C@@H](CC(=O)O)N[13CH3] 269956a_200020642222_200025704644 [0,1,0,0,0,1|2,0,0]=4 729 B12R0.665 CC(C)(F)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011997219 [0,1,0,0,0,1|1,0,0]=3 730 B12R0.665 CC(C)(O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000764493 [0,1,0,0,0,1|1,0,0]=3 731 B12R0.665 CCN(CCC(C)(C)C)CC(=O)O 269956a_100000746405_100000755188 [0,1,0,0,0,1|2,0,0]=4 732 B12R0.665 CCN(CCC(C)(C)O)CC(=O)O 269956a_100000746405_100000702414 [0,1,0,0,0,1|2,0,0]=4 733 B12R0.665 CC[C@H](CC(=O)O)NCC(C)(C)C 269956a_100016995926_100011219605 [0,1,0,0,0,1|1,0,0]=3 734 B12R0.665 CC[C@H](CC(=O)O)NCC(C)(C)F 269956a_100016995926_100011997219 [0,1,0,0,0,1|1,0,0]=3 735 B12R0.665 CC[C@H](CC(=O)O)NCC(C)(C)O 269956a_100016995926_100000764493 [0,1,0,0,0,1|1,0,0]=3 736 B12R0.665 CC[C@H](CC(=O)O)NC[N+](C)(C)C 269956a_100016995926_200000036245 [0,1,0,0,0,1|2,0,0]=4 737 B12R0.665 CC[C@H](CC(=O)O)NC[Si](C)(C)C 269956a_100016995926_100000037933 [0,1,0,0,0,1|1,1,0]=4 738 B12R0.665 CN[C@@H](COC(C)(C)C)CC(=O)O 269956a_200020642222_200000210301 [0,1,0,0,0,1|2,0,0]=4 739 B12R0.665 C[N+](C)(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_200000036245 [0,1,0,0,0,1|2,0,0]=4 740 B12R0.665 C[Si](C)(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000037933 [0,1,0,0,0,1|1,1,0]=4 741 B12R0.870 CCN(CC(=O)O)C(C)CC(C)C 269956a_100000746405_100000731052 [0,1,0,0,0,1|2,0,0]=4 742 B12R0.151 CC(C)C(CC(=O)O)N[C@H](C)CO 269956a_100000695669_100016084084 [0,2,0,0,0,0|2,0,0]=4 743 B12R0.151 CC(C)C[C@H](NC(=O)CO)C(=O)N 240690a_100016989234_100000210174 [0,2,0,0,0,0|1,0,1]=4 744 B12R0.151 CC(C)C[C@H](NC(=O)CO)C(=O)N 527a_100016989234_100000210174 [0,2,0,0,0,0|1,0,1]=4 745 B12R0.151 CCC(C)NC(CC(=O)O)C(C)C 269956a_100000695669_100000758301 [0,2,0,0,0,0|2,0,0]=4 746 B12R0.151 COC(=O)CN(CC(C)C)C(C)C 2230a_100000737641_100000747449 [0,2,0,0,0,0|2,0,0]=4 747 B12R0.151 COC(=O)CN(CC(C)C)C(C)C 269982a_100000737641_100000747449 [0,2,0,0,0,0|2,0,0]=4 748 B12R0.151 COC(C)NC(CC(=O)O)C(C)C 269956a_100000695669_100009879195 [0,2,0,0,0,0|2,0,0]=4 749 B12R0.180 CC[C@H](C)[C@@H](CC(=O)O)NC(C)C 269956a_100020625877_100000210206 [0,2,0,0,0,0|2,0,0]=4 750 B12R0.386 CC(C)CN(CC(=O)O)C(C)(C)C 269956a_100000745166_100000210760 [0,2,0,0,0,0|2,0,0]=4 751 B12R0.386 CC(C)NC(CC(=O)O)C(C)(C)C 269956a_100000760478_100000210206 [0,2,0,0,0,0|2,0,0]=4 752 B12R0.386 CC(C)NC(CC(=O)O)C(F)(F)F 269956a_100020591486_100000210206 [0,2,0,0,0,0|2,0,0]=4 753 B12R0.393 CC(C)C(CC(=O)O)NC(C)(C)C 269956a_100000695669_100000211941 [0,2,0,0,0,0|2,0,0]=4 754 B12R0.41 CC(=O)CC(CC(=O)N)CC(C)C 1458a_100000088906_200000210301 [0,2,0,0,0,0|1,0,0]=3 755 B12R0.41 CC(C)CC(CC(=O)[13CH3])CC(=O)N 1458a_100000088906_200025704644 [0,2,0,0,0,0|1,0,0]=3 756 B12R0.41 CC(C)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000210760 [0,2,0,0,0,0|2,0,0]=4 757 B12R0.53 CC(C)CN(CCO)C(C)C(=O)O 269956a_100011300695_100000210760 [0,2,0,0,0,0|2,0,0]=4 758 B12R0.242 CC(C)CN(CCC#N)CC(=O)O 269956a_100011218032_100000210760 [0,2,0,0,0,0|1,0,1]=4 759 B12R0.398 C#CCN(CC(=O)O)CC(C)(C)C 269956a_100011236498_100011219605 [0,2,0,0,0,0|2,0,0]=4 760 B12R0.398 C#CCN(CC(=O)O)CC(C)(C)F 269956a_100011236498_100011997219 [0,2,0,0,0,0|2,0,0]=4 761 B12R0.398 C#CCN(CC(=O)O)CC(C)(C)O 269956a_100011236498_100000764493 [0,2,0,0,0,0|2,0,0]=4 762 B12R0.398 C=CCN(CC(=O)O)CC(C)(C)C 269956a_100000744315_100011219605 [0,2,0,0,0,0|2,0,0]=4 763 B12R0.398 C=CCN(CC(=O)O)CC(C)(C)F 269956a_100000744315_100011997219 [0,2,0,0,0,0|2,0,0]=4 764 B12R0.398 C=CCN(CC(=O)O)CC(C)(C)O 269956a_100000744315_100000764493 [0,2,0,0,0,0|2,0,0]=4 765 B12R0.398 CC(C)(C)CN(CCO)CC(=O)O 269956a_100000747938_100011219605 [0,2,0,0,0,0|2,0,0]=4 766 B12R0.398 CC(C)(F)CN(CCO)CC(=O)O 269956a_100000747938_100011997219 [0,2,0,0,0,0|2,0,0]=4 767 B12R0.398 CC(C)(O)CN(CCO)CC(=O)O 269956a_100000747938_100000764493 [0,2,0,0,0,0|2,0,0]=4 768 B12R0.399 C#CCN(CC(=O)O)CC(C)CC 269956a_100011236498_100000748023 [0,2,0,0,0,0|2,0,0]=4 769 B12R0.399 C#CCN(CC(=O)O)C[C@@H](C)CC 269956a_100011236498_100009816398 [0,2,0,0,0,0|2,0,0]=4 770 B12R0.399 C#CCN(CC(=O)O)C[C@@H](C)CO 269956a_100011236498_100000059175 [0,2,0,0,0,0|2,0,0]=4 771 B12R0.399 C=CCN(CC(=O)O)CC(C)CC 269956a_100000744315_100000748023 [0,2,0,0,0,0|2,0,0]=4 772 B12R0.399 C=CCN(CC(=O)O)C[C@@H](C)CC 269956a_100000744315_100009816398 [0,2,0,0,0,0|2,0,0]=4 773 B12R0.399 C=CCN(CC(=O)O)C[C@@H](C)CO 269956a_100000744315_100000059175 [0,2,0,0,0,0|2,0,0]=4 774 B12R0.399 CC(C)C[C@@H](CCO)NC(=O)CO 240690a_100161151251_100000210174 [0,2,0,0,0,0|2,0,0]=4 775 B12R0.399 CC(C)C[C@@H](CCO)NC(=O)CO 527a_100161151251_100000210174 [0,2,0,0,0,0|2,0,0]=4 776 B12R0.399 CCC(C)CN(CCO)CC(=O)O 269956a_100000747938_100000748023 [0,2,0,0,0,0|2,0,0]=4 777 B12R0.399 CCCC(CC(=O)OC)OC(C)C 7a_100000065524_100000210206 [0,2,0,0,0,0|2,0,0]=4 778 B12R0.399 CC[C@H](C)CN(CCO)CC(=O)O 269956a_100000747938_100009816398 [0,2,0,0,0,0|2,0,0]=4 779 B12R0.399 COC(=O)CN(CCO)CC(C)C 2230a_100015185251_100000747449 [0,2,0,0,0,0|2,0,0]=4 780 B12R0.399 COC(=O)CN(CCO)CC(C)C 269982a_100015185251_100000747449 [0,2,0,0,0,0|2,0,0]=4 781 B12R0.399 C[C@@H](CO)CN(CCO)CC(=O)O 269956a_100000747938_100000059175 [0,2,0,0,0,0|2,0,0]=4 782 B12R0.18 C=COC(=O)CN(CC)CC(C)C 2230a_100000738554_100000036128 [0,2,0,0,0,0|2,0,0]=4 783 B12R0.18 C=COC(=O)CN(CC)CC(C)C 269982a_100000738554_100000036128 [0,2,0,0,0,0|2,0,0]=4 784 B12R0.18 CC(C)C[C@@H](CO)NC(=O)CCO 240690a_100011830311_100011216618 [0,2,0,0,0,0|2,0,0]=4 785 B12R0.18 CC(CC#N)N[C@H](CO)CC(=O)O 269956a_100009816507_100009813641 [0,2,0,0,0,0|2,0,0]=4 786 B12R0.18 CC(CCO)N[C@H](CO)CC(=O)O 269956a_100009816507_100009893172 [0,2,0,0,0,0|2,0,0]=4 787 B12R0.18 CCCC(C)CN(CC)CC(=O)O 269956a_100000746405_100011216630 [0,2,0,0,0,0|2,0,0]=4 788 B12R0.18 CCCC(C)N[C@H](CC)CC(=O)O 269956a_100016995926_100000766640 [0,2,0,0,0,0|2,0,0]=4 789 B12R0.18 CCCC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000766640 [0,2,0,0,0,0|2,0,0]=4 790 B12R0.18 CCN(CC(=O)NCO)CC(C)C 2230a_100000738554_100000185155 [0,2,0,0,0,0|2,0,0]=4 791 B12R0.18 CCN(CC(=O)NCO)CC(C)C 269982a_100000738554_100000185155 [0,2,0,0,0,0|2,0,0]=4 792 B12R0.18 CCOC(=O)CN(CC)CC(C)C 2230a_100000220607_100000210760 [0,2,0,0,0,0|2,0,0]=4 793 B12R0.18 CCOC(=O)CN(CC)CC(C)C 2230a_100000738554_100000188475 [0,2,0,0,0,0|2,0,0]=4 794 B12R0.18 CCOC(=O)CN(CC)CC(C)C 269982a_100000220607_100000210624 [0,2,0,0,0,0|2,0,0]=4 795 B12R0.18 CCOC(=O)CN(CC)CC(C)C 269982a_100000738554_100000188475 [0,2,0,0,0,0|2,0,0]=4 796 B12R0.18 CCOC(=O)CN(CC)CC(C)C 270004a_100000220607_100000210432 [0,2,0,0,0,0|2,0,0]=4 797 B12R0.18 CCOC(=O)C[C@@H](CCl)OC(C)C 7a_100000688340_100000210206 [0,2,0,0,0,0|2,0,0]=4 798 B12R0.18 CC[C@H](CC(=O)O)NC(C)CC#N 269956a_100016995926_100009813641 [0,2,0,0,0,0|2,0,0]=4 799 B12R0.18 CC[C@H](CC(=O)O)NC(C)CCO 269956a_100016995926_100009893172 [0,2,0,0,0,0|2,0,0]=4 800 B12R0.18 CC[C@H](CC(=O)O)NC(C)COC 269956a_100016995926_100000765312 [0,2,0,0,0,0|2,0,0]=4 801 B12R0.18 COCC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100000210968 [0,2,0,0,0,0|2,0,0]=4 802 B12R0.18 COCC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100000210968 [0,2,0,0,0,0|2,0,0]=4 803 B12R0.18 COCC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000765312 [0,2,0,0,0,0|2,0,0]=4 804 B12R0.85 CCN(CC(C)C)C(C)C(=O)OC 2230a_100000738554_100000211248 [0,2,0,0,0,0|2,0,0]=4 805 B12R0.85 CCN(CC(C)C)C(C)C(=O)OC 269982a_100000738554_100000211248 [0,2,0,0,0,0|2,0,0]=4 806 B12R0.152 CCN(CC(=O)OC)C(C)C(C)C 2230a_100000746363_100000747449 [0,2,0,0,0,0|2,0,0]=4 807 B12R0.152 CCN(CC(=O)OC)C(C)C(C)C 269982a_100000746363_100000747449 [0,2,0,0,0,0|2,0,0]=4 808 B12R0.157 CCC(C)O[C@@H](CC)CC(=O)OC 7a_200015357724_100000758301 [0,2,0,0,0,0|2,0,0]=4 809 B12R0.157 CCC(C)O[C@@H](CCl)CC(=O)OC 7a_100000754131_100000758301 [0,2,0,0,0,0|2,0,0]=4 810 B12R0.157 CC[C@@H](CC(=O)OC)OC(C)CO 7a_200015357724_100012180447 [0,2,0,0,0,0|2,0,0]=4 811 B12R0.157 COC(=O)C[C@H](CCl)OC(C)CO 7a_100000754131_100012180447 [0,2,0,0,0,0|2,0,0]=4 812 B12R0.463 CCN(CC(=O)OC)CC(C)(C)C 2230a_100000732750_100000747449 [0,2,0,0,0,0|2,0,0]=4 813 B12R0.463 CCN(CC(=O)OC)CC(C)(C)C 269982a_100000732750_100000747449 [0,2,0,0,0,0|2,0,0]=4 814 B12R0.463 CCN(CC(=O)OC)CC(C)(C)O 2230a_100000755687_100000747449 [0,2,0,0,0,0|2,0,0]=4 815 B12R0.463 CCN(CC(=O)OC)CC(C)(C)O 269982a_100000755687_100000747449 [0,2,0,0,0,0|2,0,0]=4 816 B12R0.622 CCC(CC)CN(CC)CC(=O)O 269956a_100000746405_100011215472 [0,2,0,0,0,0|2,0,0]=4 817 B12R0.622 CCC(CC)N[C@H](CC)CC(=O)O 269956a_100016995926_100000210505 [0,2,0,0,0,0|2,0,0]=4 818 B12R0.622 CCC(CC)N[C@H](CO)CC(=O)O 269956a_100009816507_100000210505 [0,2,0,0,0,0|2,0,0]=4 819 B12R0.622 CCN(CC(=O)O)CC(OC)OC 269956a_100000746405_100000751394 [0,2,0,0,0,0|2,0,0]=4 820 B12R0.630 C#CC(C)(C)N[C@H](CC)CC(=O)O 269956a_100016995926_100000038118 [0,2,0,0,0,0|2,0,0]=4 821 B12R0.630 C#CC(C)(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000038118 [0,2,0,0,0,0|2,0,0]=4 822 B12R0.630 CCC(C)(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000032637 [0,2,0,0,0,0|2,0,0]=4 823 B12R0.630 CCN(CC(=O)O)CC(C)(C)CO 269956a_100000746405_100009813988 [0,2,0,0,0,0|2,0,0]=4 824 B12R0.630 CCN(CC(=O)O)CC(C)(C)OC 269956a_100000746405_100000701081 [0,2,0,0,0,0|2,0,0]=4 825 B12R0.630 CC[C@H](CC(=O)O)NC(C)(C)CC 269956a_100016995926_100000032637 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.10 CC1CNCC(C1)CO[13CH3] 34a_200012821172_200025704644 [1,0,0,1,0,0|2,0,0]=4 827 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|2,0,0]=4 828 B10R1.10 COCC1CNCC(C1)C 34a_200012821172_200000210301 [1,0,0,1,0,0|2,0,0]=4 829 B10R1.10 C[C@H]1CCCN(C1)CC=O 2230a_100000717927_200015260668 [1,0,0,1,0,0|2,0,0]=4 830 B10R1.10 C[C@H]1CCCN(C1)CC=O 269982a_100000717927_200015260668 [1,0,0,1,0,0|2,0,0]=4 831 B10R1.10 C[C@H]1CCCN(C1)CC=O 34a_100000717927_200009817547 [1,0,0,1,0,0|2,0,0]=4 832 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|2,0,0]=4 833 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|2,0,0]=4 834 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|2,0,0]=4 835 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|2,0,0]=4 836 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|2,0,0]=4 837 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|2,0,0]=4 838 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|2,0,0]=4 839 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,1,0,0|2,0,0]=4 840 B10R1.54 CC(C)CN1CNC(=O)C1 2230a_200000708111_100000210760 [1,0,0,1,0,0|1,0,0]=3 841 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [1,0,0,1,0,0|1,0,0]=3 842 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [1,0,0,1,0,0|2,0,0]=4 843 B10R1.54 CC(C)OC1CNC(=O)C1 34a_100000690082_100000210206 [1,0,0,1,0,0|1,0,0]=3 844 B10R1.54 CC(O)CN1CNC(=O)C1 2230a_200000708111_100011218427 [1,0,0,1,0,0|2,0,0]=4 845 B10R1.54 CN(C)CC1CNC(=O)O1 2230a_100102631434_100000181169 [1,0,0,1,0,0|2,0,0]=4 846 B10R1.54 CN(C)CC1CNC(=O)O1 269982a_100102631434_100000181169 [1,0,0,1,0,0|2,0,0]=4 847 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [1,0,0,1,0,0|2,0,0]=4 848 B10R1.54 C[C@@H](O)CN1CNC(=O)C1 2230a_200000708111_100009817552 [1,0,0,1,0,0|2,0,0]=4 849 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [1,0,0,1,0,0|2,0,0]=4 850 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|2,0,0]=4 851 B10R1.95 CC1(CCN(C1)CC=O)C 2230a_100000764714_200015260668 [1,0,0,1,0,0|2,0,0]=4 852 B10R1.95 CC1(CCN(C1)CC=O)C 269982a_100000764714_200015260668 [1,0,0,1,0,0|2,0,0]=4 853 B10R1.374 CCN(CC(=O)O)C1CC1 269956a_100000746405_100000211595 [1,0,0,1,0,0|2,0,0]=4 854 B10R1.394 CNCC1(CC1)CC(=O)O 269956a_100020588786_200000210301 [1,0,0,1,0,0|2,0,0]=4 855 B10R1.394 [13CH3]NCC1(CC1)CC(=O)O 269956a_100020588786_200025704644 [1,0,0,1,0,0|2,0,0]=4 856 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [1,0,0,1,0,0|2,0,0]=4 857 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [1,0,0,1,0,0|2,0,0]=4 858 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [1,0,0,1,0,0|2,0,0]=4 859 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [1,0,0,1,0,0|2,0,0]=4 860 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000739694_100000742324 [1,0,0,1,0,0|2,0,0]=4 861 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000741881_100000747473 [1,0,0,1,0,0|2,0,0]=4 862 B10R1.268 CN(CC(=O)N)CC1CC1 269982a_100000741881_100000187820 [1,0,0,1,0,0|2,0,0]=4 863 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [1,0,0,1,0,0|1,0,0]=3 864 B10R1.268 CN(CC(=O)O)CC1CO1 269956a_100000746989_102125554688 [1,0,0,1,0,0|2,0,0]=4 865 B10R1.268 CN(CC(=O)O)CC1CS1 269956a_100000746989_100000031435 [1,0,0,1,0,0|2,0,0]=4 866 B10R1.268 CN(CC(=O)O)C[C@@H]1CO1 269956a_100000746989_100000745022 [1,0,0,1,0,0|2,0,0]=4 867 B10R1.268 CN(CC(=O)[O-])CC1CC1 269982a_100000741881_100020667443 [1,0,0,1,0,0|1,0,1]=4 868 B10R1.371 CC1(CN(C1)CC(=O)N)C 2230a_100000753659_100000747473 [1,0,0,1,0,0|2,0,0]=4 869 B10R1.371 CC1(CN(C1)CC(=O)N)C 269982a_100000753659_100000187820 [1,0,0,1,0,0|2,0,0]=4 870 B10R1.371 CC1(CN(C1)CC(=O)[O-])C 269982a_100000753659_100020667443 [1,0,0,1,0,0|1,0,1]=4 871 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,1,0|2,0,0]=4 872 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,0,0,1,1,0|2,0,0]=4 873 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,1,0|2,0,0]=4 874 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,0,0,1,1,0|2,0,0]=4 875 B10R1.442 CC(C)NC1(CC1)C(=O)O 269956a_100000746478_100000210206 [0,0,0,1,1,0|2,0,0]=4 876 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,0,0,1,1,0|2,0,0]=4 877 B10R1.469 O=C(O)C(CO)NC1CC1 269956a_100000187304_100000211595 [0,0,0,1,1,0|2,0,0]=4 878 B12R1.11 CC(=O)N1CC(CC(C1)CO)C 240690a_200012821172_100015343762 [0,0,0,1,0,1|2,0,0]=4 879 B12R1.11 CC(=O)N1CC(CC(C1)CO)C 527a_200012821172_100103153847 [0,0,0,1,0,1|2,0,0]=4 880 B12R1.46 CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210202 [0,0,0,1,0,1|2,0,0]=4 881 B12R1.46 C[C@@H]1CCN([C@H](C1)C(=O)O)CF 269956a_100009817619_100015361967 [0,0,0,1,0,1|2,0,0]=4 882 B12R1.226 CC(C)CCN1CCOC(=O)C1 2230a_100000131268_100000210312 [0,0,0,1,0,1|2,0,0]=4 883 B12R1.226 CC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000210760 [0,0,0,1,0,1|2,0,0]=4 884 B12R1.226 CC(C)CNC1CCNC(=O)C1 34a_100016994916_100000210624 [0,0,0,1,0,1|2,0,0]=4 885 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [0,0,0,1,0,1|2,0,0]=4 886 B12R1.226 CC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210624 [0,0,0,1,0,1|2,0,0]=4 887 B12R1.226 CC(C)OCC1CCNC(=O)C1 34a_100009886756_100000210206 [0,0,0,1,0,1|2,0,0]=4 888 B12R1.226 CC(C)OCN1CCOC(=O)C1 2230a_100000131268_100000709892 [0,0,0,1,0,1|2,0,0]=4 889 B12R1.226 CC1CCCC(C1)NCC(=O)N 2230a_100011194320_100000747473 [0,0,0,1,0,1|2,0,0]=4 890 B12R1.226 CC1CCCC(C1)NCC(=O)N 34a_100011194320_100000187820 [0,0,0,1,0,1|2,0,0]=4 891 B12R1.226 CC1CCCC(C1)NCC(=O)[O-] 34a_100011194320_100020667443 [0,0,0,1,0,1|1,0,1]=4 892 B12R1.226 CC1CCCC(C1)OCC(=O)N 34a_100000211399_100000187820 [0,0,0,1,0,1|2,0,0]=4 893 B12R1.226 CC1CCCC(C1)OCC(=O)[O-] 34a_100000211399_100020667443 [0,0,0,1,0,1|1,0,1]=4 894 B12R1.389 CC(=O)CC1CCN(C1)C(C)C 1458a_100000070787_100015187125 [0,0,0,1,0,1|2,0,0]=4 895 B12R1.389 CC(C)N1CCC(C1)CC(=O)O 269956a_100000719201_100000210206 [0,0,0,1,0,1|1,0,0]=3 896 B12R1.389 CC(C)N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210206 [0,0,0,1,0,1|2,0,0]=4 897 B12R1.1804 CC(C)CCN1CCC1C(=O)O 269956a_100000021838_100000210312 [0,0,0,1,0,1|2,0,0]=4 898 B12R1.1804 CC(C)OCN1CCC1C(=O)O 269956a_100000021838_100000709892 [0,0,0,1,0,1|2,0,0]=4 899 B12R1.2104 CCN(CCC1CC1)CC(=O)O 269956a_100000746405_100000694398 [0,0,0,1,0,1|2,0,0]=4 900 B12R1.2104 CC[C@H](CC(=O)O)NCC1CC1 269956a_100016995926_100000742324 [0,0,0,1,0,1|1,0,0]=3 901 B12R1.2104 CC[C@H](CC(=O)O)NCC1CO1 269956a_100016995926_102125554688 [0,0,0,1,0,1|2,0,0]=4 902 B12R1.2104 CC[C@H](CC(=O)O)NCC1CS1 269956a_100016995926_100000031435 [0,0,0,1,0,1|2,0,0]=4 903 B12R1.2104 CC[C@H](CC(=O)O)NC[C@@H]1CO1 269956a_100016995926_100000745022 [0,0,0,1,0,1|2,0,0]=4 904 B12R1.2104 O=C(O)C[C@@H](CO)NCC1CC1 269956a_100009816507_100000742324 [0,0,0,1,0,1|1,0,0]=3 905 B12R1.2104 O=C(O)C[C@@H](CO)NCC1CO1 269956a_100009816507_102125554688 [0,0,0,1,0,1|2,0,0]=4 906 B12R1.2104 O=C(O)C[C@@H](CO)NCC1CS1 269956a_100009816507_100000031435 [0,0,0,1,0,1|2,0,0]=4 907 B12R1.2104 O=C(O)C[C@@H](CO)NC[C@@H]1CO1 269956a_100009816507_100000745022 [0,0,0,1,0,1|2,0,0]=4 908 B12R1.2570 CC1(SCN([C@H]1C(=O)O)CF)C 269956a_200015976870_100015361967 [0,0,0,1,0,1|2,0,0]=4 909 B12R1.2570 CCN1CSC([C@@H]1C(=O)O)(C)C 269956a_200015976870_100000210202 [0,0,0,1,0,1|2,0,0]=4 910 B12R1.3108 CC(C)CC1(CC1)NCC(=O)N 2230a_100000732712_100000747473 [0,0,0,1,0,1|2,0,0]=4 911 B12R1.3108 CC(C)NCC1(CC1)CC(=O)O 269956a_100020588786_100000210206 [0,0,0,1,0,1|1,0,0]=3 912 B12R1.3579 CC(C)C(CC(=O)O)NC1CC1 269956a_100000695669_100000211595 [0,1,0,1,0,0|2,0,0]=4 913 B12R1.392 CC(C)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210760 [0,1,0,1,0,0|2,0,0]=4 914 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210760 [0,1,0,1,0,0|2,0,0]=4 915 B12R1.392 CC(C)CN1CCSC1C(=O)O 269956a_100000035718_100000210760 [0,1,0,1,0,0|2,0,0]=4 916 B12R1.392 CC(C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210760 [0,1,0,1,0,0|2,0,0]=4 917 B12R1.1531 C#CCN(CC(=O)O)CC1CC1 269956a_100011236498_100000742324 [0,1,0,1,0,0|2,0,0]=4 918 B12R1.1531 C=CCN(CC(=O)O)CC1CC1 269956a_100000744315_100000742324 [0,1,0,1,0,0|2,0,0]=4 919 B12R1.1531 O=C(O)CN(CCO)CC1CC1 269956a_100000747938_100000742324 [0,1,0,1,0,0|2,0,0]=4 920 B12R1.50 CC1CCCC(C1)CC(=O)CF 1458a_100000748788_100015361967 [0,1,0,1,0,0|2,0,0]=4 921 B12R1.50 CC1CCCC(C1)NC(=O)CO 240690a_100011194320_100000210174 [0,1,0,1,0,0|2,0,0]=4 922 B12R1.50 CC1CCCC(C1)NC(=O)CO 527a_100011194320_100000210174 [0,1,0,1,0,0|2,0,0]=4 923 B12R1.50 CCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210202 [0,1,0,1,0,0|2,0,0]=4 924 B12R1.50 CCC(C)CN1CCOC(=O)C1 2230a_100000131268_100000748023 [0,1,0,1,0,0|2,0,0]=4 925 B12R1.50 CCC(C)CN1CCOC(=O)C1 270004a_100000131268_100000243153 [0,1,0,1,0,0|2,0,0]=4 926 B12R1.50 CC[C@H](C)CN1CCOC(=O)C1 2230a_100000131268_100009816398 [0,1,0,1,0,0|2,0,0]=4 927 B12R1.50 CN1CCCC(C1)CC(=O)CO 1458a_100000210174_100015183302 [0,1,0,1,0,0|2,0,0]=4 928 B12R1.50 CNC(=O)CC1CCCC(C1)C 11a_106832991635_100000748788 [0,1,0,1,0,0|2,0,0]=4 929 B12R1.50 CNC(=O)CC1CCCC(C1)C 1626a_100102657272_100000748788 [0,1,0,1,0,0|2,0,0]=4 930 B12R1.50 CNC(=O)CC1CCCC(C1)C 240690a_100102657272_100000748788 [0,1,0,1,0,0|2,0,0]=4 931 B12R1.50 CNC(=O)CC1CCCC(C1)C 527a_100102657272_100000748788 [0,1,0,1,0,0|2,0,0]=4 932 B12R1.50 COC(=O)CC1CCCN(C1)C 2230a_100016989293_200000210301 [0,1,0,1,0,0|2,0,0]=4 933 B12R1.50 COC(=O)CC1CCCN(C1)C 269982a_100016989293_200000210301 [0,1,0,1,0,0|2,0,0]=4 934 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 2230a_100016989293_200025704644 [0,1,0,1,0,0|2,0,0]=4 935 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 269982a_100016989293_200025704644 [0,1,0,1,0,0|2,0,0]=4 936 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000747449 [0,1,0,1,0,0|2,0,0]=4 937 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747449 [0,1,0,1,0,0|2,0,0]=4 938 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000747449 [0,1,0,1,0,0|2,0,0]=4 939 B12R1.50 C[C@@H](CO)CN1CCOC(=O)C1 2230a_100000131268_100000059175 [0,1,0,1,0,0|2,0,0]=4 940 B12R1.438 CCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210202 [0,1,0,1,0,0|2,0,0]=4 941 B12R1.438 O=C(O)CC1CCCN(C1)CF 269956a_100015207179_100015361967 [0,1,0,1,0,0|2,0,0]=4 942 B12R1.1404 CCN(CC(=O)O)CC1(CO1)C 269956a_100000746405_100000760498 [0,1,0,1,0,0|2,0,0]=4 943 B12R1.1668 CCC(C)CN1CCC1C(=O)O 269956a_100000021838_100000748023 [0,1,0,1,0,0|2,0,0]=4 944 B12R1.1668 CC[C@H](C)CN1CCC1C(=O)O 269956a_100000021838_100009816398 [0,1,0,1,0,0|2,0,0]=4 945 B12R1.1668 C[C@@H](CO)CN1CCC1C(=O)O 269956a_100000021838_100000059175 [0,1,0,1,0,0|2,0,0]=4 946 B12R1.1673 CC1(OCC(O1)CC(=O)CO)C 1458a_100000210174_100000198056 [0,1,0,1,0,0|2,0,0]=4 947 B12R1.1673 CC1(OC[C@@H](O1)CC(=O)CO)C 1458a_100000210174_100015422573 [0,1,0,1,0,0|2,0,0]=4 948 B12R1.1673 COC(=O)CN1CCC(C1)(C)C 2230a_100000764714_100000747449 [0,1,0,1,0,0|2,0,0]=4 949 B12R1.1673 COC(=O)CN1CCC(C1)(C)C 269982a_100000764714_100000747449 [0,1,0,1,0,0|2,0,0]=4 950 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)C 2230a_102516456887_100000210760 [0,1,0,1,0,0|2,0,0]=4 951 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)C 269982a_102516456887_100000210624 [0,1,0,1,0,0|2,0,0]=4 952 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)C 270004a_102516456887_100000210432 [0,1,0,1,0,0|2,0,0]=4 953 B12R1.2099 CCN(CC(=O)O)CC1CCC1 269956a_100000746405_100000763275 [0,1,0,1,0,0|2,0,0]=4 954 B12R1.2099 CCN(CC(=O)O)CC1CCO1 269956a_100000746405_100000103362 [0,1,0,1,0,0|2,0,0]=4 955 B12R1.2099 CCN(CC(=O)O)CC1COC1 269956a_100000746405_100010264016 [0,1,0,1,0,0|2,0,0]=4 956 B12R1.2099 CC[C@H](CC(=O)O)NC1CCC1 269956a_100016995926_100000749161 [0,1,0,1,0,0|2,0,0]=4 957 B12R1.2099 CC[C@H](CC(=O)O)NC1COC1 269956a_100016995926_100009818527 [0,1,0,1,0,0|2,0,0]=4 958 B12R1.2099 O=C(O)C[C@@H](CO)NC1CCC1 269956a_100009816507_100000749161 [0,1,0,1,0,0|2,0,0]=4 959 B12R1.2099 O=C(O)C[C@@H](CO)NC1COC1 269956a_100009816507_100009818527 [0,1,0,1,0,0|2,0,0]=4 960 B12R1.3521 CC(C)CC1(CC1)NC(=O)CO 240690a_100000732712_100000210174 [0,1,0,1,0,0|2,0,0]=4 961 B12R1.3521 CC(C)CC1(CC1)NC(=O)CO 527a_100000732712_100000210174 [0,1,0,1,0,0|2,0,0]=4 962 B12R1.3521 COC(=O)CC1(CC1)CN(C)C 2230a_100102631434_100000727233 [0,1,0,1,0,0|2,0,0]=4 963 B12R1.119 CC(C)(C)CN1CCOC(=O)C1 270004a_100000131268_100011204126 [0,1,0,1,0,0|2,0,0]=4 964 B12R1.1378 CC(C)(C)CN1CCC1C(=O)O 269956a_100000021838_100011219605 [0,1,0,1,0,0|2,0,0]=4 965 B12R1.1378 CC(C)(F)CN1CCC1C(=O)O 269956a_100000021838_100011997219 [0,1,0,1,0,0|2,0,0]=4 966 B12R1.1378 CC(C)(O)CN1CCC1C(=O)O 269956a_100000021838_100000764493 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.1286 O=C1CN(CCO1)CC2CC2 2230a_100000131268_100000742324 [0,0,0,2,0,0|2,0,0]=4 968 B12R2.1661 CC(=O)CC1CC2CCC1C2 1458a_100000211222_200000210301 [0,0,0,2,0,0|2,0,0]=4 969 B12R2.1661 [13CH3]C(=O)CC1CC2CCC1C2 1458a_100000211222_200025704644 [0,0,0,2,0,0|2,0,0]=4 970 B12R2.1359 O=C(O)C1CCN1CC2CC2 269956a_100000021838_100000742324 [0,0,0,2,0,0|2,0,0]=4 971 B8R0.15 CC(C)C(CN)CO[13CH3] 34a_100000692819_200025704644 [1,0,0,0,1,0|2,0,0]=4 972 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,0,0,0,1,0|2,0,0]=4 973 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,0,0,0,1,0|2,0,0]=4 974 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,0,0,0,1,0|2,0,0]=4 975 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,0,0,0,1,0|2,0,0]=4 976 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,0,0,0,1,0|2,0,0]=4 977 B8R0.15 CCN(CC=O)C(C)C 2230a_100000223864_200015260668 [1,0,0,0,1,0|2,0,0]=4 978 B8R0.15 CCN(CC=O)C(C)C 269982a_100000223864_200015260668 [1,0,0,0,1,0|2,0,0]=4 979 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,0,0,0,1,0|2,0,0]=4 980 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,0,0,0,1,0|2,0,0]=4 981 B8R0.15 COCC(CN)C(C)C 34a_100000692819_200000210301 [1,0,0,0,1,0|2,0,0]=4 982 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,0,0,0,1,0|1,0,0]=3 983 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [1,0,0,0,1,0|2,0,0]=4 984 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [1,0,0,0,1,0|2,0,0]=4 985 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [1,0,0,0,1,0|2,0,0]=4 986 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [1,0,0,0,1,0|2,0,0]=4 987 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [1,0,0,0,1,0|2,0,0]=4 988 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [1,0,0,0,1,0|2,0,0]=4 989 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [1,0,0,0,1,0|2,0,0]=4 990 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [1,0,0,0,1,0|2,0,0]=4 991 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [1,0,0,0,1,0|2,0,0]=4 992 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [1,0,0,0,1,0|2,0,0]=4 993 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [1,0,0,0,1,0|2,0,0]=4 994 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [1,0,0,0,1,0|2,0,0]=4 995 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [1,0,0,0,1,0|2,0,0]=4 996 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [1,0,0,0,1,0|2,0,0]=4 997 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [1,0,0,0,1,0|2,0,0]=4 998 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,0,0,0,1,0|2,0,0]=4 999 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,0,0,0,1,0|2,0,0]=4 1000 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [1,0,0,0,1,0|2,0,0]=4 1001 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [1,0,0,0,1,0|2,0,0]=4 1002 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [1,0,0,0,1,0|1,0,0]=3 1003 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [1,0,0,0,1,0|2,0,0]=4 1004 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [1,0,0,0,1,0|1,0,1]=4 1005 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [1,0,0,0,1,0|2,0,0]=4 1006 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [1,0,0,0,1,0|2,0,0]=4 1007 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [1,0,0,0,1,0|1,0,0]=3 1008 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [1,0,0,0,1,0|2,0,0]=4 1009 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [1,0,0,0,1,0|2,0,0]=4 1010 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [1,0,0,0,1,0|2,0,0]=4 1011 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [1,0,0,0,1,0|1,0,1]=4 1012 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [1,0,0,0,1,0|2,0,0]=4 1013 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [1,0,0,0,1,0|2,0,0]=4 1014 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [1,0,0,0,1,0|2,0,0]=4 1015 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [1,0,0,0,1,0|2,0,0]=4 1016 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [1,0,0,0,1,0|2,0,0]=4 1017 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [1,0,0,0,1,0|2,0,0]=4 1018 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,0,0,0,2,0|2,0,0]=4 1019 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,0,0,0,2,0|2,0,0]=4 1020 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,0,0,0,2,0|2,0,0]=4 1021 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,0,0,0,2,0|2,0,0]=4 1022 B10R0.27 C=CC[C@H](CO)NCC(C)C 2230a_100020615467_100000210760 [1,0,0,0,0,1|2,0,0]=4 1023 B10R0.27 C=CC[C@H](CO)NCC(C)C 270004a_100020615467_100000210432 [1,0,0,0,0,1|2,0,0]=4 1024 B10R0.27 CCCC(CC)NCC(=O)N 2230a_100000747048_100000747473 [1,0,0,0,0,1|2,0,0]=4 1025 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [1,0,0,0,0,1|1,0,0]=3 1026 B10R0.27 CCCC(CC)OCC(=O)N 34a_100000687864_100000187820 [1,0,0,0,0,1|2,0,0]=4 1027 B10R0.27 CCCC(CC)OCC(=O)N 7a_100000687864_100000187820 [1,0,0,0,0,1|2,0,0]=4 1028 B10R0.27 CCCC(CC)OCC(=O)[O-] 34a_100000687864_100020667443 [1,0,0,0,0,1|1,0,1]=4 1029 B10R0.27 CCCC(CC)SCC(=O)N 62a_100000747473_100011219200 [1,0,0,0,0,1|2,0,0]=4 1030 B10R0.27 CCCC(CC)SCC(=O)N 62a_100011219200_100000747473 [1,0,0,0,0,1|2,0,0]=4 1031 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100011219200_100020667443 [1,0,0,0,0,1|1,0,1]=4 1032 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100020667443_100011219200 [1,0,0,0,0,1|1,0,1]=4 1033 B10R0.27 CCC[C@@H](CO)NCC(=O)N 2230a_100000732646_100000747473 [1,0,0,0,0,1|2,0,0]=4 1034 B10R0.27 CCC[C@@H](CO)NCC(=O)N 34a_100000732646_100000187820 [1,0,0,0,0,1|2,0,0]=4 1035 B10R0.27 CCC[C@@H](CO)NCC(=O)[O-] 34a_100000732646_100020667443 [1,0,0,0,0,1|1,0,1]=4 1036 B10R0.27 CCN(CC=O)CCC(C)C 2230a_100000207693_200015260668 [1,0,0,0,0,1|2,0,0]=4 1037 B10R0.27 CCN(CC=O)CCC(C)C 269982a_100000207693_200015260668 [1,0,0,0,0,1|2,0,0]=4 1038 B10R0.27 COCC(CN)OCC(=O)N 34a_100000756049_100000187820 [1,0,0,0,0,1|2,0,0]=4 1039 B10R0.27 COCC(CN)OCC(=O)[O-] 34a_100000756049_100020667443 [1,0,0,0,0,1|1,0,1]=4 1040 B10R0.27 COCC(CN)OCC(C)C 34a_100000756049_100000210624 [1,0,0,0,0,1|2,0,0]=4 1041 B10R0.96 C=C(C)CNC(C)CC(C)C 2230a_100000692259_100000748629 [1,0,0,0,0,1|2,0,0]=4 1042 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000210245_100000731052 [1,0,0,0,0,1|2,0,0]=4 1043 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000211805_100000748629 [1,0,0,0,0,1|2,0,0]=4 1044 B10R0.96 C=C(C)COC(C)CC(C)C 7a_100000211805_100000748629 [1,0,0,0,0,1|2,0,0]=4 1045 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000731052_100000211660 [1,0,0,0,0,1|2,0,0]=4 1046 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000748629_100000731052 [1,0,0,0,0,1|2,0,0]=4 1047 B10R0.96 C=C(F)CNC(C)CC(C)C 2230a_100000692259_100009893438 [1,0,0,0,0,1|2,0,0]=4 1048 B10R0.96 C=C(F)COC(C)CC(C)C 34a_100000211805_100009893438 [1,0,0,0,0,1|2,0,0]=4 1049 B10R0.96 C=C(F)COC(C)CC(C)C 34a_200010262243_100000731052 [1,0,0,0,0,1|2,0,0]=4 1050 B10R0.96 C=C(F)COC(C)CC(C)C 7a_100000211805_100000042424 [1,0,0,0,0,1|2,0,0]=4 1051 B10R0.96 C=C(F)CSC(C)CC(C)C 62a_100000042424_100000731052 [1,0,0,0,0,1|2,0,0]=4 1052 B10R0.96 C=C(F)CSC(C)CC(C)C 62a_100000731052_100000042424 [1,0,0,0,0,1|2,0,0]=4 1053 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [1,0,0,0,0,1|1,0,1]=4 1054 B10R0.96 CC(=O)CCN(C)CC(C)C 269982a_100000747067_100000053229 [1,0,0,0,0,1|2,0,0]=4 1055 B10R0.96 CC(=O)COC(C)CC(C)C 34a_100000211253_100000731052 [1,0,0,0,0,1|1,0,0]=3 1056 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [1,0,0,0,0,1|2,0,0]=4 1057 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [1,0,0,0,0,1|2,0,0]=4 1058 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [1,0,0,0,0,1|2,0,0]=4 1059 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [1,0,0,0,0,1|2,0,0]=4 1060 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [1,0,0,0,0,1|2,0,0]=4 1061 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [1,0,0,0,0,1|2,0,0]=4 1062 B10R0.96 CC(=O)OCN(C)CC(C)C 269982a_100000747067_100000076356 [1,0,0,0,0,1|2,0,0]=4 1063 B10R0.96 CC(=O)SCC(C)CN(C)C 2230a_100102631434_200000116872 [1,0,0,0,0,1|2,0,0]=4 1064 B10R0.96 CC(=O)SCC(C)CN(C)C 269982a_100102631434_200000116872 [1,0,0,0,0,1|2,0,0]=4 1065 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000692259_100000747473 [1,0,0,0,0,1|1,0,0]=3 1066 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000711301_100000731052 [1,0,0,0,0,1|1,0,0]=3 1067 B10R0.96 CC(C)CC(C)NCC(=O)O 269956a_100016091260_100000731052 [1,0,0,0,0,1|0,0,0]=2 1068 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000210904_100000731052 [1,0,0,0,0,1|1,0,1]=4 1069 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000692259_100011218427 [1,0,0,0,0,1|1,0,1]=4 1070 B10R0.96 CC(C)CC(C)NCC(C)O 34a_100000210904_100000731052 [1,0,0,0,0,1|1,0,1]=4 1071 B10R0.96 CC(C)CC(C)NC[C@@H](C)O 2230a_100000692259_100009817552 [1,0,0,0,0,1|1,0,1]=4 1072 B10R0.96 CC(C)CC(C)OCC(=O)N 34a_100000211805_100000187820 [1,0,0,0,0,1|1,0,0]=3 1073 B10R0.96 CC(C)CC(C)OCC(=O)N 7a_100000211805_100000187820 [1,0,0,0,0,1|1,0,0]=3 1074 B10R0.96 CC(C)CC(C)OCC(=O)[O-] 34a_100000211805_100020667443 [1,0,0,0,0,1|0,0,1]=3 1075 B10R0.96 CC(C)CC(C)OCC(C)O 34a_100000211805_100011218427 [1,0,0,0,0,1|1,0,1]=4 1076 B10R0.96 CC(C)CC(C)OCC(C)O 7a_100000211805_100011218427 [1,0,0,0,0,1|1,0,1]=4 1077 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 34a_100000211805_100009817552 [1,0,0,0,0,1|1,0,1]=4 1078 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 7a_100000211805_100009817552 [1,0,0,0,0,1|1,0,1]=4 1079 B10R0.96 CC(C)CC(C)OC[N+](=O)[O-] 34a_100000211805_100000761209 [1,0,0,0,0,1|1,0,1]=4 1080 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000731052_100000747473 [1,0,0,0,0,1|1,0,0]=3 1081 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000747473_100000731052 [1,0,0,0,0,1|1,0,0]=3 1082 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100000731052_100020667443 [1,0,0,0,0,1|0,0,1]=3 1083 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100020667443_100000731052 [1,0,0,0,0,1|0,0,1]=3 1084 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100000731052_100011218427 [1,0,0,0,0,1|1,0,1]=4 1085 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100011218427_100000731052 [1,0,0,0,0,1|1,0,1]=4 1086 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100000731052_100009817552 [1,0,0,0,0,1|1,0,1]=4 1087 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100009817552_100000731052 [1,0,0,0,0,1|1,0,1]=4 1088 B10R0.96 CC(C)CC(C)SC[N+](=O)[O-] 62a_100000731052_100000761209 [1,0,0,0,0,1|1,0,1]=4 1089 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [1,0,0,0,0,1|2,0,0]=4 1090 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [1,0,0,0,0,1|2,0,0]=4 1091 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [1,0,0,0,0,1|2,0,0]=4 1092 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [1,0,0,0,0,1|1,0,0]=3 1093 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [1,0,0,0,0,1|1,0,1]=4 1094 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000730477_100000210760 [1,0,0,0,0,1|2,0,0]=4 1095 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000747067_100000744528 [1,0,0,0,0,1|2,0,0]=4 1096 B10R0.96 CC(C)CN(C)CCC(=O)N 269982a_100000747067_100000744528 [1,0,0,0,0,1|2,0,0]=4 1097 B10R0.96 CC(C)CN(C)CCC(=O)N 270004a_100000730477_100000210432 [1,0,0,0,0,1|2,0,0]=4 1098 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [1,0,0,0,0,1|1,0,0]=3 1099 B10R0.96 CC(C)OCN(C)CC(=O)N 2230a_100000739694_100000709892 [1,0,0,0,0,1|2,0,0]=4 1100 B10R0.96 CC(C)OCN(C)CC(=O)O 269956a_100000746989_100000709892 [1,0,0,0,0,1|1,0,0]=3 1101 B10R0.96 CC(CN(C)C)NCC(=O)O 269956a_100016091260_100020606517 [1,0,0,0,0,1|1,0,0]=3 1102 B10R0.96 CC(CN(C)C)SCC(=O)N 62a_100000747473_100020606517 [1,0,0,0,0,1|2,0,0]=4 1103 B10R0.96 CC(CN(C)C)SCC(=O)N 62a_100020606517_100000747473 [1,0,0,0,0,1|2,0,0]=4 1104 B10R0.96 CC(CN(C)C)SCC(=O)[O-] 62a_100020606517_100020667443 [1,0,0,0,0,1|1,0,1]=4 1105 B10R0.96 CC(CN(C)C)SCC(=O)[O-] 62a_100020667443_100020606517 [1,0,0,0,0,1|1,0,1]=4 1106 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [1,0,0,0,0,1|2,0,0]=4 1107 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [1,0,0,0,0,1|2,0,0]=4 1108 B10R0.84 C=C(C)COC(CN)C(C)C 34a_100000759067_100000748629 [0,0,0,0,1,1|2,0,0]=4 1109 B10R0.84 C=C(F)COC(CN)C(C)C 34a_100000759067_100009893438 [0,0,0,0,1,1|2,0,0]=4 1110 B10R0.84 C=C[C@H](NCC(C)C)C(=O)O 269956a_100016992060_100000210760 [0,0,0,0,1,1|1,0,1]=4 1111 B10R0.84 CC(=O)NCC(CO)C(C)C 240690a_100000692819_100015343762 [0,0,0,0,1,1|2,0,0]=4 1112 B10R0.84 CC(=O)NCC(CO)C(C)C 527a_100000692819_100103153847 [0,0,0,0,1,1|2,0,0]=4 1113 B10R0.84 CC(C)C(CN)OCC(=O)N 34a_100000759067_100000187820 [0,0,0,0,1,1|1,0,0]=3 1114 B10R0.84 CC(C)C(CN)OCC(=O)[O-] 34a_100000759067_100020667443 [0,0,0,0,1,1|0,0,1]=3 1115 B10R0.84 CC(C)C(CN)OC[C@@H](C)O 34a_100000759067_100009817552 [0,0,0,0,1,1|1,0,1]=4 1116 B10R0.84 CC(C)C(CN)OC[N+](=O)[O-] 34a_100000759067_100000761209 [0,0,0,0,1,1|1,0,1]=4 1117 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,0,0,0,1,1|1,0,0]=3 1118 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000210760 [0,0,0,0,1,1|2,0,0]=4 1119 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_100000210432 [0,0,0,0,1,1|2,0,0]=4 1120 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000210624 [0,0,0,0,1,1|2,0,0]=4 1121 B10R0.84 CC(C)[C@H](CO)NCC(=O)N 2230a_100011830312_100000747473 [0,0,0,0,1,1|2,0,0]=4 1122 B10R0.84 CC(C)[C@H](CO)NCC(=O)N 34a_100011830312_100000187820 [0,0,0,0,1,1|2,0,0]=4 1123 B10R0.84 CC(C)[C@H](CO)NCC(=O)[O-] 34a_100011830312_100020667443 [0,0,0,0,1,1|1,0,1]=4 1124 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,0,0,0,1,1|2,0,0]=4 1125 B10R0.84 CC(O)COC(CN)C(C)C 34a_100000759067_100011218427 [0,0,0,0,1,1|1,0,1]=4 1126 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000210953_100000750255 [0,0,0,0,1,1|2,0,0]=4 1127 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000733705_100000210760 [0,0,0,0,1,1|2,0,0]=4 1128 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000210953_100000750255 [0,0,0,0,1,1|2,0,0]=4 1129 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000733705_100000210624 [0,0,0,0,1,1|2,0,0]=4 1130 B10R0.84 CCC(OCC(=O)N)C(C)C 34a_100011218073_100000187820 [0,0,0,0,1,1|2,0,0]=4 1131 B10R0.84 CCC(OCC(=O)N)C(C)C 7a_100011218073_100000187820 [0,0,0,0,1,1|2,0,0]=4 1132 B10R0.84 CCC(OCC(=O)[O-])C(C)C 34a_100011218073_100020667443 [0,0,0,0,1,1|1,0,1]=4 1133 B10R0.84 CCC(OCC(C)C)C(=O)N 34a_100000210257_100000750255 [0,0,0,0,1,1|2,0,0]=4 1134 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000210624_100000750255 [0,0,0,0,1,1|2,0,0]=4 1135 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000750255_100000210760 [0,0,0,0,1,1|2,0,0]=4 1136 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,0,0,0,1,1|1,0,0]=3 1137 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,0,0,0,1,1|2,0,0]=4 1138 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,0,0,0,1,1|2,0,0]=4 1139 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,0,0,0,1,1|2,0,0]=4 1140 B12R0.535 C=C(C)COCC(CN)CC(C)C 34a_200000723437_100000748629 [0,0,0,0,0,2|2,0,0]=4 1141 B12R0.535 C=C(F)COCC(CN)CC(C)C 34a_200000723437_100009893438 [0,0,0,0,0,2|2,0,0]=4 1142 B12R0.535 CC(=CCN[C@H](CO)CC(=O)O)C 269956a_100009816507_100000761012 [0,0,0,0,0,2|1,0,1]=4 1143 B12R0.535 CC(=O)OCN[C@H](CO)CC(C)C 34a_100011830311_100009813279 [0,0,0,0,0,2|2,0,0]=4 1144 B12R0.535 CC(C)CC(CN)COCC(=O)N 34a_200000723437_100000187820 [0,0,0,0,0,2|1,0,0]=3 1145 B12R0.535 CC(C)CC(CN)COCC(=O)[O-] 34a_200000723437_100020667443 [0,0,0,0,0,2|0,0,1]=3 1146 B12R0.535 CC(C)CC(CN)COCC(C)O 34a_200000723437_100011218427 [0,0,0,0,0,2|1,0,1]=4 1147 B12R0.535 CC(C)CC(CN)COC[C@@H](C)O 34a_200000723437_100009817552 [0,0,0,0,0,2|1,0,1]=4 1148 B12R0.535 CC(C)CC(CN)COC[N+](=O)[O-] 34a_200000723437_100000761209 [0,0,0,0,0,2|1,0,1]=4 1149 B12R0.535 CC(C)CC(CO)CNCC(=O)N 34a_200000723437_100000187820 [0,0,0,0,0,2|2,0,0]=4 1150 B12R0.535 CC(C)CC(CO)CNCC(=O)[O-] 34a_200000723437_100020667443 [0,0,0,0,0,2|1,0,1]=4 1151 B12R0.535 CC(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210312 [0,0,0,0,0,2|1,0,0]=3 1152 B12R0.535 CC(C)C[C@@H](CO)NCCC(=O)N 2230a_100011830311_100000744528 [0,0,0,0,0,2|2,0,0]=4 1153 B12R0.535 CC(C)C[C@@H](CO)NCCC(=O)N 34a_100011830311_100000731001 [0,0,0,0,0,2|2,0,0]=4 1154 B12R0.535 CC(C)OCN[C@H](CO)CC(=O)O 269956a_100009816507_100000709892 [0,0,0,0,0,2|1,0,0]=3 1155 B12R0.535 CC(O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100012276601 [0,0,0,0,0,2|2,0,0]=4 1156 B12R0.535 CCC(COCC(=O)N)CC(C)C 34a_100012186708_100000187820 [0,0,0,0,0,2|2,0,0]=4 1157 B12R0.535 CCC(COCC(=O)N)CC(C)C 7a_100012186708_100000187820 [0,0,0,0,0,2|2,0,0]=4 1158 B12R0.535 CCC(COCC(=O)[O-])CC(C)C 34a_100012186708_100020667443 [0,0,0,0,0,2|1,0,1]=4 1159 B12R0.535 CCN(CCCC(C)C)CC(=O)O 269956a_100000746405_100011214892 [0,0,0,0,0,2|2,0,0]=4 1160 B12R0.535 CCN(CCOC(C)C)CC(=O)O 269956a_100000746405_100000211751 [0,0,0,0,0,2|2,0,0]=4 1161 B12R0.535 CCN(CCSC(C)C)CC(=O)O 269956a_100000746405_100000730970 [0,0,0,0,0,2|2,0,0]=4 1162 B12R0.535 CC[C@H](CC(=O)O)NCC=C(C)C 269956a_100016995926_100000761012 [0,0,0,0,0,2|1,0,1]=4 1163 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)C 269956a_100016995926_100000210312 [0,0,0,0,0,2|1,0,0]=3 1164 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)O 269956a_100016995926_100012276601 [0,0,0,0,0,2|2,0,0]=4 1165 B12R0.535 CC[C@H](CC(=O)O)NCCN(C)C 269956a_100016995926_100000755713 [0,0,0,0,0,2|2,0,0]=4 1166 B12R0.535 CC[C@H](CC(=O)O)NCOC(C)C 269956a_100016995926_100000709892 [0,0,0,0,0,2|1,0,0]=3 1167 B12R0.535 CN(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000755713 [0,0,0,0,0,2|2,0,0]=4 1168 B12R0.540 CC(=O)OCC(CCl)OCC(C)C 7a_200000139349_100000210760 [0,0,0,0,0,2|2,0,0]=4 1169 B12R0.540 CCC(CCC(C)C)OCC(=O)N 34a_100011216567_100000187820 [0,0,0,0,0,2|2,0,0]=4 1170 B12R0.540 CCC(CCC(C)C)OCC(=O)N 7a_100011216567_100000187820 [0,0,0,0,0,2|2,0,0]=4 1171 B12R0.540 CCC(CCC(C)C)OCC(=O)[O-] 34a_100011216567_100020667443 [0,0,0,0,0,2|1,0,1]=4