0 B10R0.79 C#CCN(CC#C)CC(=O)O 269956a_100011236498_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.79 C#CCN(CC#N)CC(=O)O 269956a_100011236498_100011215382 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.79 C#CCN(CC=C)CC(=O)O 269956a_100000744315_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.79 C#CCN(CC=C)CC(=O)O 269956a_100011236498_100000210623 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.79 C#CCN(CC=O)CC(=O)O 269956a_100011236498_200015260668 [0,0,0,0,0,0|1,0,3]=4 5 B10R0.79 C#CCN(CCC)CC(=O)O 269956a_100011236498_100000210207 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.79 C#CCN(CCF)CC(=O)O 269956a_100011236498_100011217306 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.79 C#CCN(CCO)CC(=O)O 269956a_100000747938_100000184674 [0,0,0,0,0,0|1,0,1]=2 8 B10R0.79 C#CCN(CCO)CC(=O)O 269956a_100011236498_100000211926 [0,0,0,0,0,0|1,0,1]=2 9 B10R0.79 C#CCN(CCO)CC(C)O 2230a_100000731851_100000038162 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.79 C#CCN(COC)CC(=O)O 269956a_100011236498_100000766300 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.79 C#CCN(CSC)CC(=O)O 269956a_100011236498_100011218213 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.79 C=C(C)CN(CCC)CCC 2230a_100000210455_100000748629 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.79 C=C(C)CN(CCC)CCC 269982a_100000210455_100000748629 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.79 C=C(C)CN(CCC)CCO 2230a_100000211420_100000748629 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.79 C=C(C)CN(CCC)CCO 269982a_100000211420_100000748629 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.79 C=C(C)CN(CCO)CCO 2230a_100000210587_100000748629 [0,0,0,0,0,0|2,0,0]=2 17 B10R0.79 C=C(C)CN(CCO)CCO 269982a_100000210587_100000748629 [0,0,0,0,0,0|2,0,0]=2 18 B10R0.79 C=C(F)CN(CCC)CCC 2230a_100000210455_100009893438 [0,0,0,0,0,0|4,0,0]=4 19 B10R0.79 C=C(F)CN(CCC)CCC 269982a_100000210455_100009893438 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.79 C=C(F)CN(CCC)CCO 2230a_100000211420_100009893438 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.79 C=C(F)CN(CCC)CCO 269982a_100000211420_100009893438 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.79 C=C(F)CN(CCO)CCO 2230a_100000210587_100009893438 [0,0,0,0,0,0|2,0,0]=2 23 B10R0.79 C=C(F)CN(CCO)CCO 269982a_100000210587_100009893438 [0,0,0,0,0,0|2,0,0]=2 24 B10R0.79 C=CCN(CC#N)CC(=O)O 269956a_100000744315_100011215382 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.79 C=CCN(CC=C)CC(=O)O 269956a_100000744315_100000210623 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.79 C=CCN(CC=O)CC(=O)O 269956a_100000744315_200015260668 [0,0,0,0,0,0|1,0,3]=4 27 B10R0.79 C=CCN(CCC)CC(=O)O 269956a_100000744315_100000210207 [0,0,0,0,0,0|2,0,1]=3 28 B10R0.79 C=CCN(CCF)CC(=O)O 269956a_100000744315_100011217306 [0,0,0,0,0,0|2,0,1]=3 29 B10R0.79 C=CCN(CCO)CC(=C)Br 2230a_100011364060_100000211926 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.79 C=CCN(CCO)CC(=O)O 269956a_100000744315_100000211926 [0,0,0,0,0,0|1,0,1]=2 31 B10R0.79 C=CCN(CCO)CC(=O)O 269956a_100000747938_100000210623 [0,0,0,0,0,0|1,0,1]=2 32 B10R0.79 C=CCN(CCO)CC(C)O 2230a_100000731851_100000210623 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.79 C=CCN(CCO)CC(C)O 269982a_100000731851_100000210623 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.79 C=CCN(COC)CC(=O)O 269956a_100000744315_100000766300 [0,0,0,0,0,0|3,0,1]=4 35 B10R0.79 C=CCN(CSC)CC(=O)O 269956a_100000744315_100011218213 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.79 CC(C)CN(CCO)CCF 2230a_100015185251_100011217306 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.79 CC(C)CN(CCO)CCF 269982a_100015185251_100011217306 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.79 CC(C)CN(CCO)CCO 2230a_100000210587_100000210760 [0,0,0,0,0,0|2,0,1]=3 39 B10R0.79 CC(C)CN(CCO)CCO 2230a_100015185251_100000211926 [0,0,0,0,0,0|2,0,1]=3 40 B10R0.79 CC(C)CN(CCO)CCO 269982a_100000210587_100000210624 [0,0,0,0,0,0|2,0,1]=3 41 B10R0.79 CC(C)CN(CCO)CCO 269982a_100015185251_100000211926 [0,0,0,0,0,0|2,0,1]=3 42 B10R0.79 CC(C)CN(CCO)CCO 270004a_100000210587_100000210432 [0,0,0,0,0,0|2,0,1]=3 43 B10R0.79 CC(O)CN(CC#N)CCO 2230a_100000731851_100011215382 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.79 CC(O)CN(CC#N)CCO 269982a_100000731851_100011214920 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.79 CC(O)CN(CC=O)CCO 2230a_100000731851_200015260668 [0,0,0,0,0,0|1,0,3]=4 46 B10R0.79 CC(O)CN(CC=O)CCO 269982a_100000731851_200015260668 [0,0,0,0,0,0|1,0,3]=4 47 B10R0.79 CC(O)CN(CCO)CCF 2230a_100000731851_100011217306 [0,0,0,0,0,0|2,0,1]=3 48 B10R0.79 CC(O)CN(CCO)CCF 269982a_100000731851_100011217306 [0,0,0,0,0,0|2,0,1]=3 49 B10R0.79 CC(O)CN(CCO)CCO 2230a_100000210587_100011218427 [0,0,0,0,0,0|1,0,1]=2 50 B10R0.79 CC(O)CN(CCO)CCO 2230a_100000731851_100000211926 [0,0,0,0,0,0|1,0,1]=2 51 B10R0.79 CC(O)CN(CCO)CCO 269982a_100000210587_100011218427 [0,0,0,0,0,0|1,0,1]=2 52 B10R0.79 CC(O)CN(CCO)CCO 269982a_100000731851_100000211926 [0,0,0,0,0,0|1,0,1]=2 53 B10R0.79 CCCN(CCC)CC(=O)C 1458a_200011243382_200000210301 [0,0,0,0,0,0|3,0,0]=3 54 B10R0.79 CCCN(CCC)CC(=O)N 2230a_100000210455_100000747473 [0,0,0,0,0,0|3,0,0]=3 55 B10R0.79 CCCN(CCC)CC(=O)N 269982a_100000210455_100000187820 [0,0,0,0,0,0|3,0,0]=3 56 B10R0.79 CCCN(CCC)CC(=O)[13CH3] 1458a_200011243382_200025704644 [0,0,0,0,0,0|3,0,0]=3 57 B10R0.79 CCCN(CCC)CC(=O)[O-] 269982a_100000210455_100020667443 [0,0,0,0,0,0|2,0,1]=3 58 B10R0.79 CCCN(CCC)CC(C)O 2230a_100000210455_100011218427 [0,0,0,0,0,0|3,0,1]=4 59 B10R0.79 CCCN(CCC)CC(C)O 269982a_100000210455_100011218427 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.79 CCCN(CCC)C[C@@H](C)O 2230a_100000210455_100009817552 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.79 CCCN(CCC)C[C@@H](C)O 269982a_100000210455_100009817552 [0,0,0,0,0,0|3,0,1]=4 62 B10R0.79 CCCN(CCC)C[N+](=O)[O-] 269982a_100000210455_100000761209 [0,0,0,0,0,0|3,0,1]=4 63 B10R0.79 CCCN(CCO)CC(=O)N 2230a_100000211420_100000747473 [0,0,0,0,0,0|2,0,0]=2 64 B10R0.79 CCCN(CCO)CC(=O)N 269982a_100000211420_100000187820 [0,0,0,0,0,0|2,0,0]=2 65 B10R0.79 CCCN(CCO)CC(=O)O 269956a_100000747938_100000210207 [0,0,0,0,0,0|1,0,0]=1 66 B10R0.79 CCCN(CCO)CC(=O)[O-] 269982a_100000211420_100020667443 [0,0,0,0,0,0|1,0,1]=2 67 B10R0.79 CCCN(CCO)CC(C)C 2230a_100000211420_100000210760 [0,0,0,0,0,0|3,0,1]=4 68 B10R0.79 CCCN(CCO)CC(C)C 2230a_100015185251_100000210303 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.79 CCCN(CCO)CC(C)C 269982a_100000211420_100000210624 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.79 CCCN(CCO)CC(C)C 269982a_100015185251_100000210303 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.79 CCCN(CCO)CC(C)C 270004a_100000211420_100000210432 [0,0,0,0,0,0|3,0,1]=4 72 B10R0.79 CCCN(CCO)CC(C)O 2230a_100000211420_100011218427 [0,0,0,0,0,0|2,0,1]=3 73 B10R0.79 CCCN(CCO)CC(C)O 2230a_100000731851_100000210303 [0,0,0,0,0,0|2,0,1]=3 74 B10R0.79 CCCN(CCO)CC(C)O 269982a_100000211420_100011218427 [0,0,0,0,0,0|2,0,1]=3 75 B10R0.79 CCCN(CCO)CC(C)O 269982a_100000731851_100000210303 [0,0,0,0,0,0|2,0,1]=3 76 B10R0.79 CCCN(CCO)CC(F)F 2230a_100000211420_100011934356 [0,0,0,0,0,0|3,0,1]=4 77 B10R0.79 CCCN(CCO)CC(F)F 269982a_100000211420_100011934356 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.79 CCCN(CCO)C[C@@H](C)O 2230a_100000211420_100009817552 [0,0,0,0,0,0|2,0,1]=3 79 B10R0.79 CCCN(CCO)C[C@@H](C)O 269982a_100000211420_100009817552 [0,0,0,0,0,0|2,0,1]=3 80 B10R0.79 CCCN(CCO)C[N+](=O)[O-] 269982a_100000211420_100000761209 [0,0,0,0,0,0|2,0,1]=3 81 B10R0.79 CCC[C@@H](CCO)NC(=O)C 240690a_100015193777_100015343762 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.79 CCC[C@@H](CCO)NC(=O)C 527a_100015193777_100103153847 [0,0,0,0,0,0|4,0,0]=4 83 B10R0.79 COCN(CCO)CC(=O)O 269956a_100000747938_100000766300 [0,0,0,0,0,0|2,0,0]=2 84 B10R0.79 COCN(CCO)CC(C)O 2230a_100000731851_100000766300 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.79 COCN(CCO)CC(C)O 269982a_100000731851_100000766300 [0,0,0,0,0,0|3,0,1]=4 86 B10R0.79 CSCN(CCO)CC(=O)O 269956a_100000747938_100011218213 [0,0,0,0,0,0|2,0,0]=2 87 B10R0.79 CSCN(CCO)CC(C)O 2230a_100000731851_100011218213 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.79 CSCN(CCO)CC(C)O 269982a_100000731851_100011218213 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.79 C[C@@H](O)CN(CCO)CCO 2230a_100000210587_100009817552 [0,0,0,0,0,0|1,0,1]=2 90 B10R0.79 C[C@@H](O)CN(CCO)CCO 269982a_100000210587_100009817552 [0,0,0,0,0,0|1,0,1]=2 91 B10R0.79 N#CCN(CCO)CC(=O)O 269956a_100000747938_100011215382 [0,0,0,0,0,0|1,0,1]=2 92 B10R0.79 NC(=O)CN(CCO)CCO 2230a_100000210587_100000747473 [0,0,0,0,0,0|1,0,0]=1 93 B10R0.79 NC(=O)CN(CCO)CCO 269982a_100000210587_100000187820 [0,0,0,0,0,0|1,0,0]=1 94 B10R0.79 O=C(O)CN(CCO)CCF 269956a_100000747938_100011217306 [0,0,0,0,0,0|1,0,0]=1 95 B10R0.79 O=C(O)CN(CCO)CCO 269956a_100000747938_100000211926 [0,0,0,0,0,0|0,0,0]=0 96 B10R0.79 O=C([O-])CN(CCO)CCO 269982a_100000210587_100020667443 [0,0,0,0,0,0|0,0,1]=1 97 B10R0.79 O=CCN(CCO)CC(=O)O 269956a_100000747938_200015260668 [0,0,0,0,0,0|0,0,2]=2 98 B10R0.79 O=[N+]([O-])CN(CCO)CCO 269982a_100000210587_100000761209 [0,0,0,0,0,0|1,0,1]=2 99 B10R0.79 OCCN(CCO)CC(F)F 2230a_100000210587_100011934356 [0,0,0,0,0,0|2,0,1]=3 100 B10R0.79 OCCN(CCO)CC(F)F 269982a_100000210587_100011934356 [0,0,0,0,0,0|2,0,1]=3 101 B9R0.14 C#CCN(CC)CC(=O)N 2230a_100000744766_100000747473 [1,0,0,0,0,0|2,0,1]=4 102 B9R0.14 C#CCN(CC)CC(=O)N 269982a_100000744766_100000187820 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.14 C#CCN(CC)CC(=O)O 269956a_100000746405_100000184674 [1,0,0,0,0,0|1,0,1]=3 104 B9R0.14 C#CCN(CC)CC(=O)O 269956a_100011236498_100000210202 [1,0,0,0,0,0|1,0,1]=3 105 B9R0.14 C#CCN(CC)CC(=O)[O-] 269982a_100000744766_100020667443 [1,0,0,0,0,0|1,0,2]=4 106 B9R0.14 C#CCN(CF)CC(=O)O 269956a_100011236498_100015361967 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.14 C#CCN(CO)CC(=O)[O-] 269956a_100016989150_100000184674 [1,0,0,0,0,0|1,0,2]=4 108 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000211296_100000210303 [1,0,0,0,0,0|3,0,0]=4 109 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000226822_100000748629 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000211296_100000210303 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000226822_100000748629 [1,0,0,0,0,0|3,0,0]=4 112 B9R0.14 C=C(C)CN(CC)CCF 2230a_100000211296_100011217306 [1,0,0,0,0,0|3,0,0]=4 113 B9R0.14 C=C(C)CN(CC)CCF 269982a_100000211296_100011217306 [1,0,0,0,0,0|3,0,0]=4 114 B9R0.14 C=C(C)CN(CC)CCO 2230a_100000210973_100000748629 [1,0,0,0,0,0|2,0,0]=3 115 B9R0.14 C=C(C)CN(CC)CCO 2230a_100000211296_100000211926 [1,0,0,0,0,0|2,0,0]=3 116 B9R0.14 C=C(C)CN(CC)CCO 269982a_100000210973_100000748629 [1,0,0,0,0,0|2,0,0]=3 117 B9R0.14 C=C(C)CN(CC)CCO 269982a_100000211296_100000211926 [1,0,0,0,0,0|2,0,0]=3 118 B9R0.14 C=C(F)CN(CC)CCC 2230a_100000226822_100009893438 [1,0,0,0,0,0|3,0,0]=4 119 B9R0.14 C=C(F)CN(CC)CCC 269982a_100000226822_100009893438 [1,0,0,0,0,0|3,0,0]=4 120 B9R0.14 C=C(F)CN(CC)CCO 2230a_100000210973_100009893438 [1,0,0,0,0,0|2,0,0]=3 121 B9R0.14 C=C(F)CN(CC)CCO 269982a_100000210973_100009893438 [1,0,0,0,0,0|2,0,0]=3 122 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000744315_100000210202 [1,0,0,0,0,0|1,0,1]=3 123 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000746405_100000210623 [1,0,0,0,0,0|1,0,1]=3 124 B9R0.14 C=CCN(CF)CC(=O)O 269956a_100000744315_100015361967 [1,0,0,0,0,0|2,0,1]=4 125 B9R0.14 C=CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210623 [1,0,0,0,0,0|1,0,2]=4 126 B9R0.14 CC(O)CN(CF)CCO 269982a_100000731851_100015361967 [1,0,0,0,0,0|2,0,1]=4 127 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [1,0,0,0,0,0|2,0,0]=3 128 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [1,0,0,0,0,0|2,0,0]=3 129 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [1,0,0,0,0,0|1,0,0]=2 130 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [1,0,0,0,0,0|1,0,1]=3 131 B9R0.14 CCCN(CC)CC(C)O 2230a_100000226822_100011218427 [1,0,0,0,0,0|2,0,1]=4 132 B9R0.14 CCCN(CC)CC(C)O 269982a_100000226822_100011218427 [1,0,0,0,0,0|2,0,1]=4 133 B9R0.14 CCCN(CC)C[C@@H](C)O 2230a_100000226822_100009817552 [1,0,0,0,0,0|2,0,1]=4 134 B9R0.14 CCCN(CC)C[C@@H](C)O 269982a_100000226822_100009817552 [1,0,0,0,0,0|2,0,1]=4 135 B9R0.14 CCCN(CC)C[C@H](C)O 2230a_100000729506_100000210303 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.14 CCCN(CC)C[C@H](C)O 269982a_100000729506_100000210303 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.14 CCCN(CC)C[N+](=O)[O-] 269982a_100000226822_100000761209 [1,0,0,0,0,0|2,0,1]=4 138 B9R0.14 CCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210207 [1,0,0,0,0,0|1,0,1]=3 139 B9R0.14 CCN(CC#N)CC(=O)O 269956a_100000746405_100011215382 [1,0,0,0,0,0|1,0,1]=3 140 B9R0.14 CCN(CC=O)CC(=O)O 269956a_100000746405_200015260668 [1,0,0,0,0,0|0,0,2]=3 141 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [1,0,0,0,0,0|1,0,0]=2 142 B9R0.14 CCN(CCF)C[C@H](C)O 2230a_100000729506_100011217306 [1,0,0,0,0,0|2,0,1]=4 143 B9R0.14 CCN(CCF)C[C@H](C)O 269982a_100000729506_100011217306 [1,0,0,0,0,0|2,0,1]=4 144 B9R0.14 CCN(CCO)CC(=O)N 2230a_100000210973_100000747473 [1,0,0,0,0,0|1,0,0]=2 145 B9R0.14 CCN(CCO)CC(=O)N 269982a_100000210973_100000187820 [1,0,0,0,0,0|1,0,0]=2 146 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [1,0,0,0,0,0|0,0,0]=1 147 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [1,0,0,0,0,0|0,0,0]=1 148 B9R0.14 CCN(CCO)CC(=O)[O-] 269982a_100000210973_100020667443 [1,0,0,0,0,0|0,0,1]=2 149 B9R0.14 CCN(CCO)CC(C)C 2230a_100000210973_100000210760 [1,0,0,0,0,0|2,0,1]=4 150 B9R0.14 CCN(CCO)CC(C)C 2230a_100000738554_100000211926 [1,0,0,0,0,0|2,0,1]=4 151 B9R0.14 CCN(CCO)CC(C)C 2230a_100015185251_100000210202 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.14 CCN(CCO)CC(C)C 269982a_100000210973_100000210624 [1,0,0,0,0,0|2,0,1]=4 153 B9R0.14 CCN(CCO)CC(C)C 269982a_100000738554_100000211926 [1,0,0,0,0,0|2,0,1]=4 154 B9R0.14 CCN(CCO)CC(C)C 269982a_100015185251_100000204670 [1,0,0,0,0,0|2,0,1]=4 155 B9R0.14 CCN(CCO)CC(C)C 270004a_100000210973_100000210432 [1,0,0,0,0,0|2,0,1]=4 156 B9R0.14 CCN(CCO)CC(C)O 2230a_100000210973_100011218427 [1,0,0,0,0,0|1,0,1]=3 157 B9R0.14 CCN(CCO)CC(C)O 2230a_100000731851_100000210202 [1,0,0,0,0,0|1,0,1]=3 158 B9R0.14 CCN(CCO)CC(C)O 269982a_100000210973_100011218427 [1,0,0,0,0,0|1,0,1]=3 159 B9R0.14 CCN(CCO)CC(C)O 269982a_100000731851_100000204670 [1,0,0,0,0,0|1,0,1]=3 160 B9R0.14 CCN(CCO)CC(F)F 2230a_100000210973_100011934356 [1,0,0,0,0,0|2,0,1]=4 161 B9R0.14 CCN(CCO)CC(F)F 269982a_100000210973_100011934356 [1,0,0,0,0,0|2,0,1]=4 162 B9R0.14 CCN(CCO)C[C@@H](C)O 2230a_100000210973_100009817552 [1,0,0,0,0,0|1,0,1]=3 163 B9R0.14 CCN(CCO)C[C@@H](C)O 269982a_100000210973_100009817552 [1,0,0,0,0,0|1,0,1]=3 164 B9R0.14 CCN(CCO)C[C@H](C)O 2230a_100000729506_100000211926 [1,0,0,0,0,0|1,0,1]=3 165 B9R0.14 CCN(CCO)C[C@H](C)O 269982a_100000729506_100000211926 [1,0,0,0,0,0|1,0,1]=3 166 B9R0.14 CCN(CCO)C[N+](=O)[O-] 269982a_100000210973_100000761209 [1,0,0,0,0,0|1,0,1]=3 167 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [1,0,0,0,0,0|2,0,0]=3 168 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [1,0,0,0,0,0|2,0,0]=3 169 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [1,0,0,0,0,0|3,0,0]=4 170 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [1,0,0,0,0,0|3,0,0]=4 171 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [1,0,0,0,0,0|3,0,0]=4 172 B9R0.14 COCN(CO)CC(=O)[O-] 269956a_100016989150_100000766300 [1,0,0,0,0,0|2,0,1]=4 173 B9R0.14 CSCN(CO)CC(=O)[O-] 269956a_100016989150_100011218213 [1,0,0,0,0,0|2,0,1]=4 174 B9R0.14 N#CCN(CO)CC(=O)[O-] 269956a_100016989150_100011215382 [1,0,0,0,0,0|1,0,2]=4 175 B9R0.14 O=C(O)CN(CF)CCO 269956a_100000747938_100015361967 [1,0,0,0,0,0|1,0,0]=2 176 B9R0.14 O=C(O)C[C@@H](CO)NCF 269956a_100009816507_100015361967 [1,0,0,0,0,0|3,0,0]=4 177 B9R0.14 O=C([O-])CN(CO)CCF 269956a_100016989150_100011217306 [1,0,0,0,0,0|1,0,1]=3 178 B9R0.14 O=C([O-])CN(CO)CCO 269956a_100016989150_100000211926 [1,0,0,0,0,0|0,0,1]=2 179 B9R0.14 O=CCN(CO)CC(=O)[O-] 269956a_100016989150_200015260668 [1,0,0,0,0,0|0,0,3]=4 180 B9R0.17 C#CCN(CC=C)CCO 2230a_100000731024_100000211926 [1,0,0,0,0,0|2,0,1]=4 181 B9R0.17 C#CCN(CC=C)CCO 34a_100000731024_100000211926 [1,0,0,0,0,0|2,0,1]=4 182 B9R0.17 C#CCN(CCC)CCO 2230a_100000211420_100000038162 [1,0,0,0,0,0|2,0,1]=4 183 B9R0.17 C#CCN(CCO)CCO 2230a_100000210587_100000038162 [1,0,0,0,0,0|1,0,1]=3 184 B9R0.17 C=CCN(CC=C)CCO 2230a_100000210471_100000211926 [1,0,0,0,0,0|2,0,1]=4 185 B9R0.17 C=CCN(CC=C)CCO 269982a_100000210471_100000211926 [1,0,0,0,0,0|2,0,1]=4 186 B9R0.17 C=CCN(CCC)CCC 2230a_100000210455_100000210623 [1,0,0,0,0,0|3,0,0]=4 187 B9R0.17 C=CCN(CCC)CCC 269982a_100000210455_100000210623 [1,0,0,0,0,0|3,0,0]=4 188 B9R0.17 C=CCN(CCC)CCO 2230a_100000211420_100000210623 [1,0,0,0,0,0|2,0,0]=3 189 B9R0.17 C=CCN(CCC)CCO 269982a_100000211420_100000210623 [1,0,0,0,0,0|2,0,0]=3 190 B9R0.17 C=CCN(CCO)CCO 2230a_100000210587_100000210623 [1,0,0,0,0,0|1,0,0]=2 191 B9R0.17 C=CCN(CCO)CCO 269982a_100000210587_100000210623 [1,0,0,0,0,0|1,0,0]=2 192 B9R0.17 CCCN(CC#N)CCO 2230a_100000211420_100011215382 [1,0,0,0,0,0|2,0,1]=4 193 B9R0.17 CCCN(CC#N)CCO 269982a_100000211420_100011214920 [1,0,0,0,0,0|2,0,1]=4 194 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [1,0,0,0,0,0|2,0,0]=3 195 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [1,0,0,0,0,0|2,0,0]=3 196 B9R0.17 CCCN(CC=O)CCO 2230a_100000211420_200015260668 [1,0,0,0,0,0|1,0,0]=2 197 B9R0.17 CCCN(CC=O)CCO 269982a_100000211420_200015260668 [1,0,0,0,0,0|1,0,0]=2 198 B9R0.17 CCCN(CCC)CCO 2230a_100000210455_100000211926 [1,0,0,0,0,0|2,0,1]=4 199 B9R0.17 CCCN(CCC)CCO 2230a_100000211420_100000210303 [1,0,0,0,0,0|2,0,1]=4 200 B9R0.17 CCCN(CCC)CCO 269982a_100000210455_100000211926 [1,0,0,0,0,0|2,0,1]=4 201 B9R0.17 CCCN(CCC)CCO 269982a_100000211420_100000210303 [1,0,0,0,0,0|2,0,1]=4 202 B9R0.17 CCCN(CCO)CCF 2230a_100000211420_100011217306 [1,0,0,0,0,0|2,0,1]=4 203 B9R0.17 CCCN(CCO)CCF 269982a_100000211420_100011217306 [1,0,0,0,0,0|2,0,1]=4 204 B9R0.17 CCCN(CCO)CCO 2230a_100000210587_100000210303 [1,0,0,0,0,0|1,0,1]=3 205 B9R0.17 CCCN(CCO)CCO 2230a_100000211420_100000211926 [1,0,0,0,0,0|1,0,1]=3 206 B9R0.17 CCCN(CCO)CCO 269982a_100000210587_100000210303 [1,0,0,0,0,0|1,0,1]=3 207 B9R0.17 CCCN(CCO)CCO 269982a_100000211420_100000211926 [1,0,0,0,0,0|1,0,1]=3 208 B9R0.17 CCCN(CCO)COC 2230a_100000211420_100000766300 [1,0,0,0,0,0|3,0,0]=4 209 B9R0.17 CCCN(CCO)COC 269982a_100000211420_100000766300 [1,0,0,0,0,0|3,0,0]=4 210 B9R0.17 CCCN(CCO)CSC 2230a_100000211420_100011218213 [1,0,0,0,0,0|3,0,0]=4 211 B9R0.17 CCCN(CCO)CSC 269982a_100000211420_100011218213 [1,0,0,0,0,0|3,0,0]=4 212 B9R0.17 COCN(CCO)CCO 2230a_100000210587_100000766300 [1,0,0,0,0,0|2,0,0]=3 213 B9R0.17 COCN(CCO)CCO 269982a_100000210587_100000766300 [1,0,0,0,0,0|2,0,0]=3 214 B9R0.17 CSCN(CCO)CCO 2230a_100000210587_100011218213 [1,0,0,0,0,0|2,0,0]=3 215 B9R0.17 CSCN(CCO)CCO 269982a_100000210587_100011218213 [1,0,0,0,0,0|2,0,0]=3 216 B9R0.17 N#CCN(CCO)CCO 2230a_100000210587_100011215382 [1,0,0,0,0,0|1,0,1]=3 217 B9R0.17 N#CCN(CCO)CCO 269982a_100000210587_100011214920 [1,0,0,0,0,0|1,0,1]=3 218 B9R0.17 O=CCN(CCO)CCO 2230a_100000210587_200015260668 [1,0,0,0,0,0|0,0,0]=1 219 B9R0.17 O=CCN(CCO)CCO 269982a_100000210587_200015260668 [1,0,0,0,0,0|0,0,0]=1 220 B9R0.17 OCCN(CCO)CCF 2230a_100000210587_100011217306 [1,0,0,0,0,0|1,0,1]=3 221 B9R0.17 OCCN(CCO)CCF 269982a_100000210587_100011217306 [1,0,0,0,0,0|1,0,1]=3 222 B9R0.17 OCCN(CCO)CCO 2230a_100000210587_100000211926 [1,0,0,0,0,0|0,0,1]=2 223 B9R0.17 OCCN(CCO)CCO 269982a_100000210587_100000211926 [1,0,0,0,0,0|0,0,1]=2 224 B11R0.35 C#CCN(CC(=O)O)CC(C)C 269956a_100011236498_100000210760 [0,1,0,0,0,0|2,0,1]=4 225 B11R0.35 C#CCN(CC(=O)O)CC(C)O 269956a_100011236498_100011218427 [0,1,0,0,0,0|1,0,1]=3 226 B11R0.35 C#CCN(CC(=O)O)CC(F)F 269956a_100011236498_100011934356 [0,1,0,0,0,0|2,0,1]=4 227 B11R0.35 C#CCN(CC(=O)O)C[C@@H](C)O 269956a_100011236498_100009817552 [0,1,0,0,0,0|1,0,1]=3 228 B11R0.35 C=C(C)CN(CCO)CC(=O)O 269956a_100000747938_100000748629 [0,1,0,0,0,0|1,0,1]=3 229 B11R0.35 C=C(C)CN(CCO)CC(C)C 2230a_100015185251_100000748629 [0,1,0,0,0,0|3,0,0]=4 230 B11R0.35 C=C(C)CN(CCO)CC(C)C 269982a_100015185251_100000748629 [0,1,0,0,0,0|3,0,0]=4 231 B11R0.35 C=C(C)CN(CCO)CC(C)O 2230a_100000731851_100000748629 [0,1,0,0,0,0|2,0,0]=3 232 B11R0.35 C=C(C)CN(CCO)CC(C)O 269982a_100000731851_100000748629 [0,1,0,0,0,0|2,0,0]=3 233 B11R0.35 C=C(F)CN(CCO)CC(=O)O 269956a_100000747938_100000042424 [0,1,0,0,0,0|1,0,1]=3 234 B11R0.35 C=C(F)CN(CCO)CC(C)C 2230a_100015185251_100009893438 [0,1,0,0,0,0|3,0,0]=4 235 B11R0.35 C=C(F)CN(CCO)CC(C)C 269982a_100015185251_100009893438 [0,1,0,0,0,0|3,0,0]=4 236 B11R0.35 C=C(F)CN(CCO)CC(C)O 2230a_100000731851_100009893438 [0,1,0,0,0,0|2,0,0]=3 237 B11R0.35 C=C(F)CN(CCO)CC(C)O 269982a_100000731851_100009893438 [0,1,0,0,0,0|2,0,0]=3 238 B11R0.35 C=CCN(CC(=O)O)CC(C)C 269956a_100000744315_100000210760 [0,1,0,0,0,0|2,0,1]=4 239 B11R0.35 C=CCN(CC(=O)O)CC(C)O 269956a_100000744315_100011218427 [0,1,0,0,0,0|1,0,1]=3 240 B11R0.35 C=CCN(CC(=O)O)CC(F)F 269956a_100000744315_100011934356 [0,1,0,0,0,0|2,0,1]=4 241 B11R0.35 C=CCN(CC(=O)O)C[C@@H](C)O 269956a_100000744315_100009817552 [0,1,0,0,0,0|1,0,1]=3 242 B11R0.35 CC(C)CN(CCO)CC(=O)N 2230a_100015185251_100000747473 [0,1,0,0,0,0|2,0,0]=3 243 B11R0.35 CC(C)CN(CCO)CC(=O)N 269982a_100015185251_100000187820 [0,1,0,0,0,0|2,0,0]=3 244 B11R0.35 CC(C)CN(CCO)CC(=O)O 269956a_100000747938_100000210760 [0,1,0,0,0,0|1,0,0]=2 245 B11R0.35 CC(C)CN(CCO)CC(=O)[O-] 269982a_100015185251_100020667443 [0,1,0,0,0,0|1,0,1]=3 246 B11R0.35 CC(C)CN(CCO)CC(C)O 2230a_100000731851_100000210760 [0,1,0,0,0,0|2,0,1]=4 247 B11R0.35 CC(C)CN(CCO)CC(C)O 2230a_100015185251_100011218427 [0,1,0,0,0,0|2,0,1]=4 248 B11R0.35 CC(C)CN(CCO)CC(C)O 269982a_100000731851_100000210624 [0,1,0,0,0,0|2,0,1]=4 249 B11R0.35 CC(C)CN(CCO)CC(C)O 269982a_100015185251_100011218427 [0,1,0,0,0,0|2,0,1]=4 250 B11R0.35 CC(C)CN(CCO)C[C@@H](C)O 2230a_100015185251_100009817552 [0,1,0,0,0,0|2,0,1]=4 251 B11R0.35 CC(C)CN(CCO)C[C@@H](C)O 269982a_100015185251_100009817552 [0,1,0,0,0,0|2,0,1]=4 252 B11R0.35 CC(C)CN(CCO)C[N+](=O)[O-] 269982a_100015185251_100000761209 [0,1,0,0,0,0|2,0,1]=4 253 B11R0.35 CC(O)CN(CCF)CC(C)O 2230a_100011218400_100011217306 [0,1,0,0,0,0|2,0,1]=4 254 B11R0.35 CC(O)CN(CCF)CC(C)O 269982a_100011218400_100011217306 [0,1,0,0,0,0|2,0,1]=4 255 B11R0.35 CC(O)CN(CCO)CC(=O)N 2230a_100000731851_100000747473 [0,1,0,0,0,0|1,0,0]=2 256 B11R0.35 CC(O)CN(CCO)CC(=O)N 269982a_100000731851_100000187820 [0,1,0,0,0,0|1,0,0]=2 257 B11R0.35 CC(O)CN(CCO)CC(=O)O 269956a_100000747938_100011218427 [0,1,0,0,0,0|0,0,0]=1 258 B11R0.35 CC(O)CN(CCO)CC(=O)[O-] 269982a_100000731851_100020667443 [0,1,0,0,0,0|0,0,1]=2 259 B11R0.35 CC(O)CN(CCO)CC(C)O 2230a_100000731851_100011218427 [0,1,0,0,0,0|1,0,1]=3 260 B11R0.35 CC(O)CN(CCO)CC(C)O 2230a_100011218400_100000211926 [0,1,0,0,0,0|1,0,1]=3 261 B11R0.35 CC(O)CN(CCO)CC(C)O 269982a_100000731851_100011218427 [0,1,0,0,0,0|1,0,1]=3 262 B11R0.35 CC(O)CN(CCO)CC(C)O 269982a_100011218400_100000211926 [0,1,0,0,0,0|1,0,1]=3 263 B11R0.35 CC(O)CN(CCO)CC(F)F 2230a_100000731851_100011934356 [0,1,0,0,0,0|2,0,1]=4 264 B11R0.35 CC(O)CN(CCO)CC(F)F 269982a_100000731851_100011934356 [0,1,0,0,0,0|2,0,1]=4 265 B11R0.35 CC(O)CN(CCO)C[C@@H](C)O 2230a_100000731851_100009817552 [0,1,0,0,0,0|1,0,1]=3 266 B11R0.35 CC(O)CN(CCO)C[C@@H](C)O 269982a_100000731851_100009817552 [0,1,0,0,0,0|1,0,1]=3 267 B11R0.35 CC(O)CN(CCO)C[N+](=O)[O-] 269982a_100000731851_100000761209 [0,1,0,0,0,0|1,0,1]=3 268 B11R0.35 CCCN(CC(C)O)CC(C)O 2230a_100011218400_100000210303 [0,1,0,0,0,0|2,0,1]=4 269 B11R0.35 CCCN(CC(C)O)CC(C)O 269982a_100011218400_100000210303 [0,1,0,0,0,0|2,0,1]=4 270 B11R0.35 C[C@@H](O)CN(CCO)CC(=O)O 269956a_100000747938_100009817552 [0,1,0,0,0,0|0,0,0]=1 271 B11R0.35 NC(=O)CN(CCO)CC(=O)N 2230a_100000232323_100000211926 [0,1,0,0,0,0|1,0,2]=4 272 B11R0.35 NC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000187820 [0,1,0,0,0,0|0,0,2]=3 273 B11R0.35 O=C(O)CN(CCO)CC(F)F 269956a_100000747938_100011934356 [0,1,0,0,0,0|1,0,0]=2 274 B11R0.35 O=C(O)CN(CCO)C[N+](=O)[O-] 269956a_100000747938_100000761209 [0,1,0,0,0,0|1,0,1]=3 275 B11R0.35 O=C([O-])CN(CCO)CC(=O)O 269956a_100000747938_100020667443 [0,1,0,0,0,0|0,0,2]=3 276 B11R0.39 C#CC(C)N(CCO)CC(=O)O 269956a_100000747938_200000035995 [0,1,0,0,0,0|1,0,1]=3 277 B11R0.39 C#CCN(CC(=O)O)C(C)CC 269956a_100011236498_100000758301 [0,1,0,0,0,0|2,0,1]=4 278 B11R0.39 C#CCN(CC(=O)O)[C@H](C)CO 269956a_100011236498_100016084084 [0,1,0,0,0,0|1,0,1]=3 279 B11R0.39 C=C(C)CN(CCC)C(C)CO 2230a_100011303929_100000748629 [0,1,0,0,0,0|3,0,0]=4 280 B11R0.39 C=C(C)CN(CCC)C(C)CO 269982a_100011303929_100000748629 [0,1,0,0,0,0|3,0,0]=4 281 B11R0.39 C=C(F)CN(CCC)C(C)CO 2230a_100011303929_100009893438 [0,1,0,0,0,0|3,0,0]=4 282 B11R0.39 C=C(F)CN(CCC)C(C)CO 269982a_100011303929_100009893438 [0,1,0,0,0,0|3,0,0]=4 283 B11R0.39 C=CC(C)N(CCO)CC(=O)O 269956a_100000747938_100011215867 [0,1,0,0,0,0|1,0,1]=3 284 B11R0.39 C=CCN(CC(=O)O)C(C)CC 269956a_100000744315_100000758301 [0,1,0,0,0,0|2,0,1]=4 285 B11R0.39 C=CCN(CC(=O)O)[C@H](C)CO 269956a_100000744315_100016084084 [0,1,0,0,0,0|1,0,1]=3 286 B11R0.39 CC(C#N)N(CCO)CC(=O)O 269956a_100000747938_100000184139 [0,1,0,0,0,0|1,0,1]=3 287 B11R0.39 CC(C)CN(CCO)C(C)CO 2230a_100015185251_100012180447 [0,1,0,0,0,0|2,0,1]=4 288 B11R0.39 CC(C)CN(CCO)[C@H](C)CO 269982a_100015185251_100016084084 [0,1,0,0,0,0|2,0,1]=4 289 B11R0.39 CC(O)CN(CCO)C(=O)CO 240690a_100000731851_100000210174 [0,1,0,0,0,0|1,0,2]=4 290 B11R0.39 CC(O)CN(CCO)C(=O)CO 527a_100000731851_100000210174 [0,1,0,0,0,0|1,0,2]=4 291 B11R0.39 CC(O)CN(CCO)C(C)CO 2230a_100000731851_100012180447 [0,1,0,0,0,0|1,0,1]=3 292 B11R0.39 CC(O)CN(CCO)[C@H](C)CO 269982a_100000731851_100016084084 [0,1,0,0,0,0|1,0,1]=3 293 B11R0.39 CCC(C)N(CCO)CC(=O)O 269956a_100000747938_100000758301 [0,1,0,0,0,0|1,0,0]=2 294 B11R0.39 CCC(C)N(CCO)CC(C)O 2230a_100000731851_100000758301 [0,1,0,0,0,0|2,0,1]=4 295 B11R0.39 CCC(C)N(CCO)CC(C)O 269982a_100000731851_100000758301 [0,1,0,0,0,0|2,0,1]=4 296 B11R0.39 CCCN(CC(=O)N)C(C)CC 2230a_200011216551_100000747473 [0,1,0,0,0,0|3,0,0]=4 297 B11R0.39 CCCN(CC(=O)N)C(C)CC 269982a_200011216551_100000187820 [0,1,0,0,0,0|3,0,0]=4 298 B11R0.39 CCCN(CC(=O)N)C(C)CO 2230a_100011303929_100000747473 [0,1,0,0,0,0|2,0,0]=3 299 B11R0.39 CCCN(CC(=O)N)C(C)CO 269982a_100011303929_100000187820 [0,1,0,0,0,0|2,0,0]=3 300 B11R0.39 CCCN(CC(=O)[O-])C(C)CC 269982a_200011216551_100020667443 [0,1,0,0,0,0|2,0,1]=4 301 B11R0.39 CCCN(CC(=O)[O-])C(C)CO 269982a_100011303929_100020667443 [0,1,0,0,0,0|1,0,1]=3 302 B11R0.39 CCCN(CC(C)O)C(C)CO 2230a_100011303929_100011218427 [0,1,0,0,0,0|2,0,1]=4 303 B11R0.39 CCCN(CC(C)O)C(C)CO 269982a_100011303929_100011218427 [0,1,0,0,0,0|2,0,1]=4 304 B11R0.39 CCCN(C[C@@H](C)O)C(C)CO 2230a_100011303929_100009817552 [0,1,0,0,0,0|2,0,1]=4 305 B11R0.39 CCCN(C[C@@H](C)O)C(C)CO 269982a_100011303929_100009817552 [0,1,0,0,0,0|2,0,1]=4 306 B11R0.39 CCCN(C[N+](=O)[O-])C(C)CO 269982a_100011303929_100000761209 [0,1,0,0,0,0|2,0,1]=4 307 B11R0.39 COC(C)N(CCO)CC(=O)O 269956a_100000747938_100009879195 [0,1,0,0,0,0|2,0,0]=3 308 B11R0.39 C[C@H](CO)N(CCO)CC(=O)O 269956a_100000747938_100016084084 [0,1,0,0,0,0|0,0,0]=1 309 B11R0.47 C#CCCN(CC#C)CC(=O)O 269956a_100011236498_100000688953 [0,1,0,0,0,0|2,0,1]=4 310 B11R0.47 C#CCCN(CC=C)CC(=O)O 269956a_100000744315_100000688953 [0,1,0,0,0,0|2,0,1]=4 311 B11R0.47 C#CCCN(CCO)CC(=O)O 269956a_100000747938_100000688953 [0,1,0,0,0,0|1,0,0]=2 312 B11R0.47 C#CCCN(CCO)CC(C)O 2230a_100000731851_100000688953 [0,1,0,0,0,0|2,0,1]=4 313 B11R0.47 C#CCCN(CCO)CC(C)O 269982a_100000731851_100000730999 [0,1,0,0,0,0|2,0,1]=4 314 B11R0.47 C#CCN(CCC#N)CC(=O)O 269956a_100011218032_100000184674 [0,1,0,0,0,0|2,0,1]=4 315 B11R0.47 C#CCN(CCC#N)CC(=O)O 269956a_100011236498_100011215226 [0,1,0,0,0,0|2,0,1]=4 316 B11R0.47 C#CCN(CCC=C)CC(=O)O 269956a_100011236498_100000754431 [0,1,0,0,0,0|2,0,1]=4 317 B11R0.47 C#CCN(CCCC)CC(=O)O 269956a_100011236498_100000210211 [0,1,0,0,0,0|2,0,1]=4 318 B11R0.47 C#CCN(CCCF)CC(=O)O 269956a_100011236498_100011934791 [0,1,0,0,0,0|2,0,1]=4 319 B11R0.47 C#CCN(CCCO)CC(=O)O 269956a_100011236498_100011215043 [0,1,0,0,0,0|1,0,1]=3 320 B11R0.47 C#CCN(CCOC)CC(=O)N 2230a_100000223814_100000747473 [0,1,0,0,0,0|2,0,1]=4 321 B11R0.47 C#CCN(CCOC)CC(=O)N 34a_100000223814_100000187820 [0,1,0,0,0,0|2,0,1]=4 322 B11R0.47 C#CCN(CCOC)CC(=O)O 269956a_100011236498_100000233755 [0,1,0,0,0,0|1,0,1]=3 323 B11R0.47 C#CCN(CCOC)CC(=O)[O-] 34a_100000223814_100020667443 [0,1,0,0,0,0|1,0,2]=4 324 B11R0.47 C#CCN(CCSC)CC(=O)O 269956a_100011236498_100000212216 [0,1,0,0,0,0|1,1,1]=4 325 B11R0.47 C#CCN(COCC)CC(=O)O 269956a_100011236498_100000739092 [0,1,0,0,0,0|2,0,1]=4 326 B11R0.47 C/C=C/CN(CCO)CC(=O)O 269956a_100000747938_100102629194 [0,1,0,0,0,0|1,0,1]=3 327 B11R0.47 C=C(C)CN(CCC)CCOC 2230a_200011192371_100000748629 [0,1,0,0,0,0|3,0,0]=4 328 B11R0.47 C=C(C)CN(CCC)CCOC 269982a_200011192371_100000748629 [0,1,0,0,0,0|3,0,0]=4 329 B11R0.47 C=C(C)CN(CCO)CCCC 2230a_100000198060_100000748629 [0,1,0,0,0,0|3,0,0]=4 330 B11R0.47 C=C(C)CN(CCO)CCCC 269982a_100000198060_100000748629 [0,1,0,0,0,0|3,0,0]=4 331 B11R0.47 C=C(C)CN(CCO)CCCO 2230a_200000212863_100000748629 [0,1,0,0,0,0|2,0,0]=3 332 B11R0.47 C=C(C)CN(CCO)CCCO 269982a_200000212863_100000748629 [0,1,0,0,0,0|2,0,0]=3 333 B11R0.47 C=C(F)CN(CCC)CCOC 2230a_200011192371_100009893438 [0,1,0,0,0,0|3,0,0]=4 334 B11R0.47 C=C(F)CN(CCC)CCOC 269982a_200011192371_100009893438 [0,1,0,0,0,0|3,0,0]=4 335 B11R0.47 C=C(F)CN(CCO)CCCC 2230a_100000198060_100009893438 [0,1,0,0,0,0|3,0,0]=4 336 B11R0.47 C=C(F)CN(CCO)CCCC 269982a_100000198060_100009893438 [0,1,0,0,0,0|3,0,0]=4 337 B11R0.47 C=C(F)CN(CCO)CCCO 2230a_200000212863_100009893438 [0,1,0,0,0,0|2,0,0]=3 338 B11R0.47 C=C(F)CN(CCO)CCCO 269982a_200000212863_100009893438 [0,1,0,0,0,0|2,0,0]=3 339 B11R0.47 C=CCCN(CC=C)CC(=O)O 269956a_100000744315_100000754431 [0,1,0,0,0,0|2,0,1]=4 340 B11R0.47 C=CCCN(CCO)CC(=O)O 269956a_100000747938_100000754431 [0,1,0,0,0,0|1,0,0]=2 341 B11R0.47 C=CCCN(CCO)CC(C)O 2230a_100000731851_100000754431 [0,1,0,0,0,0|2,0,1]=4 342 B11R0.47 C=CCCN(CCO)CC(C)O 269982a_100000731851_100000754431 [0,1,0,0,0,0|2,0,1]=4 343 B11R0.47 C=CCN(CCC#N)CC(=O)O 269956a_100000744315_100011215226 [0,1,0,0,0,0|2,0,1]=4 344 B11R0.47 C=CCN(CCC#N)CC(=O)O 269956a_100011218032_100000210623 [0,1,0,0,0,0|2,0,1]=4 345 B11R0.47 C=CCN(CCCC)CC(=O)O 269956a_100000744315_100000210211 [0,1,0,0,0,0|2,0,1]=4 346 B11R0.47 C=CCN(CCCF)CC(=O)O 269956a_100000744315_100011934791 [0,1,0,0,0,0|2,0,1]=4 347 B11R0.47 C=CCN(CCCO)CC(=O)O 269956a_100000744315_100011215043 [0,1,0,0,0,0|1,0,1]=3 348 B11R0.47 C=CCN(CCOC)CC(=O)O 269956a_100000744315_100000233755 [0,1,0,0,0,0|1,0,1]=3 349 B11R0.47 C=CCN(CCSC)CC(=O)O 269956a_100000744315_100000212216 [0,1,0,0,0,0|1,1,1]=4 350 B11R0.47 C=CCN(COCC)CC(=O)O 269956a_100000744315_100000739092 [0,1,0,0,0,0|2,0,1]=4 351 B11R0.47 CC#CCN(CCO)CC(=O)O 269956a_100000747938_100000748600 [0,1,0,0,0,0|1,0,1]=3 352 B11R0.47 CC(C)CN(CCO)CCCO 2230a_100015185251_100000230001 [0,1,0,0,0,0|2,0,1]=4 353 B11R0.47 CC(C)CN(CCO)CCCO 2230a_200000212863_100000210760 [0,1,0,0,0,0|2,0,1]=4 354 B11R0.47 CC(C)CN(CCO)CCCO 269982a_100015185251_100011215043 [0,1,0,0,0,0|2,0,1]=4 355 B11R0.47 CC(C)CN(CCO)CCCO 269982a_200000212863_100000210624 [0,1,0,0,0,0|2,0,1]=4 356 B11R0.47 CC(C)CN(CCO)CCCO 270004a_200000212863_100000210432 [0,1,0,0,0,0|2,0,1]=4 357 B11R0.47 CC(O)CN(CCO)CCC#N 2230a_100000731851_100011215226 [0,1,0,0,0,0|2,0,1]=4 358 B11R0.47 CC(O)CN(CCO)CCC#N 269982a_100000731851_100011215226 [0,1,0,0,0,0|2,0,1]=4 359 B11R0.47 CC(O)CN(CCO)CCCF 2230a_100000731851_100011934791 [0,1,0,0,0,0|2,0,1]=4 360 B11R0.47 CC(O)CN(CCO)CCCF 269982a_100000731851_100011934791 [0,1,0,0,0,0|2,0,1]=4 361 B11R0.47 CC(O)CN(CCO)CCCO 2230a_100000731851_100000230001 [0,1,0,0,0,0|1,0,1]=3 362 B11R0.47 CC(O)CN(CCO)CCCO 2230a_200000212863_100011218427 [0,1,0,0,0,0|1,0,1]=3 363 B11R0.47 CC(O)CN(CCO)CCCO 269982a_100000731851_100011215043 [0,1,0,0,0,0|1,0,1]=3 364 B11R0.47 CC(O)CN(CCO)CCCO 269982a_200000212863_100011218427 [0,1,0,0,0,0|1,0,1]=3 365 B11R0.47 CCCCN(CCC)CC(=O)N 2230a_200000207744_100000747473 [0,1,0,0,0,0|3,0,0]=4 366 B11R0.47 CCCCN(CCC)CC(=O)N 269982a_200000207744_100000187820 [0,1,0,0,0,0|3,0,0]=4 367 B11R0.47 CCCCN(CCC)CC(=O)[O-] 269982a_200000207744_100020667443 [0,1,0,0,0,0|2,0,1]=4 368 B11R0.47 CCCCN(CCO)CC(=O)N 2230a_100000198060_100000747473 [0,1,0,0,0,0|2,0,0]=3 369 B11R0.47 CCCCN(CCO)CC(=O)N 269982a_100000198060_100000187820 [0,1,0,0,0,0|2,0,0]=3 370 B11R0.47 CCCCN(CCO)CC(=O)O 269956a_100000747938_100000210211 [0,1,0,0,0,0|1,0,0]=2 371 B11R0.47 CCCCN(CCO)CC(=O)[O-] 269982a_100000198060_100020667443 [0,1,0,0,0,0|1,0,1]=3 372 B11R0.47 CCCCN(CCO)CC(C)O 2230a_100000198060_100011218427 [0,1,0,0,0,0|2,0,1]=4 373 B11R0.47 CCCCN(CCO)CC(C)O 2230a_100000731851_100000210211 [0,1,0,0,0,0|2,0,1]=4 374 B11R0.47 CCCCN(CCO)CC(C)O 269982a_100000198060_100011218427 [0,1,0,0,0,0|2,0,1]=4 375 B11R0.47 CCCCN(CCO)CC(C)O 269982a_100000731851_100000210211 [0,1,0,0,0,0|2,0,1]=4 376 B11R0.47 CCCCN(CCO)C[C@@H](C)O 2230a_100000198060_100009817552 [0,1,0,0,0,0|2,0,1]=4 377 B11R0.47 CCCCN(CCO)C[C@@H](C)O 269982a_100000198060_100009817552 [0,1,0,0,0,0|2,0,1]=4 378 B11R0.47 CCCCN(CCO)C[N+](=O)[O-] 269982a_100000198060_100000761209 [0,1,0,0,0,0|2,0,1]=4 379 B11R0.47 CCCN(CCC#N)CC(=O)N 2230a_100000176855_100000747473 [0,1,0,0,0,0|3,0,0]=4 380 B11R0.47 CCCN(CCC#N)CC(=O)O 269956a_100011218032_100000210207 [0,1,0,0,0,0|2,0,0]=3 381 B11R0.47 CCCN(CCOC)CC(=O)N 2230a_200011192371_100000747473 [0,1,0,0,0,0|2,0,0]=3 382 B11R0.47 CCCN(CCOC)CC(=O)N 269982a_200011192371_100000187820 [0,1,0,0,0,0|2,0,0]=3 383 B11R0.47 CCCN(CCOC)CC(=O)[O-] 269982a_200011192371_100020667443 [0,1,0,0,0,0|1,0,1]=3 384 B11R0.47 CCCN(CCOC)CC(C)O 2230a_200011192371_100011218427 [0,1,0,0,0,0|2,0,1]=4 385 B11R0.47 CCCN(CCOC)CC(C)O 269982a_200011192371_100011218427 [0,1,0,0,0,0|2,0,1]=4 386 B11R0.47 CCCN(CCOC)C[C@@H](C)O 2230a_200011192371_100009817552 [0,1,0,0,0,0|2,0,1]=4 387 B11R0.47 CCCN(CCOC)C[C@@H](C)O 269982a_200011192371_100009817552 [0,1,0,0,0,0|2,0,1]=4 388 B11R0.47 CCCN(CCOC)C[N+](=O)[O-] 269982a_200011192371_100000761209 [0,1,0,0,0,0|2,0,1]=4 389 B11R0.47 CCOCN(CCO)CC(=O)O 269956a_100000747938_100000739092 [0,1,0,0,0,0|1,0,0]=2 390 B11R0.47 CCOCN(CCO)CC(C)O 269982a_100000731851_100000739092 [0,1,0,0,0,0|2,0,1]=4 391 B11R0.47 COCCN(CC#N)CC(=O)N 2230a_100011199603_100000747473 [0,1,0,0,0,0|2,0,1]=4 392 B11R0.47 COCCN(CCO)CC(=O)O 269956a_100000747938_100000233755 [0,1,0,0,0,0|0,0,0]=1 393 B11R0.47 COCCN(CCO)CC(C)C 2230a_100015185251_100011201679 [0,1,0,0,0,0|2,0,1]=4 394 B11R0.47 COCCN(CCO)CC(C)C 269982a_100015185251_100000233755 [0,1,0,0,0,0|2,0,1]=4 395 B11R0.47 COCCN(CCO)CC(C)O 2230a_100000731851_100011201679 [0,1,0,0,0,0|1,0,1]=3 396 B11R0.47 COCCN(CCO)CC(C)O 269982a_100000731851_100000233755 [0,1,0,0,0,0|1,0,1]=3 397 B11R0.47 COCN(CCC#N)CC(=O)O 269956a_100011218032_100000766300 [0,1,0,0,0,0|3,0,0]=4 398 B11R0.47 CSCCN(CCO)CC(=O)O 269956a_100000747938_100000212216 [0,1,0,0,0,0|0,1,0]=2 399 B11R0.47 CSCCN(CCO)CC(C)O 2230a_100000731851_100000751147 [0,1,0,0,0,0|1,1,1]=4 400 B11R0.47 CSCCN(CCO)CC(C)O 269982a_100000731851_100000212216 [0,1,0,0,0,0|1,1,1]=4 401 B11R0.47 CSCN(CCC#N)CC(=O)O 269956a_100011218032_100011218213 [0,1,0,0,0,0|3,0,0]=4 402 B11R0.47 C[C@@H](O)CN(CCO)CCCO 2230a_200000212863_100009817552 [0,1,0,0,0,0|1,0,1]=3 403 B11R0.47 C[C@@H](O)CN(CCO)CCCO 269982a_200000212863_100009817552 [0,1,0,0,0,0|1,0,1]=3 404 B11R0.47 N#CCCN(CC#N)CC(=O)O 269956a_100011218032_100011215382 [0,1,0,0,0,0|2,0,1]=4 405 B11R0.47 N#CCCN(CC=O)CC(=O)O 269956a_100011218032_200015260668 [0,1,0,0,0,0|1,0,2]=4 406 B11R0.47 N#CCCN(CCF)CC(=O)O 269956a_100011218032_100011217306 [0,1,0,0,0,0|2,0,0]=3 407 B11R0.47 N#CCCN(CCO)CC(=O)O 269956a_100000747938_100011215226 [0,1,0,0,0,0|1,0,0]=2 408 B11R0.47 N#CCCN(CCO)CC(=O)O 269956a_100011218032_100000211926 [0,1,0,0,0,0|1,0,0]=2 409 B11R0.47 N#CSCN(CCO)CC(=O)O 269956a_100000747938_100000211825 [0,1,0,0,0,0|1,0,1]=3 410 B11R0.47 NC(=O)CN(CCO)CCCO 2230a_200000212863_100000747473 [0,1,0,0,0,0|1,0,0]=2 411 B11R0.47 NC(=O)CN(CCO)CCCO 269982a_200000212863_100000187820 [0,1,0,0,0,0|1,0,0]=2 412 B11R0.47 O=C(O)CN(CCO)CCCF 269956a_100000747938_100011934791 [0,1,0,0,0,0|1,0,0]=2 413 B11R0.47 O=C(O)CN(CCO)CCCO 269956a_100000747938_100011215043 [0,1,0,0,0,0|0,0,0]=1 414 B11R0.47 O=C([O-])CN(CCO)CCCO 269982a_200000212863_100020667443 [0,1,0,0,0,0|0,0,1]=2 415 B11R0.47 O=[N+]([O-])CN(CCO)CCCO 269982a_200000212863_100000761209 [0,1,0,0,0,0|1,0,1]=3 416 B11R0.47 OCCCN(CCO)CC(F)F 2230a_200000212863_100011934356 [0,1,0,0,0,0|2,0,1]=4 417 B11R0.47 OCCCN(CCO)CC(F)F 269982a_200000212863_100011934356 [0,1,0,0,0,0|2,0,1]=4 418 B11R0.95 CC(C)(C)CN(CCO)CCO 2230a_100000752879_100000211926 [0,1,0,0,0,0|2,0,1]=4 419 B11R0.95 CC(C)(C)CN(CCO)CCO 269982a_100000752879_100000211926 [0,1,0,0,0,0|2,0,1]=4 420 B11R0.95 CC(C)(C)CN(CCO)CCO 270004a_100000210587_100011204126 [0,1,0,0,0,0|2,0,1]=4 421 B11R0.95 C[N+](C)(C)CN(CCO)CCO 269982a_100000210587_200000036245 [0,1,0,0,0,0|3,0,0]=4 422 B11R0.95 C[Si](C)(C)CN(CCO)CCO 2230a_100000210587_100000037933 [0,1,0,0,0,0|2,1,0]=4 423 B11R0.95 OCCN(CCO)CC(F)(F)F 2230a_100000210587_100000763148 [0,1,0,0,0,0|2,0,1]=4 424 B11R0.98 C#CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000184674 [0,1,0,0,0,0|1,0,1]=3 425 B11R0.98 C=CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210623 [0,1,0,0,0,0|1,0,1]=3 426 B11R0.98 CC(=O)C(C)N(CCO)CCO 2230a_100000210587_100009814033 [0,1,0,0,0,0|1,0,0]=2 427 B11R0.98 CC(=O)C(C)N(CCO)CCO 269982a_100000210587_100009814033 [0,1,0,0,0,0|1,0,0]=2 428 B11R0.98 CC(C(=O)N)N(CCO)CCO 2230a_100000210587_100000702099 [0,1,0,0,0,0|1,0,0]=2 429 B11R0.98 CC(C(=O)N)N(CCO)CCO 269982a_100000210587_100000184083 [0,1,0,0,0,0|1,0,0]=2 430 B11R0.98 CC(C(=O)O)N(CC#N)CCO 269956a_100011300695_100011215382 [0,1,0,0,0,0|1,0,1]=3 431 B11R0.98 CC(C(=O)O)N(CC=O)CCO 269956a_100011300695_200015260668 [0,1,0,0,0,0|0,0,2]=3 432 B11R0.98 CC(C(=O)O)N(CCO)CCF 269956a_100011300695_100011217306 [0,1,0,0,0,0|1,0,0]=2 433 B11R0.98 CC(C(=O)O)N(CCO)CCO 269956a_100011300695_100000211926 [0,1,0,0,0,0|0,0,0]=1 434 B11R0.98 CCCN(CCC)C(C)C(=O)C 2230a_100000210455_100009814033 [0,1,0,0,0,0|3,0,0]=4 435 B11R0.98 CCCN(CCC)C(C)C(=O)C 269982a_100000210455_100009814033 [0,1,0,0,0,0|3,0,0]=4 436 B11R0.98 CCCN(CCC)C(C)C(=O)N 2230a_100000210455_100000702099 [0,1,0,0,0,0|3,0,0]=4 437 B11R0.98 CCCN(CCC)C(C)C(=O)N 269982a_100000210455_100000184083 [0,1,0,0,0,0|3,0,0]=4 438 B11R0.98 CCCN(CCC)C(F)C(=O)N 2230a_100000210455_100009813875 [0,1,0,0,0,0|3,0,0]=4 439 B11R0.98 CCCN(CCC)C(F)C(=O)N 269982a_100000210455_100009813875 [0,1,0,0,0,0|3,0,0]=4 440 B11R0.98 CCCN(CCC)[C@@H](C)C(=O)C 1458a_200009815822_200000210301 [0,1,0,0,0,0|3,0,0]=4 441 B11R0.98 CCCN(CCC)[C@@H](C)C(=O)[13CH3] 1458a_200009815822_200025704644 [0,1,0,0,0,0|3,0,0]=4 442 B11R0.98 CCCN(CCO)C(=O)C(=O)N 240690a_100000211420_100011215815 [0,1,0,0,0,0|2,0,1]=4 443 B11R0.98 CCCN(CCO)C(C)C(=O)C 2230a_100000211420_100009814033 [0,1,0,0,0,0|2,0,0]=3 444 B11R0.98 CCCN(CCO)C(C)C(=O)C 269982a_100000211420_100009814033 [0,1,0,0,0,0|2,0,0]=3 445 B11R0.98 CCCN(CCO)C(C)C(=O)N 2230a_100000211420_100000702099 [0,1,0,0,0,0|2,0,0]=3 446 B11R0.98 CCCN(CCO)C(C)C(=O)N 269982a_100000211420_100000184083 [0,1,0,0,0,0|2,0,0]=3 447 B11R0.98 CCCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210207 [0,1,0,0,0,0|1,0,0]=2 448 B11R0.98 CCCN(CCO)C(F)C(=O)N 2230a_100000211420_100009813875 [0,1,0,0,0,0|2,0,0]=3 449 B11R0.98 CCCN(CCO)C(F)C(=O)N 269982a_100000211420_100009813875 [0,1,0,0,0,0|2,0,0]=3 450 B11R0.98 COCN(CCO)C(C)C(=O)O 269956a_100011300695_100000766300 [0,1,0,0,0,0|2,0,0]=3 451 B11R0.98 CSCN(CCO)C(C)C(=O)O 269956a_100011300695_100011218213 [0,1,0,0,0,0|2,0,0]=3 452 B11R0.98 C[C@@H](O)C(=O)N(CCO)CCO 240690a_100000210587_100000717761 [0,1,0,0,0,0|1,0,2]=4 453 B11R0.98 C[C@H](O)C(=O)N(CCO)CCO 240690a_100000210587_217856618621 [0,1,0,0,0,0|1,0,2]=4 454 B11R0.98 NC(=O)C(=O)N(CCO)CCO 240690a_100000210587_100011215815 [0,1,0,0,0,0|1,0,1]=3 455 B11R0.98 NC(=O)C(F)N(CCO)CCO 2230a_100000210587_100009813875 [0,1,0,0,0,0|1,0,0]=2 456 B11R0.98 NC(=O)C(F)N(CCO)CCO 269982a_100000210587_100009813875 [0,1,0,0,0,0|1,0,0]=2 457 B11R0.98 O=C(C(O)O)N(CCO)CCO 240690a_100000210587_100000233687 [0,1,0,0,0,0|0,0,3]=4 458 B11R0.279 C=C(C#N)CN(CCC)CCO 2230a_100000211420_100000694840 [0,1,0,0,0,0|3,0,0]=4 459 B11R0.279 C=C(C#N)CN(CCC)CCO 269982a_100000211420_100000694840 [0,1,0,0,0,0|3,0,0]=4 460 B11R0.279 C=C(C#N)CN(CCO)CCO 2230a_100000210587_100000694840 [0,1,0,0,0,0|2,0,0]=3 461 B11R0.279 C=C(C#N)CN(CCO)CCO 269982a_100000210587_100000694840 [0,1,0,0,0,0|2,0,0]=3 462 B11R0.279 C=CC(O)CN(CCC)CCO 2230a_100000211420_100000730141 [0,1,0,0,0,0|2,0,1]=4 463 B11R0.279 C=CC(O)CN(CCO)CCO 2230a_100000210587_100000730141 [0,1,0,0,0,0|1,0,1]=3 464 B11R0.279 CCC(=O)CN(CCO)CCO 269982a_100000210587_100000747405 [0,1,0,0,0,0|1,0,0]=2 465 B11R0.279 CCC(C)CN(CCO)CCO 2230a_100000210587_100000748023 [0,1,0,0,0,0|2,0,1]=4 466 B11R0.279 CCC(C)CN(CCO)CCO 269982a_100000210587_100000748023 [0,1,0,0,0,0|2,0,1]=4 467 B11R0.279 CCC(C)CN(CCO)CCO 270004a_100000210587_100000243153 [0,1,0,0,0,0|2,0,1]=4 468 B11R0.279 CCC(O)CN(CCO)CCO 2230a_100000210587_100011218378 [0,1,0,0,0,0|1,0,1]=3 469 B11R0.279 CCC(O)CN(CCO)CCO 269982a_100000210587_100011218378 [0,1,0,0,0,0|1,0,1]=3 470 B11R0.279 CCCN(CCC)CC(=O)CC 1458a_200011243382_100000210202 [0,1,0,0,0,0|3,0,0]=4 471 B11R0.279 CCCN(CCC)CC(=O)CC 269982a_100000210455_100000747405 [0,1,0,0,0,0|3,0,0]=4 472 B11R0.279 CCCN(CCC)CC(=O)CF 1458a_200011243382_100015361967 [0,1,0,0,0,0|3,0,0]=4 473 B11R0.279 CCCN(CCC)CC(=O)NC 11a_106832991635_200011243382 [0,1,0,0,0,0|3,0,0]=4 474 B11R0.279 CCCN(CCC)CC(=O)NC 1626a_100102657272_200011243382 [0,1,0,0,0,0|3,0,0]=4 475 B11R0.279 CCCN(CCC)CC(=O)NC 2230a_100000210455_100000183359 [0,1,0,0,0,0|3,0,0]=4 476 B11R0.279 CCCN(CCC)CC(=O)NC 240690a_100102657272_200011243382 [0,1,0,0,0,0|3,0,0]=4 477 B11R0.279 CCCN(CCC)CC(=O)NC 269982a_100000210455_100000183359 [0,1,0,0,0,0|3,0,0]=4 478 B11R0.279 CCCN(CCC)CC(=O)NC 527a_100102657272_200011243382 [0,1,0,0,0,0|3,0,0]=4 479 B11R0.279 CCCN(CCC)CC(=O)OC 2230a_100000210455_100000747449 [0,1,0,0,0,0|2,0,0]=3 480 B11R0.279 CCCN(CCC)CC(=O)OC 269982a_100000210455_100000747449 [0,1,0,0,0,0|2,0,0]=3 481 B11R0.279 CCCN(CCO)CC(=O)CC 269982a_100000211420_100000747405 [0,1,0,0,0,0|2,0,0]=3 482 B11R0.279 CCCN(CCO)CC(=O)NC 2230a_100000211420_100000183359 [0,1,0,0,0,0|2,0,0]=3 483 B11R0.279 CCCN(CCO)CC(=O)NC 269982a_100000211420_100000183359 [0,1,0,0,0,0|2,0,0]=3 484 B11R0.279 CCCN(CCO)CC(=O)OC 2230a_100000211420_100000747449 [0,1,0,0,0,0|1,0,0]=2 485 B11R0.279 CCCN(CCO)CC(=O)OC 269982a_100000211420_100000747449 [0,1,0,0,0,0|1,0,0]=2 486 B11R0.279 CCCN(CCO)CC(O)CC 2230a_100000211420_100011218378 [0,1,0,0,0,0|2,0,1]=4 487 B11R0.279 CCCN(CCO)CC(O)CC 269982a_100000211420_100011218378 [0,1,0,0,0,0|2,0,1]=4 488 B11R0.279 CCCN(CCO)CC(O)CO 2230a_100000211420_100011219619 [0,1,0,0,0,0|1,0,2]=4 489 B11R0.279 CCCN(CCO)CC(O)CO 2230a_200000156893_100000211926 [0,1,0,0,0,0|1,0,2]=4 490 B11R0.279 CCCN(CCO)CC(O)CO 269982a_200000156893_100000211926 [0,1,0,0,0,0|1,0,2]=4 491 B11R0.279 CCCN(CCO)C[C@@H](C)CO 2230a_100000211420_100000059175 [0,1,0,0,0,0|2,0,1]=4 492 B11R0.279 CCCN(CCO)C[C@@H](C)CO 269982a_100000211420_100000059175 [0,1,0,0,0,0|2,0,1]=4 493 B11R0.279 CCCN(CCO)C[C@@H](O)CF 2230a_100000211420_100015614560 [0,1,0,0,0,0|2,0,1]=4 494 B11R0.279 CCCN(CCO)C[C@@H](O)CO 2230a_100000211420_100009815848 [0,1,0,0,0,0|1,0,2]=4 495 B11R0.279 CCC[C@@H](CCO)NC(=O)CO 240690a_100015193777_100000210174 [0,1,0,0,0,0|3,0,0]=4 496 B11R0.279 CCC[C@@H](CCO)NC(=O)CO 527a_100015193777_100000210174 [0,1,0,0,0,0|3,0,0]=4 497 B11R0.279 CC[C@H](C)CN(CCO)CCO 2230a_100000210587_100009816398 [0,1,0,0,0,0|2,0,1]=4 498 B11R0.279 CC[C@H](C)CN(CCO)CCO 269982a_100000210587_100009816398 [0,1,0,0,0,0|2,0,1]=4 499 B11R0.279 CNC(=O)CN(CCO)CCO 2230a_100000210587_100000183359 [0,1,0,0,0,0|1,0,0]=2 500 B11R0.279 CNC(=O)CN(CCO)CCO 269982a_100000210587_100000183359 [0,1,0,0,0,0|1,0,0]=2 501 B11R0.279 COC(=O)CN(CCO)CCO 2230a_100000210587_100000747449 [0,1,0,0,0,0|0,0,0]=1 502 B11R0.279 COC(=O)CN(CCO)CCO 269982a_100000210587_100000747449 [0,1,0,0,0,0|0,0,0]=1 503 B11R0.279 C[C@@H](CO)CN(CCO)CCO 2230a_100000210587_100000059175 [0,1,0,0,0,0|1,0,1]=3 504 B11R0.279 C[C@@H](CO)CN(CCO)CCO 269982a_100000210587_100000059175 [0,1,0,0,0,0|1,0,1]=3 505 B11R0.279 OCCN(CCO)CC(O)CO 2230a_100000210587_100011219619 [0,1,0,0,0,0|0,0,2]=3 506 B11R0.279 OCCN(CCO)C[C@@H](O)CF 2230a_100000210587_100015614560 [0,1,0,0,0,0|1,0,1]=3 507 B11R0.279 OCCN(CCO)C[C@@H](O)CO 2230a_100000210587_100009815848 [0,1,0,0,0,0|0,0,2]=3 508 B11R1.34 CC1CN(CC(O1)C)CCO 2230a_100000210032_100000211926 [0,0,0,1,0,0|2,0,1]=4 509 B11R1.34 CC1CN(CC(O1)C)CCO 269982a_100000210032_100000211926 [0,0,0,1,0,0|2,0,1]=4 510 B11R1.34 CC1CN(CC(O1)C)CCO 34a_100000210032_100000211926 [0,0,0,1,0,0|2,0,1]=4 511 B11R1.57 C=C(C)CN1CCC[C@@H]1CO 2230a_100000745186_100000748629 [0,0,0,1,0,0|3,0,0]=4 512 B11R1.57 C=C(C)CN1CCC[C@@H]1CO 269982a_100000745186_100000748629 [0,0,0,1,0,0|3,0,0]=4 513 B11R1.57 C=C(C)CN1CCC[C@@H]1CO 34a_100000745186_100000748629 [0,0,0,1,0,0|3,0,0]=4 514 B11R1.57 C=C(F)CN1CCC[C@@H]1CO 2230a_100000745186_100009893438 [0,0,0,1,0,0|3,0,0]=4 515 B11R1.57 C=C(F)CN1CCC[C@@H]1CO 269982a_100000745186_100009893438 [0,0,0,1,0,0|3,0,0]=4 516 B11R1.57 C=C(F)CN1CCC[C@@H]1CO 34a_100000745186_100009893438 [0,0,0,1,0,0|3,0,0]=4 517 B11R1.57 CC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011218427 [0,0,0,1,0,0|2,0,1]=4 518 B11R1.57 CC(O)CN1CCC[C@@H]1CO 269982a_100000745186_100011218427 [0,0,0,1,0,0|2,0,1]=4 519 B11R1.57 CC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011218427 [0,0,0,1,0,0|2,0,1]=4 520 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [0,0,0,1,0,0|3,0,0]=4 521 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [0,0,0,1,0,0|3,0,0]=4 522 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [0,0,0,1,0,0|3,0,0]=4 523 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [0,0,0,1,0,0|2,0,1]=4 524 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [0,0,0,1,0,0|2,0,1]=4 525 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 2230a_100000745186_100009817552 [0,0,0,1,0,0|2,0,1]=4 526 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 269982a_100000745186_100009817552 [0,0,0,1,0,0|2,0,1]=4 527 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 34a_100000745186_100009817552 [0,0,0,1,0,0|2,0,1]=4 528 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747473 [0,0,0,1,0,0|2,0,0]=3 529 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000187820 [0,0,0,1,0,0|2,0,0]=3 530 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000187820 [0,0,0,1,0,0|2,0,0]=3 531 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 269982a_100000745186_100020667443 [0,0,0,1,0,0|1,0,1]=3 532 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 34a_100000745186_100020667443 [0,0,0,1,0,0|1,0,1]=3 533 B11R1.57 O=[N+]([O-])CN1CCC[C@@H]1CO 269982a_100000745186_100000761209 [0,0,0,1,0,0|2,0,1]=4 534 B11R1.57 O=[N+]([O-])CN1CCC[C@@H]1CO 34a_100000745186_100000761209 [0,0,0,1,0,0|2,0,1]=4 535 B11R1.80 C=C(C)CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000748629 [0,0,0,1,0,0|3,0,0]=4 536 B11R1.80 C=C(C)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000748629 [0,0,0,1,0,0|3,0,0]=4 537 B11R1.80 C=C(C)CN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000748629 [0,0,0,1,0,0|3,0,0]=4 538 B11R1.80 C=C(C)CN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000748629 [0,0,0,1,0,0|3,0,0]=4 539 B11R1.80 C=C(C)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000748629 [0,0,0,1,0,0|2,0,0]=3 540 B11R1.80 C=C(C)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000748629 [0,0,0,1,0,0|2,0,0]=3 541 B11R1.80 C=C(F)CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100009893438 [0,0,0,1,0,0|3,0,0]=4 542 B11R1.80 C=C(F)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100009893438 [0,0,0,1,0,0|3,0,0]=4 543 B11R1.80 C=C(F)CN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100009893438 [0,0,0,1,0,0|3,0,0]=4 544 B11R1.80 C=C(F)CN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100009893438 [0,0,0,1,0,0|3,0,0]=4 545 B11R1.80 C=C(F)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100009893438 [0,0,0,1,0,0|2,0,0]=3 546 B11R1.80 C=C(F)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100009893438 [0,0,0,1,0,0|2,0,0]=3 547 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210760 [0,0,0,1,0,0|2,0,1]=4 548 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210624 [0,0,0,1,0,0|2,0,1]=4 549 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)O)O 270004a_100015207562_100000210432 [0,0,0,1,0,0|2,0,1]=4 550 B11R1.80 CC(O)CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100011218427 [0,0,0,1,0,0|2,0,1]=4 551 B11R1.80 CC(O)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100011218427 [0,0,0,1,0,0|2,0,1]=4 552 B11R1.80 CC(O)CN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100011218427 [0,0,0,1,0,0|2,0,1]=4 553 B11R1.80 CC(O)CN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100011218427 [0,0,0,1,0,0|2,0,1]=4 554 B11R1.80 CC(O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011218427 [0,0,0,1,0,0|1,0,1]=3 555 B11R1.80 CC(O)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011218427 [0,0,0,1,0,0|1,0,1]=3 556 B11R1.80 C[C@@H](O)CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100009817552 [0,0,0,1,0,0|2,0,1]=4 557 B11R1.80 C[C@@H](O)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100009817552 [0,0,0,1,0,0|2,0,1]=4 558 B11R1.80 C[C@@H](O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100009817552 [0,0,0,1,0,0|1,0,1]=3 559 B11R1.80 C[C@@H](O)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100009817552 [0,0,0,1,0,0|1,0,1]=3 560 B11R1.80 C[C@@H]1CN(C[C@@H]1O)CC(=O)N 2230a_200015306588_100000747473 [0,0,0,1,0,0|2,0,0]=3 561 B11R1.80 C[C@@H]1CN(C[C@@H]1O)CC(=O)N 269982a_200015306588_100000187820 [0,0,0,1,0,0|2,0,0]=3 562 B11R1.80 C[C@@H]1CN(C[C@@H]1O)CC(=O)[O-] 269982a_200015306588_100020667443 [0,0,0,1,0,0|1,0,1]=3 563 B11R1.80 C[C@@H]1CN(C[C@@H]1O)C[C@@H](C)O 2230a_200015306588_100009817552 [0,0,0,1,0,0|2,0,1]=4 564 B11R1.80 C[C@@H]1CN(C[C@@H]1O)C[C@@H](C)O 269982a_200015306588_100009817552 [0,0,0,1,0,0|2,0,1]=4 565 B11R1.80 C[C@@H]1CN(C[C@@H]1O)C[N+](=O)[O-] 269982a_200015306588_100000761209 [0,0,0,1,0,0|2,0,1]=4 566 B11R1.80 NC(=O)CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000747473 [0,0,0,1,0,0|2,0,0]=3 567 B11R1.80 NC(=O)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000187820 [0,0,0,1,0,0|2,0,0]=3 568 B11R1.80 NC(=O)CN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000187820 [0,0,0,1,0,0|3,0,0]=4 569 B11R1.80 NC(=O)CN1C[C@H]([C@H](C1)F)F 34a_100103146936_100000187820 [0,0,0,1,0,0|3,0,0]=4 570 B11R1.80 NC(=O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000747473 [0,0,0,1,0,0|1,0,0]=2 571 B11R1.80 NC(=O)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000187820 [0,0,0,1,0,0|1,0,0]=2 572 B11R1.80 O=C([O-])CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100020667443 [0,0,0,1,0,0|1,0,1]=3 573 B11R1.80 O=C([O-])CN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100020667443 [0,0,0,1,0,0|2,0,1]=4 574 B11R1.80 O=C([O-])CN1C[C@H]([C@H](C1)F)F 34a_100103146936_100020667443 [0,0,0,1,0,0|2,0,1]=4 575 B11R1.80 O=C([O-])CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100020667443 [0,0,0,1,0,0|0,0,1]=2 576 B11R1.80 O=[N+]([O-])CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000761209 [0,0,0,1,0,0|2,0,1]=4 577 B11R1.80 O=[N+]([O-])CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000761209 [0,0,0,1,0,0|1,0,1]=3 578 B11R1.80 O[C@@H]1CN(C[C@@H]1O)CC(F)F 2230a_100015207562_100011934356 [0,0,0,1,0,0|2,0,1]=4 579 B11R1.80 O[C@@H]1CN(C[C@@H]1O)CC(F)F 269982a_100015207562_100011934356 [0,0,0,1,0,0|2,0,1]=4 580 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,1,0,0|3,0,0]=4 581 B11R1.110 CCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210303 [0,0,0,1,0,0|2,0,1]=4 582 B11R1.110 CCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210303 [0,0,0,1,0,0|2,0,1]=4 583 B11R1.110 O=C1CN(CCCN1)CCF 2230a_100015190381_100011217306 [0,0,0,1,0,0|3,0,0]=4 584 B11R1.110 O=C1CN(CCCN1)CCO 2230a_100015190381_100000211926 [0,0,0,1,0,0|2,0,0]=3 585 B11R1.110 OCCN1CCCCC(C1)O 2230a_100025706797_100000211926 [0,0,0,1,0,0|2,0,1]=4 586 B11R1.110 OCCN1CCCCC(C1)O 269982a_100025706797_100000211926 [0,0,0,1,0,0|2,0,1]=4 587 B11R1.110 OCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000211926 [0,0,0,1,0,0|1,0,1]=3 588 B11R1.110 OCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000211926 [0,0,0,1,0,0|1,0,1]=3 589 B11R1.110 O[C@H]1COCCN(C1)CCF 2230a_100016073750_100011217306 [0,0,0,1,0,0|2,0,1]=4 590 B11R1.110 O[C@H]1COCCN(C1)CCF 269982a_100016073750_100011217306 [0,0,0,1,0,0|2,0,1]=4 591 B11R1.157 C=C(C)CN1CCCC(C1)O 2230a_100000211013_100000748629 [0,0,0,1,0,0|3,0,0]=4 592 B11R1.157 C=C(C)CN1CCCC(C1)O 269982a_100000211013_100000748629 [0,0,0,1,0,0|3,0,0]=4 593 B11R1.157 C=C(C)CN1CCOC(C1)C 2230a_100000729577_100000748629 [0,0,0,1,0,0|3,0,0]=4 594 B11R1.157 C=C(C)CN1CCOC(C1)C 269982a_100000729577_100000748629 [0,0,0,1,0,0|3,0,0]=4 595 B11R1.157 C=C(C)CN1CCOC(C1)C 34a_100000729577_100000748629 [0,0,0,1,0,0|3,0,0]=4 596 B11R1.157 C=C(C)CN1CCOC(C1)O 2230a_100000688207_100000748629 [0,0,0,1,0,0|2,0,0]=3 597 B11R1.157 C=C(C)CN1CCOC(C1)O 269982a_100000688207_100000748629 [0,0,0,1,0,0|2,0,0]=3 598 B11R1.157 C=C(F)CN1CCCC(C1)O 2230a_100000211013_100009893438 [0,0,0,1,0,0|3,0,0]=4 599 B11R1.157 C=C(F)CN1CCCC(C1)O 269982a_100000211013_100009893438 [0,0,0,1,0,0|3,0,0]=4 600 B11R1.157 C=C(F)CN1CCOC(C1)C 2230a_100000729577_100009893438 [0,0,0,1,0,0|3,0,0]=4 601 B11R1.157 C=C(F)CN1CCOC(C1)C 269982a_100000729577_100009893438 [0,0,0,1,0,0|3,0,0]=4 602 B11R1.157 C=C(F)CN1CCOC(C1)C 34a_100000729577_100009893438 [0,0,0,1,0,0|3,0,0]=4 603 B11R1.157 C=C(F)CN1CCOC(C1)O 2230a_100000688207_100009893438 [0,0,0,1,0,0|2,0,0]=3 604 B11R1.157 C=C(F)CN1CCOC(C1)O 269982a_100000688207_100009893438 [0,0,0,1,0,0|2,0,0]=3 605 B11R1.157 CC(C)CN1CCOC(C1)O 2230a_100000688207_100000210760 [0,0,0,1,0,0|2,0,1]=4 606 B11R1.157 CC(C)CN1CCOC(C1)O 269982a_100000688207_100000210624 [0,0,0,1,0,0|2,0,1]=4 607 B11R1.157 CC(C)CN1CCOC(C1)O 270004a_100000688207_100000210432 [0,0,0,1,0,0|2,0,1]=4 608 B11R1.157 CC(O)CN1CCCC(C1)O 2230a_100000211013_100011218427 [0,0,0,1,0,0|2,0,1]=4 609 B11R1.157 CC(O)CN1CCCC(C1)O 269982a_100000211013_100011218427 [0,0,0,1,0,0|2,0,1]=4 610 B11R1.157 CC(O)CN1CCOC(C1)C 2230a_100000729577_100011218427 [0,0,0,1,0,0|2,0,1]=4 611 B11R1.157 CC(O)CN1CCOC(C1)C 269982a_100000729577_100011218427 [0,0,0,1,0,0|2,0,1]=4 612 B11R1.157 CC(O)CN1CCOC(C1)C 34a_100000729577_100011218427 [0,0,0,1,0,0|2,0,1]=4 613 B11R1.157 CC(O)CN1CCOC(C1)O 2230a_100000688207_100011218427 [0,0,0,1,0,0|1,0,1]=3 614 B11R1.157 CC(O)CN1CCOC(C1)O 269982a_100000688207_100011218427 [0,0,0,1,0,0|1,0,1]=3 615 B11R1.157 CC1CN(CCO1)CC(=O)N 2230a_100000729577_100000747473 [0,0,0,1,0,0|2,0,0]=3 616 B11R1.157 CC1CN(CCO1)CC(=O)N 269982a_100000729577_100000187820 [0,0,0,1,0,0|2,0,0]=3 617 B11R1.157 CC1CN(CCO1)CC(=O)N 34a_100000729577_100000187820 [0,0,0,1,0,0|2,0,0]=3 618 B11R1.157 CC1CN(CCO1)CC(=O)[O-] 269982a_100000729577_100020667443 [0,0,0,1,0,0|1,0,1]=3 619 B11R1.157 CC1CN(CCO1)CC(=O)[O-] 34a_100000729577_100020667443 [0,0,0,1,0,0|1,0,1]=3 620 B11R1.157 CC1CN(CCO1)C[C@@H](C)O 2230a_100000729577_100009817552 [0,0,0,1,0,0|2,0,1]=4 621 B11R1.157 CC1CN(CCO1)C[C@@H](C)O 269982a_100000729577_100009817552 [0,0,0,1,0,0|2,0,1]=4 622 B11R1.157 CC1CN(CCO1)C[C@@H](C)O 34a_100000729577_100009817552 [0,0,0,1,0,0|2,0,1]=4 623 B11R1.157 CC1CN(CCO1)C[N+](=O)[O-] 269982a_100000729577_100000761209 [0,0,0,1,0,0|2,0,1]=4 624 B11R1.157 CC1CN(CCO1)C[N+](=O)[O-] 34a_100000729577_100000761209 [0,0,0,1,0,0|2,0,1]=4 625 B11R1.157 C[C@@H](O)CN1CCCC(C1)O 2230a_100000211013_100009817552 [0,0,0,1,0,0|2,0,1]=4 626 B11R1.157 C[C@@H](O)CN1CCCC(C1)O 269982a_100000211013_100009817552 [0,0,0,1,0,0|2,0,1]=4 627 B11R1.157 C[C@@H](O)CN1CCOC(C1)O 2230a_100000688207_100009817552 [0,0,0,1,0,0|1,0,1]=3 628 B11R1.157 C[C@@H](O)CN1CCOC(C1)O 269982a_100000688207_100009817552 [0,0,0,1,0,0|1,0,1]=3 629 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,0,0,1,0,0|3,0,0]=4 630 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,0,0,1,0,0|3,0,0]=4 631 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,0,0,1,0,0|3,0,0]=4 632 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,0,0,1,0,0|2,0,1]=4 633 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,0,0,1,0,0|2,0,1]=4 634 B11R1.157 NC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747473 [0,0,0,1,0,0|3,0,0]=4 635 B11R1.157 NC(=O)CN1CCCC(C1)F 269982a_100000697950_100000187820 [0,0,0,1,0,0|3,0,0]=4 636 B11R1.157 NC(=O)CN1CCCC(C1)F 34a_100000697950_100000187820 [0,0,0,1,0,0|3,0,0]=4 637 B11R1.157 NC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747473 [0,0,0,1,0,0|2,0,0]=3 638 B11R1.157 NC(=O)CN1CCCC(C1)O 269982a_100000211013_100000187820 [0,0,0,1,0,0|2,0,0]=3 639 B11R1.157 NC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747473 [0,0,0,1,0,0|1,0,2]=4 640 B11R1.157 NC(=O)CN1CCOC(C1)O 2230a_100000688207_100000747473 [0,0,0,1,0,0|1,0,0]=2 641 B11R1.157 NC(=O)CN1CCOC(C1)O 269982a_100000688207_100000187820 [0,0,0,1,0,0|1,0,0]=2 642 B11R1.157 O=C([O-])CN1CCCC(C1)F 269982a_100000697950_100020667443 [0,0,0,1,0,0|2,0,1]=4 643 B11R1.157 O=C([O-])CN1CCCC(C1)F 34a_100000697950_100020667443 [0,0,0,1,0,0|2,0,1]=4 644 B11R1.157 O=C([O-])CN1CCCC(C1)O 269982a_100000211013_100020667443 [0,0,0,1,0,0|1,0,1]=3 645 B11R1.157 O=C([O-])CN1CCOC(C1)O 269982a_100000688207_100020667443 [0,0,0,1,0,0|0,0,1]=2 646 B11R1.157 O=[N+]([O-])CN1CCCC(C1)O 269982a_100000211013_100000761209 [0,0,0,1,0,0|2,0,1]=4 647 B11R1.157 O=[N+]([O-])CN1CCOC(C1)O 269982a_100000688207_100000761209 [0,0,0,1,0,0|1,0,1]=3 648 B11R1.157 OC1CN(CCO1)CC(F)F 2230a_100000688207_100011934356 [0,0,0,1,0,0|2,0,1]=4 649 B11R1.157 OC1CN(CCO1)CC(F)F 269982a_100000688207_100011934356 [0,0,0,1,0,0|2,0,1]=4 650 B11R1.183 CCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210303 [0,0,0,1,0,0|2,0,1]=4 651 B11R1.183 CCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210303 [0,0,0,1,0,0|2,0,1]=4 652 B11R1.183 OCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000211926 [0,0,0,1,0,0|1,0,1]=3 653 B11R1.183 OCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000211926 [0,0,0,1,0,0|1,0,1]=3 654 B11R1.183 OCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000211926 [0,0,0,1,0,0|2,0,1]=4 655 B11R1.183 OCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000211926 [0,0,0,1,0,0|2,0,1]=4 656 B11R1.183 OCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000211926 [0,0,0,1,0,0|2,0,1]=4 657 B11R1.183 OC[C@@H]1C[C@H](CN1CCF)O 2230a_100000707816_100011217306 [0,0,0,1,0,0|2,0,1]=4 658 B11R1.183 OC[C@@H]1C[C@H](CN1CCF)O 269982a_100000707816_100011217306 [0,0,0,1,0,0|2,0,1]=4 659 B11R1.193 C#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000184674 [0,0,0,1,0,0|2,0,1]=4 660 B11R1.193 C#CCN1CCSC1C(=O)O 269956a_100000035718_100000184674 [0,0,0,1,0,0|1,1,1]=4 661 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [0,0,0,1,0,0|2,0,1]=4 662 B11R1.193 C=CCN1CCSC1C(=O)O 269956a_100000035718_100000210623 [0,0,0,1,0,0|1,1,1]=4 663 B11R1.193 CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210207 [0,0,0,1,0,0|2,0,1]=4 664 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,0,0,1,0,0|3,0,0]=4 665 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,0,0,1,0,0|2,0,0]=3 666 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [0,0,0,1,0,0|1,1,0]=3 667 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [0,0,0,1,0,0|3,0,0]=4 668 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [0,0,0,1,0,0|3,0,0]=4 669 B11R1.193 COCN1CCSC1C(=O)O 269956a_100000035718_100000766300 [0,0,0,1,0,0|2,1,0]=4 670 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [0,0,0,1,0,0|3,0,0]=4 671 B11R1.193 CSCN1CCSC1C(=O)O 269956a_100000035718_100011218213 [0,0,0,1,0,0|2,1,0]=4 672 B11R1.193 N#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215382 [0,0,0,1,0,0|2,0,1]=4 673 B11R1.193 N#CCN1CCSC1C(=O)O 269956a_100000035718_100011215382 [0,0,0,1,0,0|1,1,1]=4 674 B11R1.193 NC(=O)[C@@H]1CCCN1CCF 2230a_100000003125_100011217306 [0,0,0,1,0,0|3,0,0]=4 675 B11R1.193 NC(=O)[C@@H]1CCCN1CCO 2230a_100000003125_100000211926 [0,0,0,1,0,0|2,0,0]=3 676 B11R1.193 O=C(O)C1SCCN1CCF 269956a_100000035718_100011217306 [0,0,0,1,0,0|1,1,0]=3 677 B11R1.193 O=C(O)C1SCCN1CCO 269956a_100000035718_100000211926 [0,0,0,1,0,0|0,1,0]=2 678 B11R1.193 O=C(O)[C@@H]1C=CCN1CCF 269956a_100000057196_100011217306 [0,0,0,1,0,0|2,0,1]=4 679 B11R1.193 O=C(O)[C@@H]1C=CCN1CCO 269956a_100000057196_100000211926 [0,0,0,1,0,0|1,0,1]=3 680 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [0,0,0,1,0,0|2,0,0]=3 681 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [0,0,0,1,0,0|1,0,0]=2 682 B11R1.193 O=C(O)[C@@H]1CSCN1CCF 269956a_100000743924_100011217306 [0,0,0,1,0,0|3,0,0]=4 683 B11R1.193 O=C(O)[C@@H]1CSCN1CCO 269956a_100000743924_100000211926 [0,0,0,1,0,0|2,0,0]=3 684 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [0,0,0,1,0,0|1,0,2]=4 685 B11R1.193 O=CCN1CCSC1C(=O)O 269956a_100000035718_200015260668 [0,0,0,1,0,0|0,1,2]=4 686 B11R1.342 CC1(CCCN(C1)CCO)O 2230a_100000695535_100000211926 [0,0,0,1,0,0|2,0,1]=4 687 B11R1.342 CC1(CCCN(C1)CCO)O 269982a_100000695535_100000211926 [0,0,0,1,0,0|2,0,1]=4 688 B11R1.342 CC1(CN(CCO1)CCO)C 2230a_100000738910_100000211926 [0,0,0,1,0,0|2,0,1]=4 689 B11R1.342 CC1(CN(CCO1)CCO)C 269982a_100000738910_100000211926 [0,0,0,1,0,0|2,0,1]=4 690 B11R1.342 CC1(CN(CCO1)CCO)C 34a_100000738910_100000211926 [0,0,0,1,0,0|2,0,1]=4 691 B11R1.742 C=C(C)CN1CCCOCC1 2230a_100000685342_100000748629 [0,0,0,1,0,0|3,0,0]=4 692 B11R1.742 C=C(C)CN1CCCOCC1 269982a_100000685342_100000748629 [0,0,0,1,0,0|3,0,0]=4 693 B11R1.742 C=C(C)CN1CCCOCC1 34a_100000685342_100000748629 [0,0,0,1,0,0|3,0,0]=4 694 B11R1.742 C=C(F)CN1CCCOCC1 2230a_100000685342_100009893438 [0,0,0,1,0,0|3,0,0]=4 695 B11R1.742 C=C(F)CN1CCCOCC1 269982a_100000685342_100009893438 [0,0,0,1,0,0|3,0,0]=4 696 B11R1.742 C=C(F)CN1CCCOCC1 34a_100000685342_100009893438 [0,0,0,1,0,0|3,0,0]=4 697 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,0,1,0,0|3,0,0]=4 698 B11R1.742 CC(O)CN1CCCOCC1 2230a_100000685342_100011218427 [0,0,0,1,0,0|2,0,1]=4 699 B11R1.742 CC(O)CN1CCCOCC1 269982a_100000685342_100011218427 [0,0,0,1,0,0|2,0,1]=4 700 B11R1.742 CC(O)CN1CCCOCC1 34a_100000685342_100011218427 [0,0,0,1,0,0|2,0,1]=4 701 B11R1.742 C[C@@H](O)CN1CCCOCC1 2230a_100000685342_100009817552 [0,0,0,1,0,0|2,0,1]=4 702 B11R1.742 C[C@@H](O)CN1CCCOCC1 269982a_100000685342_100009817552 [0,0,0,1,0,0|2,0,1]=4 703 B11R1.742 C[C@@H](O)CN1CCCOCC1 34a_100000685342_100009817552 [0,0,0,1,0,0|2,0,1]=4 704 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,0,1,0,0|3,0,0]=4 705 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,0,1,0,0|3,0,0]=4 706 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,0,1,0,0|3,0,0]=4 707 B11R1.742 NC(=O)CN1CCCOCC1 2230a_100000685342_100000747473 [0,0,0,1,0,0|2,0,0]=3 708 B11R1.742 NC(=O)CN1CCCOCC1 269982a_100000685342_100000187820 [0,0,0,1,0,0|2,0,0]=3 709 B11R1.742 NC(=O)CN1CCCOCC1 34a_100000685342_100000187820 [0,0,0,1,0,0|2,0,0]=3 710 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,0,1,0,0|2,0,1]=4 711 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,0,1,0,0|2,0,1]=4 712 B11R1.742 O=C([O-])CN1CCCOCC1 269982a_100000685342_100020667443 [0,0,0,1,0,0|1,0,1]=3 713 B11R1.742 O=C([O-])CN1CCCOCC1 34a_100000685342_100020667443 [0,0,0,1,0,0|1,0,1]=3 714 B11R1.742 O=[N+]([O-])CN1CCCOCC1 269982a_100000685342_100000761209 [0,0,0,1,0,0|2,0,1]=4 715 B11R1.742 O=[N+]([O-])CN1CCCOCC1 34a_100000685342_100000761209 [0,0,0,1,0,0|2,0,1]=4 716 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,0,1,0,0|3,0,0]=4 717 B11R1.799 CCCN(CCO)CC1CO1 2230a_100000211420_100011216344 [0,0,0,1,0,0|2,0,1]=4 718 B11R1.799 CCCN(CCO)CC1CO1 269982a_100000211420_102125554688 [0,0,0,1,0,0|2,0,1]=4 719 B11R1.799 CCCN(CCO)C[C@@H]1CO1 269982a_100000211420_100000745022 [0,0,0,1,0,0|2,0,1]=4 720 B11R1.799 OCCN(CCO)CC1CC1 2230a_100000210587_100000742324 [0,0,0,1,0,0|2,0,1]=4 721 B11R1.799 OCCN(CCO)CC1CC1 269982a_100000210587_100000756562 [0,0,0,1,0,0|2,0,1]=4 722 B11R1.799 OCCN(CCO)CC1CO1 2230a_100000210587_100011216344 [0,0,0,1,0,0|1,0,1]=3 723 B11R1.799 OCCN(CCO)CC1CO1 269982a_100000210587_102125554688 [0,0,0,1,0,0|1,0,1]=3 724 B11R1.799 OCCN(CCO)CC1CS1 269982a_100000210587_100000031435 [0,0,0,1,0,0|1,1,1]=4 725 B11R1.799 OCCN(CCO)C[C@@H]1CO1 269982a_100000210587_100000745022 [0,0,0,1,0,0|1,0,1]=3 726 B11R1.804 C#CCN(CC(=O)O)C1CC1 269956a_100011236498_100000211595 [0,0,0,1,0,0|2,0,1]=4 727 B11R1.804 C=C(C)CN(CCO)C1CC1 2230a_100000738766_100000748629 [0,0,0,1,0,0|3,0,0]=4 728 B11R1.804 C=C(C)CN(CCO)C1CC1 269982a_100000738766_100000748629 [0,0,0,1,0,0|3,0,0]=4 729 B11R1.804 C=C(C)CN(CCO)C1CC1 34a_100000738766_100000748629 [0,0,0,1,0,0|3,0,0]=4 730 B11R1.804 C=C(F)CN(CCO)C1CC1 2230a_100000738766_100009893438 [0,0,0,1,0,0|3,0,0]=4 731 B11R1.804 C=C(F)CN(CCO)C1CC1 269982a_100000738766_100009893438 [0,0,0,1,0,0|3,0,0]=4 732 B11R1.804 C=C(F)CN(CCO)C1CC1 34a_100000738766_100009893438 [0,0,0,1,0,0|3,0,0]=4 733 B11R1.804 C=CCN(CC(=O)O)C1CC1 269956a_100000744315_100000211595 [0,0,0,1,0,0|2,0,1]=4 734 B11R1.804 CC(O)CN(CCO)C1CC1 2230a_100000738766_100011218427 [0,0,0,1,0,0|2,0,1]=4 735 B11R1.804 CC(O)CN(CCO)C1CC1 269982a_100000731851_100000211595 [0,0,0,1,0,0|2,0,1]=4 736 B11R1.804 CC(O)CN(CCO)C1CC1 269982a_100000738766_100011218427 [0,0,0,1,0,0|2,0,1]=4 737 B11R1.804 CC(O)CN(CCO)C1CC1 34a_100000738766_100011218427 [0,0,0,1,0,0|2,0,1]=4 738 B11R1.804 CCCN(CC(=O)N)C1CC1 2230a_100000765834_100000747473 [0,0,0,1,0,0|3,0,0]=4 739 B11R1.804 CCCN(CC(=O)N)C1CC1 269982a_100000765834_100000187820 [0,0,0,1,0,0|3,0,0]=4 740 B11R1.804 CCCN(CC(=O)[O-])C1CC1 269982a_100000765834_100020667443 [0,0,0,1,0,0|2,0,1]=4 741 B11R1.804 C[C@@H](O)CN(CCO)C1CC1 2230a_100000738766_100009817552 [0,0,0,1,0,0|2,0,1]=4 742 B11R1.804 C[C@@H](O)CN(CCO)C1CC1 269982a_100000738766_100009817552 [0,0,0,1,0,0|2,0,1]=4 743 B11R1.804 C[C@@H](O)CN(CCO)C1CC1 34a_100000738766_100009817552 [0,0,0,1,0,0|2,0,1]=4 744 B11R1.804 NC(=O)CN(CCO)C1CC1 2230a_100000738766_100000747473 [0,0,0,1,0,0|2,0,0]=3 745 B11R1.804 NC(=O)CN(CCO)C1CC1 269982a_100000738766_100000187820 [0,0,0,1,0,0|2,0,0]=3 746 B11R1.804 NC(=O)CN(CCO)C1CC1 34a_100000738766_100000187820 [0,0,0,1,0,0|2,0,0]=3 747 B11R1.804 O=C(O)CN(CCO)C1CC1 269956a_100000747938_100000211595 [0,0,0,1,0,0|1,0,0]=2 748 B11R1.804 O=C([O-])CN(CCO)C1CC1 269982a_100000738766_100020667443 [0,0,0,1,0,0|1,0,1]=3 749 B11R1.804 O=C([O-])CN(CCO)C1CC1 34a_100000738766_100020667443 [0,0,0,1,0,0|1,0,1]=3 750 B11R1.804 O=[N+]([O-])CN(CCO)C1CC1 269982a_100000738766_100000761209 [0,0,0,1,0,0|2,0,1]=4 751 B11R1.804 O=[N+]([O-])CN(CCO)C1CC1 34a_100000738766_100000761209 [0,0,0,1,0,0|2,0,1]=4 752 B9R0.15 CC(=O)N(CCO)CCO 240690a_100000210587_100015343762 [0,0,0,0,1,0|1,0,0]=2 753 B9R0.15 CC(C)N(CCO)CCO 2230a_100000210587_100000210206 [0,0,0,0,1,0|2,0,1]=4 754 B9R0.15 CC(C)N(CCO)CCO 2230a_100000224655_100000211926 [0,0,0,0,1,0|2,0,1]=4 755 B9R0.15 CC(C)N(CCO)CCO 269982a_100000210587_100000210206 [0,0,0,0,1,0|2,0,1]=4 756 B9R0.15 CC(C)N(CCO)CCO 269982a_100000224655_100000211926 [0,0,0,0,1,0|2,0,1]=4 757 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,0,0,0,1,0|3,0,0]=4 758 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,0,0,0,1,0|3,0,0]=4 759 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,0,0,0,1,0|3,0,0]=4 760 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,0,0,0,1,0|3,0,0]=4 761 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [0,0,0,0,1,0|2,0,0]=3 762 B11R0.280 C=C(C)CCN(CCC)CCO 2230a_100000211420_100000730704 [0,0,0,0,0,1|3,0,0]=4 763 B11R0.280 C=C(C)CCN(CCC)CCO 269982a_100000211420_100000730704 [0,0,0,0,0,1|3,0,0]=4 764 B11R0.280 C=C(C)CCN(CCO)CCO 2230a_100000210587_100000730704 [0,0,0,0,0,1|2,0,0]=3 765 B11R0.280 C=C(C)CCN(CCO)CCO 269982a_100000210587_100000730704 [0,0,0,0,0,1|2,0,0]=3 766 B11R0.280 CC(=CCN(CCO)CCO)C 2230a_100000210587_100000761012 [0,0,0,0,0,1|2,0,0]=3 767 B11R0.280 CC(=CCN(CCO)CCO)C 269982a_100000210587_100000761012 [0,0,0,0,0,1|2,0,0]=3 768 B11R0.280 CC(=O)CCN(CCO)CCO 269982a_100000210587_100000053229 [0,0,0,0,0,1|1,0,0]=2 769 B11R0.280 CC(=O)OCN(CCO)CCO 269982a_100000210587_100000076356 [0,0,0,0,0,1|1,0,0]=2 770 B11R0.280 CC(C)CCN(CCO)CCO 2230a_100000210587_100000210312 [0,0,0,0,0,1|2,0,1]=4 771 B11R0.280 CC(C)CCN(CCO)CCO 269982a_100000210587_100000210312 [0,0,0,0,0,1|2,0,1]=4 772 B11R0.280 CC(C)OCN(CCO)CCO 2230a_100000210587_100000709892 [0,0,0,0,0,1|2,0,1]=4 773 B11R0.280 CC(C)OCN(CCO)CCO 269982a_100000210587_100000709892 [0,0,0,0,0,1|2,0,1]=4 774 B11R0.280 CC(O)CCN(CCO)CCO 2230a_100000210587_100012276601 [0,0,0,0,0,1|1,0,1]=3 775 B11R0.280 CC(O)CCN(CCO)CCO 269982a_100000210587_100012276601 [0,0,0,0,0,1|1,0,1]=3 776 B11R0.280 CCCC(CCC)NCC(=O)O 269956a_100016091260_200011218217 [0,0,0,0,0,1|3,0,0]=4 777 B11R0.280 CCCN(CC=C(C)C)CCO 2230a_100000211420_100000761012 [0,0,0,0,0,1|3,0,0]=4 778 B11R0.280 CCCN(CC=C(C)C)CCO 269982a_100000211420_100000761012 [0,0,0,0,0,1|3,0,0]=4 779 B11R0.280 CCCN(CCC)CCC(=O)C 269982a_100000210455_100000053229 [0,0,0,0,0,1|3,0,0]=4 780 B11R0.280 CCCN(CCC)CCC(=O)N 2230a_100000210455_100000744528 [0,0,0,0,0,1|3,0,0]=4 781 B11R0.280 CCCN(CCC)CCC(=O)N 269982a_100000210455_100000744528 [0,0,0,0,0,1|3,0,0]=4 782 B11R0.280 CCCN(CCC)COC(=O)C 269982a_100000210455_100000076356 [0,0,0,0,0,1|3,0,0]=4 783 B11R0.280 CCCN(CCO)CCC(=O)C 269982a_100000211420_100000053229 [0,0,0,0,0,1|2,0,0]=3 784 B11R0.280 CCCN(CCO)CCC(=O)N 2230a_100000211420_100000744528 [0,0,0,0,0,1|2,0,0]=3 785 B11R0.280 CCCN(CCO)CCC(=O)N 269982a_100000211420_100000744528 [0,0,0,0,0,1|2,0,0]=3 786 B11R0.280 CCCN(CCO)CCC(C)O 2230a_100000211420_100012276601 [0,0,0,0,0,1|2,0,1]=4 787 B11R0.280 CCCN(CCO)CCC(C)O 269982a_100000211420_100012276601 [0,0,0,0,0,1|2,0,1]=4 788 B11R0.280 CCCN(CCO)COC(=O)C 269982a_100000211420_100000076356 [0,0,0,0,0,1|2,0,0]=3 789 B11R0.280 CCC[C@@H](CCO)NCC(=O)N 2230a_100015193777_100000747473 [0,0,0,0,0,1|3,0,0]=4 790 B11R0.280 CCC[C@@H](CCO)NCC(=O)N 34a_100015193777_100000187820 [0,0,0,0,0,1|3,0,0]=4 791 B11R0.280 CCC[C@@H](CCO)NCC(=O)[O-] 34a_100015193777_100020667443 [0,0,0,0,0,1|2,0,1]=4 792 B11R0.280 CN(C)CCN(CCO)CCO 269982a_100000210587_100000755713 [0,0,0,0,0,1|3,0,0]=4 793 B11R0.280 NC(=O)CCN(CCO)CCO 2230a_100000210587_100000744528 [0,0,0,0,0,1|1,0,0]=2 794 B11R0.280 NC(=O)CCN(CCO)CCO 269982a_100000210587_100000744528 [0,0,0,0,0,1|1,0,0]=2 795 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [2,0,0,0,0,0|1,0,1]=4 796 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [2,0,0,0,0,0|1,0,1]=4 797 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [2,0,0,0,0,0|1,0,1]=4 798 B8R0.5 C=C(C)CN(C)CCO 2230a_100000210263_100000748629 [2,0,0,0,0,0|2,0,0]=4 799 B8R0.5 C=C(C)CN(C)CCO 2230a_100000225649_100000211926 [2,0,0,0,0,0|2,0,0]=4 800 B8R0.5 C=C(C)CN(C)CCO 269982a_100000210263_100000748629 [2,0,0,0,0,0|2,0,0]=4 801 B8R0.5 C=C(C)CN(C)CCO 269982a_100000225649_100000211926 [2,0,0,0,0,0|2,0,0]=4 802 B8R0.5 C=C(F)CN(C)CCO 2230a_100000210263_100009893438 [2,0,0,0,0,0|2,0,0]=4 803 B8R0.5 C=C(F)CN(C)CCO 269982a_100000210263_100009893438 [2,0,0,0,0,0|2,0,0]=4 804 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [2,0,0,0,0,0|1,0,1]=4 805 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [2,0,0,0,0,0|1,0,1]=4 806 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [2,0,0,0,0,0|1,0,1]=4 807 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [2,0,0,0,0,0|1,0,1]=4 808 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [2,0,0,0,0,0|1,0,1]=4 809 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [2,0,0,0,0,0|1,0,1]=4 810 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [2,0,0,0,0,0|1,0,1]=4 811 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [2,0,0,0,0,0|1,0,1]=4 812 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [2,0,0,0,0,0|1,0,1]=4 813 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [2,0,0,0,0,0|1,0,1]=4 814 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [2,0,0,0,0,0|1,0,1]=4 815 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [2,0,0,0,0,0|2,0,0]=4 816 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [2,0,0,0,0,0|2,0,0]=4 817 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [2,0,0,0,0,0|2,0,0]=4 818 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [2,0,0,0,0,0|1,0,0]=3 819 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [2,0,0,0,0,0|1,0,1]=4 820 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [2,0,0,0,0,0|1,0,1]=4 821 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [2,0,0,0,0,0|0,0,2]=4 822 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [2,0,0,0,0,0|2,0,0]=4 823 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [2,0,0,0,0,0|1,0,0]=3 824 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [2,0,0,0,0,0|1,0,0]=3 825 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [2,0,0,0,0,0|1,0,0]=3 826 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [2,0,0,0,0,0|1,0,0]=3 827 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [2,0,0,0,0,0|0,0,0]=2 828 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [2,0,0,0,0,0|0,0,0]=2 829 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [2,0,0,0,0,0|0,0,1]=3 830 B8R0.5 CN(CCO)C[N+](=O)[O-] 269982a_100000210263_100000761209 [2,0,0,0,0,0|1,0,1]=4 831 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [2,0,0,0,0,0|2,0,0]=4 832 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [2,0,0,0,0,0|2,0,0]=4 833 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [2,0,0,0,0,0|1,0,1]=4 834 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [2,0,0,0,0,0|1,0,1]=4 835 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [2,0,0,0,0,0|0,0,0]=2 836 B8R0.16 C=C(C)CN(CC)CC 2230a_100000211296_100000210202 [2,0,0,0,0,0|2,0,0]=4 837 B8R0.16 C=C(C)CN(CC)CC 2230a_100000724800_100000748629 [2,0,0,0,0,0|2,0,0]=4 838 B8R0.16 C=C(C)CN(CC)CC 269956a_100000042499_100000748629 [2,0,0,0,0,0|2,0,0]=4 839 B8R0.16 C=C(C)CN(CC)CC 269982a_100000211296_100000204670 [2,0,0,0,0,0|2,0,0]=4 840 B8R0.16 C=C(C)CN(CC)CC 269982a_100000724800_100000748629 [2,0,0,0,0,0|2,0,0]=4 841 B8R0.16 C=C(F)CN(CC)CC 2230a_100000724800_100009893438 [2,0,0,0,0,0|2,0,0]=4 842 B8R0.16 C=C(F)CN(CC)CC 269956a_100000042499_100000042424 [2,0,0,0,0,0|2,0,0]=4 843 B8R0.16 C=C(F)CN(CC)CC 269982a_100000724800_100009893438 [2,0,0,0,0,0|2,0,0]=4 844 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [2,0,0,0,0,0|2,0,0]=4 845 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [2,0,0,0,0,0|1,0,0]=3 846 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [2,0,0,0,0,0|1,0,0]=3 847 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [2,0,0,0,0,0|1,0,0]=3 848 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [2,0,0,0,0,0|1,0,0]=3 849 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [2,0,0,0,0,0|0,0,0]=2 850 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [2,0,0,0,0,0|1,0,0]=3 851 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [2,0,0,0,0,0|0,0,1]=3 852 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [2,0,0,0,0,0|0,0,1]=3 853 B8R0.16 CCN(CC)CC(C)O 2230a_100000724800_100011218427 [2,0,0,0,0,0|1,0,1]=4 854 B8R0.16 CCN(CC)CC(C)O 269956a_100000042499_100011218427 [2,0,0,0,0,0|1,0,1]=4 855 B8R0.16 CCN(CC)CC(C)O 269982a_100000724800_100011218427 [2,0,0,0,0,0|1,0,1]=4 856 B8R0.16 CCN(CC)C[C@@H](C)O 2230a_100000724800_100009817552 [2,0,0,0,0,0|1,0,1]=4 857 B8R0.16 CCN(CC)C[C@@H](C)O 269956a_100000042499_100009817552 [2,0,0,0,0,0|1,0,1]=4 858 B8R0.16 CCN(CC)C[C@@H](C)O 269982a_100000724800_100009817552 [2,0,0,0,0,0|1,0,1]=4 859 B8R0.16 CCN(CC)C[C@H](C)O 2230a_100000729506_100000210202 [2,0,0,0,0,0|1,0,1]=4 860 B8R0.16 CCN(CC)C[C@H](C)O 269982a_100000729506_100000204670 [2,0,0,0,0,0|1,0,1]=4 861 B8R0.16 CCN(CC)C[N+](=O)[O-] 269956a_100000042499_100000761209 [2,0,0,0,0,0|1,0,1]=4 862 B8R0.16 CCN(CC)C[N+](=O)[O-] 269982a_100000724800_100000761209 [2,0,0,0,0,0|1,0,1]=4 863 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [2,0,0,0,0,0|1,0,0]=3 864 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [2,0,0,0,0,0|0,0,1]=3 865 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [2,0,0,0,0,0|2,0,0]=4 866 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [2,0,0,0,0,0|2,0,0]=4 867 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [2,0,0,0,0,0|2,0,0]=4 868 B8R0.16 O=C([O-])CN(CO)CF 269956a_100016989150_100015361967 [2,0,0,0,0,0|1,0,1]=4 869 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [2,0,0,0,0,0|2,0,0]=4 870 B8R0.22 C#CCN(CC)CC=O 2230a_100000744766_200015260668 [2,0,0,0,0,0|1,0,1]=4 871 B8R0.22 C#CCN(CC)CC=O 269982a_100000744766_200015260668 [2,0,0,0,0,0|1,0,1]=4 872 B8R0.22 C#CCN(CC)CCO 2230a_100000210973_100000038162 [2,0,0,0,0,0|1,0,1]=4 873 B8R0.22 C#CCN(CC)CCO 2230a_100000744766_100000211926 [2,0,0,0,0,0|1,0,1]=4 874 B8R0.22 C#CCN(CC)CCO 269982a_100000744766_100000211926 [2,0,0,0,0,0|1,0,1]=4 875 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [2,0,0,0,0,0|2,0,0]=4 876 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [2,0,0,0,0,0|2,0,0]=4 877 B8R0.22 C=CCN(CC)CCO 2230a_100000210973_100000210623 [2,0,0,0,0,0|1,0,0]=3 878 B8R0.22 C=CCN(CC)CCO 269982a_100000210973_100000210623 [2,0,0,0,0,0|1,0,0]=3 879 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [2,0,0,0,0,0|1,0,0]=3 880 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [2,0,0,0,0,0|1,0,0]=3 881 B8R0.22 CCCN(CC)CCO 2230a_100000210973_100000210303 [2,0,0,0,0,0|1,0,1]=4 882 B8R0.22 CCCN(CC)CCO 2230a_100000211420_100000210202 [2,0,0,0,0,0|1,0,1]=4 883 B8R0.22 CCCN(CC)CCO 2230a_100000226822_100000211926 [2,0,0,0,0,0|1,0,1]=4 884 B8R0.22 CCCN(CC)CCO 269982a_100000210973_100000210303 [2,0,0,0,0,0|1,0,1]=4 885 B8R0.22 CCCN(CC)CCO 269982a_100000211420_100000204670 [2,0,0,0,0,0|1,0,1]=4 886 B8R0.22 CCCN(CC)CCO 269982a_100000226822_100000211926 [2,0,0,0,0,0|1,0,1]=4 887 B8R0.22 CCCN(CF)CCO 269982a_100000211420_100015361967 [2,0,0,0,0,0|2,0,0]=4 888 B8R0.22 CCN(CC#N)CCO 2230a_100000210973_100011215382 [2,0,0,0,0,0|1,0,1]=4 889 B8R0.22 CCN(CC#N)CCO 269982a_100000210973_100011214920 [2,0,0,0,0,0|1,0,1]=4 890 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [2,0,0,0,0,0|0,0,0]=2 891 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [2,0,0,0,0,0|0,0,0]=2 892 B8R0.22 CCN(CCO)CCF 2230a_100000210973_100011217306 [2,0,0,0,0,0|1,0,1]=4 893 B8R0.22 CCN(CCO)CCF 269982a_100000210973_100011217306 [2,0,0,0,0,0|1,0,1]=4 894 B8R0.22 CCN(CCO)CCO 2230a_100000210587_100000210202 [2,0,0,0,0,0|0,0,1]=3 895 B8R0.22 CCN(CCO)CCO 2230a_100000210973_100000211926 [2,0,0,0,0,0|0,0,1]=3 896 B8R0.22 CCN(CCO)CCO 269982a_100000210587_100000204670 [2,0,0,0,0,0|0,0,1]=3 897 B8R0.22 CCN(CCO)CCO 269982a_100000210973_100000211926 [2,0,0,0,0,0|0,0,1]=3 898 B8R0.22 CCN(CCO)COC 2230a_100000210973_100000766300 [2,0,0,0,0,0|2,0,0]=4 899 B8R0.22 CCN(CCO)COC 269982a_100000210973_100000766300 [2,0,0,0,0,0|2,0,0]=4 900 B8R0.22 CCN(CCO)CSC 2230a_100000210973_100011218213 [2,0,0,0,0,0|2,0,0]=4 901 B8R0.22 CCN(CCO)CSC 269982a_100000210973_100011218213 [2,0,0,0,0,0|2,0,0]=4 902 B8R0.22 OCCN(CF)CCO 269982a_100000210587_100015361967 [2,0,0,0,0,0|1,0,0]=3 903 B10R0.8 CCN(CCO)CC(C)(C)O 2230a_100000755687_100000211926 [1,1,0,0,0,0|1,0,1]=4 904 B10R0.8 CCN(CCO)CC(C)(C)O 269982a_100000755687_100000211926 [1,1,0,0,0,0|1,0,1]=4 905 B10R0.23 C#CCN(CC(=O)O)C(C)C 269956a_100011236498_100000210206 [1,1,0,0,0,0|1,0,1]=4 906 B10R0.23 C=C(C)CN(CCO)C(C)C 2230a_100000224655_100000748629 [1,1,0,0,0,0|2,0,0]=4 907 B10R0.23 C=C(C)CN(CCO)C(C)C 269982a_100000224655_100000748629 [1,1,0,0,0,0|2,0,0]=4 908 B10R0.23 C=C(F)CN(CCO)C(C)C 2230a_100000224655_100009893438 [1,1,0,0,0,0|2,0,0]=4 909 B10R0.23 C=C(F)CN(CCO)C(C)C 269982a_100000224655_100009893438 [1,1,0,0,0,0|2,0,0]=4 910 B10R0.23 C=CCN(CC(=O)O)C(C)C 269956a_100000744315_100000210206 [1,1,0,0,0,0|1,0,1]=4 911 B10R0.23 CC(C)N(CCO)CC(=O)N 2230a_100000224655_100000747473 [1,1,0,0,0,0|1,0,0]=3 912 B10R0.23 CC(C)N(CCO)CC(=O)N 269982a_100000224655_100000187820 [1,1,0,0,0,0|1,0,0]=3 913 B10R0.23 CC(C)N(CCO)CC(=O)O 269956a_100000747938_100000210206 [1,1,0,0,0,0|0,0,0]=2 914 B10R0.23 CC(C)N(CCO)CC(=O)[O-] 269982a_100000224655_100020667443 [1,1,0,0,0,0|0,0,1]=3 915 B10R0.23 CC(C)N(CCO)C[C@@H](C)O 2230a_100000224655_100009817552 [1,1,0,0,0,0|1,0,1]=4 916 B10R0.23 CC(C)N(CCO)C[C@@H](C)O 269982a_100000224655_100009817552 [1,1,0,0,0,0|1,0,1]=4 917 B10R0.23 CC(C)N(CCO)C[N+](=O)[O-] 269982a_100000224655_100000761209 [1,1,0,0,0,0|1,0,1]=4 918 B10R0.23 CC(O)CN(CCO)C(C)C 2230a_100000224655_100011218427 [1,1,0,0,0,0|1,0,1]=4 919 B10R0.23 CC(O)CN(CCO)C(C)C 2230a_100000731851_100000210206 [1,1,0,0,0,0|1,0,1]=4 920 B10R0.23 CC(O)CN(CCO)C(C)C 269982a_100000224655_100011218427 [1,1,0,0,0,0|1,0,1]=4 921 B10R0.23 CC(O)CN(CCO)C(C)C 269982a_100000731851_100000210206 [1,1,0,0,0,0|1,0,1]=4 922 B10R0.23 CCCN(CC(=O)N)C(C)C 2230a_106256033942_100000747473 [1,1,0,0,0,0|2,0,0]=4 923 B10R0.23 CCCN(CC(=O)N)C(C)C 269982a_106256033942_100000187820 [1,1,0,0,0,0|2,0,0]=4 924 B10R0.23 CCCN(CC(=O)[O-])C(C)C 269982a_106256033942_100020667443 [1,1,0,0,0,0|1,0,1]=4 925 B10R0.25 CC(C(=O)O)N(CF)CCO 269956a_100011300695_100015361967 [1,1,0,0,0,0|1,0,0]=3 926 B10R0.25 CCCN(CC)C(C)C(=O)C 2230a_100000226822_100009814033 [1,1,0,0,0,0|2,0,0]=4 927 B10R0.25 CCCN(CC)C(C)C(=O)C 269982a_100000226822_100009814033 [1,1,0,0,0,0|2,0,0]=4 928 B10R0.25 CCCN(CC)C(C)C(=O)N 2230a_100000226822_100000702099 [1,1,0,0,0,0|2,0,0]=4 929 B10R0.25 CCCN(CC)C(C)C(=O)N 2230a_100020603310_100000210303 [1,1,0,0,0,0|2,0,0]=4 930 B10R0.25 CCCN(CC)C(C)C(=O)N 269982a_100000226822_100000184083 [1,1,0,0,0,0|2,0,0]=4 931 B10R0.25 CCCN(CC)C(C)C(=O)N 269982a_100020603310_100000210303 [1,1,0,0,0,0|2,0,0]=4 932 B10R0.25 CCCN(CC)C(F)C(=O)N 2230a_100000226822_100009813875 [1,1,0,0,0,0|2,0,0]=4 933 B10R0.25 CCCN(CC)C(F)C(=O)N 269982a_100000226822_100009813875 [1,1,0,0,0,0|2,0,0]=4 934 B10R0.25 CCN(CCF)C(C)C(=O)N 2230a_100020603310_100011217306 [1,1,0,0,0,0|2,0,0]=4 935 B10R0.25 CCN(CCF)C(C)C(=O)N 269982a_100020603310_100011217306 [1,1,0,0,0,0|2,0,0]=4 936 B10R0.25 CCN(CCO)C(=O)C(=O)N 240690a_100000210973_100011215815 [1,1,0,0,0,0|1,0,1]=4 937 B10R0.25 CCN(CCO)C(C)C(=O)C 2230a_100000210973_100009814033 [1,1,0,0,0,0|1,0,0]=3 938 B10R0.25 CCN(CCO)C(C)C(=O)C 269982a_100000210973_100009814033 [1,1,0,0,0,0|1,0,0]=3 939 B10R0.25 CCN(CCO)C(C)C(=O)N 2230a_100000210973_100000702099 [1,1,0,0,0,0|1,0,0]=3 940 B10R0.25 CCN(CCO)C(C)C(=O)N 2230a_100020603310_100000211926 [1,1,0,0,0,0|1,0,0]=3 941 B10R0.25 CCN(CCO)C(C)C(=O)N 269982a_100000210973_100000184083 [1,1,0,0,0,0|1,0,0]=3 942 B10R0.25 CCN(CCO)C(C)C(=O)N 269982a_100020603310_100000211926 [1,1,0,0,0,0|1,0,0]=3 943 B10R0.25 CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210202 [1,1,0,0,0,0|0,0,0]=2 944 B10R0.25 CCN(CCO)C(F)C(=O)N 2230a_100000210973_100009813875 [1,1,0,0,0,0|1,0,0]=3 945 B10R0.25 CCN(CCO)C(F)C(=O)N 269982a_100000210973_100009813875 [1,1,0,0,0,0|1,0,0]=3 946 B10R0.29 C#CCN(CC)CC(=O)OC 2230a_100000744766_100000747449 [1,1,0,0,0,0|1,0,1]=4 947 B10R0.29 C#CCN(CC)CC(=O)OC 269982a_100000744766_100000747449 [1,1,0,0,0,0|1,0,1]=4 948 B10R0.29 C=C(C#N)CN(CC)CCO 2230a_100000210973_100000694840 [1,1,0,0,0,0|2,0,0]=4 949 B10R0.29 C=C(C#N)CN(CC)CCO 269982a_100000210973_100000694840 [1,1,0,0,0,0|2,0,0]=4 950 B10R0.29 C=CC(O)CN(CC)CCO 2230a_100000210973_100000730141 [1,1,0,0,0,0|1,0,1]=4 951 B10R0.29 CCC(=O)CN(CC)CCO 269982a_100000210973_100000747405 [1,1,0,0,0,0|1,0,0]=3 952 B10R0.29 CCC(O)CN(CC)CCO 2230a_100000210973_100011218378 [1,1,0,0,0,0|1,0,1]=4 953 B10R0.29 CCC(O)CN(CC)CCO 2230a_100011365200_100000211926 [1,1,0,0,0,0|1,0,1]=4 954 B10R0.29 CCC(O)CN(CC)CCO 269982a_100000210973_100011218378 [1,1,0,0,0,0|1,0,1]=4 955 B10R0.29 CCC(O)CN(CC)CCO 269982a_100011365200_100000211926 [1,1,0,0,0,0|1,0,1]=4 956 B10R0.29 CCCN(CC)CC(=O)CC 269982a_100000226822_100000747405 [1,1,0,0,0,0|2,0,0]=4 957 B10R0.29 CCCN(CC)CC(=O)NC 2230a_100000226822_100000183359 [1,1,0,0,0,0|2,0,0]=4 958 B10R0.29 CCCN(CC)CC(=O)NC 269982a_100000226822_100000183359 [1,1,0,0,0,0|2,0,0]=4 959 B10R0.29 CCCN(CC)CC(=O)OC 2230a_100000226822_100000747449 [1,1,0,0,0,0|1,0,0]=3 960 B10R0.29 CCCN(CC)CC(=O)OC 269982a_100000226822_100000747449 [1,1,0,0,0,0|1,0,0]=3 961 B10R0.29 CCN(CCO)CC(=O)NC 2230a_100000210973_100000183359 [1,1,0,0,0,0|1,0,0]=3 962 B10R0.29 CCN(CCO)CC(=O)NC 269982a_100000210973_100000183359 [1,1,0,0,0,0|1,0,0]=3 963 B10R0.29 CCN(CCO)CC(=O)OC 2230a_100000210973_100000747449 [1,1,0,0,0,0|0,0,0]=2 964 B10R0.29 CCN(CCO)CC(=O)OC 269982a_100000210973_100000747449 [1,1,0,0,0,0|0,0,0]=2 965 B10R0.29 CCN(CCO)CC(O)CO 2230a_100000210973_100011219619 [1,1,0,0,0,0|0,0,2]=4 966 B10R0.29 CCN(CCO)C[C@@H](C)CO 2230a_100000210973_100000059175 [1,1,0,0,0,0|1,0,1]=4 967 B10R0.29 CCN(CCO)C[C@@H](C)CO 269982a_100000210973_100000059175 [1,1,0,0,0,0|1,0,1]=4 968 B10R0.29 CCN(CCO)C[C@@H](O)CF 2230a_100000210973_100015614560 [1,1,0,0,0,0|1,0,1]=4 969 B10R0.29 CCN(CCO)C[C@@H](O)CO 2230a_100000210973_100009815848 [1,1,0,0,0,0|0,0,2]=4 970 B10R0.54 C#CC(C)N(CC)CC(=O)O 269956a_100000746405_200000035995 [1,1,0,0,0,0|1,0,1]=4 971 B10R0.54 C=C(C)CN(CC)C(C)CO 2230a_100000211296_100012180447 [1,1,0,0,0,0|2,0,0]=4 972 B10R0.54 C=C(C)CN(CC)C(C)CO 2230a_100000731049_100000748629 [1,1,0,0,0,0|2,0,0]=4 973 B10R0.54 C=C(C)CN(CC)C(C)CO 269982a_100000731049_100000748629 [1,1,0,0,0,0|2,0,0]=4 974 B10R0.54 C=C(C)CN(CC)[C@H](C)CO 269982a_100000211296_100016084084 [1,1,0,0,0,0|2,0,0]=4 975 B10R0.54 C=C(F)CN(CC)C(C)CO 2230a_100000731049_100009893438 [1,1,0,0,0,0|2,0,0]=4 976 B10R0.54 C=C(F)CN(CC)C(C)CO 269982a_100000731049_100009893438 [1,1,0,0,0,0|2,0,0]=4 977 B10R0.54 C=CC(C)N(CC)CC(=O)O 269956a_100000746405_100011215867 [1,1,0,0,0,0|1,0,1]=4 978 B10R0.54 CCC(C)N(CC)CC(=O)N 2230a_100000732650_100000747473 [1,1,0,0,0,0|2,0,0]=4 979 B10R0.54 CCC(C)N(CC)CC(=O)N 269982a_100000732650_100000187820 [1,1,0,0,0,0|2,0,0]=4 980 B10R0.54 CCC(C)N(CC)CC(=O)O 269956a_100000746405_100000758301 [1,1,0,0,0,0|1,0,0]=3 981 B10R0.54 CCC(C)N(CC)CC(=O)[O-] 269982a_100000732650_100020667443 [1,1,0,0,0,0|1,0,1]=4 982 B10R0.54 CCC(C)N(CO)CC(=O)[O-] 269956a_100016989150_100000758301 [1,1,0,0,0,0|1,0,1]=4 983 B10R0.54 CCN(CC(=O)N)C(C)CO 2230a_100000731049_100000747473 [1,1,0,0,0,0|1,0,0]=3 984 B10R0.54 CCN(CC(=O)N)C(C)CO 269982a_100000731049_100000187820 [1,1,0,0,0,0|1,0,0]=3 985 B10R0.54 CCN(CC(=O)O)C(C)C#N 269956a_100000746405_100000184139 [1,1,0,0,0,0|1,0,1]=4 986 B10R0.54 CCN(CC(=O)O)C(C)OC 269956a_100000746405_100009879195 [1,1,0,0,0,0|2,0,0]=4 987 B10R0.54 CCN(CC(=O)O)[C@H](C)CO 269956a_100000746405_100016084084 [1,1,0,0,0,0|0,0,0]=2 988 B10R0.54 CCN(CC(=O)[O-])C(C)CO 269982a_100000731049_100020667443 [1,1,0,0,0,0|0,0,1]=3 989 B10R0.54 CCN(CC(C)O)C(C)CO 2230a_100000731049_100011218427 [1,1,0,0,0,0|1,0,1]=4 990 B10R0.54 CCN(CC(C)O)C(C)CO 269982a_100000731049_100011218427 [1,1,0,0,0,0|1,0,1]=4 991 B10R0.54 CCN(C[C@@H](C)O)C(C)CO 2230a_100000731049_100009817552 [1,1,0,0,0,0|1,0,1]=4 992 B10R0.54 CCN(C[C@@H](C)O)C(C)CO 269982a_100000731049_100009817552 [1,1,0,0,0,0|1,0,1]=4 993 B10R0.54 CCN(C[C@H](C)O)C(C)CO 2230a_100000729506_100012180447 [1,1,0,0,0,0|1,0,1]=4 994 B10R0.54 CCN(C[C@H](C)O)[C@H](C)CO 269982a_100000729506_100016084084 [1,1,0,0,0,0|1,0,1]=4 995 B10R0.54 CCN(C[N+](=O)[O-])C(C)CO 269982a_100000731049_100000761209 [1,1,0,0,0,0|1,0,1]=4 996 B10R0.54 C[C@H](CO)N(CO)CC(=O)[O-] 269956a_100016989150_100016084084 [1,1,0,0,0,0|0,0,1]=3 997 B10R0.70 C=C(C)CN(CC)CC(=O)O 269956a_100000746405_100000748629 [1,1,0,0,0,0|1,0,1]=4 998 B10R0.70 C=C(C)CN(CC)CC(C)O 2230a_100000211296_100011218427 [1,1,0,0,0,0|2,0,0]=4 999 B10R0.70 C=C(C)CN(CC)CC(C)O 269982a_100000211296_100011218427 [1,1,0,0,0,0|2,0,0]=4 1000 B10R0.70 C=C(C)CN(CC)C[C@@H](C)O 2230a_100000211296_100009817552 [1,1,0,0,0,0|2,0,0]=4 1001 B10R0.70 C=C(C)CN(CC)C[C@@H](C)O 269982a_100000211296_100009817552 [1,1,0,0,0,0|2,0,0]=4 1002 B10R0.70 C=C(C)CN(CC)C[C@H](C)O 2230a_100000729506_100000748629 [1,1,0,0,0,0|2,0,0]=4 1003 B10R0.70 C=C(C)CN(CC)C[C@H](C)O 269982a_100000729506_100000748629 [1,1,0,0,0,0|2,0,0]=4 1004 B10R0.70 C=C(F)CN(CC)CC(=O)O 269956a_100000746405_100000042424 [1,1,0,0,0,0|1,0,1]=4 1005 B10R0.70 C=C(F)CN(CC)C[C@H](C)O 2230a_100000729506_100009893438 [1,1,0,0,0,0|2,0,0]=4 1006 B10R0.70 C=C(F)CN(CC)C[C@H](C)O 269982a_100000729506_100009893438 [1,1,0,0,0,0|2,0,0]=4 1007 B10R0.70 CC(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100000210760 [1,1,0,0,0,0|1,0,1]=4 1008 B10R0.70 CC(O)CN(CO)CC(=O)[O-] 269956a_100016989150_100011218427 [1,1,0,0,0,0|0,0,1]=3 1009 B10R0.70 CCN(CC(=O)N)CC(=O)O 269956a_100000746405_100000187820 [1,1,0,0,0,0|0,0,2]=4 1010 B10R0.70 CCN(CC(=O)N)CC(C)C 2230a_100000738554_100000747473 [1,1,0,0,0,0|2,0,0]=4 1011 B10R0.70 CCN(CC(=O)N)CC(C)C 269982a_100000738554_100000187820 [1,1,0,0,0,0|2,0,0]=4 1012 B10R0.70 CCN(CC(=O)N)C[C@H](C)O 2230a_100000729506_100000747473 [1,1,0,0,0,0|1,0,0]=3 1013 B10R0.70 CCN(CC(=O)N)C[C@H](C)O 269982a_100000729506_100000187820 [1,1,0,0,0,0|1,0,0]=3 1014 B10R0.70 CCN(CC(=O)O)CC(C)C 269956a_100000746405_100000210760 [1,1,0,0,0,0|1,0,0]=3 1015 B10R0.70 CCN(CC(=O)O)CC(C)O 269956a_100000746405_100011218427 [1,1,0,0,0,0|0,0,0]=2 1016 B10R0.70 CCN(CC(=O)O)CC(F)F 269956a_100000746405_100011934356 [1,1,0,0,0,0|1,0,0]=3 1017 B10R0.70 CCN(CC(=O)O)C[C@@H](C)O 269956a_100000746405_100009817552 [1,1,0,0,0,0|0,0,0]=2 1018 B10R0.70 CCN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746405_100000761209 [1,1,0,0,0,0|1,0,1]=4 1019 B10R0.70 CCN(CC(=O)[O-])CC(=O)O 269956a_100000746405_100020667443 [1,1,0,0,0,0|0,0,2]=4 1020 B10R0.70 CCN(CC(=O)[O-])CC(C)C 269982a_100000738554_100020667443 [1,1,0,0,0,0|1,0,1]=4 1021 B10R0.70 CCN(CC(=O)[O-])C[C@H](C)O 269982a_100000729506_100020667443 [1,1,0,0,0,0|0,0,1]=3 1022 B10R0.70 CCN(CC(C)O)CC(C)O 2230a_100011218400_100000210202 [1,1,0,0,0,0|1,0,1]=4 1023 B10R0.70 CCN(CC(C)O)CC(C)O 269982a_100011218400_100000204670 [1,1,0,0,0,0|1,0,1]=4 1024 B10R0.70 CCN(CC(C)O)C[C@H](C)O 2230a_100000729506_100011218427 [1,1,0,0,0,0|1,0,1]=4 1025 B10R0.70 CCN(CC(C)O)C[C@H](C)O 269982a_100000729506_100011218427 [1,1,0,0,0,0|1,0,1]=4 1026 B10R0.70 CCN(C[C@H](C)O)C[C@@H](C)O 2230a_100000729506_100009817552 [1,1,0,0,0,0|1,0,1]=4 1027 B10R0.70 CCN(C[C@H](C)O)C[C@@H](C)O 269982a_100000729506_100009817552 [1,1,0,0,0,0|1,0,1]=4 1028 B10R0.70 CCN(C[C@H](C)O)C[N+](=O)[O-] 269982a_100000729506_100000761209 [1,1,0,0,0,0|1,0,1]=4 1029 B10R0.70 C[C@@H](O)CN(CO)CC(=O)[O-] 269956a_100016989150_100009817552 [1,1,0,0,0,0|0,0,1]=3 1030 B10R0.70 O=C([O-])CN(CO)CC(F)F 269956a_100016989150_100011934356 [1,1,0,0,0,0|1,0,1]=4 1031 B10R0.87 C#CCCN(CC)CC(=O)O 269956a_100000746405_100000688953 [1,1,0,0,0,0|1,0,0]=3 1032 B10R0.87 C#CCCN(CO)CC(=O)[O-] 269956a_100016989150_100000688953 [1,1,0,0,0,0|1,0,1]=4 1033 B10R0.87 C/C=C/CN(CC)CC(=O)O 269956a_100000746405_100102629194 [1,1,0,0,0,0|1,0,1]=4 1034 B10R0.87 C=C(C)CN(CC)CCCO 2230a_100000211296_100000230001 [1,1,0,0,0,0|2,0,0]=4 1035 B10R0.87 C=C(C)CN(CC)CCCO 269982a_100000211296_100011215043 [1,1,0,0,0,0|2,0,0]=4 1036 B10R0.87 C=C(C)CN(CC)CCOC 2230a_100000211296_100011201679 [1,1,0,0,0,0|2,0,0]=4 1037 B10R0.87 C=C(C)CN(CC)CCOC 2230a_100000731262_100000748629 [1,1,0,0,0,0|2,0,0]=4 1038 B10R0.87 C=C(C)CN(CC)CCOC 269982a_100000211296_100000233755 [1,1,0,0,0,0|2,0,0]=4 1039 B10R0.87 C=C(C)CN(CC)CCOC 269982a_100000731262_100000748629 [1,1,0,0,0,0|2,0,0]=4 1040 B10R0.87 C=C(F)CN(CC)CCOC 2230a_100000731262_100009893438 [1,1,0,0,0,0|2,0,0]=4 1041 B10R0.87 C=C(F)CN(CC)CCOC 269982a_100000731262_100009893438 [1,1,0,0,0,0|2,0,0]=4 1042 B10R0.87 C=CCCN(CC)CC(=O)O 269956a_100000746405_100000754431 [1,1,0,0,0,0|1,0,0]=3 1043 B10R0.87 C=CCCN(CO)CC(=O)[O-] 269956a_100016989150_100000754431 [1,1,0,0,0,0|1,0,1]=4 1044 B10R0.87 CC#CCN(CC)CC(=O)O 269956a_100000746405_100000748600 [1,1,0,0,0,0|1,0,1]=4 1045 B10R0.87 CCCCN(CC)CC(=O)N 2230a_100000207695_100000747473 [1,1,0,0,0,0|2,0,0]=4 1046 B10R0.87 CCCCN(CC)CC(=O)N 269982a_100000207695_100000187820 [1,1,0,0,0,0|2,0,0]=4 1047 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [1,1,0,0,0,0|1,0,0]=3 1048 B10R0.87 CCCCN(CC)CC(=O)[O-] 269982a_100000207695_100020667443 [1,1,0,0,0,0|1,0,1]=4 1049 B10R0.87 CCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210211 [1,1,0,0,0,0|1,0,1]=4 1050 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [1,1,0,0,0,0|2,0,0]=4 1051 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [1,1,0,0,0,0|2,0,0]=4 1052 B10R0.87 CCN(CCC#N)CC(=O)N 2230a_100000226048_100000747473 [1,1,0,0,0,0|2,0,0]=4 1053 B10R0.87 CCN(CCC#N)CC(=O)O 269956a_100000746405_100011215226 [1,1,0,0,0,0|1,0,0]=3 1054 B10R0.87 CCN(CCC#N)CC(=O)O 269956a_100011218032_100000210202 [1,1,0,0,0,0|1,0,0]=3 1055 B10R0.87 CCN(CCCF)CC(=O)O 269956a_100000746405_100011934791 [1,1,0,0,0,0|1,0,0]=3 1056 B10R0.87 CCN(CCCO)CC(=O)O 269956a_100000746405_100011215043 [1,1,0,0,0,0|0,0,0]=2 1057 B10R0.87 CCN(CCCO)C[C@H](C)O 2230a_100000729506_100000230001 [1,1,0,0,0,0|1,0,1]=4 1058 B10R0.87 CCN(CCCO)C[C@H](C)O 269982a_100000729506_100011215043 [1,1,0,0,0,0|1,0,1]=4 1059 B10R0.87 CCN(CCOC)CC(=O)N 2230a_100000731262_100000747473 [1,1,0,0,0,0|1,0,0]=3 1060 B10R0.87 CCN(CCOC)CC(=O)N 269982a_100000731262_100000187820 [1,1,0,0,0,0|1,0,0]=3 1061 B10R0.87 CCN(CCOC)CC(=O)O 269956a_100000746405_100000233755 [1,1,0,0,0,0|0,0,0]=2 1062 B10R0.87 CCN(CCOC)CC(=O)[O-] 269982a_100000731262_100020667443 [1,1,0,0,0,0|0,0,1]=3 1063 B10R0.87 CCN(CCOC)CC(C)O 2230a_100000731262_100011218427 [1,1,0,0,0,0|1,0,1]=4 1064 B10R0.87 CCN(CCOC)CC(C)O 269982a_100000731262_100011218427 [1,1,0,0,0,0|1,0,1]=4 1065 B10R0.87 CCN(CCOC)C[C@@H](C)O 2230a_100000731262_100009817552 [1,1,0,0,0,0|1,0,1]=4 1066 B10R0.87 CCN(CCOC)C[C@@H](C)O 269982a_100000731262_100009817552 [1,1,0,0,0,0|1,0,1]=4 1067 B10R0.87 CCN(CCOC)C[C@H](C)O 2230a_100000729506_100011201679 [1,1,0,0,0,0|1,0,1]=4 1068 B10R0.87 CCN(CCOC)C[C@H](C)O 269982a_100000729506_100000233755 [1,1,0,0,0,0|1,0,1]=4 1069 B10R0.87 CCN(CCOC)C[N+](=O)[O-] 269982a_100000731262_100000761209 [1,1,0,0,0,0|1,0,1]=4 1070 B10R0.87 CCN(CCSC)CC(=O)O 269956a_100000746405_100000212216 [1,1,0,0,0,0|0,1,0]=3 1071 B10R0.87 CCN(CSC#N)CC(=O)O 269956a_100000746405_100000211825 [1,1,0,0,0,0|1,0,1]=4 1072 B10R0.87 CCOCN(CC)CC(=O)O 269956a_100000746405_100000739092 [1,1,0,0,0,0|1,0,0]=3 1073 B10R0.87 CCOCN(CO)CC(=O)[O-] 269956a_100016989150_100000739092 [1,1,0,0,0,0|1,0,1]=4 1074 B10R0.87 CC[C@H](CC(=O)O)NCCF 269956a_100016995926_100011217306 [1,1,0,0,0,0|2,0,0]=4 1075 B10R0.87 CC[C@H](CC(=O)O)NCCO 269956a_100016995926_100000211926 [1,1,0,0,0,0|1,0,0]=3 1076 B10R0.87 CC[C@H](CC(=O)O)NCOC 269956a_100016995926_100000766300 [1,1,0,0,0,0|2,0,0]=4 1077 B10R0.87 COCCN(CO)CC(=O)[O-] 269956a_100016989150_100000233755 [1,1,0,0,0,0|0,0,1]=3 1078 B10R0.87 COCN[C@H](CO)CC(=O)O 269956a_100009816507_100000766300 [1,1,0,0,0,0|2,0,0]=4 1079 B10R0.87 CSCCN(CO)CC(=O)[O-] 269956a_100016989150_100000212216 [1,1,0,0,0,0|0,1,1]=4 1080 B10R0.87 N#CCCN(CF)CC(=O)O 269956a_100011218032_100015361967 [1,1,0,0,0,0|2,0,0]=4 1081 B10R0.87 N#CCCN(CO)CC(=O)[O-] 269956a_100016989150_100011215226 [1,1,0,0,0,0|1,0,1]=4 1082 B10R0.87 O=C(O)C[C@@H](CO)NCCF 269956a_100009816507_100011217306 [1,1,0,0,0,0|2,0,0]=4 1083 B10R0.87 O=C(O)C[C@@H](CO)NCCO 269956a_100009816507_100000211926 [1,1,0,0,0,0|1,0,0]=3 1084 B10R0.87 O=C([O-])CN(CO)CCCF 269956a_100016989150_100011934791 [1,1,0,0,0,0|1,0,1]=4 1085 B10R0.87 O=C([O-])CN(CO)CCCO 269956a_100016989150_100011215043 [1,1,0,0,0,0|0,0,1]=3 1086 B10R0.73 C=CC(=O)N(CCO)CCO 240690a_100000210587_200121576911 [1,1,0,0,0,0|1,0,1]=4 1087 B10R0.73 C=CC(C)N(CCC)CCO 269982a_100000211420_100011215867 [1,1,0,0,0,0|2,0,0]=4 1088 B10R0.73 C=CC(C)N(CCO)CCO 269982a_100000210587_100011215867 [1,1,0,0,0,0|1,0,0]=3 1089 B10R0.73 C=CCN(CCC)C(C)CO 2230a_100011303929_100000210623 [1,1,0,0,0,0|2,0,0]=4 1090 B10R0.73 C=CCN(CCC)C(C)CO 269982a_100011303929_100000210623 [1,1,0,0,0,0|2,0,0]=4 1091 B10R0.73 CC(C#N)N(CCO)CCO 2230a_100000210587_100000184139 [1,1,0,0,0,0|1,0,1]=4 1092 B10R0.73 CC(C#N)N(CCO)CCO 269982a_100000210587_100000703298 [1,1,0,0,0,0|1,0,1]=4 1093 B10R0.73 CC(CO)N(CCO)CCO 2230a_100000210587_100012180447 [1,1,0,0,0,0|0,0,1]=3 1094 B10R0.73 CCC(C)N(CCO)CCO 2230a_100000210587_100000758301 [1,1,0,0,0,0|1,0,1]=4 1095 B10R0.73 CCC(C)N(CCO)CCO 269982a_100000210587_100000758301 [1,1,0,0,0,0|1,0,1]=4 1096 B10R0.73 CCCN(CC=O)C(C)CC 2230a_200011216551_200015260668 [1,1,0,0,0,0|2,0,0]=4 1097 B10R0.73 CCCN(CC=O)C(C)CC 269982a_200011216551_200015260668 [1,1,0,0,0,0|2,0,0]=4 1098 B10R0.73 CCCN(CC=O)C(C)CO 2230a_100011303929_200015260668 [1,1,0,0,0,0|1,0,0]=3 1099 B10R0.73 CCCN(CC=O)C(C)CO 269982a_100011303929_200015260668 [1,1,0,0,0,0|1,0,0]=3 1100 B10R0.73 CCCN(CCO)C(C)CO 2230a_100000211420_100012180447 [1,1,0,0,0,0|1,0,1]=4 1101 B10R0.73 CCCN(CCO)C(C)CO 2230a_100011303929_100000211926 [1,1,0,0,0,0|1,0,1]=4 1102 B10R0.73 CCCN(CCO)C(C)CO 269982a_100011303929_100000211926 [1,1,0,0,0,0|1,0,1]=4 1103 B10R0.73 CCCN(CCO)[C@H](C)CO 269982a_100000211420_100016084084 [1,1,0,0,0,0|1,0,1]=4 1104 B10R0.73 COC(C)N(CCO)CCO 269982a_100000210587_100009879195 [1,1,0,0,0,0|2,0,0]=4 1105 B10R0.73 C[C@H](CO)N(CCO)CCO 269982a_100000210587_100016084084 [1,1,0,0,0,0|0,0,1]=3 1106 B10R0.73 O=C(CO)N(CCO)CCO 240690a_100000210587_100000210174 [1,1,0,0,0,0|0,0,2]=4 1107 B10R0.90 C#CCCN(CCO)CCO 2230a_100000210587_100000688953 [1,1,0,0,0,0|1,0,1]=4 1108 B10R0.90 C#CCCN(CCO)CCO 269982a_100000210587_100000730999 [1,1,0,0,0,0|1,0,1]=4 1109 B10R0.90 C#CCN(CC=O)CCOC 2230a_100000223814_200015260668 [1,1,0,0,0,0|1,0,1]=4 1110 B10R0.90 C#CCN(CC=O)CCOC 34a_100000223814_200009817547 [1,1,0,0,0,0|1,0,1]=4 1111 B10R0.90 C#CCN(CCO)CCCO 2230a_200000212863_100000038162 [1,1,0,0,0,0|1,0,1]=4 1112 B10R0.90 C#CCN(CCO)CCOC 2230a_100000223814_100000211926 [1,1,0,0,0,0|1,0,1]=4 1113 B10R0.90 C#CCN(CCO)CCOC 34a_100000223814_100000211926 [1,1,0,0,0,0|1,0,1]=4 1114 B10R0.90 C/C=C/CN(CCC)CCO 269982a_100000211420_100102629194 [1,1,0,0,0,0|2,0,0]=4 1115 B10R0.90 C/C=C/CN(CCO)CCO 269982a_100000210587_100102629194 [1,1,0,0,0,0|1,0,0]=3 1116 B10R0.90 C=CCCN(CCC)CCO 2230a_100000211420_100000754431 [1,1,0,0,0,0|2,0,0]=4 1117 B10R0.90 C=CCCN(CCC)CCO 269982a_100000211420_100000754431 [1,1,0,0,0,0|2,0,0]=4 1118 B10R0.90 C=CCCN(CCO)CCO 2230a_100000210587_100000754431 [1,1,0,0,0,0|1,0,0]=3 1119 B10R0.90 C=CCCN(CCO)CCO 269982a_100000210587_100000754431 [1,1,0,0,0,0|1,0,0]=3 1120 B10R0.90 C=CCN(CCC)CCOC 2230a_200011192371_100000210623 [1,1,0,0,0,0|2,0,0]=4 1121 B10R0.90 C=CCN(CCC)CCOC 269982a_200011192371_100000210623 [1,1,0,0,0,0|2,0,0]=4 1122 B10R0.90 C=CCN(CCO)CCCC 2230a_100000198060_100000210623 [1,1,0,0,0,0|2,0,0]=4 1123 B10R0.90 C=CCN(CCO)CCCC 269982a_100000198060_100000210623 [1,1,0,0,0,0|2,0,0]=4 1124 B10R0.90 C=CCN(CCO)CCCO 2230a_200000212863_100000210623 [1,1,0,0,0,0|1,0,0]=3 1125 B10R0.90 C=CCN(CCO)CCCO 269982a_200000212863_100000210623 [1,1,0,0,0,0|1,0,0]=3 1126 B10R0.90 CC#CCN(CCO)CCO 2230a_100000210587_100000748600 [1,1,0,0,0,0|1,0,1]=4 1127 B10R0.90 CC=CCN(CCC)CCO 2230a_100000211420_100000070051 [1,1,0,0,0,0|2,0,0]=4 1128 B10R0.90 CC=CCN(CCO)CCO 2230a_100000210587_100000070051 [1,1,0,0,0,0|1,0,0]=3 1129 B10R0.90 CCCCN(CC=O)CCC 2230a_200000207744_200015260668 [1,1,0,0,0,0|2,0,0]=4 1130 B10R0.90 CCCCN(CC=O)CCC 269982a_200000207744_200015260668 [1,1,0,0,0,0|2,0,0]=4 1131 B10R0.90 CCCCN(CC=O)CCO 2230a_100000198060_200015260668 [1,1,0,0,0,0|1,0,0]=3 1132 B10R0.90 CCCCN(CC=O)CCO 269982a_100000198060_200015260668 [1,1,0,0,0,0|1,0,0]=3 1133 B10R0.90 CCCCN(CCO)CCO 2230a_100000198060_100000211926 [1,1,0,0,0,0|1,0,1]=4 1134 B10R0.90 CCCCN(CCO)CCO 2230a_100000210587_100000210211 [1,1,0,0,0,0|1,0,1]=4 1135 B10R0.90 CCCCN(CCO)CCO 269982a_100000198060_100000211926 [1,1,0,0,0,0|1,0,1]=4 1136 B10R0.90 CCCCN(CCO)CCO 269982a_100000210587_100000210211 [1,1,0,0,0,0|1,0,1]=4 1137 B10R0.90 CCCN(CC=O)CCC#N 2230a_100000176855_200015260668 [1,1,0,0,0,0|2,0,0]=4 1138 B10R0.90 CCCN(CC=O)CCOC 2230a_200011192371_200015260668 [1,1,0,0,0,0|1,0,0]=3 1139 B10R0.90 CCCN(CC=O)CCOC 269982a_200011192371_200015260668 [1,1,0,0,0,0|1,0,0]=3 1140 B10R0.90 CCCN(CCO)CCCO 2230a_100000211420_100000230001 [1,1,0,0,0,0|1,0,1]=4 1141 B10R0.90 CCCN(CCO)CCCO 2230a_200000212863_100000210303 [1,1,0,0,0,0|1,0,1]=4 1142 B10R0.90 CCCN(CCO)CCCO 269982a_100000211420_100011215043 [1,1,0,0,0,0|1,0,1]=4 1143 B10R0.90 CCCN(CCO)CCCO 269982a_200000212863_100000210303 [1,1,0,0,0,0|1,0,1]=4 1144 B10R0.90 CCCN(CCO)CCOC 2230a_100000211420_100011201679 [1,1,0,0,0,0|1,0,1]=4 1145 B10R0.90 CCCN(CCO)CCOC 2230a_200011192371_100000211926 [1,1,0,0,0,0|1,0,1]=4 1146 B10R0.90 CCCN(CCO)CCOC 269982a_100000211420_100000233755 [1,1,0,0,0,0|1,0,1]=4 1147 B10R0.90 CCCN(CCO)CCOC 269982a_200011192371_100000211926 [1,1,0,0,0,0|1,0,1]=4 1148 B10R0.90 CCC[C@@H](CCO)NCC=O 2230a_100015193777_200015260668 [1,1,0,0,0,0|2,0,0]=4 1149 B10R0.90 CCC[C@@H](CCO)NCC=O 34a_100015193777_200009817547 [1,1,0,0,0,0|2,0,0]=4 1150 B10R0.90 CCOCN(CCO)CCO 269982a_100000210587_100000739092 [1,1,0,0,0,0|1,0,1]=4 1151 B10R0.90 COCCN(CC#N)CC=O 2230a_100011199603_200015260668 [1,1,0,0,0,0|1,0,1]=4 1152 B10R0.90 COCCN(CC#N)CCO 2230a_100011199603_100000211926 [1,1,0,0,0,0|1,0,1]=4 1153 B10R0.90 COCCN(CCO)CCO 2230a_100000210587_100011201679 [1,1,0,0,0,0|0,0,1]=3 1154 B10R0.90 COCCN(CCO)CCO 269982a_100000210587_100000233755 [1,1,0,0,0,0|0,0,1]=3 1155 B10R0.90 COCN(CCO)CCCO 2230a_200000212863_100000766300 [1,1,0,0,0,0|2,0,0]=4 1156 B10R0.90 COCN(CCO)CCCO 269982a_200000212863_100000766300 [1,1,0,0,0,0|2,0,0]=4 1157 B10R0.90 CSCCN(CCO)CCO 2230a_100000210587_100000751147 [1,1,0,0,0,0|0,1,1]=4 1158 B10R0.90 CSCCN(CCO)CCO 269982a_100000210587_100000212216 [1,1,0,0,0,0|0,1,1]=4 1159 B10R0.90 CSCN(CCO)CCCO 2230a_200000212863_100011218213 [1,1,0,0,0,0|2,0,0]=4 1160 B10R0.90 CSCN(CCO)CCCO 269982a_200000212863_100011218213 [1,1,0,0,0,0|2,0,0]=4 1161 B10R0.90 N#CCCN(CCO)CCO 2230a_100000210587_100011215226 [1,1,0,0,0,0|1,0,1]=4 1162 B10R0.90 N#CCCN(CCO)CCO 269982a_100000210587_100011215226 [1,1,0,0,0,0|1,0,1]=4 1163 B10R0.90 N#CCN(CCO)CCCO 2230a_200000212863_100011215382 [1,1,0,0,0,0|1,0,1]=4 1164 B10R0.90 N#CCN(CCO)CCCO 269982a_200000212863_100011214920 [1,1,0,0,0,0|1,0,1]=4 1165 B10R0.90 N#CSCN(CCO)CCO 269982a_100000210587_100000211825 [1,1,0,0,0,0|1,0,1]=4 1166 B10R0.90 O=CCN(CCO)CCCO 2230a_200000212863_200015260668 [1,1,0,0,0,0|0,0,0]=2 1167 B10R0.90 O=CCN(CCO)CCCO 269982a_200000212863_200015260668 [1,1,0,0,0,0|0,0,0]=2 1168 B10R0.90 OCCCN(CCO)CCF 2230a_200000212863_100011217306 [1,1,0,0,0,0|1,0,1]=4 1169 B10R0.90 OCCCN(CCO)CCF 269982a_200000212863_100011217306 [1,1,0,0,0,0|1,0,1]=4 1170 B10R0.90 OCCCN(CCO)CCO 2230a_100000210587_100000230001 [1,1,0,0,0,0|0,0,1]=3 1171 B10R0.90 OCCCN(CCO)CCO 2230a_200000212863_100000211926 [1,1,0,0,0,0|0,0,1]=3 1172 B10R0.90 OCCCN(CCO)CCO 269982a_100000210587_100011215043 [1,1,0,0,0,0|0,0,1]=3 1173 B10R0.90 OCCCN(CCO)CCO 269982a_200000212863_100000211926 [1,1,0,0,0,0|0,0,1]=3 1174 B10R0.90 OCCN(CCO)CCCF 2230a_100000210587_100011934791 [1,1,0,0,0,0|1,0,1]=4 1175 B10R0.90 OCCN(CCO)CCCF 269982a_100000210587_100011934791 [1,1,0,0,0,0|1,0,1]=4 1176 B10R0.30 CCCN(C(=O)C)C(C)CO 240690a_100011303929_100015343762 [0,1,0,0,1,0|2,0,0]=4 1177 B10R0.88 CC(=O)N(CCO)CCCO 240690a_200000212863_100015343762 [0,1,0,0,1,0|1,0,0]=3 1178 B10R0.88 CCCCN(CCO)C(=O)C 240690a_100000198060_100015343762 [0,1,0,0,1,0|2,0,0]=4 1179 B10R0.88 CCCN(CCOC)C(=O)C 11a_200011192371_100015343762 [0,1,0,0,1,0|2,0,0]=4 1180 B10R0.88 CCCN(CCOC)C(=O)C 1626a_200011192371_100015343762 [0,1,0,0,1,0|2,0,0]=4 1181 B10R0.88 CCCN(CCOC)C(=O)C 240690a_200011192371_100015343762 [0,1,0,0,1,0|2,0,0]=4 1182 B10R0.88 CCCN(CCOC)C(=O)C 527a_200011192371_100103153847 [0,1,0,0,1,0|2,0,0]=4 1183 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [0,1,0,0,1,0|2,0,0]=4 1184 B10R0.139 CS(=O)(=O)N(CCO)CCO 40a_100000210587_100000738038 [0,1,0,0,1,0|1,0,1]=4 1185 B12R0.12 C=C(C)CCN(CCO)CCCO 2230a_200000212863_100000730704 [0,1,0,0,0,1|2,0,0]=4 1186 B12R0.12 C=C(C)CCN(CCO)CCCO 269982a_200000212863_100000730704 [0,1,0,0,0,1|2,0,0]=4 1187 B12R0.12 CC(=CCN(CCO)CCCO)C 2230a_200000212863_100000761012 [0,1,0,0,0,1|2,0,0]=4 1188 B12R0.12 CC(=CCN(CCO)CCCO)C 269982a_200000212863_100000761012 [0,1,0,0,0,1|2,0,0]=4 1189 B12R0.12 CC(=O)CCN(CCO)CCCO 269982a_200000212863_100000053229 [0,1,0,0,0,1|1,0,0]=3 1190 B12R0.12 CC(=O)OCN(CCO)CCCO 269982a_200000212863_100000076356 [0,1,0,0,0,1|1,0,0]=3 1191 B12R0.12 CC(O)CCN(CCO)CCCO 2230a_200000212863_100012276601 [0,1,0,0,0,1|1,0,1]=4 1192 B12R0.12 CC(O)CCN(CCO)CCCO 269982a_200000212863_100012276601 [0,1,0,0,0,1|1,0,1]=4 1193 B12R0.12 CCCCN(CCO)CCC(=O)C 269982a_100000198060_100000053229 [0,1,0,0,0,1|2,0,0]=4 1194 B12R0.12 CCCCN(CCO)CCC(=O)N 2230a_100000198060_100000744528 [0,1,0,0,0,1|2,0,0]=4 1195 B12R0.12 CCCCN(CCO)CCC(=O)N 269982a_100000198060_100000744528 [0,1,0,0,0,1|2,0,0]=4 1196 B12R0.12 CCCCN(CCO)COC(=O)C 269982a_100000198060_100000076356 [0,1,0,0,0,1|2,0,0]=4 1197 B12R0.12 CCCN(CCOC)CCC(=O)C 269982a_200011192371_100000053229 [0,1,0,0,0,1|2,0,0]=4 1198 B12R0.12 CCCN(CCOC)CCC(=O)N 2230a_200011192371_100000744528 [0,1,0,0,0,1|2,0,0]=4 1199 B12R0.12 CCCN(CCOC)CCC(=O)N 269982a_200011192371_100000744528 [0,1,0,0,0,1|2,0,0]=4 1200 B12R0.12 CCCN(CCOC)COC(=O)C 269982a_200011192371_100000076356 [0,1,0,0,0,1|2,0,0]=4 1201 B12R0.12 NC(=O)CCN(CCO)CCCO 2230a_200000212863_100000744528 [0,1,0,0,0,1|1,0,0]=3 1202 B12R0.12 NC(=O)CCN(CCO)CCCO 269982a_200000212863_100000744528 [0,1,0,0,0,1|1,0,0]=3 1203 B12R0.51 CCCN(CCC(=O)C)C(C)CO 269982a_100011303929_100000053229 [0,1,0,0,0,1|2,0,0]=4 1204 B12R0.51 CCCN(CCC(=O)N)C(C)CO 2230a_100011303929_100000744528 [0,1,0,0,0,1|2,0,0]=4 1205 B12R0.51 CCCN(CCC(=O)N)C(C)CO 269982a_100011303929_100000744528 [0,1,0,0,0,1|2,0,0]=4 1206 B12R0.51 CCCN(COC(=O)C)C(C)CO 269982a_100011303929_100000076356 [0,1,0,0,0,1|2,0,0]=4 1207 B12R0.52 C=C(C)CCN(CCO)CC(C)O 2230a_100000731851_100000730704 [0,1,0,0,0,1|2,0,0]=4 1208 B12R0.52 C=C(C)CCN(CCO)CC(C)O 269982a_100000731851_100000730704 [0,1,0,0,0,1|2,0,0]=4 1209 B12R0.52 CC(=CCN(CCO)CC(C)O)C 2230a_100000731851_100000761012 [0,1,0,0,0,1|2,0,0]=4 1210 B12R0.52 CC(=CCN(CCO)CC(C)O)C 269982a_100000731851_100000761012 [0,1,0,0,0,1|2,0,0]=4 1211 B12R0.52 CC(=O)CCN(CCO)CC(=O)O 269956a_100000747938_100000053229 [0,1,0,0,0,1|1,0,1]=4 1212 B12R0.52 CC(=O)CCN(CCO)CC(C)C 269982a_100015185251_100000053229 [0,1,0,0,0,1|2,0,0]=4 1213 B12R0.52 CC(=O)CCN(CCO)CC(C)O 269982a_100000731851_100000053229 [0,1,0,0,0,1|1,0,0]=3 1214 B12R0.52 CC(=O)OCN(CCO)CC(=O)O 269956a_100000747938_100000076356 [0,1,0,0,0,1|1,0,1]=4 1215 B12R0.52 CC(=O)OCN(CCO)CC(C)C 269982a_100015185251_100000076356 [0,1,0,0,0,1|2,0,0]=4 1216 B12R0.52 CC(=O)OCN(CCO)CC(C)O 269982a_100000731851_100000076356 [0,1,0,0,0,1|1,0,0]=3 1217 B12R0.52 CC(C)CN(CCO)CCC(=O)N 2230a_100015185251_100000744528 [0,1,0,0,0,1|2,0,0]=4 1218 B12R0.52 CC(C)CN(CCO)CCC(=O)N 269982a_100015185251_100000744528 [0,1,0,0,0,1|2,0,0]=4 1219 B12R0.52 CC(O)CCN(CCO)CC(C)O 2230a_100000731851_100012276601 [0,1,0,0,0,1|1,0,1]=4 1220 B12R0.52 CC(O)CCN(CCO)CC(C)O 269982a_100000731851_100012276601 [0,1,0,0,0,1|1,0,1]=4 1221 B12R0.52 CC(O)CN(CCO)CCC(=O)N 2230a_100000731851_100000744528 [0,1,0,0,0,1|1,0,0]=3 1222 B12R0.52 CC(O)CN(CCO)CCC(=O)N 269982a_100000731851_100000744528 [0,1,0,0,0,1|1,0,0]=3 1223 B12R0.52 NC(=O)CCN(CCO)CC(=O)O 269956a_100000747938_100000744528 [0,1,0,0,0,1|1,0,1]=4 1224 B12R0.159 CC(=O)OC(C)N(CCO)CCO 269982a_100000210587_100009818208 [0,1,0,0,0,1|1,0,0]=3 1225 B12R0.159 CCCN(CCO)C(=O)CC(=O)N 240690a_100000211420_100134613110 [0,1,0,0,0,1|2,0,0]=4 1226 B12R0.159 CCCN(CCO)C(C)OC(=O)C 269982a_100000211420_100009818208 [0,1,0,0,0,1|2,0,0]=4 1227 B12R0.159 C[C@@H](O)CC(=O)N(CCO)CCO 240690a_100000210587_100011933948 [0,1,0,0,0,1|1,0,1]=4 1228 B12R0.159 NC(=O)CC(=O)N(CCO)CCO 240690a_100000210587_100134613110 [0,1,0,0,0,1|1,0,0]=3 1229 B12R0.160 CCCN(CCC)CCC(=O)OC 2230a_100000210455_100000204255 [0,1,0,0,0,1|2,0,0]=4 1230 B12R0.160 CCCN(CCC)CCC(=O)OC 269982a_100000210455_100000204255 [0,1,0,0,0,1|2,0,0]=4 1231 B12R0.160 CCCN(CCO)CCC(=O)NC 2230a_100000211420_100000737683 [0,1,0,0,0,1|2,0,0]=4 1232 B12R0.160 CCCN(CCO)CCC(=O)NC 269982a_100000211420_100000737683 [0,1,0,0,0,1|2,0,0]=4 1233 B12R0.160 CCCN(CCO)CCC(=O)OC 2230a_100000211420_100000204255 [0,1,0,0,0,1|1,0,0]=3 1234 B12R0.160 CCCN(CCO)CCC(=O)OC 269982a_100000211420_100000204255 [0,1,0,0,0,1|1,0,0]=3 1235 B12R0.160 CCC[C@@H](CCO)NCC(=O)OC 2230a_100015193777_100000747449 [0,1,0,0,0,1|2,0,0]=4 1236 B12R0.160 CCC[C@@H](CCO)NCC(=O)OC 34a_100015193777_100000747449 [0,1,0,0,0,1|2,0,0]=4 1237 B12R0.160 CNC(=O)CCN(CCO)CCO 2230a_100000210587_100000737683 [0,1,0,0,0,1|1,0,0]=3 1238 B12R0.160 CNC(=O)CCN(CCO)CCO 269982a_100000210587_100000737683 [0,1,0,0,0,1|1,0,0]=3 1239 B12R0.160 COC(=O)CCN(CCO)CCO 2230a_100000210587_100000204255 [0,1,0,0,0,1|0,0,0]=2 1240 B12R0.160 COC(=O)CCN(CCO)CCO 269982a_100000210587_100000204255 [0,1,0,0,0,1|0,0,0]=2 1241 B12R0.166 CC(=O)C(=O)CN(CCO)CCO 269982a_100000210587_100011261029 [0,1,0,0,0,1|1,0,0]=3 1242 B12R0.166 CCCN(CCO)CC(=O)C(=O)C 269982a_100000211420_100011261029 [0,1,0,0,0,1|2,0,0]=4 1243 B12R0.547 CC(C)(O)CCN(CCO)CCO 2230a_100000210587_100000702414 [0,1,0,0,0,1|1,0,1]=4 1244 B12R0.547 CS(=O)(=O)CCN(CCO)CCO 2230a_100000210587_100000731031 [0,1,0,0,0,1|1,0,1]=4 1245 B12R0.547 CS(=O)(=O)CCN(CCO)CCO 269982a_100000210587_100000731031 [0,1,0,0,0,1|1,0,1]=4 1246 B12R0.547 O=S(=O)([O-])CCN(CCO)CCO 2230a_100000210587_100000737633 [0,1,0,0,0,1|1,0,1]=4 1247 B12R0.41 C=C(C)CN(CC(C)O)CC(C)O 2230a_100011218400_100000748629 [0,2,0,0,0,0|2,0,0]=4 1248 B12R0.41 C=C(C)CN(CC(C)O)CC(C)O 269982a_100011218400_100000748629 [0,2,0,0,0,0|2,0,0]=4 1249 B12R0.41 C=C(F)CN(CC(C)O)CC(C)O 2230a_100011218400_100009893438 [0,2,0,0,0,0|2,0,0]=4 1250 B12R0.41 C=C(F)CN(CC(C)O)CC(C)O 269982a_100011218400_100009893438 [0,2,0,0,0,0|2,0,0]=4 1251 B12R0.41 CC(O)CN(CC(=O)N)CC(C)O 2230a_100011218400_100000747473 [0,2,0,0,0,0|1,0,0]=3 1252 B12R0.41 CC(O)CN(CC(=O)N)CC(C)O 269982a_100011218400_100000187820 [0,2,0,0,0,0|1,0,0]=3 1253 B12R0.41 CC(O)CN(CC(=O)[O-])CC(C)O 269982a_100011218400_100020667443 [0,2,0,0,0,0|0,0,1]=3 1254 B12R0.41 CC(O)CN(CC(C)O)CC(C)O 2230a_100011218400_100011218427 [0,2,0,0,0,0|1,0,1]=4 1255 B12R0.41 CC(O)CN(CC(C)O)CC(C)O 269982a_100011218400_100011218427 [0,2,0,0,0,0|1,0,1]=4 1256 B12R0.41 CC(O)CN(CC(C)O)C[C@@H](C)O 2230a_100011218400_100009817552 [0,2,0,0,0,0|1,0,1]=4 1257 B12R0.41 CC(O)CN(CC(C)O)C[C@@H](C)O 269982a_100011218400_100009817552 [0,2,0,0,0,0|1,0,1]=4 1258 B12R0.41 CC(O)CN(CC(C)O)C[N+](=O)[O-] 269982a_100011218400_100000761209 [0,2,0,0,0,0|1,0,1]=4 1259 B12R0.53 C=C(C)CN(CCO)C(C)C(=O)O 269956a_100011300695_100000748629 [0,2,0,0,0,0|1,0,1]=4 1260 B12R0.53 C=C(F)CN(CCO)C(C)C(=O)O 269956a_100011300695_100000042424 [0,2,0,0,0,0|1,0,1]=4 1261 B12R0.53 CC(=O)C(C)N(CCO)CC(=O)O 269956a_100000747938_100009814033 [0,2,0,0,0,0|0,0,2]=4 1262 B12R0.53 CC(=O)C(C)N(CCO)CC(C)C 2230a_100015185251_100009814033 [0,2,0,0,0,0|2,0,0]=4 1263 B12R0.53 CC(=O)C(C)N(CCO)CC(C)C 269982a_100015185251_100009814033 [0,2,0,0,0,0|2,0,0]=4 1264 B12R0.53 CC(=O)C(C)N(CCO)CC(C)O 2230a_100000731851_100009814033 [0,2,0,0,0,0|1,0,0]=3 1265 B12R0.53 CC(=O)C(C)N(CCO)CC(C)O 269982a_100000731851_100009814033 [0,2,0,0,0,0|1,0,0]=3 1266 B12R0.53 CC(C(=O)O)N(CCO)CC(=O)N 269956a_100011300695_100000187820 [0,2,0,0,0,0|0,0,2]=4 1267 B12R0.53 CC(C(=O)O)N(CCO)CC(=O)[O-] 269956a_100011300695_100020667443 [0,2,0,0,0,0|0,0,2]=4 1268 B12R0.53 CC(C(=O)O)N(CCO)CC(F)F 269956a_100011300695_100011934356 [0,2,0,0,0,0|1,0,0]=3 1269 B12R0.53 CC(C(=O)O)N(CCO)C[C@@H](C)O 269956a_100011300695_100009817552 [0,2,0,0,0,0|0,0,0]=2 1270 B12R0.53 CC(C(=O)O)N(CCO)C[N+](=O)[O-] 269956a_100011300695_100000761209 [0,2,0,0,0,0|1,0,1]=4 1271 B12R0.53 CC(C)CN(CCO)C(C)C(=O)N 2230a_100015185251_100000702099 [0,2,0,0,0,0|2,0,0]=4 1272 B12R0.53 CC(C)CN(CCO)C(C)C(=O)N 269982a_100015185251_100000184083 [0,2,0,0,0,0|2,0,0]=4 1273 B12R0.53 CC(C)CN(CCO)C(C)C(=O)O 269956a_100011300695_100000210760 [0,2,0,0,0,0|1,0,0]=3 1274 B12R0.53 CC(C)CN(CCO)C(F)C(=O)N 2230a_100015185251_100009813875 [0,2,0,0,0,0|2,0,0]=4 1275 B12R0.53 CC(C)CN(CCO)C(F)C(=O)N 269982a_100015185251_100009813875 [0,2,0,0,0,0|2,0,0]=4 1276 B12R0.53 CC(O)CN(CCO)C(=O)C(=O)N 240690a_100000731851_100011215815 [0,2,0,0,0,0|1,0,1]=4 1277 B12R0.53 CC(O)CN(CCO)C(C)C(=O)N 2230a_100000731851_100000702099 [0,2,0,0,0,0|1,0,0]=3 1278 B12R0.53 CC(O)CN(CCO)C(C)C(=O)N 269982a_100000731851_100000184083 [0,2,0,0,0,0|1,0,0]=3 1279 B12R0.53 CC(O)CN(CCO)C(C)C(=O)O 269956a_100011300695_100011218427 [0,2,0,0,0,0|0,0,0]=2 1280 B12R0.53 CC(O)CN(CCO)C(F)C(=O)N 2230a_100000731851_100009813875 [0,2,0,0,0,0|1,0,0]=3 1281 B12R0.53 CC(O)CN(CCO)C(F)C(=O)N 269982a_100000731851_100009813875 [0,2,0,0,0,0|1,0,0]=3 1282 B12R0.180 CC(O)CN(CC(C)O)C(C)CO 2230a_100011218400_100012180447 [0,2,0,0,0,0|1,0,1]=4 1283 B12R0.180 CC(O)CN(CC(C)O)[C@H](C)CO 269982a_100011218400_100016084084 [0,2,0,0,0,0|1,0,1]=4 1284 B12R0.242 CC(C)CN(CCC#N)CC(=O)O 269956a_100011218032_100000210760 [0,2,0,0,0,0|2,0,0]=4 1285 B12R0.242 CC(O)CN(CCC#N)CC(=O)O 269956a_100011218032_100011218427 [0,2,0,0,0,0|1,0,0]=3 1286 B12R0.242 CC(O)CN(CCCO)CC(C)O 2230a_100011218400_100000230001 [0,2,0,0,0,0|1,0,1]=4 1287 B12R0.242 CC(O)CN(CCCO)CC(C)O 269982a_100011218400_100011215043 [0,2,0,0,0,0|1,0,1]=4 1288 B12R0.242 COCCN(CC(C)O)CC(C)O 2230a_100011218400_100011201679 [0,2,0,0,0,0|1,0,1]=4 1289 B12R0.242 COCCN(CC(C)O)CC(C)O 269982a_100011218400_100000233755 [0,2,0,0,0,0|1,0,1]=4 1290 B12R0.242 C[C@@H](O)CN(CCC#N)CC(=O)O 269956a_100011218032_100009817552 [0,2,0,0,0,0|1,0,0]=3 1291 B12R0.242 N#CCCN(CC(=O)O)CC(F)F 269956a_100011218032_100011934356 [0,2,0,0,0,0|2,0,0]=4 1292 B12R0.398 C#CCN(CC(=O)O)CC(C)(C)O 269956a_100011236498_100000764493 [0,2,0,0,0,0|1,0,1]=4 1293 B12R0.398 C=CCN(CC(=O)O)CC(C)(C)O 269956a_100000744315_100000764493 [0,2,0,0,0,0|1,0,1]=4 1294 B12R0.398 CC(C)(C)CN(CCO)CC(=O)N 2230a_100000752879_100000747473 [0,2,0,0,0,0|2,0,0]=4 1295 B12R0.398 CC(C)(C)CN(CCO)CC(=O)N 269982a_100000752879_100000187820 [0,2,0,0,0,0|2,0,0]=4 1296 B12R0.398 CC(C)(C)CN(CCO)CC(=O)O 269956a_100000747938_100011219605 [0,2,0,0,0,0|1,0,0]=3 1297 B12R0.398 CC(C)(C)CN(CCO)CC(=O)[O-] 269982a_100000752879_100020667443 [0,2,0,0,0,0|1,0,1]=4 1298 B12R0.398 CC(C)(F)CN(CCO)CC(=O)O 269956a_100000747938_100011997219 [0,2,0,0,0,0|1,0,0]=3 1299 B12R0.398 CC(C)(O)CN(CCO)CC(=O)O 269956a_100000747938_100000764493 [0,2,0,0,0,0|0,0,0]=2 1300 B12R0.398 C[N+](C)(C)CN(CCO)CC(=O)O 269956a_100000747938_200000036245 [0,2,0,0,0,0|2,0,0]=4 1301 B12R0.398 C[Si](C)(C)CN(CCO)CC(=O)O 269956a_100000747938_100000037933 [0,2,0,0,0,0|1,1,0]=4 1302 B12R0.398 NS(=O)(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000741382 [0,2,0,0,0,0|1,0,1]=4 1303 B12R0.398 O=C(O)CN(CCO)CC(F)(F)F 269956a_100000747938_100000763148 [0,2,0,0,0,0|1,0,0]=3 1304 B12R0.398 O=C(O)CN(CCO)CS(=O)(=O)[O-] 269956a_100000747938_100009817235 [0,2,0,0,0,0|1,0,1]=4 1305 B12R0.399 C#CCN(CC(=O)O)CC(O)C=C 269956a_100011236498_100000730141 [0,2,0,0,0,0|1,0,1]=4 1306 B12R0.399 C#CCN(CC(=O)O)CC(O)CC 269956a_100011236498_100011218378 [0,2,0,0,0,0|1,0,1]=4 1307 B12R0.399 C#CCN(CC(=O)O)CC(O)CO 269956a_100011236498_100011219619 [0,2,0,0,0,0|1,0,1]=4 1308 B12R0.399 C#CCN(CC(=O)O)C[C@@H](C)CO 269956a_100011236498_100000059175 [0,2,0,0,0,0|1,0,1]=4 1309 B12R0.399 C#CCN(CC(=O)O)C[C@@H](O)CF 269956a_100011236498_100015614560 [0,2,0,0,0,0|1,0,1]=4 1310 B12R0.399 C#CCN(CC(=O)O)C[C@@H](O)CO 269956a_100011236498_100009815848 [0,2,0,0,0,0|1,0,1]=4 1311 B12R0.399 C=C(C#N)CN(CCO)CC(=O)O 269956a_100000747938_100000694840 [0,2,0,0,0,0|1,0,1]=4 1312 B12R0.399 C=C(C#N)CN(CCO)CC(C)O 2230a_100000731851_100000694840 [0,2,0,0,0,0|2,0,0]=4 1313 B12R0.399 C=C(C#N)CN(CCO)CC(C)O 269982a_100000731851_100000694840 [0,2,0,0,0,0|2,0,0]=4 1314 B12R0.399 C=CC(O)CN(CCO)CC(=O)O 269956a_100000747938_100000730141 [0,2,0,0,0,0|0,0,0]=2 1315 B12R0.399 C=CC(O)CN(CCO)CC(C)O 2230a_100000731851_100000730141 [0,2,0,0,0,0|1,0,1]=4 1316 B12R0.399 C=CCN(CC(=O)O)CC(O)C=C 269956a_100000744315_100000730141 [0,2,0,0,0,0|1,0,1]=4 1317 B12R0.399 C=CCN(CC(=O)O)CC(O)CC 269956a_100000744315_100011218378 [0,2,0,0,0,0|1,0,1]=4 1318 B12R0.399 C=CCN(CC(=O)O)CC(O)CO 269956a_100000744315_100011219619 [0,2,0,0,0,0|1,0,1]=4 1319 B12R0.399 C=CCN(CC(=O)O)C[C@@H](C)CO 269956a_100000744315_100000059175 [0,2,0,0,0,0|1,0,1]=4 1320 B12R0.399 C=CCN(CC(=O)O)C[C@@H](O)CF 269956a_100000744315_100015614560 [0,2,0,0,0,0|1,0,1]=4 1321 B12R0.399 C=CCN(CC(=O)O)C[C@@H](O)CO 269956a_100000744315_100009815848 [0,2,0,0,0,0|1,0,1]=4 1322 B12R0.399 CC(O)CN(CCO)CC(O)CO 2230a_100000731851_100011219619 [0,2,0,0,0,0|0,0,2]=4 1323 B12R0.399 CC(O)CN(CCO)C[C@@H](C)CO 2230a_100000731851_100000059175 [0,2,0,0,0,0|1,0,1]=4 1324 B12R0.399 CC(O)CN(CCO)C[C@@H](C)CO 269982a_100000731851_100000059175 [0,2,0,0,0,0|1,0,1]=4 1325 B12R0.399 CC(O)CN(CCO)C[C@@H](O)CF 2230a_100000731851_100015614560 [0,2,0,0,0,0|1,0,1]=4 1326 B12R0.399 CC(O)CN(CCO)C[C@@H](O)CO 2230a_100000731851_100009815848 [0,2,0,0,0,0|0,0,2]=4 1327 B12R0.399 CCC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000747405 [0,2,0,0,0,0|1,0,0]=3 1328 B12R0.399 CCC(=O)CN(CCO)CC(C)C 269982a_100015185251_100000747405 [0,2,0,0,0,0|2,0,0]=4 1329 B12R0.399 CCC(=O)CN(CCO)CC(C)O 269982a_100000731851_100000747405 [0,2,0,0,0,0|1,0,0]=3 1330 B12R0.399 CCC(C)CN(CCO)CC(=O)O 269956a_100000747938_100000748023 [0,2,0,0,0,0|1,0,0]=3 1331 B12R0.399 CCC(O)CN(CCO)CC(=O)O 269956a_100000747938_100011218378 [0,2,0,0,0,0|0,0,0]=2 1332 B12R0.399 CCC(O)CN(CCO)CC(C)O 2230a_100000731851_100011218378 [0,2,0,0,0,0|1,0,1]=4 1333 B12R0.399 CCC(O)CN(CCO)CC(C)O 269982a_100000731851_100011218378 [0,2,0,0,0,0|1,0,1]=4 1334 B12R0.399 CCCN(CC(=O)N)CC(O)CO 2230a_200000156893_100000747473 [0,2,0,0,0,0|2,0,0]=4 1335 B12R0.399 CCCN(CC(=O)N)CC(O)CO 269982a_200000156893_100000187820 [0,2,0,0,0,0|2,0,0]=4 1336 B12R0.399 CCCN(CC(=O)[O-])CC(O)CO 269982a_200000156893_100020667443 [0,2,0,0,0,0|1,0,1]=4 1337 B12R0.399 CC[C@H](C)CN(CCO)CC(=O)O 269956a_100000747938_100009816398 [0,2,0,0,0,0|1,0,0]=3 1338 B12R0.399 CNC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000183359 [0,2,0,0,0,0|0,0,2]=4 1339 B12R0.399 CNC(=O)CN(CCO)CC(C)C 2230a_100015185251_100000183359 [0,2,0,0,0,0|2,0,0]=4 1340 B12R0.399 CNC(=O)CN(CCO)CC(C)C 269982a_100015185251_100000183359 [0,2,0,0,0,0|2,0,0]=4 1341 B12R0.399 CNC(=O)CN(CCO)CC(C)O 2230a_100000731851_100000183359 [0,2,0,0,0,0|1,0,0]=3 1342 B12R0.399 CNC(=O)CN(CCO)CC(C)O 269982a_100000731851_100000183359 [0,2,0,0,0,0|1,0,0]=3 1343 B12R0.399 COC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000747449 [0,2,0,0,0,0|0,0,1]=3 1344 B12R0.399 COC(=O)CN(CCO)CC(C)C 2230a_100015185251_100000747449 [0,2,0,0,0,0|1,0,0]=3 1345 B12R0.399 COC(=O)CN(CCO)CC(C)C 269982a_100015185251_100000747449 [0,2,0,0,0,0|1,0,0]=3 1346 B12R0.399 COC(=O)CN(CCO)CC(C)O 2230a_100000731851_100000747449 [0,2,0,0,0,0|0,0,0]=2 1347 B12R0.399 COC(=O)CN(CCO)CC(C)O 269982a_100000731851_100000747449 [0,2,0,0,0,0|0,0,0]=2 1348 B12R0.399 C[C@@H](CO)CN(CCO)CC(=O)O 269956a_100000747938_100000059175 [0,2,0,0,0,0|0,0,0]=2 1349 B12R0.399 O=C(O)CN(CCO)CC(O)CO 269956a_100000747938_100011219619 [0,2,0,0,0,0|0,0,0]=2 1350 B12R0.399 O=C(O)CN(CCO)C[C@@H](O)CF 269956a_100000747938_100015614560 [0,2,0,0,0,0|0,0,0]=2 1351 B12R0.399 O=C(O)CN(CCO)C[C@@H](O)CO 269956a_100000747938_100009815848 [0,2,0,0,0,0|0,0,0]=2 1352 B12R0.50 C#CC(C)N(CCO)C(C)C(=O)O 269956a_100011300695_200000035995 [0,2,0,0,0,0|1,0,1]=4 1353 B12R0.50 C=CC(C)N(CCO)C(C)C(=O)O 269956a_100011300695_100011215867 [0,2,0,0,0,0|1,0,1]=4 1354 B12R0.50 CC(C#N)N(CCO)C(C)C(=O)O 269956a_100011300695_100000184139 [0,2,0,0,0,0|1,0,1]=4 1355 B12R0.50 CC(C(=O)O)N(CCO)[C@H](C)CO 269956a_100011300695_100016084084 [0,2,0,0,0,0|0,0,0]=2 1356 B12R0.50 CCC(C)N(CCO)C(C)C(=O)O 269956a_100011300695_100000758301 [0,2,0,0,0,0|1,0,0]=3 1357 B12R0.50 CCCN(C(C)CO)C(C)C(=O)C 2230a_100011303929_100009814033 [0,2,0,0,0,0|2,0,0]=4 1358 B12R0.50 CCCN(C(C)CO)C(C)C(=O)C 269982a_100011303929_100009814033 [0,2,0,0,0,0|2,0,0]=4 1359 B12R0.50 CCCN(C(C)CO)C(C)C(=O)N 2230a_100011303929_100000702099 [0,2,0,0,0,0|2,0,0]=4 1360 B12R0.50 CCCN(C(C)CO)C(C)C(=O)N 269982a_100011303929_100000184083 [0,2,0,0,0,0|2,0,0]=4 1361 B12R0.50 CCCN(C(C)CO)C(F)C(=O)N 2230a_100011303929_100009813875 [0,2,0,0,0,0|2,0,0]=4 1362 B12R0.50 CCCN(C(C)CO)C(F)C(=O)N 269982a_100011303929_100009813875 [0,2,0,0,0,0|2,0,0]=4 1363 B12R0.50 COC(C)N(CCO)C(C)C(=O)O 269956a_100011300695_100009879195 [0,2,0,0,0,0|2,0,0]=4 1364 B12R0.247 CCC(C)N(CCC#N)CC(=O)O 269956a_100011218032_100000758301 [0,2,0,0,0,0|2,0,0]=4 1365 B12R0.247 CCC(C)N(CCOC)CC(=O)N 2230a_200000740884_100000747473 [0,2,0,0,0,0|2,0,0]=4 1366 B12R0.247 CCC(C)N(CCOC)CC(=O)N 269982a_200000740884_100000187820 [0,2,0,0,0,0|2,0,0]=4 1367 B12R0.247 CCC(C)N(CCOC)CC(=O)[O-] 269982a_200000740884_100020667443 [0,2,0,0,0,0|1,0,1]=4 1368 B12R0.247 CC[C@H](C)[C@@H](CC(=O)O)NCCO 269956a_100020625877_100000211926 [0,2,0,0,0,0|2,0,0]=4 1369 B12R0.247 C[C@H](CO)N(CCC#N)CC(=O)O 269956a_100011218032_100016084084 [0,2,0,0,0,0|1,0,0]=3 1370 B12R0.284 C#CCN(CC(=O)O)C(C)CCO 269956a_100011236498_100009893172 [0,2,0,0,0,0|1,0,1]=4 1371 B12R0.284 C#CCN(CC(=O)O)C(C)COC 269956a_100011236498_100000765312 [0,2,0,0,0,0|1,0,1]=4 1372 B12R0.284 C=CCN(CC(=O)O)C(C)CCO 269956a_100000744315_100009893172 [0,2,0,0,0,0|1,0,1]=4 1373 B12R0.284 C=CCN(CC(=O)O)C(C)COC 269956a_100000744315_100000765312 [0,2,0,0,0,0|1,0,1]=4 1374 B12R0.284 CC(CC#N)N(CCO)CC(=O)O 269956a_100000747938_100009813641 [0,2,0,0,0,0|1,0,0]=3 1375 B12R0.284 CC(CCO)N(CCO)CC(=O)O 269956a_100000747938_100009893172 [0,2,0,0,0,0|0,0,0]=2 1376 B12R0.284 CC(O)CN(CCO)C(=O)CCO 240690a_100000731851_100011216618 [0,2,0,0,0,0|1,0,1]=4 1377 B12R0.284 CC(O)CN(CCO)C(C)CCO 2230a_100000731851_100009893172 [0,2,0,0,0,0|1,0,1]=4 1378 B12R0.284 CC(O)CN(CCO)C(C)CCO 269982a_100000731851_100009893172 [0,2,0,0,0,0|1,0,1]=4 1379 B12R0.284 CCCC(C)N(CCO)CC(=O)O 269956a_100000747938_100000766640 [0,2,0,0,0,0|1,0,0]=3 1380 B12R0.284 COCC(C)N(CCO)CC(=O)O 269956a_100000747938_100000765312 [0,2,0,0,0,0|0,0,0]=2 1381 B12R0.284 COCC(C)N(CCO)CC(C)O 2230a_100000731851_100000765312 [0,2,0,0,0,0|1,0,1]=4 1382 B12R0.284 COCC(C)N(CCO)CC(C)O 269982a_100000731851_100000765312 [0,2,0,0,0,0|1,0,1]=4 1383 B12R0.401 CCC(CC)N(CCO)CC(=O)O 269956a_100000747938_100000210505 [0,2,0,0,0,0|1,0,0]=3 1384 B12R0.401 O=CC(C=O)N(CCO)CC(=O)O 269956a_100000747938_100011218033 [0,2,0,0,0,0|0,0,2]=4 1385 B12R0.407 CCCN(CC(=O)CC)C(C)CO 269982a_100011303929_100000747405 [0,2,0,0,0,0|2,0,0]=4 1386 B12R0.407 CCCN(CC(=O)NC)C(C)CO 2230a_100011303929_100000183359 [0,2,0,0,0,0|2,0,0]=4 1387 B12R0.407 CCCN(CC(=O)NC)C(C)CO 269982a_100011303929_100000183359 [0,2,0,0,0,0|2,0,0]=4 1388 B12R0.407 CCCN(CC(=O)OC)C(C)CC 2230a_200011216551_100000747449 [0,2,0,0,0,0|2,0,0]=4 1389 B12R0.407 CCCN(CC(=O)OC)C(C)CC 269982a_200011216551_100000747449 [0,2,0,0,0,0|2,0,0]=4 1390 B12R0.407 CCCN(CC(=O)OC)C(C)CO 2230a_100011303929_100000747449 [0,2,0,0,0,0|1,0,0]=3 1391 B12R0.407 CCCN(CC(=O)OC)C(C)CO 269982a_100011303929_100000747449 [0,2,0,0,0,0|1,0,0]=3 1392 B12R0.821 C#CC(C)(C)N(CCO)CC(=O)O 269956a_100000747938_100000038118 [0,2,0,0,0,0|1,0,1]=4 1393 B12R0.821 C#CCN(CC(=O)O)C(F)(F)CO 269956a_100011236498_100011217949 [0,2,0,0,0,0|1,0,1]=4 1394 B12R0.821 C=CC(F)(F)N(CCO)CC(=O)O 269956a_100000747938_100009814244 [0,2,0,0,0,0|1,0,1]=4 1395 B12R0.821 C=CCN(CC(=O)O)C(F)(F)CO 269956a_100000744315_100011217949 [0,2,0,0,0,0|1,0,1]=4 1396 B12R0.821 CCC(C)(C)N(CCO)CC(=O)O 269956a_100000747938_100000032637 [0,2,0,0,0,0|1,0,0]=3 1397 B12R0.821 O=C(O)CN(CCO)C(F)(F)CO 269956a_100000747938_100011217949 [0,2,0,0,0,0|0,0,0]=2 1398 B12R0.10 C#CCN(CCOC)CC(=O)OC 2230a_100000223814_100000747449 [0,2,0,0,0,0|1,0,1]=4 1399 B12R0.10 C#CCN(CCOC)CC(=O)OC 34a_100000223814_100000747449 [0,2,0,0,0,0|1,0,1]=4 1400 B12R0.10 C=C(C#N)CN(CCO)CCCO 2230a_200000212863_100000694840 [0,2,0,0,0,0|2,0,0]=4 1401 B12R0.10 C=C(C#N)CN(CCO)CCCO 269982a_200000212863_100000694840 [0,2,0,0,0,0|2,0,0]=4 1402 B12R0.10 C=CC(O)CN(CCO)CCCO 2230a_200000212863_100000730141 [0,2,0,0,0,0|1,0,1]=4 1403 B12R0.10 CCC(=O)CN(CCO)CCCO 269982a_200000212863_100000747405 [0,2,0,0,0,0|1,0,0]=3 1404 B12R0.10 CCC(O)CN(CCO)CCCO 2230a_200000212863_100011218378 [0,2,0,0,0,0|1,0,1]=4 1405 B12R0.10 CCC(O)CN(CCO)CCCO 269982a_200000212863_100011218378 [0,2,0,0,0,0|1,0,1]=4 1406 B12R0.10 CCCC(CC(=O)OC)OCCO 7a_100000065524_100000211926 [0,2,0,0,0,0|2,0,0]=4 1407 B12R0.10 CCCCN(CCC)CC(=O)OC 2230a_200000207744_100000747449 [0,2,0,0,0,0|2,0,0]=4 1408 B12R0.10 CCCCN(CCC)CC(=O)OC 269982a_200000207744_100000747449 [0,2,0,0,0,0|2,0,0]=4 1409 B12R0.10 CCCCN(CCO)CC(=O)CC 269982a_100000198060_100000747405 [0,2,0,0,0,0|2,0,0]=4 1410 B12R0.10 CCCCN(CCO)CC(=O)NC 2230a_100000198060_100000183359 [0,2,0,0,0,0|2,0,0]=4 1411 B12R0.10 CCCCN(CCO)CC(=O)NC 269982a_100000198060_100000183359 [0,2,0,0,0,0|2,0,0]=4 1412 B12R0.10 CCCCN(CCO)CC(=O)OC 2230a_100000198060_100000747449 [0,2,0,0,0,0|1,0,0]=3 1413 B12R0.10 CCCCN(CCO)CC(=O)OC 269982a_100000198060_100000747449 [0,2,0,0,0,0|1,0,0]=3 1414 B12R0.10 CCCN(CCC#N)CC(=O)OC 2230a_100000176855_100000747449 [0,2,0,0,0,0|2,0,0]=4 1415 B12R0.10 CCCN(CCOC)CC(=O)CC 269982a_200011192371_100000747405 [0,2,0,0,0,0|2,0,0]=4 1416 B12R0.10 CCCN(CCOC)CC(=O)NC 2230a_200011192371_100000183359 [0,2,0,0,0,0|2,0,0]=4 1417 B12R0.10 CCCN(CCOC)CC(=O)NC 269982a_200011192371_100000183359 [0,2,0,0,0,0|2,0,0]=4 1418 B12R0.10 CCCN(CCOC)CC(=O)OC 2230a_200011192371_100000747449 [0,2,0,0,0,0|1,0,0]=3 1419 B12R0.10 CCCN(CCOC)CC(=O)OC 269982a_200011192371_100000747449 [0,2,0,0,0,0|1,0,0]=3 1420 B12R0.10 CNC(=O)CN(CCO)CCCO 2230a_200000212863_100000183359 [0,2,0,0,0,0|1,0,0]=3 1421 B12R0.10 CNC(=O)CN(CCO)CCCO 269982a_200000212863_100000183359 [0,2,0,0,0,0|1,0,0]=3 1422 B12R0.10 COC(=O)CN(CCO)CCCO 2230a_200000212863_100000747449 [0,2,0,0,0,0|0,0,0]=2 1423 B12R0.10 COC(=O)CN(CCO)CCCO 269982a_200000212863_100000747449 [0,2,0,0,0,0|0,0,0]=2 1424 B12R0.10 COCCN(CC#N)CC(=O)OC 2230a_100011199603_100000747449 [0,2,0,0,0,0|1,0,1]=4 1425 B12R0.10 C[C@@H](CO)CN(CCO)CCCO 2230a_200000212863_100000059175 [0,2,0,0,0,0|1,0,1]=4 1426 B12R0.10 C[C@@H](CO)CN(CCO)CCCO 269982a_200000212863_100000059175 [0,2,0,0,0,0|1,0,1]=4 1427 B12R0.10 OCCCN(CCO)CC(O)CO 2230a_200000212863_100011219619 [0,2,0,0,0,0|0,0,2]=4 1428 B12R0.10 OCCCN(CCO)C[C@@H](O)CF 2230a_200000212863_100015614560 [0,2,0,0,0,0|1,0,1]=4 1429 B12R0.10 OCCCN(CCO)C[C@@H](O)CO 2230a_200000212863_100009815848 [0,2,0,0,0,0|0,0,2]=4 1430 B12R0.13 C#CCCN(CCO)C(C)C(=O)O 269956a_100011300695_100000688953 [0,2,0,0,0,0|1,0,0]=3 1431 B12R0.13 C/C=C/CN(CCO)C(C)C(=O)O 269956a_100011300695_100102629194 [0,2,0,0,0,0|1,0,1]=4 1432 B12R0.13 C=CCCN(CCO)C(C)C(=O)O 269956a_100011300695_100000754431 [0,2,0,0,0,0|1,0,0]=3 1433 B12R0.13 CC#CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000748600 [0,2,0,0,0,0|1,0,1]=4 1434 B12R0.13 CC(=O)C(C)N(CCO)CCCO 2230a_200000212863_100009814033 [0,2,0,0,0,0|1,0,0]=3 1435 B12R0.13 CC(=O)C(C)N(CCO)CCCO 269982a_200000212863_100009814033 [0,2,0,0,0,0|1,0,0]=3 1436 B12R0.13 CC(C(=O)N)N(CCO)CCCO 2230a_200000212863_100000702099 [0,2,0,0,0,0|1,0,0]=3 1437 B12R0.13 CC(C(=O)N)N(CCO)CCCO 269982a_200000212863_100000184083 [0,2,0,0,0,0|1,0,0]=3 1438 B12R0.13 CC(C(=O)O)N(CCF)CCC#N 269956a_100011782742_100011217306 [0,2,0,0,0,0|2,0,0]=4 1439 B12R0.13 CC(C(=O)O)N(CCO)CCC#N 269956a_100011300695_100011215226 [0,2,0,0,0,0|1,0,0]=3 1440 B12R0.13 CC(C(=O)O)N(CCO)CCC#N 269956a_100011782742_100000211926 [0,2,0,0,0,0|1,0,0]=3 1441 B12R0.13 CC(C(=O)O)N(CCO)CCCF 269956a_100011300695_100011934791 [0,2,0,0,0,0|1,0,0]=3 1442 B12R0.13 CC(C(=O)O)N(CCO)CCCO 269956a_100011300695_100011215043 [0,2,0,0,0,0|0,0,0]=2 1443 B12R0.13 CC(C(=O)O)N(CCO)CSC#N 269956a_100011300695_100000211825 [0,2,0,0,0,0|1,0,1]=4 1444 B12R0.13 CCCCN(CCO)C(C)C(=O)C 2230a_100000198060_100009814033 [0,2,0,0,0,0|2,0,0]=4 1445 B12R0.13 CCCCN(CCO)C(C)C(=O)C 269982a_100000198060_100009814033 [0,2,0,0,0,0|2,0,0]=4 1446 B12R0.13 CCCCN(CCO)C(C)C(=O)N 2230a_100000198060_100000702099 [0,2,0,0,0,0|2,0,0]=4 1447 B12R0.13 CCCCN(CCO)C(C)C(=O)N 269982a_100000198060_100000184083 [0,2,0,0,0,0|2,0,0]=4 1448 B12R0.13 CCCCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210211 [0,2,0,0,0,0|1,0,0]=3 1449 B12R0.13 CCCCN(CCO)C(F)C(=O)N 2230a_100000198060_100009813875 [0,2,0,0,0,0|2,0,0]=4 1450 B12R0.13 CCCCN(CCO)C(F)C(=O)N 269982a_100000198060_100009813875 [0,2,0,0,0,0|2,0,0]=4 1451 B12R0.13 CCCN(CCC#N)C(C)C(=O)O 269956a_100011782742_100000210207 [0,2,0,0,0,0|2,0,0]=4 1452 B12R0.13 CCCN(CCOC)C(C)C(=O)C 2230a_200011192371_100009814033 [0,2,0,0,0,0|2,0,0]=4 1453 B12R0.13 CCCN(CCOC)C(C)C(=O)C 269982a_200011192371_100009814033 [0,2,0,0,0,0|2,0,0]=4 1454 B12R0.13 CCCN(CCOC)C(C)C(=O)N 2230a_200011192371_100000702099 [0,2,0,0,0,0|2,0,0]=4 1455 B12R0.13 CCCN(CCOC)C(C)C(=O)N 269982a_200011192371_100000184083 [0,2,0,0,0,0|2,0,0]=4 1456 B12R0.13 CCCN(CCOC)C(F)C(=O)N 2230a_200011192371_100009813875 [0,2,0,0,0,0|2,0,0]=4 1457 B12R0.13 CCCN(CCOC)C(F)C(=O)N 269982a_200011192371_100009813875 [0,2,0,0,0,0|2,0,0]=4 1458 B12R0.13 CCOCN(CCO)C(C)C(=O)O 269956a_100011300695_100000739092 [0,2,0,0,0,0|1,0,0]=3 1459 B12R0.13 COCCN(CCO)C(C)C(=O)O 269956a_100011300695_100000233755 [0,2,0,0,0,0|0,0,0]=2 1460 B12R0.13 CSCCN(CCO)C(C)C(=O)O 269956a_100011300695_100000212216 [0,2,0,0,0,0|0,1,0]=3 1461 B12R0.13 NC(=O)C(=O)N(CCO)CCCO 240690a_200000212863_100011215815 [0,2,0,0,0,0|1,0,1]=4 1462 B12R0.13 NC(=O)C(F)N(CCO)CCCO 2230a_200000212863_100009813875 [0,2,0,0,0,0|1,0,0]=3 1463 B12R0.13 NC(=O)C(F)N(CCO)CCCO 269982a_200000212863_100009813875 [0,2,0,0,0,0|1,0,0]=3 1464 B12R0.243 C#CCCN(CCC#N)CC(=O)O 269956a_100011218032_100000688953 [0,2,0,0,0,0|2,0,0]=4 1465 B12R0.243 C=C(C)CN(CCCO)CCCO 2230a_100000212923_100000748629 [0,2,0,0,0,0|2,0,0]=4 1466 B12R0.243 C=C(C)CN(CCCO)CCCO 269982a_100000212923_100000748629 [0,2,0,0,0,0|2,0,0]=4 1467 B12R0.243 C=C(C)CN(CCCO)CCCO 34a_100000212923_100000748629 [0,2,0,0,0,0|2,0,0]=4 1468 B12R0.243 C=C(C)CN(CCOC)CCOC 2230a_100000210589_100000748629 [0,2,0,0,0,0|2,0,0]=4 1469 B12R0.243 C=C(C)CN(CCOC)CCOC 269982a_100000210589_100000748629 [0,2,0,0,0,0|2,0,0]=4 1470 B12R0.243 C=C(F)CN(CCCO)CCCO 2230a_100000212923_100009893438 [0,2,0,0,0,0|2,0,0]=4 1471 B12R0.243 C=C(F)CN(CCCO)CCCO 269982a_100000212923_100009893438 [0,2,0,0,0,0|2,0,0]=4 1472 B12R0.243 C=C(F)CN(CCCO)CCCO 34a_100000212923_100009893438 [0,2,0,0,0,0|2,0,0]=4 1473 B12R0.243 C=C(F)CN(CCOC)CCOC 2230a_100000210589_100009893438 [0,2,0,0,0,0|2,0,0]=4 1474 B12R0.243 C=C(F)CN(CCOC)CCOC 269982a_100000210589_100009893438 [0,2,0,0,0,0|2,0,0]=4 1475 B12R0.243 C=CCCN(CCC#N)CC(=O)O 269956a_100011218032_100000754431 [0,2,0,0,0,0|2,0,0]=4 1476 B12R0.243 C=CCCN(CCOC)CC(=O)N 2230a_100011698344_100000747473 [0,2,0,0,0,0|2,0,0]=4 1477 B12R0.243 C=CCCN(CCOC)CC(=O)N 269982a_100011698344_100000187820 [0,2,0,0,0,0|2,0,0]=4 1478 B12R0.243 C=CCCN(CCOC)CC(=O)[O-] 269982a_100011698344_100020667443 [0,2,0,0,0,0|1,0,1]=4 1479 B12R0.243 CC(O)CN(CCCO)CCCO 2230a_100000212923_100011218427 [0,2,0,0,0,0|1,0,1]=4 1480 B12R0.243 CC(O)CN(CCCO)CCCO 269982a_100000212923_100011218427 [0,2,0,0,0,0|1,0,1]=4 1481 B12R0.243 CC(O)CN(CCCO)CCCO 34a_100000212923_100011218427 [0,2,0,0,0,0|1,0,1]=4 1482 B12R0.243 CCCCN(CCC#N)CC(=O)O 269956a_100011218032_100000210211 [0,2,0,0,0,0|2,0,0]=4 1483 B12R0.243 CCCCN(CCOC)CC(=O)N 2230a_100000207391_100000747473 [0,2,0,0,0,0|2,0,0]=4 1484 B12R0.243 CCCCN(CCOC)CC(=O)N 269982a_100000207391_100000187820 [0,2,0,0,0,0|2,0,0]=4 1485 B12R0.243 CCCCN(CCOC)CC(=O)[O-] 269982a_100000207391_100020667443 [0,2,0,0,0,0|1,0,1]=4 1486 B12R0.243 CCOCN(CCC#N)CC(=O)O 269956a_100011218032_100000739092 [0,2,0,0,0,0|2,0,0]=4 1487 B12R0.243 COCCN(CCC#N)CC(=O)O 269956a_100011218032_100000233755 [0,2,0,0,0,0|1,0,0]=3 1488 B12R0.243 COCCN(CCOC)CC(=O)N 2230a_100000210589_100000747473 [0,2,0,0,0,0|1,0,0]=3 1489 B12R0.243 COCCN(CCOC)CC(=O)N 269982a_100000210589_100000187820 [0,2,0,0,0,0|1,0,0]=3 1490 B12R0.243 COCCN(CCOC)CC(=O)[O-] 269982a_100000210589_100020667443 [0,2,0,0,0,0|0,0,1]=3 1491 B12R0.243 COCCN(CCOC)CC(C)O 2230a_100000210589_100011218427 [0,2,0,0,0,0|1,0,1]=4 1492 B12R0.243 COCCN(CCOC)CC(C)O 269982a_100000210589_100011218427 [0,2,0,0,0,0|1,0,1]=4 1493 B12R0.243 COCCN(CCOC)C[C@@H](C)O 2230a_100000210589_100009817552 [0,2,0,0,0,0|1,0,1]=4 1494 B12R0.243 COCCN(CCOC)C[C@@H](C)O 269982a_100000210589_100009817552 [0,2,0,0,0,0|1,0,1]=4 1495 B12R0.243 COCCN(CCOC)C[N+](=O)[O-] 269982a_100000210589_100000761209 [0,2,0,0,0,0|1,0,1]=4 1496 B12R0.243 CSCCN(CCC#N)CC(=O)O 269956a_100011218032_100000212216 [0,2,0,0,0,0|1,1,0]=4 1497 B12R0.243 C[C@@H](O)CN(CCCO)CCCO 2230a_100000212923_100009817552 [0,2,0,0,0,0|1,0,1]=4 1498 B12R0.243 C[C@@H](O)CN(CCCO)CCCO 269982a_100000212923_100009817552 [0,2,0,0,0,0|1,0,1]=4 1499 B12R0.243 C[C@@H](O)CN(CCCO)CCCO 34a_100000212923_100009817552 [0,2,0,0,0,0|1,0,1]=4 1500 B12R0.243 N#CCCN(CCC#N)CC(=O)O 269956a_100011218032_100011215226 [0,2,0,0,0,0|2,0,0]=4 1501 B12R0.243 N#CCCN(CCCF)CC(=O)O 269956a_100011218032_100011934791 [0,2,0,0,0,0|2,0,0]=4 1502 B12R0.243 N#CCCN(CCCO)CC(=O)O 269956a_100011218032_100011215043 [0,2,0,0,0,0|1,0,0]=3 1503 B12R0.243 NC(=O)CN(CCCO)CCCO 2230a_100000212923_100000747473 [0,2,0,0,0,0|1,0,0]=3 1504 B12R0.243 NC(=O)CN(CCCO)CCCO 269982a_100000212923_100000187820 [0,2,0,0,0,0|1,0,0]=3 1505 B12R0.243 NC(=O)CN(CCCO)CCCO 34a_100000212923_100000187820 [0,2,0,0,0,0|1,0,0]=3 1506 B12R0.243 O=C([O-])CN(CCCO)CCCO 269982a_100000212923_100020667443 [0,2,0,0,0,0|0,0,1]=3 1507 B12R0.243 O=C([O-])CN(CCCO)CCCO 34a_100000212923_100020667443 [0,2,0,0,0,0|0,0,1]=3 1508 B12R0.243 O=[N+]([O-])CN(CCCO)CCCO 269982a_100000212923_100000761209 [0,2,0,0,0,0|1,0,1]=4 1509 B12R0.243 O=[N+]([O-])CN(CCCO)CCCO 34a_100000212923_100000761209 [0,2,0,0,0,0|1,0,1]=4 1510 B12R0.256 C#CCCCN(CCO)CC(=O)O 269956a_100000747938_100011215417 [0,2,0,0,0,0|1,0,0]=3 1511 B12R0.256 C#CCN(CC#CCO)CC(=O)O 269956a_100011236498_200000047223 [0,2,0,0,0,0|1,0,1]=4 1512 B12R0.256 C#CCN(CCCCO)CC(=O)O 269956a_100011236498_100000210776 [0,2,0,0,0,0|1,0,1]=4 1513 B12R0.256 C#CCN(CCCOC)CC(=O)O 269956a_100011236498_100000740836 [0,2,0,0,0,0|1,0,1]=4 1514 B12R0.256 C#CCN(CCOC=C)CC(=O)O 269956a_100011236498_100000039644 [0,2,0,0,0,0|1,0,1]=4 1515 B12R0.256 C#CCN(CCOCC)CC(=O)O 269956a_100011236498_100000210147 [0,2,0,0,0,0|1,0,1]=4 1516 B12R0.256 C=CCCCN(CCO)CC(=O)O 269956a_100000747938_100011713584 [0,2,0,0,0,0|1,0,0]=3 1517 B12R0.256 C=CCN(CC#CCO)CC(=O)O 269956a_100000744315_200000047223 [0,2,0,0,0,0|1,0,1]=4 1518 B12R0.256 C=CCN(CCCCO)CC(=O)O 269956a_100000744315_100000210776 [0,2,0,0,0,0|1,0,1]=4 1519 B12R0.256 C=CCN(CCCOC)CC(=O)O 269956a_100000744315_100000740836 [0,2,0,0,0,0|1,0,1]=4 1520 B12R0.256 C=CCN(CCOC=C)CC(=O)O 269956a_100000744315_100000039644 [0,2,0,0,0,0|1,0,1]=4 1521 B12R0.256 C=CCN(CCOCC)CC(=O)O 269956a_100000744315_100000210147 [0,2,0,0,0,0|1,0,1]=4 1522 B12R0.256 C=COCCN(CCO)CC(=O)O 269956a_100000747938_100000039644 [0,2,0,0,0,0|0,0,0]=2 1523 B12R0.256 C=COCCN(CCO)CC(C)O 2230a_100000731851_100000039644 [0,2,0,0,0,0|1,0,1]=4 1524 B12R0.256 C=COCCN(CCO)CC(C)O 269982a_100000731851_100000039644 [0,2,0,0,0,0|1,0,1]=4 1525 B12R0.256 CC(O)CN(CC#CCO)CCO 2230a_100000731851_200000047223 [0,2,0,0,0,0|1,0,1]=4 1526 B12R0.256 CC(O)CN(CCO)CCCCO 2230a_100000731851_100000210776 [0,2,0,0,0,0|1,0,1]=4 1527 B12R0.256 CC(O)CN(CCO)CCCCO 269982a_100000731851_100000210776 [0,2,0,0,0,0|1,0,1]=4 1528 B12R0.256 CC/C=C\CN(CCO)CC(=O)O 269956a_100000747938_100103147603 [0,2,0,0,0,0|1,0,0]=3 1529 B12R0.256 CCC#CCN(CCO)CC(=O)O 269956a_100000747938_100009813939 [0,2,0,0,0,0|1,0,0]=3 1530 B12R0.256 CCCCCN(CCO)CC(=O)N 2230a_100000224656_100000747473 [0,2,0,0,0,0|2,0,0]=4 1531 B12R0.256 CCCCCN(CCO)CC(=O)N 269982a_100000224656_100000187820 [0,2,0,0,0,0|2,0,0]=4 1532 B12R0.256 CCCCCN(CCO)CC(=O)O 269956a_100000747938_100000210326 [0,2,0,0,0,0|1,0,0]=3 1533 B12R0.256 CCCCCN(CCO)CC(=O)[O-] 269982a_100000224656_100020667443 [0,2,0,0,0,0|1,0,1]=4 1534 B12R0.256 CCOCCN(CCO)CC(=O)O 269956a_100000747938_100000210147 [0,2,0,0,0,0|0,0,0]=2 1535 B12R0.256 CCOCCN(CCO)CC(C)O 2230a_100000731851_100011215890 [0,2,0,0,0,0|1,0,1]=4 1536 B12R0.256 CCOCCN(CCO)CC(C)O 269982a_100000731851_100011215890 [0,2,0,0,0,0|1,0,1]=4 1537 B12R0.256 CCSCCN(CCO)CC(=O)O 269956a_100000747938_100000757381 [0,2,0,0,0,0|0,1,0]=3 1538 B12R0.256 COCCCN(CCO)CC(=O)O 269956a_100000747938_100000740836 [0,2,0,0,0,0|0,0,0]=2 1539 B12R0.256 COCCCN(CCO)CC(C)O 2230a_100000731851_100000740836 [0,2,0,0,0,0|1,0,1]=4 1540 B12R0.256 COCCCN(CCO)CC(C)O 269982a_100000731851_100000740836 [0,2,0,0,0,0|1,0,1]=4 1541 B12R0.256 N#CCCCN(CCO)CC(=O)O 269956a_100000747938_100000687738 [0,2,0,0,0,0|1,0,0]=3 1542 B12R0.256 N#CSCCN(CCO)CC(=O)O 269956a_100000747938_100000034367 [0,2,0,0,0,0|0,1,0]=3 1543 B12R0.256 O=C(O)CN(CC#CCO)CCO 269956a_100000747938_200000047223 [0,2,0,0,0,0|0,0,0]=2 1544 B12R0.256 O=C(O)CN(CCO)CCCCF 269956a_100000747938_100000729493 [0,2,0,0,0,0|1,0,0]=3 1545 B12R0.256 O=C(O)CN(CCO)CCCCO 269956a_100000747938_100000210776 [0,2,0,0,0,0|0,0,0]=2 1546 B12R0.256 O=CCCCN(CCO)CC(=O)O 269956a_100000747938_200011292268 [0,2,0,0,0,0|0,0,1]=3 1547 B12R0.548 COC(C)(C)CN(CCO)CCO 269982a_100000210587_100000701081 [0,2,0,0,0,0|1,0,1]=4 1548 B12R0.163 CCC(=O)C(C)N(CCO)CCO 2230a_100000210587_100000742827 [0,2,0,0,0,0|1,0,0]=3 1549 B12R0.163 CCC(=O)C(C)N(CCO)CCO 269982a_100000210587_100000742827 [0,2,0,0,0,0|1,0,0]=3 1550 B12R0.163 CCCN(CCC)C(C)C(=O)OC 2230a_100000210455_100000211248 [0,2,0,0,0,0|2,0,0]=4 1551 B12R0.163 CCCN(CCC)C(C)C(=O)OC 269982a_100000210455_100000211248 [0,2,0,0,0,0|2,0,0]=4 1552 B12R0.163 CCCN(CCO)C(=O)C(=O)OC 240690a_100000211420_100000024059 [0,2,0,0,0,0|1,0,1]=4 1553 B12R0.163 CCCN(CCO)C(C)C(=O)CC 2230a_100000211420_100000742827 [0,2,0,0,0,0|2,0,0]=4 1554 B12R0.163 CCCN(CCO)C(C)C(=O)CC 269982a_100000211420_100000742827 [0,2,0,0,0,0|2,0,0]=4 1555 B12R0.163 CCCN(CCO)C(C)C(=O)NC 2230a_100000211420_100000731044 [0,2,0,0,0,0|2,0,0]=4 1556 B12R0.163 CCCN(CCO)C(C)C(=O)NC 269982a_100000211420_100000209862 [0,2,0,0,0,0|2,0,0]=4 1557 B12R0.163 CCCN(CCO)C(C)C(=O)OC 2230a_100000211420_100000211248 [0,2,0,0,0,0|1,0,0]=3 1558 B12R0.163 CCCN(CCO)C(C)C(=O)OC 269982a_100000211420_100000211248 [0,2,0,0,0,0|1,0,0]=3 1559 B12R0.163 CCCN(CCO)C(F)C(=O)NC 2230a_100000211420_100009813575 [0,2,0,0,0,0|2,0,0]=4 1560 B12R0.163 CCCN(CCO)C(F)C(=O)NC 269982a_100000211420_100009813575 [0,2,0,0,0,0|2,0,0]=4 1561 B12R0.163 CNC(=O)C(=O)N(CCO)CCO 240690a_100000210587_100011218921 [0,2,0,0,0,0|1,0,1]=4 1562 B12R0.163 CNC(=O)C(C)N(CCO)CCO 2230a_100000210587_100000731044 [0,2,0,0,0,0|1,0,0]=3 1563 B12R0.163 CNC(=O)C(C)N(CCO)CCO 240690a_100102657272_100011435932 [0,2,0,0,0,0|1,0,0]=3 1564 B12R0.163 CNC(=O)C(C)N(CCO)CCO 269982a_100000210587_100000209862 [0,2,0,0,0,0|1,0,0]=3 1565 B12R0.163 CNC(=O)C(F)N(CCO)CCO 2230a_100000210587_100009813575 [0,2,0,0,0,0|1,0,0]=3 1566 B12R0.163 CNC(=O)C(F)N(CCO)CCO 269982a_100000210587_100009813575 [0,2,0,0,0,0|1,0,0]=3 1567 B12R0.163 COC(=O)C(=O)N(CCO)CCO 240690a_100000210587_100000024059 [0,2,0,0,0,0|0,0,1]=3 1568 B12R0.163 COC(=O)C(C)N(CCO)CCO 2230a_100000210587_100000211248 [0,2,0,0,0,0|0,0,0]=2 1569 B12R0.163 COC(=O)C(C)N(CCO)CCO 269982a_100000210587_100000211248 [0,2,0,0,0,0|0,0,0]=2 1570 B12R0.165 CC(=O)C(C)(C)N(CCO)CCO 269982a_100000210587_100000075568 [0,2,0,0,0,0|1,0,0]=3 1571 B12R0.165 CC(C)(C(=O)N)N(CCO)CCO 2230a_100000210587_100000702505 [0,2,0,0,0,0|1,0,0]=3 1572 B12R0.165 CC(C)(C(=O)N)N(CCO)CCO 269982a_100000210587_100000702505 [0,2,0,0,0,0|1,0,0]=3 1573 B12R0.165 CC(C)(N(CCO)CCO)[N+](=O)[O-] 269982a_100000210587_200009813997 [0,2,0,0,0,0|1,0,1]=4 1574 B12R0.165 CCCN(CCO)C(C)(C)C(=O)C 269982a_100000211420_100000075568 [0,2,0,0,0,0|2,0,0]=4 1575 B12R0.165 CCCN(CCO)C(C)(C)C(=O)N 2230a_100000211420_100000702505 [0,2,0,0,0,0|2,0,0]=4 1576 B12R0.165 CCCN(CCO)C(C)(C)C(=O)N 269982a_100000211420_100000702505 [0,2,0,0,0,0|2,0,0]=4 1577 B12R0.165 CCCN(CCO)C(F)(F)C(=O)N 269982a_100000211420_100009811971 [0,2,0,0,0,0|2,0,0]=4 1578 B12R0.165 CCCN(CCO)C(F)(F)C(=O)[O-] 269982a_100000211420_100000745680 [0,2,0,0,0,0|1,0,1]=4 1579 B12R0.165 NC(=O)C(F)(F)N(CCO)CCO 269982a_100000210587_100009811971 [0,2,0,0,0,0|1,0,0]=3 1580 B12R0.165 O=C([O-])C(F)(F)N(CCO)CCO 269982a_100000210587_100000745680 [0,2,0,0,0,0|0,0,1]=3 1581 B12R0.549 CCC(C(=O)N)N(CCO)CCO 2230a_100000210587_100000750255 [0,2,0,0,0,0|1,0,0]=3 1582 B12R0.549 CCC(C(=O)N)N(CCO)CCO 269982a_100000210587_100000750255 [0,2,0,0,0,0|1,0,0]=3 1583 B12R0.549 CCCN(CCO)C(CC)C(=O)N 2230a_100000211420_100000750255 [0,2,0,0,0,0|2,0,0]=4 1584 B12R0.549 CCCN(CCO)C(CC)C(=O)N 269982a_100000211420_100000750255 [0,2,0,0,0,0|2,0,0]=4 1585 B12R0.22 C=COC(=O)CN(CCC)CCC 2230a_100000210455_100000036128 [0,2,0,0,0,0|2,0,0]=4 1586 B12R0.22 C=COC(=O)CN(CCC)CCC 269982a_100000210455_100000036128 [0,2,0,0,0,0|2,0,0]=4 1587 B12R0.22 C=COC(=O)CN(CCC)CCO 2230a_100000211420_100000036128 [0,2,0,0,0,0|1,0,0]=3 1588 B12R0.22 C=COC(=O)CN(CCC)CCO 269982a_100000211420_100000036128 [0,2,0,0,0,0|1,0,0]=3 1589 B12R0.22 C=COC(=O)CN(CCO)CCO 2230a_100000210587_100000036128 [0,2,0,0,0,0|0,0,0]=2 1590 B12R0.22 C=COC(=O)CN(CCO)CCO 269982a_100000210587_100000036128 [0,2,0,0,0,0|0,0,0]=2 1591 B12R0.22 CCCC(=O)CN(CCC)CCO 2230a_100000211420_100000747444 [0,2,0,0,0,0|2,0,0]=4 1592 B12R0.22 CCCC(=O)CN(CCC)CCO 269982a_100000211420_100000747444 [0,2,0,0,0,0|2,0,0]=4 1593 B12R0.22 CCCC(=O)CN(CCO)CCO 2230a_100000210587_100000747444 [0,2,0,0,0,0|1,0,0]=3 1594 B12R0.22 CCCC(=O)CN(CCO)CCO 269982a_100000210587_100000747444 [0,2,0,0,0,0|1,0,0]=3 1595 B12R0.22 CCCN(CCC)CC(=O)CCO 1458a_200011243382_100000211926 [0,2,0,0,0,0|2,0,0]=4 1596 B12R0.22 CCCN(CCC)CC(=O)NCO 2230a_100000210455_100000185155 [0,2,0,0,0,0|2,0,0]=4 1597 B12R0.22 CCCN(CCC)CC(=O)NCO 269982a_100000210455_100000185155 [0,2,0,0,0,0|2,0,0]=4 1598 B12R0.22 CCCN(CCC)CC(=O)OCC 2230a_100000210455_100000188475 [0,2,0,0,0,0|2,0,0]=4 1599 B12R0.22 CCCN(CCC)CC(=O)OCC 2230a_100000221057_100000210303 [0,2,0,0,0,0|2,0,0]=4 1600 B12R0.22 CCCN(CCC)CC(=O)OCC 269982a_100000210455_100000188475 [0,2,0,0,0,0|2,0,0]=4 1601 B12R0.22 CCCN(CCC)CC(=O)OCC 269982a_100000221057_100000210303 [0,2,0,0,0,0|2,0,0]=4 1602 B12R0.22 CCCN(CCF)CC(=O)OCC 2230a_100000221057_100011217306 [0,2,0,0,0,0|2,0,0]=4 1603 B12R0.22 CCCN(CCF)CC(=O)OCC 269982a_100000221057_100011217306 [0,2,0,0,0,0|2,0,0]=4 1604 B12R0.22 CCCN(CCO)CC(=O)NCC 2230a_100000211420_100000183381 [0,2,0,0,0,0|2,0,0]=4 1605 B12R0.22 CCCN(CCO)CC(=O)NCC 269982a_100000211420_100000183381 [0,2,0,0,0,0|2,0,0]=4 1606 B12R0.22 CCCN(CCO)CC(=O)NCO 2230a_100000211420_100000185155 [0,2,0,0,0,0|1,0,0]=3 1607 B12R0.22 CCCN(CCO)CC(=O)NCO 269982a_100000211420_100000185155 [0,2,0,0,0,0|1,0,0]=3 1608 B12R0.22 CCCN(CCO)CC(=O)OCC 2230a_100000211420_100000188475 [0,2,0,0,0,0|1,0,0]=3 1609 B12R0.22 CCCN(CCO)CC(=O)OCC 2230a_100000221057_100000211926 [0,2,0,0,0,0|1,0,0]=3 1610 B12R0.22 CCCN(CCO)CC(=O)OCC 269982a_100000211420_100000188475 [0,2,0,0,0,0|1,0,0]=3 1611 B12R0.22 CCCN(CCO)CC(=O)OCC 269982a_100000221057_100000211926 [0,2,0,0,0,0|1,0,0]=3 1612 B12R0.22 CCNC(=O)CN(CCO)CCO 2230a_100000210587_100000183381 [0,2,0,0,0,0|1,0,0]=3 1613 B12R0.22 CCNC(=O)CN(CCO)CCO 269982a_100000210587_100000183381 [0,2,0,0,0,0|1,0,0]=3 1614 B12R0.22 CCOC(=O)CN(CCO)CCO 2230a_100000210587_100000188475 [0,2,0,0,0,0|0,0,0]=2 1615 B12R0.22 CCOC(=O)CN(CCO)CCO 269982a_100000210587_100000188475 [0,2,0,0,0,0|0,0,0]=2 1616 B12R0.22 N#CC[C@H](O)CN(CCO)CCO 2230a_100000210587_100000001066 [0,2,0,0,0,0|1,0,1]=4 1617 B12R0.22 O=C(CN(CCO)CCO)NCO 2230a_100000210587_100000185155 [0,2,0,0,0,0|0,0,0]=2 1618 B12R0.22 O=C(CN(CCO)CCO)NCO 269982a_100000210587_100000185155 [0,2,0,0,0,0|0,0,0]=2 1619 B12R0.162 COC(CN(CCO)CCO)OC 2230a_100000210587_100000751394 [0,2,0,0,0,0|0,0,2]=4 1620 B12R0.162 COC(CN(CCO)CCO)OC 270004a_100000210587_100000752162 [0,2,0,0,0,0|0,0,2]=4 1621 B10R1.10 C#CCN1CCOC(=O)C1 2230a_100000131268_100000038162 [1,0,0,1,0,0|1,0,1]=4 1622 B10R1.10 C=CCN1CCOC(=O)C1 2230a_100000131268_100000210623 [1,0,0,1,0,0|1,0,1]=4 1623 B10R1.10 CC1=CCCN(C1)CCO 2230a_100000725631_100000211926 [1,0,0,1,0,0|2,0,0]=4 1624 B10R1.10 CC1=CCCN(C1)CCO 269982a_100000725631_100000211926 [1,0,0,1,0,0|2,0,0]=4 1625 B10R1.10 CC1=CCCN(C1)CCO 34a_100000725631_100000211926 [1,0,0,1,0,0|2,0,0]=4 1626 B10R1.10 CC1CN(CCO1)CCO 2230a_100000729577_100000211926 [1,0,0,1,0,0|1,0,1]=4 1627 B10R1.10 CC1CN(CCO1)CCO 269982a_100000729577_100000211926 [1,0,0,1,0,0|1,0,1]=4 1628 B10R1.10 CC1CN(CCO1)CCO 34a_100000729577_100000211926 [1,0,0,1,0,0|1,0,1]=4 1629 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 1630 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|1,0,0]=3 1631 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [1,0,0,1,0,0|2,0,0]=4 1632 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [1,0,0,1,0,0|2,0,0]=4 1633 B10R1.10 N#CCN1CCOC(=O)C1 2230a_100000131268_100011215382 [1,0,0,1,0,0|1,0,1]=4 1634 B10R1.10 O=C1CN(CCN1)CCF 2230a_100000184651_100011217306 [1,0,0,1,0,0|2,0,0]=4 1635 B10R1.10 O=C1CN(CCN1)CCO 2230a_100000184651_100000211926 [1,0,0,1,0,0|1,0,0]=3 1636 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [1,0,0,1,0,0|1,0,0]=3 1637 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [1,0,0,1,0,0|0,0,0]=2 1638 B10R1.10 O=CCN1CCOC(=O)C1 2230a_100000131268_200015260668 [1,0,0,1,0,0|0,0,2]=4 1639 B10R1.10 OCCN1CCCC(C1)O 2230a_100000211013_100000211926 [1,0,0,1,0,0|1,0,1]=4 1640 B10R1.10 OCCN1CCCC(C1)O 269982a_100000211013_100000211926 [1,0,0,1,0,0|1,0,1]=4 1641 B10R1.10 OCCN1CCOC(C1)O 2230a_100000688207_100000211926 [1,0,0,1,0,0|0,0,2]=4 1642 B10R1.10 OCCN1CCOC(C1)O 269982a_100000688207_100000211926 [1,0,0,1,0,0|0,0,2]=4 1643 B10R1.18 C=C(C)CN1CCOCC1 2230a_100015191051_100000748629 [1,0,0,1,0,0|2,0,0]=4 1644 B10R1.18 C=C(C)CN1CCOCC1 269982a_100015191051_100000748629 [1,0,0,1,0,0|2,0,0]=4 1645 B10R1.18 C=C(C)CN1CCOCC1 34a_100015191051_100000748629 [1,0,0,1,0,0|2,0,0]=4 1646 B10R1.18 C=C(F)CN1CCOCC1 2230a_100015191051_100009893438 [1,0,0,1,0,0|2,0,0]=4 1647 B10R1.18 C=C(F)CN1CCOCC1 269982a_100015191051_100009893438 [1,0,0,1,0,0|2,0,0]=4 1648 B10R1.18 C=C(F)CN1CCOCC1 34a_100015191051_100009893438 [1,0,0,1,0,0|2,0,0]=4 1649 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,1,0,0|2,0,0]=4 1650 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,1,0,0|2,0,0]=4 1651 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,1,0,0|2,0,0]=4 1652 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [1,0,0,1,0,0|1,0,0]=3 1653 B10R1.18 CC(O)CN1CCOCC1 2230a_100015191051_100011218427 [1,0,0,1,0,0|1,0,1]=4 1654 B10R1.18 CC(O)CN1CCOCC1 269982a_100015191051_100011218427 [1,0,0,1,0,0|1,0,1]=4 1655 B10R1.18 CC(O)CN1CCOCC1 34a_100015191051_100011218427 [1,0,0,1,0,0|1,0,1]=4 1656 B10R1.18 C[C@@H](O)CN1CCOCC1 2230a_100015191051_100009817552 [1,0,0,1,0,0|1,0,1]=4 1657 B10R1.18 C[C@@H](O)CN1CCOCC1 269982a_100015191051_100009817552 [1,0,0,1,0,0|1,0,1]=4 1658 B10R1.18 C[C@@H](O)CN1CCOCC1 34a_100015191051_100009817552 [1,0,0,1,0,0|1,0,1]=4 1659 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [1,0,0,1,0,0|2,0,0]=4 1660 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [1,0,0,1,0,0|2,0,0]=4 1661 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [1,0,0,1,0,0|2,0,0]=4 1662 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [1,0,0,1,0,0|1,0,0]=3 1663 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [1,0,0,1,0,0|1,0,0]=3 1664 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [1,0,0,1,0,0|1,0,0]=3 1665 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [1,0,0,1,0,0|1,1,0]=4 1666 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [1,0,0,1,0,0|1,1,0]=4 1667 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [1,0,0,1,0,0|1,0,1]=4 1668 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [1,0,0,1,0,0|1,0,1]=4 1669 B10R1.18 O=C([O-])CN1CCOCC1 269982a_100015191051_100020667443 [1,0,0,1,0,0|0,0,1]=3 1670 B10R1.18 O=C([O-])CN1CCOCC1 34a_100015191051_100020667443 [1,0,0,1,0,0|0,0,1]=3 1671 B10R1.18 O=C([O-])CN1CCSCC1 269982a_100000737611_100020667443 [1,0,0,1,0,0|0,1,1]=4 1672 B10R1.18 O=[N+]([O-])CN1CCOCC1 269982a_100015191051_100000761209 [1,0,0,1,0,0|1,0,1]=4 1673 B10R1.18 O=[N+]([O-])CN1CCOCC1 34a_100015191051_100000761209 [1,0,0,1,0,0|1,0,1]=4 1674 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,1,0,0|2,0,0]=4 1675 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,1,0,0|2,0,0]=4 1676 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [1,0,0,1,0,0|1,0,0]=3 1677 B10R1.32 CCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210202 [1,0,0,1,0,0|1,0,1]=4 1678 B10R1.32 CCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000204670 [1,0,0,1,0,0|1,0,1]=4 1679 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [1,0,0,1,0,0|1,0,1]=4 1680 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|2,0,0]=4 1681 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|2,0,0]=4 1682 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,1,0,0|2,0,0]=4 1683 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|1,0,0]=3 1684 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [1,0,0,1,0,0|0,1,0]=3 1685 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [1,0,0,1,0,0|2,0,0]=4 1686 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [1,0,0,1,0,0|1,1,0]=4 1687 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,1,0,0|2,0,0]=4 1688 B10R1.54 C=C(C)CN1CCC(C1)O 2230a_100011215560_100000748629 [1,0,0,1,0,0|2,0,0]=4 1689 B10R1.54 C=C(C)CN1CCC(C1)O 269982a_100011215560_100000748629 [1,0,0,1,0,0|2,0,0]=4 1690 B10R1.54 C=C(F)CN1CCC(C1)O 2230a_100011215560_100009893438 [1,0,0,1,0,0|2,0,0]=4 1691 B10R1.54 C=C(F)CN1CCC(C1)O 269982a_100011215560_100009893438 [1,0,0,1,0,0|2,0,0]=4 1692 B10R1.54 CC(O)CN1CCC(C1)O 2230a_100011215560_100011218427 [1,0,0,1,0,0|1,0,1]=4 1693 B10R1.54 CC(O)CN1CCC(C1)O 269982a_100011215560_100011218427 [1,0,0,1,0,0|1,0,1]=4 1694 B10R1.54 C[C@@H](O)CN1CCC(C1)O 2230a_100011215560_100009817552 [1,0,0,1,0,0|1,0,1]=4 1695 B10R1.54 C[C@@H](O)CN1CCC(C1)O 269982a_100011215560_100009817552 [1,0,0,1,0,0|1,0,1]=4 1696 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 2230a_100016987628_100000747473 [1,0,0,1,0,0|2,0,0]=4 1697 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 269982a_100016987628_100000187820 [1,0,0,1,0,0|2,0,0]=4 1698 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 34a_100016987628_100000187820 [1,0,0,1,0,0|2,0,0]=4 1699 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016987628_100020667443 [1,0,0,1,0,0|1,0,1]=4 1700 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 34a_100016987628_100020667443 [1,0,0,1,0,0|1,0,1]=4 1701 B10R1.54 NC(=O)CN1CCC(C1)O 2230a_100011215560_100000747473 [1,0,0,1,0,0|1,0,0]=3 1702 B10R1.54 NC(=O)CN1CCC(C1)O 269982a_100011215560_100000187820 [1,0,0,1,0,0|1,0,0]=3 1703 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747473 [1,0,0,1,0,0|2,0,0]=4 1704 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000187820 [1,0,0,1,0,0|2,0,0]=4 1705 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000187820 [1,0,0,1,0,0|2,0,0]=4 1706 B10R1.54 O=C([O-])CN1CCC(C1)O 269982a_100011215560_100020667443 [1,0,0,1,0,0|0,0,1]=3 1707 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 269982a_100015203821_100020667443 [1,0,0,1,0,0|1,0,1]=4 1708 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 34a_100015203821_100020667443 [1,0,0,1,0,0|1,0,1]=4 1709 B10R1.54 O=[N+]([O-])CN1CCC(C1)O 269982a_100011215560_100000761209 [1,0,0,1,0,0|1,0,1]=4 1710 B10R1.64 CC1SCCN1CC(=O)N 2230a_200011216479_100000747473 [1,0,0,1,0,0|1,1,0]=4 1711 B10R1.64 CC1SCCN1CC(=O)N 269982a_200011216479_100000187820 [1,0,0,1,0,0|1,1,0]=4 1712 B10R1.64 CC1SCCN1CC(=O)N 34a_200011216479_100000187820 [1,0,0,1,0,0|1,1,0]=4 1713 B10R1.64 CC1SCCN1CC(=O)[O-] 269982a_200011216479_100020667443 [1,0,0,1,0,0|0,1,1]=4 1714 B10R1.64 CC1SCCN1CC(=O)[O-] 34a_200011216479_100020667443 [1,0,0,1,0,0|0,1,1]=4 1715 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [1,0,0,1,0,0|2,0,0]=4 1716 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 1717 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 1718 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [1,0,0,1,0,0|1,0,1]=4 1719 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [1,0,0,1,0,0|1,0,1]=4 1720 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [1,0,0,1,0,0|2,0,0]=4 1721 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [1,0,0,1,0,0|2,0,0]=4 1722 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [1,0,0,1,0,0|1,0,1]=4 1723 B10R1.69 CCN(CCO)CC1CO1 2230a_100000210973_100011216344 [1,0,0,1,0,0|1,0,1]=4 1724 B10R1.69 CCN(CCO)CC1CO1 269982a_100000210973_102125554688 [1,0,0,1,0,0|1,0,1]=4 1725 B10R1.69 CCN(CCO)C[C@@H]1CO1 269982a_100000210973_100000745022 [1,0,0,1,0,0|1,0,1]=4 1726 B10R1.80 C=C(C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000748629 [1,0,0,1,0,0|2,0,0]=4 1727 B10R1.80 C=C(C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000748629 [1,0,0,1,0,0|2,0,0]=4 1728 B10R1.80 C=C(F)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009893438 [1,0,0,1,0,0|2,0,0]=4 1729 B10R1.80 C=C(F)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009893438 [1,0,0,1,0,0|2,0,0]=4 1730 B10R1.80 CC(O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218427 [1,0,0,1,0,0|1,0,1]=4 1731 B10R1.80 CC(O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218427 [1,0,0,1,0,0|1,0,1]=4 1732 B10R1.80 C[C@@H](O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009817552 [1,0,0,1,0,0|1,0,1]=4 1733 B10R1.80 C[C@@H](O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009817552 [1,0,0,1,0,0|1,0,1]=4 1734 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 2230a_206633788156_100000747473 [1,0,0,1,0,0|1,0,0]=3 1735 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 269982a_206633788156_100000187820 [1,0,0,1,0,0|1,0,0]=3 1736 B10R1.80 C[C@H]1[C@H](CN1CC(=O)[O-])O 269982a_206633788156_100020667443 [1,0,0,1,0,0|0,0,1]=3 1737 B10R1.80 C[C@H]1[C@H](CN1C[N+](=O)[O-])O 269982a_206633788156_100000761209 [1,0,0,1,0,0|1,0,1]=4 1738 B10R1.86 C#CCN1CCC1C(=O)O 269956a_100000021838_100000184674 [1,0,0,1,0,0|1,0,1]=4 1739 B10R1.86 C=CCN1CCC1C(=O)O 269956a_100000021838_100000210623 [1,0,0,1,0,0|1,0,1]=4 1740 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|1,0,0]=3 1741 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [1,0,0,1,0,0|2,0,0]=4 1742 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [1,0,0,1,0,0|2,0,0]=4 1743 B10R1.86 N#CCN1CCC1C(=O)O 269956a_100000021838_100011215382 [1,0,0,1,0,0|1,0,1]=4 1744 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [1,0,0,1,0,0|1,0,0]=3 1745 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [1,0,0,1,0,0|0,0,0]=2 1746 B10R1.86 O=CCN1CCC1C(=O)O 269956a_100000021838_200015260668 [1,0,0,1,0,0|0,0,2]=4 1747 B10R1.95 CC1(CCN(C1)CCO)O 2230a_100000718628_100000211926 [1,0,0,1,0,0|1,0,1]=4 1748 B10R1.95 CC1(CCN(C1)CCO)O 269982a_100000718628_100000211926 [1,0,0,1,0,0|1,0,1]=4 1749 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [1,0,0,1,0,0|2,0,0]=4 1750 B10R1.162 CCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210202 [1,0,0,1,0,0|1,0,1]=4 1751 B10R1.162 CCN1CCOC[C@@H](C1)O 269982a_100016073750_100000204670 [1,0,0,1,0,0|1,0,1]=4 1752 B10R1.374 CCN(CC(=O)N)C1CC1 2230a_100000738653_100000747473 [1,0,0,1,0,0|2,0,0]=4 1753 B10R1.374 CCN(CC(=O)N)C1CC1 269982a_100000738653_100000187820 [1,0,0,1,0,0|2,0,0]=4 1754 B10R1.374 CCN(CC(=O)O)C1CC1 269956a_100000746405_100000211595 [1,0,0,1,0,0|1,0,0]=3 1755 B10R1.374 CCN(CC(=O)[O-])C1CC1 269982a_100000738653_100020667443 [1,0,0,1,0,0|1,0,1]=4 1756 B10R1.374 O=C([O-])CN(CO)C1CC1 269956a_100016989150_100000211595 [1,0,0,1,0,0|1,0,1]=4 1757 B10R1.5 C=CCN1CCC[C@@H]1CO 2230a_100000745186_100000210623 [1,0,0,1,0,0|2,0,0]=4 1758 B10R1.5 C=CCN1CCC[C@@H]1CO 269982a_100000745186_100000210623 [1,0,0,1,0,0|2,0,0]=4 1759 B10R1.5 C=CCN1CCC[C@@H]1CO 34a_100000745186_100015514636 [1,0,0,1,0,0|2,0,0]=4 1760 B10R1.5 CCC1C=CCN1CCO 2230a_100000730860_100000211926 [1,0,0,1,0,0|2,0,0]=4 1761 B10R1.5 CCC1C=CCN1CCO 269982a_100000730860_100000211926 [1,0,0,1,0,0|2,0,0]=4 1762 B10R1.5 CCC1C=CCN1CCO 34a_100000730860_100000211926 [1,0,0,1,0,0|2,0,0]=4 1763 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [1,0,0,1,0,0|2,0,0]=4 1764 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [1,0,0,1,0,0|2,0,0]=4 1765 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [1,0,0,1,0,0|2,0,0]=4 1766 B10R1.5 O=CCN1CCC[C@@H]1CO 2230a_100000745186_200015260668 [1,0,0,1,0,0|1,0,0]=3 1767 B10R1.5 O=CCN1CCC[C@@H]1CO 269982a_100000745186_200015260668 [1,0,0,1,0,0|1,0,0]=3 1768 B10R1.5 O=CCN1CCC[C@@H]1CO 34a_100000745186_200009817547 [1,0,0,1,0,0|1,0,0]=3 1769 B10R1.5 OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211926 [1,0,0,1,0,0|1,0,1]=4 1770 B10R1.5 OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211926 [1,0,0,1,0,0|1,0,1]=4 1771 B10R1.5 OCCN1CCC[C@@H]1CO 34a_100000745186_100000211926 [1,0,0,1,0,0|1,0,1]=4 1772 B10R1.85 C=CCN1CCCOCC1 2230a_100000685342_100000210623 [1,0,0,1,0,0|2,0,0]=4 1773 B10R1.85 C=CCN1CCCOCC1 269982a_100000685342_100000210623 [1,0,0,1,0,0|2,0,0]=4 1774 B10R1.85 C=CCN1CCCOCC1 34a_100000685342_100015514636 [1,0,0,1,0,0|2,0,0]=4 1775 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [1,0,0,1,0,0|2,0,0]=4 1776 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [1,0,0,1,0,0|2,0,0]=4 1777 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [1,0,0,1,0,0|2,0,0]=4 1778 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [1,0,0,1,0,0|1,0,0]=3 1779 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [1,0,0,1,0,0|1,0,0]=3 1780 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [1,0,0,1,0,0|1,0,0]=3 1781 B10R1.85 OCCN1CCCOCC1 2230a_100000685342_100000211926 [1,0,0,1,0,0|1,0,1]=4 1782 B10R1.85 OCCN1CCCOCC1 269982a_100000685342_100000211926 [1,0,0,1,0,0|1,0,1]=4 1783 B10R1.85 OCCN1CCCOCC1 34a_100000685342_100000211926 [1,0,0,1,0,0|1,0,1]=4 1784 B10R1.131 C#CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000038162 [1,0,0,1,0,0|1,0,1]=4 1785 B10R1.131 C=CCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210623 [1,0,0,1,0,0|2,0,0]=4 1786 B10R1.131 C=CCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000210623 [1,0,0,1,0,0|2,0,0]=4 1787 B10R1.131 C=CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210623 [1,0,0,1,0,0|2,0,0]=4 1788 B10R1.131 C=CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210623 [1,0,0,1,0,0|2,0,0]=4 1789 B10R1.131 C=CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210623 [1,0,0,1,0,0|1,0,0]=3 1790 B10R1.131 C=CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210623 [1,0,0,1,0,0|1,0,0]=3 1791 B10R1.131 CCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210303 [1,0,0,1,0,0|1,0,1]=4 1792 B10R1.131 CCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210303 [1,0,0,1,0,0|1,0,1]=4 1793 B10R1.131 COCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000766300 [1,0,0,1,0,0|2,0,0]=4 1794 B10R1.131 COCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000766300 [1,0,0,1,0,0|2,0,0]=4 1795 B10R1.131 CSCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011218213 [1,0,0,1,0,0|2,0,0]=4 1796 B10R1.131 CSCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011218213 [1,0,0,1,0,0|2,0,0]=4 1797 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CC=O 2230a_200015306588_200015260668 [1,0,0,1,0,0|1,0,0]=3 1798 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CC=O 269982a_200015306588_200015260668 [1,0,0,1,0,0|1,0,0]=3 1799 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCO 2230a_200015306588_100000211926 [1,0,0,1,0,0|1,0,1]=4 1800 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCO 269982a_200015306588_100000211926 [1,0,0,1,0,0|1,0,1]=4 1801 B10R1.131 N#CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011215382 [1,0,0,1,0,0|1,0,1]=4 1802 B10R1.131 N#CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011214920 [1,0,0,1,0,0|1,0,1]=4 1803 B10R1.131 O=CCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200015260668 [1,0,0,1,0,0|1,0,0]=3 1804 B10R1.131 O=CCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200015260668 [1,0,0,1,0,0|1,0,0]=3 1805 B10R1.131 O=CCN1C[C@H]([C@H](C1)F)F 269982a_100103146936_200015260668 [1,0,0,1,0,0|2,0,0]=4 1806 B10R1.131 O=CCN1C[C@H]([C@H](C1)F)F 34a_100103146936_200009817547 [1,0,0,1,0,0|2,0,0]=4 1807 B10R1.131 O=CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_200015260668 [1,0,0,1,0,0|0,0,0]=2 1808 B10R1.131 O=CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_200015260668 [1,0,0,1,0,0|0,0,0]=2 1809 B10R1.131 OCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000211926 [1,0,0,1,0,0|1,0,1]=4 1810 B10R1.131 OCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000211926 [1,0,0,1,0,0|1,0,1]=4 1811 B10R1.131 OCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000211926 [1,0,0,1,0,0|0,0,1]=3 1812 B10R1.131 OCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000211926 [1,0,0,1,0,0|0,0,1]=3 1813 B10R1.131 O[C@@H]1CN(C[C@@H]1O)CCF 2230a_100015207562_100011217306 [1,0,0,1,0,0|1,0,1]=4 1814 B10R1.131 O[C@@H]1CN(C[C@@H]1O)CCF 269982a_100015207562_100011217306 [1,0,0,1,0,0|1,0,1]=4 1815 B10R1.397 C=CCN(CCO)C1CC1 2230a_100000738766_100000210623 [1,0,0,1,0,0|2,0,0]=4 1816 B10R1.397 C=CCN(CCO)C1CC1 269982a_100000738766_100000210623 [1,0,0,1,0,0|2,0,0]=4 1817 B10R1.397 C=CCN(CCO)C1CC1 34a_100000738766_100015514636 [1,0,0,1,0,0|2,0,0]=4 1818 B10R1.397 CCCN(CC=O)C1CC1 2230a_100000765834_200015260668 [1,0,0,1,0,0|2,0,0]=4 1819 B10R1.397 CCCN(CC=O)C1CC1 269982a_100000765834_200015260668 [1,0,0,1,0,0|2,0,0]=4 1820 B10R1.397 O=CCN(CCO)C1CC1 2230a_100000738766_200015260668 [1,0,0,1,0,0|1,0,0]=3 1821 B10R1.397 O=CCN(CCO)C1CC1 269982a_100000738766_200015260668 [1,0,0,1,0,0|1,0,0]=3 1822 B10R1.397 O=CCN(CCO)C1CC1 34a_100000738766_200009817547 [1,0,0,1,0,0|1,0,0]=3 1823 B10R1.397 OCCN(CCO)C1CC1 2230a_100000738766_100000211926 [1,0,0,1,0,0|1,0,1]=4 1824 B10R1.397 OCCN(CCO)C1CC1 269982a_100000210587_100000211595 [1,0,0,1,0,0|1,0,1]=4 1825 B10R1.397 OCCN(CCO)C1CC1 269982a_100000738766_100000211926 [1,0,0,1,0,0|1,0,1]=4 1826 B10R1.397 OCCN(CCO)C1CC1 34a_100000738766_100000211926 [1,0,0,1,0,0|1,0,1]=4 1827 B10R1.58 CC(=O)N1C[C@@H]([C@H](C1)F)O 11a_100020590056_100015343762 [0,0,0,1,1,0|2,0,0]=4 1828 B10R1.58 CC(=O)N1C[C@@H]([C@H](C1)F)O 240690a_100020590056_100015343762 [0,0,0,1,1,0|2,0,0]=4 1829 B10R1.58 CC(=O)N1C[C@@H]([C@H](C1)F)O 527a_100020590056_100103153847 [0,0,0,1,1,0|2,0,0]=4 1830 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,0,0,1,1,0|2,0,0]=4 1831 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,0,0,1,1,0|2,0,0]=4 1832 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,0,0,1,1,0|2,0,0]=4 1833 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)O 11a_100015207562_100015343762 [0,0,0,1,1,0|1,0,0]=3 1834 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)O 240690a_100015207562_100015343762 [0,0,0,1,1,0|1,0,0]=3 1835 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)O 527a_100015207562_100103153847 [0,0,0,1,1,0|1,0,0]=3 1836 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,0,0,1,1,0|2,0,0]=4 1837 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,0,0,1,1,0|2,0,0]=4 1838 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,0,0,1,1,0|2,0,0]=4 1839 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,0,0,1,1,0|2,0,0]=4 1840 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,0,0,1,1,0|2,0,0]=4 1841 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,0,0,1,1,0|2,0,0]=4 1842 B10R1.113 CC(=O)N1CCOC(C1)O 11a_100000688207_100015343762 [0,0,0,1,1,0|1,0,0]=3 1843 B10R1.113 CC(=O)N1CCOC(C1)O 240690a_100000688207_100015343762 [0,0,0,1,1,0|1,0,0]=3 1844 B10R1.113 CC(=O)N1CCOC(C1)O 527a_100000688207_100103153847 [0,0,0,1,1,0|1,0,0]=3 1845 B10R1.290 CC(=O)N(CCO)C1CC1 240690a_100000738766_100015343762 [0,0,0,1,1,0|2,0,0]=4 1846 B10R1.290 CC(=O)N(CCO)C1CC1 527a_100000738766_100103153847 [0,0,0,1,1,0|2,0,0]=4 1847 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,1,1,0|2,0,0]=4 1848 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,1,1,0|2,0,0]=4 1849 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,1,1,0|2,0,0]=4 1850 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,1,1,0|2,0,0]=4 1851 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000053229 [0,0,0,1,0,1|2,0,0]=4 1852 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 269982a_100000745186_100000076356 [0,0,0,1,0,1|2,0,0]=4 1853 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 34a_100000745186_100009813279 [0,0,0,1,0,1|2,0,0]=4 1854 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000744528 [0,0,0,1,0,1|2,0,0]=4 1855 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000744528 [0,0,0,1,0,1|2,0,0]=4 1856 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000731001 [0,0,0,1,0,1|2,0,0]=4 1857 B12R1.110 C=C(C)CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000730704 [0,0,0,1,0,1|2,0,0]=4 1858 B12R1.110 C=C(C)CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000730704 [0,0,0,1,0,1|2,0,0]=4 1859 B12R1.110 CC(=CCN1C[C@H]([C@H](C1)O)O)C 2230a_100015207562_100000761012 [0,0,0,1,0,1|2,0,0]=4 1860 B12R1.110 CC(=CCN1C[C@H]([C@H](C1)O)O)C 269982a_100015207562_100000761012 [0,0,0,1,0,1|2,0,0]=4 1861 B12R1.110 CC(=O)CCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000053229 [0,0,0,1,0,1|2,0,0]=4 1862 B12R1.110 CC(=O)CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000053229 [0,0,0,1,0,1|2,0,0]=4 1863 B12R1.110 CC(=O)CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000053229 [0,0,0,1,0,1|1,0,0]=3 1864 B12R1.110 CC(=O)OCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000076356 [0,0,0,1,0,1|2,0,0]=4 1865 B12R1.110 CC(=O)OCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000076356 [0,0,0,1,0,1|2,0,0]=4 1866 B12R1.110 CC(=O)OCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000076356 [0,0,0,1,0,1|1,0,0]=3 1867 B12R1.110 CC(O)CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100012276601 [0,0,0,1,0,1|1,0,1]=4 1868 B12R1.110 CC(O)CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100012276601 [0,0,0,1,0,1|1,0,1]=4 1869 B12R1.110 C[C@@H]1CN(C[C@@H]1O)CCC(=O)N 2230a_200015306588_100000744528 [0,0,0,1,0,1|2,0,0]=4 1870 B12R1.110 C[C@@H]1CN(C[C@@H]1O)CCC(=O)N 269982a_200015306588_100000744528 [0,0,0,1,0,1|2,0,0]=4 1871 B12R1.110 NC(=O)CCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000744528 [0,0,0,1,0,1|2,0,0]=4 1872 B12R1.110 NC(=O)CCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000744528 [0,0,0,1,0,1|2,0,0]=4 1873 B12R1.110 NC(=O)CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000744528 [0,0,0,1,0,1|1,0,0]=3 1874 B12R1.110 NC(=O)CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000744528 [0,0,0,1,0,1|1,0,0]=3 1875 B12R1.226 C=C(C)CCN1CCOC(C1)O 2230a_100000688207_100000730704 [0,0,0,1,0,1|2,0,0]=4 1876 B12R1.226 C=C(C)CCN1CCOC(C1)O 269982a_100000688207_100000730704 [0,0,0,1,0,1|2,0,0]=4 1877 B12R1.226 CC(=CCN1CCOC(C1)O)C 2230a_100000688207_100000761012 [0,0,0,1,0,1|2,0,0]=4 1878 B12R1.226 CC(=CCN1CCOC(C1)O)C 269982a_100000688207_100000761012 [0,0,0,1,0,1|2,0,0]=4 1879 B12R1.226 CC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000053229 [0,0,0,1,0,1|2,0,0]=4 1880 B12R1.226 CC(=O)CCN1CCOC(C1)C 269982a_100000729577_100000053229 [0,0,0,1,0,1|2,0,0]=4 1881 B12R1.226 CC(=O)CCN1CCOC(C1)O 269982a_100000688207_100000053229 [0,0,0,1,0,1|1,0,0]=3 1882 B12R1.226 CC(=O)OCN1CCCC(C1)O 269982a_100000211013_100000076356 [0,0,0,1,0,1|2,0,0]=4 1883 B12R1.226 CC(=O)OCN1CCOC(C1)C 269982a_100000729577_100000076356 [0,0,0,1,0,1|2,0,0]=4 1884 B12R1.226 CC(=O)OCN1CCOC(C1)C 34a_100000729577_100009813279 [0,0,0,1,0,1|2,0,0]=4 1885 B12R1.226 CC(=O)OCN1CCOC(C1)O 269982a_100000688207_100000076356 [0,0,0,1,0,1|1,0,0]=3 1886 B12R1.226 CC(O)CCN1CCOC(C1)O 2230a_100000688207_100012276601 [0,0,0,1,0,1|1,0,1]=4 1887 B12R1.226 CC(O)CCN1CCOC(C1)O 269982a_100000688207_100012276601 [0,0,0,1,0,1|1,0,1]=4 1888 B12R1.226 CC1CN(CCO1)CCC(=O)N 2230a_100000729577_100000744528 [0,0,0,1,0,1|2,0,0]=4 1889 B12R1.226 CC1CN(CCO1)CCC(=O)N 269982a_100000729577_100000744528 [0,0,0,1,0,1|2,0,0]=4 1890 B12R1.226 CC1CN(CCO1)CCC(=O)N 34a_100000729577_100000731001 [0,0,0,1,0,1|2,0,0]=4 1891 B12R1.226 NC(=O)CCN1CCCC(C1)O 2230a_100000211013_100000744528 [0,0,0,1,0,1|2,0,0]=4 1892 B12R1.226 NC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000744528 [0,0,0,1,0,1|2,0,0]=4 1893 B12R1.226 NC(=O)CCN1CCOC(C1)O 2230a_100000688207_100000744528 [0,0,0,1,0,1|1,0,0]=3 1894 B12R1.226 NC(=O)CCN1CCOC(C1)O 269982a_100000688207_100000744528 [0,0,0,1,0,1|1,0,0]=3 1895 B12R1.279 CCCN1CCOC(C1)C(=O)N 2230a_100000748043_100000210303 [0,0,0,1,0,1|2,0,0]=4 1896 B12R1.279 CCCN1CCOC(C1)C(=O)N 34a_100000748043_100000210303 [0,0,0,1,0,1|2,0,0]=4 1897 B12R1.279 NC(=O)C1CCCN(C1)CCO 2230a_100000195536_100000211926 [0,0,0,1,0,1|2,0,0]=4 1898 B12R1.279 NC(=O)C1CCCN(C1)CCO 269982a_100000195536_100000211926 [0,0,0,1,0,1|2,0,0]=4 1899 B12R1.279 NC(=O)C1CCCN(C1)CCO 34a_100000195536_100000211926 [0,0,0,1,0,1|2,0,0]=4 1900 B12R1.279 NC(=O)C1CN(CCO1)CCF 2230a_100000748043_100011217306 [0,0,0,1,0,1|2,0,0]=4 1901 B12R1.279 NC(=O)C1CN(CCO1)CCF 34a_100000748043_100011217306 [0,0,0,1,0,1|2,0,0]=4 1902 B12R1.279 NC(=O)C1CN(CCO1)CCO 2230a_100000748043_100000211926 [0,0,0,1,0,1|1,0,0]=3 1903 B12R1.279 NC(=O)C1CN(CCO1)CCO 34a_100000748043_100000211926 [0,0,0,1,0,1|1,0,0]=3 1904 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,0,0,1,0,1|2,0,0]=4 1905 B12R1.1343 CC(=O)OCN1CCCOCC1 269982a_100000685342_100000076356 [0,0,0,1,0,1|2,0,0]=4 1906 B12R1.1343 CC(=O)OCN1CCCOCC1 34a_100000685342_100009813279 [0,0,0,1,0,1|2,0,0]=4 1907 B12R1.1343 NC(=O)CCN1CCCOCC1 2230a_100000685342_100000744528 [0,0,0,1,0,1|2,0,0]=4 1908 B12R1.1343 NC(=O)CCN1CCCOCC1 269982a_100000685342_100000744528 [0,0,0,1,0,1|2,0,0]=4 1909 B12R1.1343 NC(=O)CCN1CCCOCC1 34a_100000685342_100000731001 [0,0,0,1,0,1|2,0,0]=4 1910 B12R1.1511 OCCN(CCO)CCC1CO1 2230a_100000210587_100000732470 [0,0,0,1,0,1|1,0,1]=4 1911 B12R1.1511 OCCN(CCO)CCC1CO1 269982a_100000210587_100000732470 [0,0,0,1,0,1|1,0,1]=4 1912 B12R1.1513 CCCN(CCO)C1CC(=O)C1 269982a_100000211420_100009894365 [0,0,0,1,0,1|2,0,0]=4 1913 B12R1.1513 O=C1CC(C1)N(CCO)CCO 269982a_100000210587_100009894365 [0,0,0,1,0,1|1,0,0]=3 1914 B12R1.2065 CC(=O)CCN(CCO)C1CC1 269982a_100000738766_100000053229 [0,0,0,1,0,1|2,0,0]=4 1915 B12R1.2065 CC(=O)OCN(CCO)C1CC1 269982a_100000738766_100000076356 [0,0,0,1,0,1|2,0,0]=4 1916 B12R1.2065 CC(=O)OCN(CCO)C1CC1 34a_100000738766_100009813279 [0,0,0,1,0,1|2,0,0]=4 1917 B12R1.2065 NC(=O)CCN(CCO)C1CC1 2230a_100000738766_100000744528 [0,0,0,1,0,1|2,0,0]=4 1918 B12R1.2065 NC(=O)CCN(CCO)C1CC1 269982a_100000738766_100000744528 [0,0,0,1,0,1|2,0,0]=4 1919 B12R1.2065 NC(=O)CCN(CCO)C1CC1 34a_100000738766_100000731001 [0,0,0,1,0,1|2,0,0]=4 1920 B12R1.65 C=C(C)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000748629 [0,1,0,1,0,0|2,0,0]=4 1921 B12R1.65 C=C(C)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000748629 [0,1,0,1,0,0|2,0,0]=4 1922 B12R1.65 C=C(F)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100009893438 [0,1,0,1,0,0|2,0,0]=4 1923 B12R1.65 C=C(F)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100009893438 [0,1,0,1,0,0|2,0,0]=4 1924 B12R1.65 CC(O)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100011218427 [0,1,0,1,0,0|1,0,1]=4 1925 B12R1.65 CC(O)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100011218427 [0,1,0,1,0,0|1,0,1]=4 1926 B12R1.65 C[C@@H](O)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100009817552 [0,1,0,1,0,0|1,0,1]=4 1927 B12R1.65 C[C@@H](O)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100009817552 [0,1,0,1,0,0|1,0,1]=4 1928 B12R1.65 NC(=O)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000747473 [0,1,0,1,0,0|1,0,0]=3 1929 B12R1.65 NC(=O)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000187820 [0,1,0,1,0,0|1,0,0]=3 1930 B12R1.65 NC(=O)CN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000747473 [0,1,0,1,0,0|2,0,0]=4 1931 B12R1.65 NC(=O)CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000187820 [0,1,0,1,0,0|2,0,0]=4 1932 B12R1.65 NC(=O)CN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000187820 [0,1,0,1,0,0|2,0,0]=4 1933 B12R1.65 O=C([O-])CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100020667443 [0,1,0,1,0,0|0,0,1]=3 1934 B12R1.65 O=C([O-])CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100020667443 [0,1,0,1,0,0|1,0,1]=4 1935 B12R1.65 O=C([O-])CN1C[C@H](C[C@H]1CO)F 34a_100015204000_100020667443 [0,1,0,1,0,0|1,0,1]=4 1936 B12R1.65 O=[N+]([O-])CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000761209 [0,1,0,1,0,0|1,0,1]=4 1937 B12R1.101 CC(=O)CN1C[C@H](O[C@H](C1)C)C 1458a_200121571877_200000210301 [0,1,0,1,0,0|2,0,0]=4 1938 B12R1.101 CC1CN(CC(O1)C)CC(=O)N 2230a_100000210032_100000747473 [0,1,0,1,0,0|2,0,0]=4 1939 B12R1.101 CC1CN(CC(O1)C)CC(=O)N 269982a_100000210032_100000187820 [0,1,0,1,0,0|2,0,0]=4 1940 B12R1.101 CC1CN(CC(O1)C)CC(=O)N 34a_100000210032_100000187820 [0,1,0,1,0,0|2,0,0]=4 1941 B12R1.101 CC1CN(CC(O1)C)CC(=O)[O-] 269982a_100000210032_100020667443 [0,1,0,1,0,0|1,0,1]=4 1942 B12R1.101 CC1CN(CC(O1)C)CC(=O)[O-] 34a_100000210032_100020667443 [0,1,0,1,0,0|1,0,1]=4 1943 B12R1.101 C[C@@H]1CN(C[C@@H](O1)C)CC(=O)[13CH3] 1458a_200121571877_200025704644 [0,1,0,1,0,0|2,0,0]=4 1944 B12R1.276 C#CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000184674 [0,1,0,1,0,0|1,0,1]=4 1945 B12R1.276 C=CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210623 [0,1,0,1,0,0|1,0,1]=4 1946 B12R1.276 CCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210303 [0,1,0,1,0,0|2,0,0]=4 1947 B12R1.276 CCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210303 [0,1,0,1,0,0|2,0,0]=4 1948 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210207 [0,1,0,1,0,0|2,0,0]=4 1949 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210207 [0,1,0,1,0,0|1,0,0]=3 1950 B12R1.276 COCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000766300 [0,1,0,1,0,0|2,0,0]=4 1951 B12R1.276 CSCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011218213 [0,1,0,1,0,0|2,0,0]=4 1952 B12R1.276 N#CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011215382 [0,1,0,1,0,0|1,0,1]=4 1953 B12R1.276 NC(=O)[C@@H]1C[C@@H](CN1CCO)F 2230a_100020614896_100000211926 [0,1,0,1,0,0|2,0,0]=4 1954 B12R1.276 NC(=O)[C@@H]1C[C@@H](CN1CCO)F 269982a_100020614896_100000211926 [0,1,0,1,0,0|2,0,0]=4 1955 B12R1.276 NC(=O)[C@@H]1C[C@@H](CN1CCO)F 34a_100020614896_100000211926 [0,1,0,1,0,0|2,0,0]=4 1956 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCF)O 2230a_100020587027_100011217306 [0,1,0,1,0,0|2,0,0]=4 1957 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCF)O 269982a_100020587027_100011217306 [0,1,0,1,0,0|2,0,0]=4 1958 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCO)O 2230a_100020587027_100000211926 [0,1,0,1,0,0|1,0,0]=3 1959 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCO)O 269982a_100020587027_100000211926 [0,1,0,1,0,0|1,0,0]=3 1960 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCF)F 269956a_100016993324_100011217306 [0,1,0,1,0,0|2,0,0]=4 1961 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCF)O 269956a_100000750407_100011217306 [0,1,0,1,0,0|1,0,0]=3 1962 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCO)F 269956a_100016993324_100000211926 [0,1,0,1,0,0|1,0,0]=3 1963 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCO)O 269956a_100000750407_100000211926 [0,1,0,1,0,0|0,0,0]=2 1964 B12R1.276 O=CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200015260668 [0,1,0,1,0,0|0,0,2]=4 1965 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210760 [0,1,0,1,0,0|2,0,0]=4 1966 B12R1.392 CC(C)CN1CCSC1C(=O)O 269956a_100000035718_100000210760 [0,1,0,1,0,0|1,1,0]=4 1967 B12R1.392 CC(O)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011218427 [0,1,0,1,0,0|1,0,1]=4 1968 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218427 [0,1,0,1,0,0|2,0,0]=4 1969 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [0,1,0,1,0,0|1,0,0]=3 1970 B12R1.392 CC(O)CN1CCSC1C(=O)O 269956a_100000035718_100011218427 [0,1,0,1,0,0|0,1,0]=3 1971 B12R1.392 CC(O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218427 [0,1,0,1,0,0|2,0,0]=4 1972 B12R1.392 C[C@@H](O)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100009817552 [0,1,0,1,0,0|1,0,1]=4 1973 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100009817552 [0,1,0,1,0,0|2,0,0]=4 1974 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [0,1,0,1,0,0|1,0,0]=3 1975 B12R1.392 C[C@@H](O)CN1CCSC1C(=O)O 269956a_100000035718_100009817552 [0,1,0,1,0,0|0,1,0]=3 1976 B12R1.392 C[C@@H](O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100009817552 [0,1,0,1,0,0|2,0,0]=4 1977 B12R1.392 O=C(O)C1SCCN1CC(F)F 269956a_100000035718_100011934356 [0,1,0,1,0,0|1,1,0]=4 1978 B12R1.392 O=C(O)[C@@H]1CCCN1CC(F)F 269956a_100000743916_100011934356 [0,1,0,1,0,0|2,0,0]=4 1979 B12R1.874 C=C(C)CN1CCOC[C@@H](C1)O 2230a_100016073750_100000748629 [0,1,0,1,0,0|2,0,0]=4 1980 B12R1.874 C=C(C)CN1CCOC[C@@H](C1)O 269982a_100016073750_100000748629 [0,1,0,1,0,0|2,0,0]=4 1981 B12R1.874 C=C(F)CN1CCOC[C@@H](C1)O 2230a_100016073750_100009893438 [0,1,0,1,0,0|2,0,0]=4 1982 B12R1.874 C=C(F)CN1CCOC[C@@H](C1)O 269982a_100016073750_100009893438 [0,1,0,1,0,0|2,0,0]=4 1983 B12R1.874 CC(O)CN1CCCNC(=O)C1 2230a_100015190381_100011218427 [0,1,0,1,0,0|2,0,0]=4 1984 B12R1.874 CC(O)CN1CCOC[C@@H](C1)O 2230a_100016073750_100011218427 [0,1,0,1,0,0|1,0,1]=4 1985 B12R1.874 CC(O)CN1CCOC[C@@H](C1)O 269982a_100016073750_100011218427 [0,1,0,1,0,0|1,0,1]=4 1986 B12R1.874 C[C@@H](O)CN1CCCNC(=O)C1 2230a_100015190381_100009817552 [0,1,0,1,0,0|2,0,0]=4 1987 B12R1.874 C[C@@H](O)CN1CCOC[C@@H](C1)O 2230a_100016073750_100009817552 [0,1,0,1,0,0|1,0,1]=4 1988 B12R1.874 C[C@@H](O)CN1CCOC[C@@H](C1)O 269982a_100016073750_100009817552 [0,1,0,1,0,0|1,0,1]=4 1989 B12R1.874 NC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000747473 [0,1,0,1,0,0|2,0,0]=4 1990 B12R1.874 NC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000187820 [0,1,0,1,0,0|2,0,0]=4 1991 B12R1.874 NC(=O)CN1CCOC[C@@H](C1)O 2230a_100016073750_100000747473 [0,1,0,1,0,0|1,0,0]=3 1992 B12R1.874 NC(=O)CN1CCOC[C@@H](C1)O 269982a_100016073750_100000187820 [0,1,0,1,0,0|1,0,0]=3 1993 B12R1.874 O=C([O-])CN1CCCCC(C1)O 269982a_100025706797_100020667443 [0,1,0,1,0,0|1,0,1]=4 1994 B12R1.874 O=C([O-])CN1CCOC[C@@H](C1)O 269982a_100016073750_100020667443 [0,1,0,1,0,0|0,0,1]=3 1995 B12R1.874 O=[N+]([O-])CN1CCOC[C@@H](C1)O 269982a_100016073750_100000761209 [0,1,0,1,0,0|1,0,1]=4 1996 B12R1.1531 C#CCN(CC(=O)O)CC1CO1 269956a_100011236498_102125554688 [0,1,0,1,0,0|1,0,1]=4 1997 B12R1.1531 C#CCN(CC(=O)O)C[C@@H]1CO1 269956a_100011236498_100000745022 [0,1,0,1,0,0|1,0,1]=4 1998 B12R1.1531 C=CCN(CC(=O)O)CC1CO1 269956a_100000744315_102125554688 [0,1,0,1,0,0|1,0,1]=4 1999 B12R1.1531 C=CCN(CC(=O)O)C[C@@H]1CO1 269956a_100000744315_100000745022 [0,1,0,1,0,0|1,0,1]=4 2000 B12R1.1531 CC(O)CN(CCO)CC1CO1 2230a_100000731851_100011216344 [0,1,0,1,0,0|1,0,1]=4 2001 B12R1.1531 CC(O)CN(CCO)CC1CO1 269982a_100000731851_102125554688 [0,1,0,1,0,0|1,0,1]=4 2002 B12R1.1531 CC(O)CN(CCO)C[C@@H]1CO1 269982a_100000731851_100000745022 [0,1,0,1,0,0|1,0,1]=4 2003 B12R1.1531 O=C(O)CN(CCO)CC1CC1 269956a_100000747938_100000742324 [0,1,0,1,0,0|1,0,0]=3 2004 B12R1.1531 O=C(O)CN(CCO)CC1CO1 269956a_100000747938_102125554688 [0,1,0,1,0,0|0,0,0]=2 2005 B12R1.1531 O=C(O)CN(CCO)CC1CS1 269956a_100000747938_100000031435 [0,1,0,1,0,0|0,1,0]=3 2006 B12R1.1531 O=C(O)CN(CCO)C[C@@H]1CO1 269956a_100000747938_100000745022 [0,1,0,1,0,0|0,0,0]=2 2007 B12R1.1821 CC1(CCCN(C1)CC(=O)N)O 2230a_100000695535_100000747473 [0,1,0,1,0,0|2,0,0]=4 2008 B12R1.1821 CC1(CCCN(C1)CC(=O)N)O 269982a_100000695535_100000187820 [0,1,0,1,0,0|2,0,0]=4 2009 B12R1.1821 CC1(CCCN(C1)CC(=O)[O-])O 269982a_100000695535_100020667443 [0,1,0,1,0,0|1,0,1]=4 2010 B12R1.1821 CC1(CN(CCO1)CC(=O)N)C 2230a_100000738910_100000747473 [0,1,0,1,0,0|2,0,0]=4 2011 B12R1.1821 CC1(CN(CCO1)CC(=O)N)C 269982a_100000738910_100000187820 [0,1,0,1,0,0|2,0,0]=4 2012 B12R1.1821 CC1(CN(CCO1)CC(=O)N)C 34a_100000738910_100000187820 [0,1,0,1,0,0|2,0,0]=4 2013 B12R1.1821 CC1(CN(CCO1)CC(=O)[O-])C 269982a_100000738910_100020667443 [0,1,0,1,0,0|1,0,1]=4 2014 B12R1.1821 CC1(CN(CCO1)CC(=O)[O-])C 34a_100000738910_100020667443 [0,1,0,1,0,0|1,0,1]=4 2015 B12R1.75 C=C(C)CN1CCOC[C@H]1CO 2230a_100000717676_100000748629 [0,1,0,1,0,0|2,0,0]=4 2016 B12R1.75 C=C(C)CN1CCOC[C@H]1CO 269982a_100000717676_100000748629 [0,1,0,1,0,0|2,0,0]=4 2017 B12R1.75 C=C(C)CN1CCOC[C@H]1CO 34a_100000717676_100000748629 [0,1,0,1,0,0|2,0,0]=4 2018 B12R1.75 C=C(F)CN1CCOC[C@H]1CO 2230a_100000717676_100009893438 [0,1,0,1,0,0|2,0,0]=4 2019 B12R1.75 C=C(F)CN1CCOC[C@H]1CO 269982a_100000717676_100009893438 [0,1,0,1,0,0|2,0,0]=4 2020 B12R1.75 C=C(F)CN1CCOC[C@H]1CO 34a_100000717676_100009893438 [0,1,0,1,0,0|2,0,0]=4 2021 B12R1.75 CC(O)CN1CCOC[C@H]1CO 2230a_100000717676_100011218427 [0,1,0,1,0,0|1,0,1]=4 2022 B12R1.75 CC(O)CN1CCOC[C@H]1CO 269982a_100000717676_100011218427 [0,1,0,1,0,0|1,0,1]=4 2023 B12R1.75 CC(O)CN1CCOC[C@H]1CO 34a_100000717676_100011218427 [0,1,0,1,0,0|1,0,1]=4 2024 B12R1.75 CC[C@H]1COCCN1CC(=O)N 2230a_100016988097_100000747473 [0,1,0,1,0,0|2,0,0]=4 2025 B12R1.75 CC[C@H]1COCCN1CC(=O)N 269982a_100016988097_100000187820 [0,1,0,1,0,0|2,0,0]=4 2026 B12R1.75 CC[C@H]1COCCN1CC(=O)N 34a_100016988097_100000187820 [0,1,0,1,0,0|2,0,0]=4 2027 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 269982a_100016988097_100020667443 [0,1,0,1,0,0|1,0,1]=4 2028 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 34a_100016988097_100020667443 [0,1,0,1,0,0|1,0,1]=4 2029 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO 2230a_100000717676_100009817552 [0,1,0,1,0,0|1,0,1]=4 2030 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO 269982a_100000717676_100009817552 [0,1,0,1,0,0|1,0,1]=4 2031 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO 34a_100000717676_100009817552 [0,1,0,1,0,0|1,0,1]=4 2032 B12R1.75 NC(=O)CN1CCCCC1CO 2230a_100000210821_100000747473 [0,1,0,1,0,0|2,0,0]=4 2033 B12R1.75 NC(=O)CN1CCCCC1CO 269982a_100000210821_100000187820 [0,1,0,1,0,0|2,0,0]=4 2034 B12R1.75 NC(=O)CN1CCCCC1CO 34a_100000210821_100000187820 [0,1,0,1,0,0|2,0,0]=4 2035 B12R1.75 NC(=O)CN1CCOC[C@H]1CO 2230a_100000717676_100000747473 [0,1,0,1,0,0|1,0,0]=3 2036 B12R1.75 NC(=O)CN1CCOC[C@H]1CO 269982a_100000717676_100000187820 [0,1,0,1,0,0|1,0,0]=3 2037 B12R1.75 NC(=O)CN1CCOC[C@H]1CO 34a_100000717676_100000187820 [0,1,0,1,0,0|1,0,0]=3 2038 B12R1.75 O=C([O-])CN1CCCCC1CO 269982a_100000210821_100020667443 [0,1,0,1,0,0|1,0,1]=4 2039 B12R1.75 O=C([O-])CN1CCCCC1CO 34a_100000210821_100020667443 [0,1,0,1,0,0|1,0,1]=4 2040 B12R1.75 O=C([O-])CN1CCOC[C@H]1CO 269982a_100000717676_100020667443 [0,1,0,1,0,0|0,0,1]=3 2041 B12R1.75 O=C([O-])CN1CCOC[C@H]1CO 34a_100000717676_100020667443 [0,1,0,1,0,0|0,0,1]=3 2042 B12R1.75 O=[N+]([O-])CN1CCOC[C@H]1CO 269982a_100000717676_100000761209 [0,1,0,1,0,0|1,0,1]=4 2043 B12R1.75 O=[N+]([O-])CN1CCOC[C@H]1CO 34a_100000717676_100000761209 [0,1,0,1,0,0|1,0,1]=4 2044 B12R1.127 C[C@@H]1CN([C@@H](CO1)C)CC(=O)N 2230a_100016991869_100000747473 [0,1,0,1,0,0|2,0,0]=4 2045 B12R1.127 C[C@@H]1CN([C@@H](CO1)C)CC(=O)N 269982a_100016991869_100000187820 [0,1,0,1,0,0|2,0,0]=4 2046 B12R1.127 C[C@@H]1CN([C@@H](CO1)C)CC(=O)N 34a_100016991869_100000187820 [0,1,0,1,0,0|2,0,0]=4 2047 B12R1.127 C[C@@H]1CN([C@@H](CO1)C)CC(=O)[O-] 269982a_100016991869_100020667443 [0,1,0,1,0,0|1,0,1]=4 2048 B12R1.127 C[C@@H]1CN([C@@H](CO1)C)CC(=O)[O-] 34a_100016991869_100020667443 [0,1,0,1,0,0|1,0,1]=4 2049 B12R1.368 CC(CO)N1CCC[C@H]1C(=O)N 2230a_100000003125_100012180447 [0,1,0,1,0,0|2,0,0]=4 2050 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000758301 [0,1,0,1,0,0|2,0,0]=4 2051 B12R1.368 CCC(C)N1CCSC1C(=O)O 269956a_100000035718_100000758301 [0,1,0,1,0,0|1,1,0]=4 2052 B12R1.368 C[C@H](CO)N1CC=C[C@H]1C(=O)O 269956a_100000057196_100016084084 [0,1,0,1,0,0|1,0,1]=4 2053 B12R1.368 C[C@H](CO)N1CCC[C@H]1C(=O)O 269956a_100000743916_100016084084 [0,1,0,1,0,0|1,0,0]=3 2054 B12R1.368 C[C@H](CO)N1CCSC1C(=O)O 269956a_100000035718_100016084084 [0,1,0,1,0,0|0,1,0]=3 2055 B12R1.368 C[C@H](CO)N1CSC[C@H]1C(=O)O 269956a_100000743924_100016084084 [0,1,0,1,0,0|2,0,0]=4 2056 B12R1.679 C[C@]1(CCCN1CC(=O)N)CO 2230a_100016195882_100000747473 [0,1,0,1,0,0|2,0,0]=4 2057 B12R1.679 C[C@]1(CCCN1CC(=O)N)CO 269982a_100016195882_100000187820 [0,1,0,1,0,0|2,0,0]=4 2058 B12R1.679 C[C@]1(CCCN1CC(=O)N)CO 34a_100016195882_100000187820 [0,1,0,1,0,0|2,0,0]=4 2059 B12R1.679 C[C@]1(CCCN1CC(=O)[O-])CO 269982a_100016195882_100020667443 [0,1,0,1,0,0|1,0,1]=4 2060 B12R1.679 C[C@]1(CCCN1CC(=O)[O-])CO 34a_100016195882_100020667443 [0,1,0,1,0,0|1,0,1]=4 2061 B12R1.1524 C#CCN(CC(=O)O)C1COC1 269956a_100011236498_100009818527 [0,1,0,1,0,0|1,0,1]=4 2062 B12R1.1524 C=CCN(CC(=O)O)C1COC1 269956a_100000744315_100009818527 [0,1,0,1,0,0|1,0,1]=4 2063 B12R1.1524 CC(O)CN(CCO)C1COC1 269982a_100000731851_100000687716 [0,1,0,1,0,0|1,0,1]=4 2064 B12R1.1524 O=C(O)CN(CCO)C1CCC1 269956a_100000747938_100000749161 [0,1,0,1,0,0|1,0,0]=3 2065 B12R1.1524 O=C(O)CN(CCO)C1COC1 269956a_100000747938_100009818527 [0,1,0,1,0,0|0,0,0]=2 2066 B12R1.1657 CC(CO)N1CCCNC(=O)C1 2230a_100015190381_100012180447 [0,1,0,1,0,0|2,0,0]=4 2067 B12R1.1657 CC(CO)N1CCOC[C@@H](C1)O 2230a_100016073750_100012180447 [0,1,0,1,0,0|1,0,1]=4 2068 B12R1.1657 C[C@H](CO)N1CCOC[C@@H](C1)O 269982a_100016073750_100016084084 [0,1,0,1,0,0|1,0,1]=4 2069 B12R1.1926 CC(CO)N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100012180447 [0,1,0,1,0,0|1,0,1]=4 2070 B12R1.1926 C[C@H](CO)N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100016084084 [0,1,0,1,0,0|1,0,1]=4 2071 B12R1.19 C=C(C)CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000748629 [0,1,0,1,0,0|2,0,0]=4 2072 B12R1.19 C=C(C)CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000748629 [0,1,0,1,0,0|2,0,0]=4 2073 B12R1.19 C=C(F)CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100009893438 [0,1,0,1,0,0|2,0,0]=4 2074 B12R1.19 C=C(F)CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100009893438 [0,1,0,1,0,0|2,0,0]=4 2075 B12R1.19 CC(O)CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100011218427 [0,1,0,1,0,0|1,0,1]=4 2076 B12R1.19 CC(O)CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100011218427 [0,1,0,1,0,0|1,0,1]=4 2077 B12R1.19 CC1CCN(CC1O)CC(=O)N 2230a_100000696640_100000747473 [0,1,0,1,0,0|2,0,0]=4 2078 B12R1.19 CC1CCN(CC1O)CC(=O)N 269982a_100000696640_100000187820 [0,1,0,1,0,0|2,0,0]=4 2079 B12R1.19 CC1CCN(CC1O)CC(=O)[O-] 269982a_100000696640_100020667443 [0,1,0,1,0,0|1,0,1]=4 2080 B12R1.19 CC1CN(CCC1O)CC(=O)N 2230a_100011998114_100000747473 [0,1,0,1,0,0|2,0,0]=4 2081 B12R1.19 CC1CN(CCC1O)CC(=O)N 269982a_100011998114_100000187820 [0,1,0,1,0,0|2,0,0]=4 2082 B12R1.19 CC1CN(CCC1O)CC(=O)[O-] 269982a_100011998114_100020667443 [0,1,0,1,0,0|1,0,1]=4 2083 B12R1.19 C[C@@H](O)CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100009817552 [0,1,0,1,0,0|1,0,1]=4 2084 B12R1.19 C[C@@H](O)CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100009817552 [0,1,0,1,0,0|1,0,1]=4 2085 B12R1.19 NC(=O)CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000747473 [0,1,0,1,0,0|2,0,0]=4 2086 B12R1.19 NC(=O)CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000187820 [0,1,0,1,0,0|2,0,0]=4 2087 B12R1.19 NC(=O)CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000747473 [0,1,0,1,0,0|1,0,0]=3 2088 B12R1.19 NC(=O)CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000187820 [0,1,0,1,0,0|1,0,0]=3 2089 B12R1.19 O=C([O-])CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100020667443 [0,1,0,1,0,0|1,0,1]=4 2090 B12R1.19 O=C([O-])CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100020667443 [0,1,0,1,0,0|0,0,1]=3 2091 B12R1.19 O=[N+]([O-])CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000761209 [0,1,0,1,0,0|1,0,1]=4 2092 B12R1.283 C#CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000184674 [0,1,0,1,0,0|1,0,1]=4 2093 B12R1.283 C=CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210623 [0,1,0,1,0,0|1,0,1]=4 2094 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,1,0,1,0,0|2,0,0]=4 2095 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210207 [0,1,0,1,0,0|1,0,0]=3 2096 B12R1.283 CCCN1CCSCC1C(=O)O 269956a_100011346106_100000210207 [0,1,0,1,0,0|1,1,0]=4 2097 B12R1.283 CCCN1CSCCC1C(=O)O 269956a_100015185162_100000210207 [0,1,0,1,0,0|2,0,0]=4 2098 B12R1.283 COCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000766300 [0,1,0,1,0,0|2,0,0]=4 2099 B12R1.283 CSCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011218213 [0,1,0,1,0,0|2,0,0]=4 2100 B12R1.283 N#CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011215382 [0,1,0,1,0,0|1,0,1]=4 2101 B12R1.283 NC(=O)C1CCCCN1CCO 2230a_100000181395_100000211926 [0,1,0,1,0,0|2,0,0]=4 2102 B12R1.283 NC(=O)C1CCCCN1CCO 269982a_100000181395_100000211926 [0,1,0,1,0,0|2,0,0]=4 2103 B12R1.283 NC(=O)C1CCCCN1CCO 34a_100000181395_100000211926 [0,1,0,1,0,0|2,0,0]=4 2104 B12R1.283 O=C(O)C1CCSCN1CCF 269956a_100015185162_100011217306 [0,1,0,1,0,0|2,0,0]=4 2105 B12R1.283 O=C(O)C1CCSCN1CCO 269956a_100015185162_100000211926 [0,1,0,1,0,0|1,0,0]=3 2106 B12R1.283 O=C(O)C1CSCCN1CCF 269956a_100011346106_100011217306 [0,1,0,1,0,0|1,1,0]=4 2107 B12R1.283 O=C(O)C1CSCCN1CCO 269956a_100011346106_100000211926 [0,1,0,1,0,0|0,1,0]=3 2108 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [0,1,0,1,0,0|2,0,0]=4 2109 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [0,1,0,1,0,0|1,0,0]=3 2110 B12R1.283 O=C(O)[C@H]1COCCN1CCF 269956a_100016993156_100011217306 [0,1,0,1,0,0|1,0,0]=3 2111 B12R1.283 O=C(O)[C@H]1COCCN1CCO 269956a_100016993156_100000211926 [0,1,0,1,0,0|0,0,0]=2 2112 B12R1.283 O=CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200015260668 [0,1,0,1,0,0|0,0,2]=4 2113 B12R1.321 COCCN1CCCNC(=O)C1 2230a_100015190381_100011201679 [0,1,0,1,0,0|2,0,0]=4 2114 B12R1.321 COCCN1CCOC[C@@H](C1)O 2230a_100016073750_100011201679 [0,1,0,1,0,0|1,0,1]=4 2115 B12R1.321 COCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000233755 [0,1,0,1,0,0|1,0,1]=4 2116 B12R1.321 O=C1CN(CCCN1)CCCO 2230a_100015190381_100000230001 [0,1,0,1,0,0|2,0,0]=4 2117 B12R1.321 OCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000230001 [0,1,0,1,0,0|1,0,1]=4 2118 B12R1.321 OCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100011215043 [0,1,0,1,0,0|1,0,1]=4 2119 B12R1.376 COCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100011201679 [0,1,0,1,0,0|1,0,1]=4 2120 B12R1.376 COCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000233755 [0,1,0,1,0,0|1,0,1]=4 2121 B12R1.376 OCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000230001 [0,1,0,1,0,0|1,0,1]=4 2122 B12R1.376 OCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100011215043 [0,1,0,1,0,0|1,0,1]=4 2123 B12R1.386 C#CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000688953 [0,1,0,1,0,0|2,0,0]=4 2124 B12R1.386 C#CCCN1CCSC1C(=O)O 269956a_100000035718_100000688953 [0,1,0,1,0,0|1,1,0]=4 2125 B12R1.386 C=CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000754431 [0,1,0,1,0,0|2,0,0]=4 2126 B12R1.386 C=CCCN1CCSC1C(=O)O 269956a_100000035718_100000754431 [0,1,0,1,0,0|1,1,0]=4 2127 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,1,0,1,0,0|2,0,0]=4 2128 B12R1.386 CCCCN1CCSC1C(=O)O 269956a_100000035718_100000210211 [0,1,0,1,0,0|1,1,0]=4 2129 B12R1.386 CCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000739092 [0,1,0,1,0,0|2,0,0]=4 2130 B12R1.386 CCOCN1CCSC1C(=O)O 269956a_100000035718_100000739092 [0,1,0,1,0,0|1,1,0]=4 2131 B12R1.386 COCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000233755 [0,1,0,1,0,0|1,0,1]=4 2132 B12R1.386 COCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011201679 [0,1,0,1,0,0|2,0,0]=4 2133 B12R1.386 COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000233755 [0,1,0,1,0,0|1,0,0]=3 2134 B12R1.386 COCCN1CCSC1C(=O)O 269956a_100000035718_100000233755 [0,1,0,1,0,0|0,1,0]=3 2135 B12R1.386 COCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000233755 [0,1,0,1,0,0|2,0,0]=4 2136 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000212216 [0,1,0,1,0,0|1,1,0]=4 2137 B12R1.386 CSCCN1CCSC1C(=O)O 269956a_100000035718_100000212216 [0,1,0,1,0,0|0,2,0]=4 2138 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215226 [0,1,0,1,0,0|2,0,0]=4 2139 B12R1.386 N#CCCN1CCSC1C(=O)O 269956a_100000035718_100011215226 [0,1,0,1,0,0|1,1,0]=4 2140 B12R1.386 NC(=O)[C@@H]1CCCN1CCCO 2230a_100000003125_100000230001 [0,1,0,1,0,0|2,0,0]=4 2141 B12R1.386 O=C(O)C1SCCN1CCCF 269956a_100000035718_100011934791 [0,1,0,1,0,0|1,1,0]=4 2142 B12R1.386 O=C(O)C1SCCN1CCCO 269956a_100000035718_100011215043 [0,1,0,1,0,0|0,1,0]=3 2143 B12R1.386 O=C(O)[C@@H]1C=CCN1CCCO 269956a_100000057196_100011215043 [0,1,0,1,0,0|1,0,1]=4 2144 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF 269956a_100000743916_100011934791 [0,1,0,1,0,0|2,0,0]=4 2145 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [0,1,0,1,0,0|1,0,0]=3 2146 B12R1.386 O=C(O)[C@@H]1CSCN1CCCO 269956a_100000743924_100011215043 [0,1,0,1,0,0|2,0,0]=4 2147 B12R1.438 C=C(C)CN1CCO[C@@H](C1)CO 2230a_100015189573_100000748629 [0,1,0,1,0,0|2,0,0]=4 2148 B12R1.438 C=C(C)CN1CCO[C@@H](C1)CO 269982a_100015189573_100000748629 [0,1,0,1,0,0|2,0,0]=4 2149 B12R1.438 C=C(C)CN1CCO[C@@H](C1)CO 34a_100015189573_100000748629 [0,1,0,1,0,0|2,0,0]=4 2150 B12R1.438 C=C(F)CN1CCO[C@@H](C1)CO 2230a_100015189573_100009893438 [0,1,0,1,0,0|2,0,0]=4 2151 B12R1.438 C=C(F)CN1CCO[C@@H](C1)CO 269982a_100015189573_100009893438 [0,1,0,1,0,0|2,0,0]=4 2152 B12R1.438 C=C(F)CN1CCO[C@@H](C1)CO 34a_100015189573_100009893438 [0,1,0,1,0,0|2,0,0]=4 2153 B12R1.438 CC(O)CN1CCO[C@@H](C1)CO 2230a_100015189573_100011218427 [0,1,0,1,0,0|1,0,1]=4 2154 B12R1.438 CC(O)CN1CCO[C@@H](C1)CO 269982a_100015189573_100011218427 [0,1,0,1,0,0|1,0,1]=4 2155 B12R1.438 CC(O)CN1CCO[C@@H](C1)CO 34a_100015189573_100011218427 [0,1,0,1,0,0|1,0,1]=4 2156 B12R1.438 CCC1CN(CCO1)CC(=O)N 2230a_100000736320_100000747473 [0,1,0,1,0,0|2,0,0]=4 2157 B12R1.438 CCC1CN(CCO1)CC(=O)N 269982a_100000736320_100000187820 [0,1,0,1,0,0|2,0,0]=4 2158 B12R1.438 CCC1CN(CCO1)CC(=O)N 34a_100000736320_100000187820 [0,1,0,1,0,0|2,0,0]=4 2159 B12R1.438 CCC1CN(CCO1)CC(=O)[O-] 269982a_100000736320_100020667443 [0,1,0,1,0,0|1,0,1]=4 2160 B12R1.438 CCC1CN(CCO1)CC(=O)[O-] 34a_100000736320_100020667443 [0,1,0,1,0,0|1,0,1]=4 2161 B12R1.438 COC1CCCN(C1)CC(=O)N 2230a_100000695604_100000747473 [0,1,0,1,0,0|2,0,0]=4 2162 B12R1.438 COC1CCCN(C1)CC(=O)N 269982a_100000695604_100000187820 [0,1,0,1,0,0|2,0,0]=4 2163 B12R1.438 COC1CCCN(C1)CC(=O)N 34a_100000695604_100000187820 [0,1,0,1,0,0|2,0,0]=4 2164 B12R1.438 COC1CCCN(C1)CC(=O)[O-] 269982a_100000695604_100020667443 [0,1,0,1,0,0|1,0,1]=4 2165 B12R1.438 COC1CCCN(C1)CC(=O)[O-] 34a_100000695604_100020667443 [0,1,0,1,0,0|1,0,1]=4 2166 B12R1.438 C[C@@H](O)CN1CCO[C@@H](C1)CO 2230a_100015189573_100009817552 [0,1,0,1,0,0|1,0,1]=4 2167 B12R1.438 C[C@@H](O)CN1CCO[C@@H](C1)CO 269982a_100015189573_100009817552 [0,1,0,1,0,0|1,0,1]=4 2168 B12R1.438 C[C@@H](O)CN1CCO[C@@H](C1)CO 34a_100015189573_100009817552 [0,1,0,1,0,0|1,0,1]=4 2169 B12R1.438 N#CC1CN(CCO1)CC(=O)N 2230a_100000752543_100000747473 [0,1,0,1,0,0|2,0,0]=4 2170 B12R1.438 N#CC1CN(CCO1)CC(=O)N 34a_100000752543_100000187820 [0,1,0,1,0,0|2,0,0]=4 2171 B12R1.438 N#CC1CN(CCO1)CC(=O)[O-] 34a_100000752543_100020667443 [0,1,0,1,0,0|1,0,1]=4 2172 B12R1.438 NC(=O)CN1CCCC(C1)CO 2230a_100000211344_100000747473 [0,1,0,1,0,0|2,0,0]=4 2173 B12R1.438 NC(=O)CN1CCCC(C1)CO 269982a_100000211344_100000187820 [0,1,0,1,0,0|2,0,0]=4 2174 B12R1.438 NC(=O)CN1CCCC(C1)CO 34a_100000211344_100000187820 [0,1,0,1,0,0|2,0,0]=4 2175 B12R1.438 NC(=O)CN1CCO[C@@H](C1)CO 2230a_100015189573_100000747473 [0,1,0,1,0,0|1,0,0]=3 2176 B12R1.438 NC(=O)CN1CCO[C@@H](C1)CO 269982a_100015189573_100000187820 [0,1,0,1,0,0|1,0,0]=3 2177 B12R1.438 NC(=O)CN1CCO[C@@H](C1)CO 34a_100015189573_100000187820 [0,1,0,1,0,0|1,0,0]=3 2178 B12R1.438 O=C([O-])CN1CCCC(C1)CO 269982a_100000211344_100020667443 [0,1,0,1,0,0|1,0,1]=4 2179 B12R1.438 O=C([O-])CN1CCCC(C1)CO 34a_100000211344_100020667443 [0,1,0,1,0,0|1,0,1]=4 2180 B12R1.438 O=C([O-])CN1CCO[C@@H](C1)CO 269982a_100015189573_100020667443 [0,1,0,1,0,0|0,0,1]=3 2181 B12R1.438 O=C([O-])CN1CCO[C@@H](C1)CO 34a_100015189573_100020667443 [0,1,0,1,0,0|0,0,1]=3 2182 B12R1.438 O=[N+]([O-])CN1CCO[C@@H](C1)CO 269982a_100015189573_100000761209 [0,1,0,1,0,0|1,0,1]=4 2183 B12R1.438 O=[N+]([O-])CN1CCO[C@@H](C1)CO 34a_100015189573_100000761209 [0,1,0,1,0,0|1,0,1]=4 2184 B12R1.928 OCCCN(CCO)CC1CO1 2230a_200000212863_100011216344 [0,1,0,1,0,0|1,0,1]=4 2185 B12R1.928 OCCCN(CCO)CC1CO1 269982a_200000212863_102125554688 [0,1,0,1,0,0|1,0,1]=4 2186 B12R1.928 OCCCN(CCO)C[C@@H]1CO1 269982a_200000212863_100000745022 [0,1,0,1,0,0|1,0,1]=4 2187 B12R1.933 N#CCCN(CC(=O)O)C1CC1 269956a_100011218032_100000211595 [0,1,0,1,0,0|2,0,0]=4 2188 B12R1.1020 NC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000747473 [0,1,0,1,0,0|2,0,0]=4 2189 B12R1.1020 NC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000187820 [0,1,0,1,0,0|2,0,0]=4 2190 B12R1.1020 O=C([O-])CN1CCCC(CC1)O 269982a_100015186869_100020667443 [0,1,0,1,0,0|1,0,1]=4 2191 B12R1.1443 CC1(COCCN(C1)CCO)O 2230a_100011091861_100000211926 [0,1,0,1,0,0|1,0,1]=4 2192 B12R1.1443 CC1(COCCN(C1)CCO)O 269982a_100011091861_100000211926 [0,1,0,1,0,0|1,0,1]=4 2193 B12R1.1498 CC1(CO1)CN(CCO)CCO 269982a_100000210587_100000760498 [0,1,0,1,0,0|1,0,1]=4 2194 B12R1.80 CC(=O)C(C)N1CCC[C@@H]1CO 2230a_100000745186_100009814033 [0,1,0,1,0,0|2,0,0]=4 2195 B12R1.80 CC(=O)C(C)N1CCC[C@@H]1CO 269982a_100000745186_100009814033 [0,1,0,1,0,0|2,0,0]=4 2196 B12R1.80 CC(C(=O)N)N1CCC[C@@H]1CO 2230a_100000745186_100000702099 [0,1,0,1,0,0|2,0,0]=4 2197 B12R1.80 CC(C(=O)N)N1CCC[C@@H]1CO 269982a_100000745186_100000184083 [0,1,0,1,0,0|2,0,0]=4 2198 B12R1.80 CC(C(=O)N)N1CCC[C@@H]1CO 34a_100000745186_100000702099 [0,1,0,1,0,0|2,0,0]=4 2199 B12R1.80 NC(=O)C(F)N1CCC[C@@H]1CO 2230a_100000745186_100009813875 [0,1,0,1,0,0|2,0,0]=4 2200 B12R1.80 NC(=O)C(F)N1CCC[C@@H]1CO 269982a_100000745186_100009813875 [0,1,0,1,0,0|2,0,0]=4 2201 B12R1.80 NC(=O)C(F)N1CCC[C@@H]1CO 34a_100000745186_100009813875 [0,1,0,1,0,0|2,0,0]=4 2202 B12R1.80 O=C([O-])C(F)N1CCC[C@@H]1CO 34a_100000745186_100020610796 [0,1,0,1,0,0|1,0,1]=4 2203 B12R1.109 CC(=O)C(C)N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100009814033 [0,1,0,1,0,0|2,0,0]=4 2204 B12R1.109 CC(=O)C(C)N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100009814033 [0,1,0,1,0,0|2,0,0]=4 2205 B12R1.109 CC(=O)C(C)N1C[C@H]([C@H](C1)O)C 2230a_200015306588_100009814033 [0,1,0,1,0,0|2,0,0]=4 2206 B12R1.109 CC(=O)C(C)N1C[C@H]([C@H](C1)O)C 269982a_200015306588_100009814033 [0,1,0,1,0,0|2,0,0]=4 2207 B12R1.109 CC(=O)C(C)N1C[C@H]([C@H](C1)O)O 2230a_100015207562_100009814033 [0,1,0,1,0,0|1,0,0]=3 2208 B12R1.109 CC(=O)C(C)N1C[C@H]([C@H](C1)O)O 269982a_100015207562_100009814033 [0,1,0,1,0,0|1,0,0]=3 2209 B12R1.109 CC(C(=O)N)N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000702099 [0,1,0,1,0,0|2,0,0]=4 2210 B12R1.109 CC(C(=O)N)N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000184083 [0,1,0,1,0,0|2,0,0]=4 2211 B12R1.109 CC(C(=O)N)N1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000702099 [0,1,0,1,0,0|2,0,0]=4 2212 B12R1.109 CC(C(=O)N)N1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000184083 [0,1,0,1,0,0|2,0,0]=4 2213 B12R1.109 CC(C(=O)N)N1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000702099 [0,1,0,1,0,0|1,0,0]=3 2214 B12R1.109 CC(C(=O)N)N1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000184083 [0,1,0,1,0,0|1,0,0]=3 2215 B12R1.109 C[C@@H]1CN(C[C@@H]1O)C(F)C(=O)N 2230a_200015306588_100009813875 [0,1,0,1,0,0|2,0,0]=4 2216 B12R1.109 C[C@@H]1CN(C[C@@H]1O)C(F)C(=O)N 269982a_200015306588_100009813875 [0,1,0,1,0,0|2,0,0]=4 2217 B12R1.109 NC(=O)C(=O)N1C[C@H]([C@H](C1)O)O 240690a_100015207562_100011215815 [0,1,0,1,0,0|1,0,1]=4 2218 B12R1.109 NC(=O)C(F)N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100009813875 [0,1,0,1,0,0|2,0,0]=4 2219 B12R1.109 NC(=O)C(F)N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100009813875 [0,1,0,1,0,0|2,0,0]=4 2220 B12R1.109 NC(=O)C(F)N1C[C@H]([C@H](C1)O)O 2230a_100015207562_100009813875 [0,1,0,1,0,0|1,0,0]=3 2221 B12R1.109 NC(=O)C(F)N1C[C@H]([C@H](C1)O)O 269982a_100015207562_100009813875 [0,1,0,1,0,0|1,0,0]=3 2222 B12R1.225 CC(=O)C(C)N1CCCC(C1)O 2230a_100000211013_100009814033 [0,1,0,1,0,0|2,0,0]=4 2223 B12R1.225 CC(=O)C(C)N1CCCC(C1)O 269982a_100000211013_100009814033 [0,1,0,1,0,0|2,0,0]=4 2224 B12R1.225 CC(=O)C(C)N1CCOC(C1)C 2230a_100000729577_100009814033 [0,1,0,1,0,0|2,0,0]=4 2225 B12R1.225 CC(=O)C(C)N1CCOC(C1)C 269982a_100000729577_100009814033 [0,1,0,1,0,0|2,0,0]=4 2226 B12R1.225 CC(=O)C(C)N1CCOC(C1)O 2230a_100000688207_100009814033 [0,1,0,1,0,0|1,0,0]=3 2227 B12R1.225 CC(=O)C(C)N1CCOC(C1)O 269982a_100000688207_100009814033 [0,1,0,1,0,0|1,0,0]=3 2228 B12R1.225 CC(C(=O)N)N1CCCC(C1)O 2230a_100000211013_100000702099 [0,1,0,1,0,0|2,0,0]=4 2229 B12R1.225 CC(C(=O)N)N1CCCC(C1)O 269982a_100000211013_100000184083 [0,1,0,1,0,0|2,0,0]=4 2230 B12R1.225 CC(C(=O)N)N1CCOC(C1)O 2230a_100000688207_100000702099 [0,1,0,1,0,0|1,0,0]=3 2231 B12R1.225 CC(C(=O)N)N1CCOC(C1)O 269982a_100000688207_100000184083 [0,1,0,1,0,0|1,0,0]=3 2232 B12R1.225 CC1CN(CCO1)C(C)C(=O)N 2230a_100000729577_100000702099 [0,1,0,1,0,0|2,0,0]=4 2233 B12R1.225 CC1CN(CCO1)C(C)C(=O)N 269982a_100000729577_100000184083 [0,1,0,1,0,0|2,0,0]=4 2234 B12R1.225 CC1CN(CCO1)C(C)C(=O)N 34a_100000729577_100000702099 [0,1,0,1,0,0|2,0,0]=4 2235 B12R1.225 CC1CN(CCO1)C(F)C(=O)N 2230a_100000729577_100009813875 [0,1,0,1,0,0|2,0,0]=4 2236 B12R1.225 CC1CN(CCO1)C(F)C(=O)N 269982a_100000729577_100009813875 [0,1,0,1,0,0|2,0,0]=4 2237 B12R1.225 CC1CN(CCO1)C(F)C(=O)N 34a_100000729577_100009813875 [0,1,0,1,0,0|2,0,0]=4 2238 B12R1.225 CC1CN(CCO1)C(F)C(=O)[O-] 34a_100000729577_100020610796 [0,1,0,1,0,0|1,0,1]=4 2239 B12R1.225 NC(=O)C(=O)N1CCOC(C1)O 240690a_100000688207_100011215815 [0,1,0,1,0,0|1,0,1]=4 2240 B12R1.225 NC(=O)C(F)N1CCCC(C1)O 2230a_100000211013_100009813875 [0,1,0,1,0,0|2,0,0]=4 2241 B12R1.225 NC(=O)C(F)N1CCCC(C1)O 269982a_100000211013_100009813875 [0,1,0,1,0,0|2,0,0]=4 2242 B12R1.225 NC(=O)C(F)N1CCOC(C1)O 2230a_100000688207_100009813875 [0,1,0,1,0,0|1,0,0]=3 2243 B12R1.225 NC(=O)C(F)N1CCOC(C1)O 269982a_100000688207_100009813875 [0,1,0,1,0,0|1,0,0]=3 2244 B12R1.915 CC(=O)C(C)N(CCO)C1CC1 2230a_100000738766_100009814033 [0,1,0,1,0,0|2,0,0]=4 2245 B12R1.915 CC(=O)C(C)N(CCO)C1CC1 269982a_100000738766_100009814033 [0,1,0,1,0,0|2,0,0]=4 2246 B12R1.915 CC(C(=O)N)N(CCO)C1CC1 2230a_100000738766_100000702099 [0,1,0,1,0,0|2,0,0]=4 2247 B12R1.915 CC(C(=O)N)N(CCO)C1CC1 269982a_100000738766_100000184083 [0,1,0,1,0,0|2,0,0]=4 2248 B12R1.915 CC(C(=O)N)N(CCO)C1CC1 34a_100000738766_100000702099 [0,1,0,1,0,0|2,0,0]=4 2249 B12R1.915 CC(C(=O)O)N(CCO)C1CC1 269956a_100011300695_100000211595 [0,1,0,1,0,0|1,0,0]=3 2250 B12R1.915 NC(=O)C(F)N(CCO)C1CC1 2230a_100000738766_100009813875 [0,1,0,1,0,0|2,0,0]=4 2251 B12R1.915 NC(=O)C(F)N(CCO)C1CC1 269982a_100000738766_100009813875 [0,1,0,1,0,0|2,0,0]=4 2252 B12R1.915 NC(=O)C(F)N(CCO)C1CC1 34a_100000738766_100009813875 [0,1,0,1,0,0|2,0,0]=4 2253 B12R1.915 O=C([O-])C(F)N(CCO)C1CC1 34a_100000738766_100020610796 [0,1,0,1,0,0|1,0,1]=4 2254 B12R1.1500 CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210207 [0,1,0,1,0,0|2,0,0]=4 2255 B12R1.1500 C[C@]1(CCCN1CCF)C(=O)O 269956a_100009816582_100011217306 [0,1,0,1,0,0|2,0,0]=4 2256 B12R1.1500 C[C@]1(CCCN1CCO)C(=O)O 269956a_100009816582_100000211926 [0,1,0,1,0,0|1,0,0]=3 2257 B12R1.1512 CCCN(CCO)C1CCC1=O 269982a_100000211420_100009892977 [0,1,0,1,0,0|2,0,0]=4 2258 B12R1.1512 O=C1CCC1N(CCO)CCO 269982a_100000210587_100009892977 [0,1,0,1,0,0|1,0,0]=3 2259 B12R1.2069 CC(C1CO1)N(CCO)CCO 270004a_100000210587_100000031964 [0,1,0,1,0,0|1,0,1]=4 2260 B12R1.2197 CC(=O)C(C)N1CCCOCC1 2230a_100000685342_100009814033 [0,1,0,1,0,0|2,0,0]=4 2261 B12R1.2197 CC(=O)C(C)N1CCCOCC1 269982a_100000685342_100009814033 [0,1,0,1,0,0|2,0,0]=4 2262 B12R1.2197 CC(C(=O)N)N1CCCOCC1 2230a_100000685342_100000702099 [0,1,0,1,0,0|2,0,0]=4 2263 B12R1.2197 CC(C(=O)N)N1CCCOCC1 269982a_100000685342_100000184083 [0,1,0,1,0,0|2,0,0]=4 2264 B12R1.2197 CC(C(=O)N)N1CCCOCC1 34a_100000685342_100000702099 [0,1,0,1,0,0|2,0,0]=4 2265 B12R1.2197 NC(=O)C(F)N1CCCOCC1 2230a_100000685342_100009813875 [0,1,0,1,0,0|2,0,0]=4 2266 B12R1.2197 NC(=O)C(F)N1CCCOCC1 269982a_100000685342_100009813875 [0,1,0,1,0,0|2,0,0]=4 2267 B12R1.2197 NC(=O)C(F)N1CCCOCC1 34a_100000685342_100009813875 [0,1,0,1,0,0|2,0,0]=4 2268 B12R1.2197 O=C([O-])C(F)N1CCCOCC1 34a_100000685342_100020610796 [0,1,0,1,0,0|1,0,1]=4 2269 B12R1.50 C=C(C#N)CN1CCOC(C1)O 2230a_100000688207_100000694840 [0,1,0,1,0,0|2,0,0]=4 2270 B12R1.50 C=C(C#N)CN1CCOC(C1)O 269982a_100000688207_100000694840 [0,1,0,1,0,0|2,0,0]=4 2271 B12R1.50 C=CC(O)CN1CCOC(C1)O 2230a_100000688207_100000730141 [0,1,0,1,0,0|1,0,1]=4 2272 B12R1.50 CCC(=O)CN1CCCC(C1)O 269982a_100000211013_100000747405 [0,1,0,1,0,0|2,0,0]=4 2273 B12R1.50 CCC(=O)CN1CCOC(C1)C 269982a_100000729577_100000747405 [0,1,0,1,0,0|2,0,0]=4 2274 B12R1.50 CCC(=O)CN1CCOC(C1)O 269982a_100000688207_100000747405 [0,1,0,1,0,0|1,0,0]=3 2275 B12R1.50 CCC(O)CN1CCOC(C1)O 2230a_100000688207_100011218378 [0,1,0,1,0,0|1,0,1]=4 2276 B12R1.50 CCC(O)CN1CCOC(C1)O 269982a_100000688207_100011218378 [0,1,0,1,0,0|1,0,1]=4 2277 B12R1.50 CNC(=O)CN1CCCC(C1)O 2230a_100000211013_100000183359 [0,1,0,1,0,0|2,0,0]=4 2278 B12R1.50 CNC(=O)CN1CCCC(C1)O 269982a_100000211013_100000183359 [0,1,0,1,0,0|2,0,0]=4 2279 B12R1.50 CNC(=O)CN1CCOC(C1)C 2230a_100000729577_100000183359 [0,1,0,1,0,0|2,0,0]=4 2280 B12R1.50 CNC(=O)CN1CCOC(C1)C 269982a_100000729577_100000183359 [0,1,0,1,0,0|2,0,0]=4 2281 B12R1.50 CNC(=O)CN1CCOC(C1)C 34a_100000729577_100000183359 [0,1,0,1,0,0|2,0,0]=4 2282 B12R1.50 CNC(=O)CN1CCOC(C1)O 2230a_100000688207_100000183359 [0,1,0,1,0,0|1,0,0]=3 2283 B12R1.50 CNC(=O)CN1CCOC(C1)O 269982a_100000688207_100000183359 [0,1,0,1,0,0|1,0,0]=3 2284 B12R1.50 COC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747449 [0,1,0,1,0,0|2,0,0]=4 2285 B12R1.50 COC(=O)CN1CCCC(C1)F 269982a_100000697950_100000747449 [0,1,0,1,0,0|2,0,0]=4 2286 B12R1.50 COC(=O)CN1CCCC(C1)F 34a_100000697950_100000747449 [0,1,0,1,0,0|2,0,0]=4 2287 B12R1.50 COC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747449 [0,1,0,1,0,0|1,0,0]=3 2288 B12R1.50 COC(=O)CN1CCCC(C1)O 269982a_100000211013_100000747449 [0,1,0,1,0,0|1,0,0]=3 2289 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000747449 [0,1,0,1,0,0|2,0,0]=4 2290 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747449 [0,1,0,1,0,0|2,0,0]=4 2291 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000747449 [0,1,0,1,0,0|2,0,0]=4 2292 B12R1.50 COC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747449 [0,1,0,1,0,0|0,0,2]=4 2293 B12R1.50 COC(=O)CN1CCOC(C1)C 2230a_100000729577_100000747449 [0,1,0,1,0,0|1,0,0]=3 2294 B12R1.50 COC(=O)CN1CCOC(C1)C 269982a_100000729577_100000747449 [0,1,0,1,0,0|1,0,0]=3 2295 B12R1.50 COC(=O)CN1CCOC(C1)C 34a_100000729577_100000747449 [0,1,0,1,0,0|1,0,0]=3 2296 B12R1.50 COC(=O)CN1CCOC(C1)O 2230a_100000688207_100000747449 [0,1,0,1,0,0|0,0,0]=2 2297 B12R1.50 COC(=O)CN1CCOC(C1)O 269982a_100000688207_100000747449 [0,1,0,1,0,0|0,0,0]=2 2298 B12R1.50 C[C@@H](CO)CN1CCOC(C1)O 2230a_100000688207_100000059175 [0,1,0,1,0,0|1,0,1]=4 2299 B12R1.50 C[C@@H](CO)CN1CCOC(C1)O 269982a_100000688207_100000059175 [0,1,0,1,0,0|1,0,1]=4 2300 B12R1.50 OC1CN(CCO1)C[C@@H](O)CF 2230a_100000688207_100015614560 [0,1,0,1,0,0|1,0,1]=4 2301 B12R1.50 OCC(O)CN1CCOC(C1)O 2230a_100000688207_100011219619 [0,1,0,1,0,0|0,0,2]=4 2302 B12R1.50 OC[C@H](O)CN1CCOC(C1)O 2230a_100000688207_100009815848 [0,1,0,1,0,0|0,0,2]=4 2303 B12R1.82 CCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747405 [0,1,0,1,0,0|2,0,0]=4 2304 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,1,0,1,0,0|2,0,0]=4 2305 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,1,0,1,0,0|2,0,0]=4 2306 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,1,0,1,0,0|2,0,0]=4 2307 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 2308 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 2309 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 2310 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747449 [0,1,0,1,0,0|1,0,0]=3 2311 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747449 [0,1,0,1,0,0|1,0,0]=3 2312 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000747449 [0,1,0,1,0,0|1,0,0]=3 2313 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,1,0,1,0,0|2,0,0]=4 2314 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,1,0,1,0,0|2,0,0]=4 2315 B12R1.291 CCCN1CCSC1C(=O)OC 2230a_100015296106_100000210303 [0,1,0,1,0,0|1,1,0]=4 2316 B12R1.291 CCCN1CCSC1C(=O)OC 269982a_100015296106_100000210303 [0,1,0,1,0,0|1,1,0]=4 2317 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 2230a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 2318 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 269982a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 2319 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 34a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 2320 B12R1.291 COC(=O)C1CSCN1CCO 269982a_200000724679_100000211926 [0,1,0,1,0,0|2,0,0]=4 2321 B12R1.291 COC(=O)C1SCCN1CCF 2230a_100015296106_100011217306 [0,1,0,1,0,0|1,1,0]=4 2322 B12R1.291 COC(=O)C1SCCN1CCF 269982a_100015296106_100011217306 [0,1,0,1,0,0|1,1,0]=4 2323 B12R1.291 COC(=O)C1SCCN1CCO 2230a_100015296106_100000211926 [0,1,0,1,0,0|0,1,0]=3 2324 B12R1.291 COC(=O)C1SCCN1CCO 269982a_100015296106_100000211926 [0,1,0,1,0,0|0,1,0]=3 2325 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 2230a_100000752040_100011217306 [0,1,0,1,0,0|2,0,0]=4 2326 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 269982a_100000752040_100011217306 [0,1,0,1,0,0|2,0,0]=4 2327 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 2230a_100000752040_100000211926 [0,1,0,1,0,0|1,0,0]=3 2328 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 269982a_100000752040_100000211926 [0,1,0,1,0,0|1,0,0]=3 2329 B12R1.533 C=C(C#N)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000694840 [0,1,0,1,0,0|2,0,0]=4 2330 B12R1.533 C=C(C#N)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000694840 [0,1,0,1,0,0|2,0,0]=4 2331 B12R1.533 C=CC(O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000730141 [0,1,0,1,0,0|1,0,1]=4 2332 B12R1.533 CCC(=O)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000747405 [0,1,0,1,0,0|2,0,0]=4 2333 B12R1.533 CCC(=O)CN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000747405 [0,1,0,1,0,0|2,0,0]=4 2334 B12R1.533 CCC(=O)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000747405 [0,1,0,1,0,0|1,0,0]=3 2335 B12R1.533 CCC(O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011218378 [0,1,0,1,0,0|1,0,1]=4 2336 B12R1.533 CCC(O)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011218378 [0,1,0,1,0,0|1,0,1]=4 2337 B12R1.533 CNC(=O)CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000183359 [0,1,0,1,0,0|2,0,0]=4 2338 B12R1.533 CNC(=O)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000183359 [0,1,0,1,0,0|2,0,0]=4 2339 B12R1.533 CNC(=O)CN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000183359 [0,1,0,1,0,0|2,0,0]=4 2340 B12R1.533 CNC(=O)CN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000183359 [0,1,0,1,0,0|2,0,0]=4 2341 B12R1.533 CNC(=O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000183359 [0,1,0,1,0,0|1,0,0]=3 2342 B12R1.533 CNC(=O)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000183359 [0,1,0,1,0,0|1,0,0]=3 2343 B12R1.533 COC(=O)CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000747449 [0,1,0,1,0,0|1,0,0]=3 2344 B12R1.533 COC(=O)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000747449 [0,1,0,1,0,0|1,0,0]=3 2345 B12R1.533 COC(=O)CN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000747449 [0,1,0,1,0,0|2,0,0]=4 2346 B12R1.533 COC(=O)CN1C[C@H]([C@H](C1)F)F 34a_100103146936_100000747449 [0,1,0,1,0,0|2,0,0]=4 2347 B12R1.533 COC(=O)CN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000747449 [0,1,0,1,0,0|1,0,0]=3 2348 B12R1.533 COC(=O)CN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000747449 [0,1,0,1,0,0|1,0,0]=3 2349 B12R1.533 COC(=O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000747449 [0,1,0,1,0,0|0,0,0]=2 2350 B12R1.533 COC(=O)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000747449 [0,1,0,1,0,0|0,0,0]=2 2351 B12R1.533 C[C@@H](CO)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000059175 [0,1,0,1,0,0|1,0,1]=4 2352 B12R1.533 C[C@@H](CO)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000059175 [0,1,0,1,0,0|1,0,1]=4 2353 B12R1.533 OCC(O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011219619 [0,1,0,1,0,0|0,0,2]=4 2354 B12R1.533 OC[C@H](O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100009815848 [0,1,0,1,0,0|0,0,2]=4 2355 B12R1.533 O[C@@H](CF)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100015614560 [0,1,0,1,0,0|1,0,1]=4 2356 B12R1.1444 OCCN1CCOCC(C1)CO 2230a_100103147999_100000211926 [0,1,0,1,0,0|1,0,1]=4 2357 B12R1.1444 OCCN1CCOCC(C1)CO 269982a_100103147999_100000211926 [0,1,0,1,0,0|1,0,1]=4 2358 B12R1.1444 OCCN1CCOCC(C1)CO 34a_100103147999_100000211926 [0,1,0,1,0,0|1,0,1]=4 2359 B12R1.1445 CN1CCCN(CC1=O)CCO 2230a_100000709885_100000211926 [0,1,0,1,0,0|2,0,0]=4 2360 B12R1.1445 CN1CCCN(CC1=O)CCO 269982a_100000709885_100000211926 [0,1,0,1,0,0|2,0,0]=4 2361 B12R1.1445 CN1CCCN(CC1=O)CCO 34a_100000709885_100000211926 [0,1,0,1,0,0|2,0,0]=4 2362 B12R1.1510 OCCN(CCO)CC1CCO1 2230a_100000210587_100000103362 [0,1,0,1,0,0|1,0,1]=4 2363 B12R1.1510 OCCN(CCO)CC1CCO1 269982a_100000210587_100000103362 [0,1,0,1,0,0|1,0,1]=4 2364 B12R1.1510 OCCN(CCO)CC1COC1 2230a_100000210587_100010264016 [0,1,0,1,0,0|1,0,1]=4 2365 B12R1.1510 OCCN(CCO)CC1COC1 269982a_100000210587_100010264016 [0,1,0,1,0,0|1,0,1]=4 2366 B12R1.1748 CCC(=O)CN1CCCOCC1 269982a_100000685342_100000747405 [0,1,0,1,0,0|2,0,0]=4 2367 B12R1.1748 CNC(=O)CN1CCCOCC1 2230a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 2368 B12R1.1748 CNC(=O)CN1CCCOCC1 269982a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 2369 B12R1.1748 CNC(=O)CN1CCCOCC1 34a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 2370 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,1,0,1,0,0|2,0,0]=4 2371 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,1,0,1,0,0|2,0,0]=4 2372 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,1,0,1,0,0|2,0,0]=4 2373 B12R1.1748 COC(=O)CN1CCCOCC1 2230a_100000685342_100000747449 [0,1,0,1,0,0|1,0,0]=3 2374 B12R1.1748 COC(=O)CN1CCCOCC1 269982a_100000685342_100000747449 [0,1,0,1,0,0|1,0,0]=3 2375 B12R1.1748 COC(=O)CN1CCCOCC1 34a_100000685342_100000747449 [0,1,0,1,0,0|1,0,0]=3 2376 B12R1.3364 CCC(=O)CN(CCO)C1CC1 269982a_100000738766_100000747405 [0,1,0,1,0,0|2,0,0]=4 2377 B12R1.3364 CCCN(CC(=O)OC)C1CC1 2230a_100000765834_100000747449 [0,1,0,1,0,0|2,0,0]=4 2378 B12R1.3364 CCCN(CC(=O)OC)C1CC1 269982a_100000765834_100000747449 [0,1,0,1,0,0|2,0,0]=4 2379 B12R1.3364 CNC(=O)CN(CCO)C1CC1 2230a_100000738766_100000183359 [0,1,0,1,0,0|2,0,0]=4 2380 B12R1.3364 CNC(=O)CN(CCO)C1CC1 269982a_100000738766_100000183359 [0,1,0,1,0,0|2,0,0]=4 2381 B12R1.3364 CNC(=O)CN(CCO)C1CC1 34a_100000738766_100000183359 [0,1,0,1,0,0|2,0,0]=4 2382 B12R1.3364 COC(=O)CN(CCO)C1CC1 2230a_100000738766_100000747449 [0,1,0,1,0,0|1,0,0]=3 2383 B12R1.3364 COC(=O)CN(CCO)C1CC1 269982a_100000738766_100000747449 [0,1,0,1,0,0|1,0,0]=3 2384 B12R1.3364 COC(=O)CN(CCO)C1CC1 34a_100000738766_100000747449 [0,1,0,1,0,0|1,0,0]=3 2385 B12R2.1661 NC(=O)CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000747473 [0,0,0,2,0,0|2,0,0]=4 2386 B12R2.1661 NC(=O)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000187820 [0,0,0,2,0,0|2,0,0]=4 2387 B12R2.1661 NC(=O)CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000187820 [0,0,0,2,0,0|2,0,0]=4 2388 B12R2.1661 O=C([O-])CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100020667443 [0,0,0,2,0,0|1,0,1]=4 2389 B12R2.1661 O=C([O-])CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100020667443 [0,0,0,2,0,0|1,0,1]=4 2390 B12R2.2309 O[C@@H]1CN(C[C@@H]1O)CC2CO2 2230a_100015207562_100011216344 [0,0,0,2,0,0|1,0,1]=4 2391 B12R2.2309 O[C@@H]1CN(C[C@@H]1O)CC2CO2 269982a_100015207562_102125554688 [0,0,0,2,0,0|1,0,1]=4 2392 B12R2.2309 O[C@@H]1CN(C[C@@H]1O)C[C@@H]2CO2 269982a_100015207562_100000745022 [0,0,0,2,0,0|1,0,1]=4 2393 B12R2.1286 OC1CN(CCO1)CC2CO2 2230a_100000688207_100011216344 [0,0,0,2,0,0|1,0,1]=4 2394 B12R2.1286 OC1CN(CCO1)CC2CO2 269982a_100000688207_102125554688 [0,0,0,2,0,0|1,0,1]=4 2395 B12R2.1286 OC1CN(CCO1)C[C@@H]2CO2 269982a_100000688207_100000745022 [0,0,0,2,0,0|1,0,1]=4 2396 B12R2.1356 O=C(O)C1SCCN1C2CC2 269956a_100000035718_100000211595 [0,0,0,2,0,0|1,1,0]=4 2397 B12R2.1356 O=C(O)[C@@H]1CCCN1C2CC2 269956a_100000743916_100000211595 [0,0,0,2,0,0|2,0,0]=4 2398 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,0,0,0,1,0|2,0,0]=4 2399 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,0,0,0,1,0|2,0,0]=4 2400 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,0,0,0,1,0|2,0,0]=4 2401 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,0,0,0,1,0|2,0,0]=4 2402 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [1,0,0,0,1,0|1,0,0]=3 2403 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [1,0,0,0,1,0|1,0,0]=3 2404 B10R0.27 C=C(C)CCN(CC)CCO 2230a_100000210973_100000730704 [1,0,0,0,0,1|2,0,0]=4 2405 B10R0.27 C=C(C)CCN(CC)CCO 269982a_100000210973_100000730704 [1,0,0,0,0,1|2,0,0]=4 2406 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [1,0,0,0,0,1|2,0,0]=4 2407 B10R0.27 CCCN(CC)CCC(=O)C 269982a_100000226822_100000053229 [1,0,0,0,0,1|2,0,0]=4 2408 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100000226822_100000744528 [1,0,0,0,0,1|2,0,0]=4 2409 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100020645749_100000210303 [1,0,0,0,0,1|2,0,0]=4 2410 B10R0.27 CCCN(CC)CCC(=O)N 269982a_100000226822_100000744528 [1,0,0,0,0,1|2,0,0]=4 2411 B10R0.27 CCCN(CC)COC(=O)C 269982a_100000226822_100000076356 [1,0,0,0,0,1|2,0,0]=4 2412 B10R0.27 CCN(CC=C(C)C)CCO 2230a_100000210973_100000761012 [1,0,0,0,0,1|2,0,0]=4 2413 B10R0.27 CCN(CC=C(C)C)CCO 269982a_100000210973_100000761012 [1,0,0,0,0,1|2,0,0]=4 2414 B10R0.27 CCN(CCF)CCC(=O)N 2230a_100020645749_100011217306 [1,0,0,0,0,1|2,0,0]=4 2415 B10R0.27 CCN(CCO)CCC(=O)C 269982a_100000210973_100000053229 [1,0,0,0,0,1|1,0,0]=3 2416 B10R0.27 CCN(CCO)CCC(=O)N 2230a_100000210973_100000744528 [1,0,0,0,0,1|1,0,0]=3 2417 B10R0.27 CCN(CCO)CCC(=O)N 2230a_100020645749_100000211926 [1,0,0,0,0,1|1,0,0]=3 2418 B10R0.27 CCN(CCO)CCC(=O)N 269982a_100000210973_100000744528 [1,0,0,0,0,1|1,0,0]=3 2419 B10R0.27 CCN(CCO)CCC(C)O 2230a_100000210973_100012276601 [1,0,0,0,0,1|1,0,1]=4 2420 B10R0.27 CCN(CCO)CCC(C)O 269982a_100000210973_100012276601 [1,0,0,0,0,1|1,0,1]=4 2421 B10R0.27 CCN(CCO)COC(=O)C 269982a_100000210973_100000076356 [1,0,0,0,0,1|1,0,0]=3 2422 B12R0.164 CC(=CCCN(CCO)CCO)C 2230a_100000210587_100011217483 [0,0,0,0,0,2|2,0,0]=4 2423 B12R0.164 CC(=CCCN(CCO)CCO)C 269982a_100000210587_100011217483 [0,0,0,0,0,2|2,0,0]=4 2424 B12R0.164 CC(=O)CCCN(CCO)CCO 269982a_100000210587_100011215641 [0,0,0,0,0,2|1,0,0]=3 2425 B12R0.164 CC(=O)NCCN(CCO)CCO 2230a_100000210587_100000189650 [0,0,0,0,0,2|1,0,0]=3 2426 B12R0.164 CC(=O)NCCN(CCO)CCO 240690a_100011217840_100015343762 [0,0,0,0,0,2|1,0,0]=3 2427 B12R0.164 CC(=O)NCCN(CCO)CCO 269982a_100000210587_100000189650 [0,0,0,0,0,2|1,0,0]=3 2428 B12R0.164 CC(=O)OCCN(CCO)CCO 269982a_100000210587_100009814007 [0,0,0,0,0,2|1,0,0]=3 2429 B12R0.164 CC(O)CCCN(CCO)CCO 2230a_100000210587_200000718107 [0,0,0,0,0,2|1,0,1]=4 2430 B12R0.164 CC(O)CCCN(CCO)CCO 269982a_100000210587_200000718107 [0,0,0,0,0,2|1,0,1]=4 2431 B12R0.164 CCCN(CCO)CCCC(=O)C 269982a_100000211420_100011215641 [0,0,0,0,0,2|2,0,0]=4 2432 B12R0.164 CCCN(CCO)CCCC(=O)N 269982a_100000211420_100102525003 [0,0,0,0,0,2|2,0,0]=4 2433 B12R0.164 CCCN(CCO)CCNC(=O)C 2230a_100000211420_100000189650 [0,0,0,0,0,2|2,0,0]=4 2434 B12R0.164 CCCN(CCO)CCNC(=O)C 269982a_100000211420_100000189650 [0,0,0,0,0,2|2,0,0]=4 2435 B12R0.164 CCCN(CCO)CCNC(=O)N 2230a_100000211420_200000034859 [0,0,0,0,0,2|2,0,0]=4 2436 B12R0.164 CCCN(CCO)CCNC(=O)N 269982a_100000211420_200000034859 [0,0,0,0,0,2|2,0,0]=4 2437 B12R0.164 CCCN(CCO)CCOC(=O)C 269982a_100000211420_100009814007 [0,0,0,0,0,2|2,0,0]=4 2438 B12R0.164 CCCN(CCO)CCOC(=O)N 269982a_100000211420_200011214921 [0,0,0,0,0,2|2,0,0]=4 2439 B12R0.164 NC(=O)CCCN(CCO)CCO 269982a_100000210587_100102525003 [0,0,0,0,0,2|1,0,0]=3 2440 B12R0.164 NC(=O)NCCN(CCO)CCO 2230a_100000210587_200000034859 [0,0,0,0,0,2|1,0,0]=3 2441 B12R0.164 NC(=O)NCCN(CCO)CCO 269982a_100000210587_200000034859 [0,0,0,0,0,2|1,0,0]=3 2442 B12R0.164 NC(=O)OCCN(CCO)CCO 269982a_100000210587_200011214921 [0,0,0,0,0,2|1,0,0]=3 2443 B12R0.164 OCCN(C/C=C/B(O)O)CCO 2230a_100000210587_100016262062 [0,0,0,0,0,2|1,0,1]=4 2444 B12R0.164 OCCN(C/C=C/B(O)O)CCO 269982a_100000210587_100016262062 [0,0,0,0,0,2|1,0,1]=4 2445 B12R0.164 OCCN(CCO)CCC=C(F)F 2230a_100000210587_200009816681 [0,0,0,0,0,2|2,0,0]=4 2446 B12R0.164 OCCN(CCO)CCC=C(F)F 269982a_100000210587_200009816681 [0,0,0,0,0,2|2,0,0]=4