0 B10R0.82 C=C(C)C(C)NCC(=O)NC 269862a_100000693194_100011216138 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.82 CCC(=O)COC(F)C(=O)N 34a_100000725409_100009813875 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.82 CCC(=O)COC(F)C(=O)[O-] 34a_100000725409_100020610796 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,0,0,0,0,0|4,0,0]=4 9 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100000747405_100009813875 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100009813875_100000747405 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100000747405_100020610796 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747405 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.82 CNC(=O)CCC(=C(F)F)F 11a_106832991635_200000036841 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.82 CNC(=O)CCC(=C(F)F)F 240690a_100102657272_200000036841 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.82 CNC(=O)CCC(=C(F)F)F 527a_100102657272_200000036841 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_100000750875_100015343762 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_106832991635_100011216537 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.82 CNC(=O)CCN(C)C(=O)C 1626a_100102657272_100011216537 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100000750875_100015343762 [0,0,0,0,0,0|3,0,0]=3 23 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100102657272_100011216537 [0,0,0,0,0,0|3,0,0]=3 24 B10R0.82 CNC(=O)CCN(C)C(=O)C 527a_100000750875_100103153847 [0,0,0,0,0,0|3,0,0]=3 25 B10R0.82 CNC(=O)CNC(=O)C(=O)N 240690a_100000693194_100011215815 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.82 CNC(=O)CNC(C)C(=O)C 2230a_100000693194_100009814033 [0,0,0,0,0,0|3,0,0]=3 27 B10R0.82 CNC(=O)CNC(C)C(=O)N 2230a_100000693194_100000702099 [0,0,0,0,0,0|3,0,0]=3 28 B10R0.82 CNC(=O)CNC(F)C(=O)N 2230a_100000693194_100009813875 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,0,0,0,0,0|2,0,0]=2 30 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183359 [0,0,0,0,0,0|3,0,0]=3 31 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183359 [0,0,0,0,0,0|3,0,0]=3 32 B10R0.82 CNC(=O)COC(C)C(=O)C 34a_100000212229_100000183359 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.82 CNC(=O)COC(C)C(=O)N 34a_100000750040_100000702099 [0,0,0,0,0,0|3,0,0]=3 34 B10R0.82 CNC(=O)COC(F)C(=O)N 34a_100000750040_100009813875 [0,0,0,0,0,0|3,0,0]=3 35 B10R0.82 CNC(=O)COC(F)C(=O)[O-] 34a_100000750040_100020610796 [0,0,0,0,0,0|2,0,1]=3 36 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183359 [0,0,0,0,0,0|2,0,1]=3 37 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183359 [0,0,0,0,0,0|3,0,0]=3 38 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183359 [0,0,0,0,0,0|3,0,0]=3 39 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100000183359_100009814033 [0,0,0,0,0,0|3,0,0]=3 40 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183359 [0,0,0,0,0,0|3,0,0]=3 41 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000183359_100000702099 [0,0,0,0,0,0|3,0,0]=3 42 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183359 [0,0,0,0,0,0|3,0,0]=3 43 B10R0.82 CNC(=O)CSC(F)C(=O)N 62a_100000183359_100009813875 [0,0,0,0,0,0|3,0,0]=3 44 B10R0.82 CNC(=O)CSC(F)C(=O)N 62a_100009813875_100000183359 [0,0,0,0,0,0|3,0,0]=3 45 B10R0.82 CNC(=O)CSC(F)C(=O)[O-] 62a_100000183359_100020610796 [0,0,0,0,0,0|2,0,1]=3 46 B10R0.82 CNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000183359 [0,0,0,0,0,0|2,0,1]=3 47 B10R0.82 COC(=O)CCN(C)C(=O)C 11a_100025711912_100015343762 [0,0,0,0,0,0|4,0,0]=4 48 B10R0.82 COC(=O)CCN(C)C(=O)C 1626a_100025711912_100015343762 [0,0,0,0,0,0|4,0,0]=4 49 B10R0.82 COC(=O)CCN(C)C(=O)C 240690a_100025711912_100015343762 [0,0,0,0,0,0|4,0,0]=4 50 B10R0.82 COC(=O)CCN(C)C(=O)C 527a_100025711912_100103153847 [0,0,0,0,0,0|4,0,0]=4 51 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,0,0,0,0,0|3,0,0]=3 52 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747449 [0,0,0,0,0,0|4,0,0]=4 53 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000747449 [0,0,0,0,0,0|4,0,0]=4 54 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,0,0,0,0,0|4,0,0]=4 55 B10R0.82 COC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747449 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000747449 [0,0,0,0,0,0|4,0,0]=4 57 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747449 [0,0,0,0,0,0|4,0,0]=4 58 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,0,0,0,0,0|4,0,0]=4 59 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,0,0,0,0,0|4,0,0]=4 60 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000702099_100000747449 [0,0,0,0,0,0|4,0,0]=4 61 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000747449_100000702099 [0,0,0,0,0,0|4,0,0]=4 62 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100000747449_100009813875 [0,0,0,0,0,0|4,0,0]=4 63 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100009813875_100000747449 [0,0,0,0,0,0|4,0,0]=4 64 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100000747449_100020610796 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747449 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [1,0,0,0,0,0|3,0,0]=4 69 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [1,0,0,0,0,0|3,0,0]=4 73 B9R0.1 C=C(F)CNCC(=O)NC 2230a_100000693194_100009893438 [1,0,0,0,0,0|3,0,0]=4 74 B9R0.1 C=C(F)COCC(=O)NC 34a_100000750040_100009893438 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.1 C=C(F)COCC(=O)NC 34a_200010262243_100000183359 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000042424_100000183359 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000183359_100000042424 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,0,0,0,0,0|2,0,0]=3 82 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,0,0,0,0,0|2,0,0]=3 83 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [1,0,0,0,0,0|3,0,0]=4 91 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [1,0,0,0,0,0|3,0,0]=4 92 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [1,0,0,0,0,0|3,0,0]=4 104 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,0,0,0,0,0|1,0,0]=2 105 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [1,0,0,0,0,0|2,0,1]=4 106 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [1,0,0,0,0,0|1,0,1]=3 110 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [1,0,0,0,0,0|1,0,1]=3 111 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [1,0,0,0,0,0|3,0,0]=4 112 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [1,0,0,0,0,0|3,0,0]=4 113 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [1,0,0,0,0,0|3,0,0]=4 114 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [1,0,0,0,0,0|3,0,0]=4 115 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [1,0,0,0,0,0|1,0,1]=3 116 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [1,0,0,0,0,0|1,0,1]=3 117 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [1,0,0,0,0,0|1,0,1]=3 118 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [1,0,0,0,0,0|1,0,1]=3 119 B9R0.1 CNC(=O)CCN=C(N)N 240690a_100102657272_100000033030 [1,0,0,0,0,0|3,0,0]=4 120 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [1,0,0,0,0,0|2,0,0]=3 121 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [1,0,0,0,0,0|2,0,0]=3 122 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [1,0,0,0,0,0|2,0,0]=3 123 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [1,0,0,0,0,0|2,0,0]=3 124 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [1,0,0,0,0,0|2,0,0]=3 125 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [1,0,0,0,0,0|2,0,0]=3 126 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [1,0,0,0,0,0|2,0,0]=3 127 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [1,0,0,0,0,0|2,0,0]=3 128 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [1,0,0,0,0,0|2,0,0]=3 129 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [1,0,0,0,0,0|2,0,0]=3 130 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [1,0,0,0,0,0|2,0,0]=3 131 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [1,0,0,0,0,0|2,0,0]=3 132 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [1,0,0,0,0,0|2,0,0]=3 133 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [1,0,0,0,0,0|1,0,0]=2 134 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [1,0,0,0,0,0|2,0,1]=4 135 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [1,0,0,0,0,0|2,0,1]=4 138 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [1,0,0,0,0,0|2,0,0]=3 139 B9R0.1 CNC(=O)COCC(=O)N 1626a_100102657272_100011219004 [1,0,0,0,0,0|2,0,0]=3 140 B9R0.1 CNC(=O)COCC(=O)N 240690a_100102657272_100011219004 [1,0,0,0,0,0|2,0,0]=3 141 B9R0.1 CNC(=O)COCC(=O)N 34a_100000750040_100000187820 [1,0,0,0,0,0|2,0,0]=3 142 B9R0.1 CNC(=O)COCC(=O)N 527a_100102657272_100011219004 [1,0,0,0,0,0|2,0,0]=3 143 B9R0.1 CNC(=O)COCC(=O)[O-] 34a_100000750040_100020667443 [1,0,0,0,0,0|1,0,1]=3 144 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [1,0,0,0,0,0|2,0,1]=4 145 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [1,0,0,0,0,0|2,0,1]=4 146 B9R0.1 CNC(=O)COC[N+](=O)[O-] 34a_100000750040_100000761209 [1,0,0,0,0,0|2,0,1]=4 147 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [1,0,0,0,0,0|2,0,0]=3 148 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [1,0,0,0,0,0|2,0,0]=3 149 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [1,0,0,0,0,0|2,0,0]=3 150 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [1,0,0,0,0,0|2,0,0]=3 151 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [1,0,0,0,0,0|2,0,0]=3 152 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [1,0,0,0,0,0|1,0,1]=3 153 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [1,0,0,0,0,0|1,0,1]=3 154 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [1,0,0,0,0,0|2,0,1]=4 155 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [1,0,0,0,0,0|2,0,1]=4 156 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [1,0,0,0,0,0|2,0,1]=4 157 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [1,0,0,0,0,0|2,0,1]=4 158 B9R0.1 CNC(=O)CSC[N+](=O)[O-] 62a_100000183359_100000761209 [1,0,0,0,0,0|2,0,1]=4 159 B9R0.1 CNC(=O)NCCC(=O)N 2708a_100102657272_100000740010 [1,0,0,0,0,0|2,0,0]=3 160 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100000740010_100102657272 [1,0,0,0,0,0|2,0,0]=3 161 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100102657272_100000740010 [1,0,0,0,0,0|2,0,0]=3 162 B9R0.1 CNC(=O)NCCC(=O)N 512a_106832991638_100000740010 [1,0,0,0,0,0|2,0,0]=3 163 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [1,0,0,0,0,0|2,0,1]=4 164 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [1,0,0,0,0,0|2,0,1]=4 165 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [1,0,0,0,0,0|2,0,1]=4 166 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [1,0,0,0,0,0|2,0,1]=4 167 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [1,0,0,0,0,0|2,0,0]=3 168 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,0,0,0,0,0|2,0,0]=3 169 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,0,0,0,0,0|2,0,0]=3 170 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,0,0,0,0,0|2,0,0]=3 171 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,0,0,0,0,0|3,0,0]=4 172 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [1,0,0,0,0,0|3,0,0]=4 173 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,0,0,0,0,0|2,0,0]=3 174 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,0,0,0,0,0|3,0,0]=4 175 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,0,0,0,0,0|3,0,0]=4 176 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [1,0,0,0,0,0|3,0,0]=4 177 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [1,0,0,0,0,0|3,0,0]=4 178 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [1,0,0,0,0,0|2,0,1]=4 180 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [1,0,0,0,0,0|2,0,1]=4 181 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [1,0,0,0,0,0|3,0,0]=4 182 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [1,0,0,0,0,0|3,0,0]=4 183 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [1,0,0,0,0,0|3,0,0]=4 184 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [1,0,0,0,0,0|3,0,0]=4 185 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [1,0,0,0,0,0|3,0,0]=4 186 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [1,0,0,0,0,0|3,0,0]=4 187 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [1,0,0,0,0,0|3,0,0]=4 189 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [1,0,0,0,0,0|3,0,0]=4 190 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [1,0,0,0,0,0|2,0,1]=4 191 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [1,0,0,0,0,0|3,0,0]=4 192 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [1,0,0,0,0,0|3,0,0]=4 193 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [1,0,0,0,0,0|3,0,0]=4 194 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [1,0,0,0,0,0|3,0,0]=4 195 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [1,0,0,0,0,0|3,0,0]=4 197 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [1,0,0,0,0,0|3,0,0]=4 198 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [1,0,0,0,0,0|3,0,0]=4 199 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [1,0,0,0,0,0|3,0,0]=4 200 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [1,0,0,0,0,0|3,0,0]=4 201 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [1,0,0,0,0,0|3,0,0]=4 202 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [1,0,0,0,0,0|3,0,0]=4 203 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [1,0,0,0,0,0|3,0,0]=4 204 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [1,0,0,0,0,0|2,0,0]=3 205 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [1,0,0,0,0,0|3,0,0]=4 206 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [1,0,0,0,0,0|2,0,1]=4 207 B9R0.7 NC(=O)CNC(F)C(=O)N 2230a_100000711301_100009813875 [1,0,0,0,0,0|3,0,0]=4 208 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100000747473_100009813875 [1,0,0,0,0,0|3,0,0]=4 209 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100009813875_100000747473 [1,0,0,0,0,0|3,0,0]=4 210 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100000747473_100020610796 [1,0,0,0,0,0|2,0,1]=4 211 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747473 [1,0,0,0,0,0|2,0,1]=4 212 B9R0.24 C=CC(C)OCC(=O)NC 34a_100000695699_100000183359 [1,0,0,0,0,0|3,0,0]=4 213 B9R0.24 C=CC(C)SCC(=O)NC 62a_100011215867_100000183359 [1,0,0,0,0,0|3,0,0]=4 214 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [1,0,0,0,0,0|2,0,1]=4 215 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [1,0,0,0,0,0|2,0,1]=4 216 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [1,0,0,0,0,0|2,0,1]=4 217 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [1,0,0,0,0,0|2,0,1]=4 218 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [1,0,0,0,0,0|2,0,1]=4 219 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [1,0,0,0,0,0|2,0,1]=4 220 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [1,0,0,0,0,0|2,0,1]=4 221 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [1,0,0,0,0,0|2,0,1]=4 222 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [1,0,0,0,0,0|2,0,1]=4 223 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [1,0,0,0,0,0|2,0,1]=4 224 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [1,0,0,0,0,0|2,0,1]=4 225 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [1,0,0,0,0,0|2,0,1]=4 226 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [1,0,0,0,0,0|2,0,1]=4 227 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [1,0,0,0,0,0|2,0,1]=4 228 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [1,0,0,0,0,0|2,0,1]=4 229 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [1,0,0,0,0,0|2,0,1]=4 230 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [1,0,0,0,0,0|2,0,1]=4 231 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [1,0,0,0,0,0|2,0,1]=4 232 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [1,0,0,0,0,0|2,0,1]=4 233 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [1,0,0,0,0,0|2,0,1]=4 234 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [1,0,0,0,0,0|2,0,1]=4 235 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [1,0,0,0,0,0|2,0,1]=4 237 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [1,0,0,0,0,0|2,0,1]=4 238 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [1,0,0,0,0,0|2,0,1]=4 239 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [1,0,0,0,0,0|3,0,0]=4 240 B11R0.90 C=C[C@H](NCC(=O)CC)C(=O)O 269956a_100016992060_100000747405 [0,1,0,0,0,0|3,0,0]=4 241 B11R0.90 C=C[C@H](NCC(=O)NC)C(=O)O 269956a_100016992060_100000183359 [0,1,0,0,0,0|2,0,0]=3 242 B11R0.90 C=C[C@H](NCC(=O)OC)C(=O)O 269956a_100016992060_100000747449 [0,1,0,0,0,0|3,0,0]=4 243 B11R0.90 CCC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747405 [0,1,0,0,0,0|3,0,0]=4 244 B11R0.90 CCC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000747405 [0,1,0,0,0,0|3,0,0]=4 245 B11R0.90 CCC(NCC(=O)NC)C(=O)N 2230a_100000693194_100000750255 [0,1,0,0,0,0|3,0,0]=4 246 B11R0.90 CCC(NCC(=O)NC)C(=O)N 2230a_100000733705_100000183359 [0,1,0,0,0,0|3,0,0]=4 247 B11R0.90 CCC(NCC(=O)NC)C(=O)N 34a_100000733705_100000183359 [0,1,0,0,0,0|3,0,0]=4 248 B11R0.90 CCC(OCC(=O)NC)C(=O)N 34a_100000750040_100000750255 [0,1,0,0,0,0|3,0,0]=4 249 B11R0.90 CCC(SCC(=O)NC)C(=O)N 62a_100000183359_100000750255 [0,1,0,0,0,0|3,0,0]=4 250 B11R0.90 CCC(SCC(=O)NC)C(=O)N 62a_100000750255_100000183359 [0,1,0,0,0,0|3,0,0]=4 251 B11R0.90 CC[C@@H](NCC(=O)NC)C(=O)O 269956a_100000747097_100000183359 [0,1,0,0,0,0|2,0,0]=3 252 B11R0.90 CC[C@@H](NCC(=O)OC)C(=O)O 269956a_100000747097_100000747449 [0,1,0,0,0,0|3,0,0]=4 253 B11R0.90 CNC(=O)CNC(C#N)C(=O)N 2230a_100000039599_100000183359 [0,1,0,0,0,0|2,0,1]=4 254 B11R0.90 CNC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000183359 [0,1,0,0,0,0|2,0,0]=3 255 B11R0.90 CNC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000183359 [0,1,0,0,0,0|3,0,0]=4 256 B11R0.90 CNC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000183359 [0,1,0,0,0,0|3,0,0]=4 257 B11R0.90 COC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747449 [0,1,0,0,0,0|3,0,0]=4 258 B11R0.92 CCC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747405 [0,1,0,0,0,0|3,0,0]=4 259 B11R0.92 CNC(=O)CC(C)N(C)C(=O)C 11a_100015186911_100015343762 [0,1,0,0,0,0|3,0,0]=4 260 B11R0.92 CNC(=O)CC(C)N(C)C(=O)C 1626a_100015186911_100015343762 [0,1,0,0,0,0|3,0,0]=4 261 B11R0.92 CNC(=O)CC(C)N(C)C(=O)C 240690a_100015186911_100015343762 [0,1,0,0,0,0|3,0,0]=4 262 B11R0.92 CNC(=O)CC(C)N(C)C(=O)C 527a_100015186911_100103153847 [0,1,0,0,0,0|3,0,0]=4 263 B11R0.92 CNC(=O)CN(C)C(C)C(=O)C 2230a_100000189611_100009814033 [0,1,0,0,0,0|3,0,0]=4 264 B11R0.92 CNC(=O)CN(C)C(C)C(=O)N 2230a_100000189611_100000702099 [0,1,0,0,0,0|3,0,0]=4 265 B11R0.92 CNC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000183359 [0,1,0,0,0,0|2,0,0]=3 266 B11R0.92 CNC(=O)CN(C)C(F)C(=O)N 2230a_100000189611_100009813875 [0,1,0,0,0,0|3,0,0]=4 267 B11R0.92 COC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747449 [0,1,0,0,0,0|3,0,0]=4 268 B11R0.117 CCC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000742827 [0,1,0,0,0,0|3,0,0]=4 269 B11R0.117 CNC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000209862 [0,1,0,0,0,0|2,0,0]=3 270 B11R0.117 CNC(=O)C(C)N[C@H](C)C(=O)N 2230a_100000119354_100000731044 [0,1,0,0,0,0|3,0,0]=4 271 B11R0.117 CNC(=O)C(C)N[C@H](C)C(=O)N 34a_100000119354_100000731044 [0,1,0,0,0,0|3,0,0]=4 272 B11R0.117 CNC(=O)C(C)OC(C)C(=O)C 34a_100000212229_100000731044 [0,1,0,0,0,0|3,0,0]=4 273 B11R0.117 CNC(=O)C(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000209862 [0,1,0,0,0,0|2,0,1]=4 274 B11R0.117 CNC(=O)C(C)O[C@H](C)C(=O)N 34a_100000731257_100000731044 [0,1,0,0,0,0|3,0,0]=4 275 B11R0.117 CNC(=O)C(C)O[C@H](C)C(=O)N 7a_100000731257_100000209862 [0,1,0,0,0,0|3,0,0]=4 276 B11R0.117 CNC(=O)C(C)SC(C)C(=O)C 62a_100000209862_100009814033 [0,1,0,0,0,0|3,0,0]=4 277 B11R0.117 CNC(=O)C(C)SC(C)C(=O)C 62a_100009814033_100000731044 [0,1,0,0,0,0|3,0,0]=4 278 B11R0.117 CNC(=O)C(C)SC(C)C(=O)N 62a_100000209862_100000702099 [0,1,0,0,0,0|3,0,0]=4 279 B11R0.117 CNC(=O)C(C)SC(C)C(=O)N 62a_100000702099_100000731044 [0,1,0,0,0,0|3,0,0]=4 280 B11R0.117 CNC(=O)C(C)SC(F)C(=O)N 62a_100000209862_100009813875 [0,1,0,0,0,0|3,0,0]=4 281 B11R0.117 CNC(=O)C(C)SC(F)C(=O)N 62a_100009813875_100000731044 [0,1,0,0,0,0|3,0,0]=4 282 B11R0.117 CNC(=O)C(C)SC(F)C(=O)[O-] 62a_100000209862_100020610796 [0,1,0,0,0,0|2,0,1]=4 283 B11R0.117 CNC(=O)C(C)SC(F)C(=O)[O-] 62a_100020610796_100000731044 [0,1,0,0,0,0|2,0,1]=4 284 B11R0.117 CNC(=O)C(F)N[C@H](C)C(=O)N 2230a_100000119354_100009813575 [0,1,0,0,0,0|3,0,0]=4 285 B11R0.117 CNC(=O)C(F)N[C@H](C)C(=O)N 34a_100000119354_100009813575 [0,1,0,0,0,0|3,0,0]=4 286 B11R0.117 CNC(=O)C(F)OC(C)C(=O)C 34a_100000212229_100009813575 [0,1,0,0,0,0|3,0,0]=4 287 B11R0.117 CNC(=O)C(F)O[C@@H](C)C(=O)[O-] 7a_217856618621_100009813575 [0,1,0,0,0,0|2,0,1]=4 288 B11R0.117 CNC(=O)C(F)O[C@H](C)C(=O)N 34a_100000731257_100009813575 [0,1,0,0,0,0|3,0,0]=4 289 B11R0.117 CNC(=O)C(F)O[C@H](C)C(=O)N 7a_100000731257_100009813575 [0,1,0,0,0,0|3,0,0]=4 290 B11R0.117 CNC(=O)C(F)SC(C)C(=O)C 62a_100009813575_100009814033 [0,1,0,0,0,0|3,0,0]=4 291 B11R0.117 CNC(=O)C(F)SC(C)C(=O)C 62a_100009814033_100009813575 [0,1,0,0,0,0|3,0,0]=4 292 B11R0.117 CNC(=O)C(F)SC(C)C(=O)N 62a_100000702099_100009813575 [0,1,0,0,0,0|3,0,0]=4 293 B11R0.117 CNC(=O)C(F)SC(C)C(=O)N 62a_100009813575_100000702099 [0,1,0,0,0,0|3,0,0]=4 294 B11R0.117 CNC(=O)C(F)SC(F)C(=O)N 62a_100009813575_100009813875 [0,1,0,0,0,0|3,0,0]=4 295 B11R0.117 CNC(=O)C(F)SC(F)C(=O)N 62a_100009813875_100009813575 [0,1,0,0,0,0|3,0,0]=4 296 B11R0.117 CNC(=O)C(F)SC(F)C(=O)[O-] 62a_100009813575_100020610796 [0,1,0,0,0,0|2,0,1]=4 297 B11R0.117 CNC(=O)C(F)SC(F)C(=O)[O-] 62a_100020610796_100009813575 [0,1,0,0,0,0|2,0,1]=4 298 B11R0.117 CNC(=O)[C@@H](C)NC(C)C(=O)C 2230a_100000684985_100009814033 [0,1,0,0,0,0|3,0,0]=4 299 B11R0.117 CNC(=O)[C@@H](C)NC(C)C(=O)N 2230a_100000684985_100000702099 [0,1,0,0,0,0|3,0,0]=4 300 B11R0.117 CNC(=O)[C@@H](C)NC(C)C(=O)N 34a_100000684985_100000702099 [0,1,0,0,0,0|3,0,0]=4 301 B11R0.117 CNC(=O)[C@@H](C)NC(F)C(=O)N 2230a_100000684985_100009813875 [0,1,0,0,0,0|3,0,0]=4 302 B11R0.117 CNC(=O)[C@@H](C)NC(F)C(=O)N 34a_100000684985_100009813875 [0,1,0,0,0,0|3,0,0]=4 303 B11R0.117 CNC(=O)[C@@H](C)NC(F)C(=O)[O-] 34a_100000684985_100020610796 [0,1,0,0,0,0|2,0,1]=4 304 B11R0.120 C#CC(=O)CCC(C)C(=O)OC 1458a_100000211873_100000034942 [0,1,0,0,0,0|2,0,1]=4 305 B11R0.120 C=CC(=O)CCC(C)C(=O)OC 1458a_100000185746_100000034942 [0,1,0,0,0,0|2,0,1]=4 306 B11R0.120 C=CC(=O)N(C)CCC(=O)NC 240690a_100000750875_200121576911 [0,1,0,0,0,0|3,0,0]=4 307 B11R0.120 CCC(=O)C(C)NCC(=O)NC 2230a_100000693194_100000742827 [0,1,0,0,0,0|3,0,0]=4 308 B11R0.120 CCC(=O)C(C)SCC(=O)NC 62a_100000183359_100000742827 [0,1,0,0,0,0|3,0,0]=4 309 B11R0.120 CCC(=O)C(C)SCC(=O)NC 62a_100000742827_100000183359 [0,1,0,0,0,0|3,0,0]=4 310 B11R0.120 CCC(=O)CCC(C)C(=O)OC 1458a_100000210414_100000034942 [0,1,0,0,0,0|2,0,0]=3 311 B11R0.120 CCC(=O)COC(C)C(=O)OC 34a_100000725409_100000211248 [0,1,0,0,0,0|3,0,0]=4 312 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747405 [0,1,0,0,0,0|3,0,0]=4 313 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000747405_100000211248 [0,1,0,0,0,0|3,0,0]=4 314 B11R0.120 CCC(=O)N(C)CCC(=O)NC 11a_100000750875_100000210414 [0,1,0,0,0,0|3,0,0]=4 315 B11R0.120 CCC(=O)N(C)CCC(=O)NC 240690a_100000750875_100000210414 [0,1,0,0,0,0|3,0,0]=4 316 B11R0.120 CCC(=O)N(C)CCC(=O)NC 527a_100000750875_100000210414 [0,1,0,0,0,0|3,0,0]=4 317 B11R0.120 CCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000210414 [0,1,0,0,0,0|3,0,0]=4 318 B11R0.120 CNC(=O)CCN(C)C(=O)CO 240690a_100000750875_100000210174 [0,1,0,0,0,0|2,0,0]=3 319 B11R0.120 CNC(=O)CCN(C)C(=O)CO 527a_100000750875_100000210174 [0,1,0,0,0,0|2,0,0]=3 320 B11R0.120 CNC(=O)CCN(C)C(=O)NC 2708a_100102657272_100000750875 [0,1,0,0,0,0|3,0,0]=4 321 B11R0.120 CNC(=O)CCN(C)C(=O)NC 273464a_100102657272_100000750875 [0,1,0,0,0,0|3,0,0]=4 322 B11R0.120 CNC(=O)CNC(=O)C(=O)OC 11a_100000693194_100000024059 [0,1,0,0,0,0|2,0,1]=4 323 B11R0.120 CNC(=O)CNC(=O)C(=O)OC 240690a_100000693194_100000024059 [0,1,0,0,0,0|2,0,1]=4 324 B11R0.120 CNC(=O)CNC(=O)C(=O)OC 527a_100000693194_100000024059 [0,1,0,0,0,0|2,0,1]=4 325 B11R0.120 CNC(=O)CNC(C)C(=O)NC 2230a_100000693194_100000731044 [0,1,0,0,0,0|3,0,0]=4 326 B11R0.120 CNC(=O)CNC(C)C(=O)OC 2230a_100000693194_100000211248 [0,1,0,0,0,0|2,0,0]=3 327 B11R0.120 CNC(=O)CNC(F)C(=O)NC 2230a_100000693194_100009813575 [0,1,0,0,0,0|3,0,0]=4 328 B11R0.120 CNC(=O)CN[C@H](C)C(=O)NC 2230a_100000684985_100000183359 [0,1,0,0,0,0|3,0,0]=4 329 B11R0.120 CNC(=O)CN[C@H](C)C(=O)NC 34a_100000684985_100000183359 [0,1,0,0,0,0|3,0,0]=4 330 B11R0.120 CNC(=O)COC(C)C(=O)NC 34a_100000750040_100000731044 [0,1,0,0,0,0|3,0,0]=4 331 B11R0.120 CNC(=O)COC(C)C(=O)NN 34a_100000725659_100000183359 [0,1,0,0,0,0|3,0,0]=4 332 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100000750040_100000211248 [0,1,0,0,0,0|2,0,0]=3 333 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100011215400_100000183359 [0,1,0,0,0,0|2,0,0]=3 334 B11R0.120 CNC(=O)COC(F)C(=O)NC 34a_100000750040_100009813575 [0,1,0,0,0,0|3,0,0]=4 335 B11R0.120 CNC(=O)CSC(C)C(=O)NC 62a_100000183359_100000731044 [0,1,0,0,0,0|3,0,0]=4 336 B11R0.120 CNC(=O)CSC(C)C(=O)NC 62a_100000209862_100000183359 [0,1,0,0,0,0|3,0,0]=4 337 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000183359_100000211248 [0,1,0,0,0,0|2,0,0]=3 338 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000211248_100000183359 [0,1,0,0,0,0|2,0,0]=3 339 B11R0.120 CNC(=O)CSC(F)C(=O)NC 62a_100000183359_100009813575 [0,1,0,0,0,0|3,0,0]=4 340 B11R0.120 CNC(=O)CSC(F)C(=O)NC 62a_100009813575_100000183359 [0,1,0,0,0,0|3,0,0]=4 341 B11R0.120 CNC(=O)NCC(C)C(=O)NC 2708a_100102657272_100015187722 [0,1,0,0,0,0|3,0,0]=4 342 B11R0.120 CNC(=O)NCC(C)C(=O)NC 273464a_100015187722_100102657272 [0,1,0,0,0,0|3,0,0]=4 343 B11R0.120 CNC(=O)NCC(C)C(=O)NC 512a_100015187722_100102657272 [0,1,0,0,0,0|3,0,0]=4 344 B11R0.120 CNC(=O)NCC(C)C(=O)NC 512a_106832991638_100015187722 [0,1,0,0,0,0|3,0,0]=4 345 B11R0.120 COC(=O)C(C)CCC(=O)CO 1458a_100000210174_100000034942 [0,1,0,0,0,0|3,0,0]=4 346 B11R0.120 COC(=O)CCN(C)C(=O)CO 240690a_100025711912_100000210174 [0,1,0,0,0,0|3,0,0]=4 347 B11R0.120 COC(=O)CCN(C)C(=O)CO 527a_100025711912_100000210174 [0,1,0,0,0,0|3,0,0]=4 348 B11R0.120 COC(=O)COC(C)C(=O)OC 34a_100011215400_100000747449 [0,1,0,0,0,0|3,0,0]=4 349 B11R0.120 COC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747449 [0,1,0,0,0,0|3,0,0]=4 350 B11R0.120 COC(=O)CSC(C)C(=O)OC 62a_100000747449_100000211248 [0,1,0,0,0,0|3,0,0]=4 351 B11R0.141 CC(=O)C(C)OCC(=O)NCO 34a_100000212229_100000185155 [0,1,0,0,0,0|3,0,0]=4 352 B11R0.141 CC(=O)C(C)SCC(=O)NCO 62a_100000185155_100009814033 [0,1,0,0,0,0|3,0,0]=4 353 B11R0.141 CC(=O)C(C)SCC(=O)NCO 62a_100009814033_100000185155 [0,1,0,0,0,0|3,0,0]=4 354 B11R0.141 CC(SCC(=O)NCO)C(=O)N 62a_100000185155_100000702099 [0,1,0,0,0,0|3,0,0]=4 355 B11R0.141 CC(SCC(=O)NCO)C(=O)N 62a_100000702099_100000185155 [0,1,0,0,0,0|3,0,0]=4 356 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747444 [0,1,0,0,0,0|3,0,0]=4 357 B11R0.141 CCNC(=O)CCN(C)C(=O)C 11a_100015525214_100011216537 [0,1,0,0,0,0|3,0,0]=4 358 B11R0.141 CCNC(=O)CCN(C)C(=O)C 240690a_100015525214_100011216537 [0,1,0,0,0,0|3,0,0]=4 359 B11R0.141 CCNC(=O)CNC(C)C(=O)C 2230a_100016988866_100009814033 [0,1,0,0,0,0|3,0,0]=4 360 B11R0.141 CCNC(=O)CNC(C)C(=O)N 2230a_100016988866_100000702099 [0,1,0,0,0,0|3,0,0]=4 361 B11R0.141 CCNC(=O)CNC(F)C(=O)N 2230a_100016988866_100009813875 [0,1,0,0,0,0|3,0,0]=4 362 B11R0.141 CCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183381 [0,1,0,0,0,0|2,0,0]=3 363 B11R0.141 CCNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183381 [0,1,0,0,0,0|3,0,0]=4 364 B11R0.141 CCNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183381 [0,1,0,0,0,0|3,0,0]=4 365 B11R0.141 CCNC(=O)COC(C)C(=O)C 34a_100000212229_100000183381 [0,1,0,0,0,0|3,0,0]=4 366 B11R0.141 CCNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183381 [0,1,0,0,0,0|2,0,1]=4 367 B11R0.141 CCNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183381 [0,1,0,0,0,0|3,0,0]=4 368 B11R0.141 CCNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183381 [0,1,0,0,0,0|3,0,0]=4 369 B11R0.141 CCNC(=O)CSC(C)C(=O)C 62a_100000183381_100009814033 [0,1,0,0,0,0|3,0,0]=4 370 B11R0.141 CCNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183381 [0,1,0,0,0,0|3,0,0]=4 371 B11R0.141 CCNC(=O)CSC(C)C(=O)N 62a_100000183381_100000702099 [0,1,0,0,0,0|3,0,0]=4 372 B11R0.141 CCNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183381 [0,1,0,0,0,0|3,0,0]=4 373 B11R0.141 CCNC(=O)CSC(F)C(=O)N 62a_100000183381_100009813875 [0,1,0,0,0,0|3,0,0]=4 374 B11R0.141 CCNC(=O)CSC(F)C(=O)N 62a_100009813875_100000183381 [0,1,0,0,0,0|3,0,0]=4 375 B11R0.141 CCNC(=O)CSC(F)C(=O)[O-] 62a_100000183381_100020610796 [0,1,0,0,0,0|2,0,1]=4 376 B11R0.141 CCNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000183381 [0,1,0,0,0,0|2,0,1]=4 377 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,1,0,0,0,0|3,0,0]=4 378 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,1,0,0,0,0|3,0,0]=4 379 B11R0.141 CNNC(=O)CCN(C)C(=O)C 22a_100016993582_100011216537 [0,1,0,0,0,0|3,0,0]=4 380 B11R0.141 C[C@@H](NCC(=O)NCO)C(=O)N 2230a_100000119354_100000185155 [0,1,0,0,0,0|3,0,0]=4 381 B11R0.141 C[C@@H](NCC(=O)NCO)C(=O)N 34a_100000119354_100000185155 [0,1,0,0,0,0|3,0,0]=4 382 B11R0.141 C[C@@H](OCC(=O)NCO)C(=O)N 34a_100000731257_100000185155 [0,1,0,0,0,0|3,0,0]=4 383 B11R0.141 C[C@@H](OCC(=O)NCO)C(=O)N 7a_100000731257_100000185155 [0,1,0,0,0,0|3,0,0]=4 384 B11R0.141 C[C@H](NCC(=O)NCO)C(=O)O 269956a_100000743915_100000185155 [0,1,0,0,0,0|2,0,0]=3 385 B11R0.141 C[C@H](OCC(=O)NCO)C(=O)[O-] 7a_217856618621_100000185155 [0,1,0,0,0,0|2,0,1]=4 386 B11R0.141 NC(=O)C(F)SCC(=O)NCO 62a_100000185155_100009813875 [0,1,0,0,0,0|3,0,0]=4 387 B11R0.141 NC(=O)C(F)SCC(=O)NCO 62a_100009813875_100000185155 [0,1,0,0,0,0|3,0,0]=4 388 B11R0.141 O=C(CSC(F)C(=O)[O-])NCO 62a_100000185155_100020610796 [0,1,0,0,0,0|2,0,1]=4 389 B11R0.141 O=C(CSC(F)C(=O)[O-])NCO 62a_100020610796_100000185155 [0,1,0,0,0,0|2,0,1]=4 390 B11R0.150 CC(=O)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011261029 [0,1,0,0,0,0|3,0,0]=4 391 B11R0.150 CC(=O)C(C)NCC(=O)N(C)C 2230a_100015183351_100009814033 [0,1,0,0,0,0|3,0,0]=4 392 B11R0.150 CC(=O)C(C)OCC(=O)N(C)C 34a_100000212229_100000692301 [0,1,0,0,0,0|3,0,0]=4 393 B11R0.150 CC(=O)C(C)SCC(=O)N(C)C 62a_100000692301_100009814033 [0,1,0,0,0,0|3,0,0]=4 394 B11R0.150 CC(=O)C(C)SCC(=O)N(C)C 62a_100009814033_100000692301 [0,1,0,0,0,0|3,0,0]=4 395 B11R0.150 CC(=O)N(C)CCC(=O)N(C)C 11a_100102631434_100011216537 [0,1,0,0,0,0|3,0,0]=4 396 B11R0.150 CC(=O)N(C)CCC(=O)N(C)C 1626a_100102631434_100011216537 [0,1,0,0,0,0|3,0,0]=4 397 B11R0.150 CC(=O)N(C)CCC(=O)N(C)C 240690a_100102631434_100011216537 [0,1,0,0,0,0|3,0,0]=4 398 B11R0.150 CC(C)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000753385 [0,1,0,0,0,0|3,0,0]=4 399 B11R0.150 CC(NCC(=O)N(C)C)C(=O)N 2230a_100015183351_100000702099 [0,1,0,0,0,0|3,0,0]=4 400 B11R0.150 CC(SCC(=O)N(C)C)C(=O)N 62a_100000692301_100000702099 [0,1,0,0,0,0|3,0,0]=4 401 B11R0.150 CC(SCC(=O)N(C)C)C(=O)N 62a_100000702099_100000692301 [0,1,0,0,0,0|3,0,0]=4 402 B11R0.150 CN(C)C(=O)CNC(F)C(=O)N 2230a_100015183351_100009813875 [0,1,0,0,0,0|3,0,0]=4 403 B11R0.150 CN(C)C(=O)CSC(F)C(=O)N 62a_100000692301_100009813875 [0,1,0,0,0,0|3,0,0]=4 404 B11R0.150 CN(C)C(=O)CSC(F)C(=O)N 62a_100009813875_100000692301 [0,1,0,0,0,0|3,0,0]=4 405 B11R0.150 CN(C)C(=O)CSC(F)C(=O)[O-] 62a_100000692301_100020610796 [0,1,0,0,0,0|2,0,1]=4 406 B11R0.150 CN(C)C(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000692301 [0,1,0,0,0,0|2,0,1]=4 407 B11R0.150 C[C@@H](NCC(=O)N(C)C)C(=O)N 2230a_100000119354_100000185267 [0,1,0,0,0,0|3,0,0]=4 408 B11R0.150 C[C@@H](NCC(=O)N(C)C)C(=O)N 34a_100000119354_100000692301 [0,1,0,0,0,0|3,0,0]=4 409 B11R0.150 C[C@@H](OCC(=O)N(C)C)C(=O)N 34a_100000731257_100000692301 [0,1,0,0,0,0|3,0,0]=4 410 B11R0.150 C[C@@H](OCC(=O)N(C)C)C(=O)N 7a_100000731257_100000692301 [0,1,0,0,0,0|3,0,0]=4 411 B11R0.150 C[C@H](NCC(=O)N(C)C)C(=O)O 269956a_100000743915_100000692301 [0,1,0,0,0,0|2,0,0]=3 412 B11R0.150 C[C@H](OCC(=O)N(C)C)C(=O)[O-] 7a_217856618621_100000692301 [0,1,0,0,0,0|2,0,1]=4 413 B11R0.201 CNC(=O)CCC(C)(C)[N+](=O)[O-] 11a_106832991635_100015194847 [0,1,0,0,0,0|2,0,1]=4 414 B11R0.201 CNC(=O)CCC(C)(C)[N+](=O)[O-] 1626a_100102657272_100015194847 [0,1,0,0,0,0|2,0,1]=4 415 B11R0.201 CNC(=O)CCC(C)(C)[N+](=O)[O-] 240690a_100102657272_100015194847 [0,1,0,0,0,0|2,0,1]=4 416 B11R0.201 CNC(=O)CCC(C)(C)[N+](=O)[O-] 527a_100102657272_100015194847 [0,1,0,0,0,0|2,0,1]=4 417 B11R0.201 CNC(=O)CNC(C)(C)C(=O)N 2230a_100000693194_100000702505 [0,1,0,0,0,0|3,0,0]=4 418 B11R0.201 CNC(=O)CNC(C)(C)C(=O)N 2230a_100000743658_100000183359 [0,1,0,0,0,0|3,0,0]=4 419 B11R0.201 CNC(=O)CNC(C)(C)C(=O)N 34a_100000743658_100000183359 [0,1,0,0,0,0|3,0,0]=4 420 B11R0.201 CNC(=O)COC(C)(C)C(=O)C 34a_100000747739_100000183359 [0,1,0,0,0,0|3,0,0]=4 421 B11R0.201 CNC(=O)COC(C)(C)C(=O)C 7a_100000747739_100000183359 [0,1,0,0,0,0|3,0,0]=4 422 B11R0.201 CNC(=O)COC(C)(C)C(=O)N 34a_100000750040_100000702505 [0,1,0,0,0,0|3,0,0]=4 423 B11R0.201 CNC(=O)COC(C)(C)C(=O)N 34a_100011626353_100000183359 [0,1,0,0,0,0|3,0,0]=4 424 B11R0.201 CNC(=O)COC(C)(C)C(=O)N 7a_100011626353_100000183359 [0,1,0,0,0,0|3,0,0]=4 425 B11R0.201 CNC(=O)COC(F)(F)C(=O)[O-] 34a_100000750040_100020612412 [0,1,0,0,0,0|2,0,1]=4 426 B11R0.201 CNC(=O)CSC(C)(C)C(=O)C 62a_100000075568_100000183359 [0,1,0,0,0,0|3,0,0]=4 427 B11R0.201 CNC(=O)CSC(C)(C)C(=O)C 62a_100000183359_100000075568 [0,1,0,0,0,0|3,0,0]=4 428 B11R0.201 CNC(=O)CSC(C)(C)C(=O)N 62a_100000183359_100000702505 [0,1,0,0,0,0|3,0,0]=4 429 B11R0.201 CNC(=O)CSC(C)(C)C(=O)N 62a_100000702505_100000183359 [0,1,0,0,0,0|3,0,0]=4 430 B11R0.201 CNC(=O)CSC(F)(F)C(=O)N 62a_100000183359_100009811971 [0,1,0,0,0,0|3,0,0]=4 431 B11R0.201 CNC(=O)CSC(F)(F)C(=O)N 62a_100009811971_100000183359 [0,1,0,0,0,0|3,0,0]=4 432 B11R0.201 CNC(=O)CSC(F)(F)C(=O)[O-] 62a_100000183359_100000745680 [0,1,0,0,0,0|2,0,1]=4 433 B11R0.201 CNC(=O)CSC(F)(F)C(=O)[O-] 62a_100000745680_100000183359 [0,1,0,0,0,0|2,0,1]=4 434 B11R0.201 CNC(=O)NCC(C)(C)C(=O)N 2708a_100102657272_100000740840 [0,1,0,0,0,0|3,0,0]=4 435 B11R0.201 CNC(=O)NCC(C)(C)C(=O)N 273464a_100000740840_100102657272 [0,1,0,0,0,0|3,0,0]=4 436 B11R0.201 CNC(=O)NCC(C)(C)C(=O)N 273464a_100102657272_100000740840 [0,1,0,0,0,0|3,0,0]=4 437 B11R0.201 CNC(=O)NCC(C)(C)C(=O)N 512a_100000740840_100102657272 [0,1,0,0,0,0|3,0,0]=4 438 B11R0.201 CNC(=O)NCC(C)(C)C(=O)N 512a_106832991638_100000740840 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [0,0,0,1,0,0|2,0,1]=4 440 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [0,0,0,1,0,0|2,0,1]=4 441 B11R1.21 CC(=O)C1=NN(C(=O)CC1)C 1458a_100000223367_200000210301 [0,0,0,1,0,0|1,0,2]=4 442 B11R1.21 CC(=O)C1CCC(=O)N(C1)C 1458a_100011430921_200000210301 [0,0,0,1,0,0|2,0,0]=3 443 B11R1.21 CN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011430921_200025704644 [0,0,0,1,0,0|2,0,0]=3 444 B11R1.21 CN1N=C(CCC1=O)C(=O)[13CH3] 1458a_100000223367_200025704644 [0,0,0,1,0,0|1,0,2]=4 445 B11R1.142 C[C@H](NC1CCC1=O)C(=O)O 269956a_100000743915_100009892977 [0,0,0,1,0,0|3,0,0]=4 446 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,0,0,1,0,0|3,0,0]=4 447 B11R1.223 CNC(=O)COC1CCC1=O 34a_100000750040_100009892977 [0,0,0,1,0,0|3,0,0]=4 448 B11R1.223 CNC(=O)CSC1CCC1=O 62a_100000183359_100009892977 [0,0,0,1,0,0|3,0,0]=4 449 B11R1.223 CNC(=O)CSC1CCC1=O 62a_100009892977_100000183359 [0,0,0,1,0,0|3,0,0]=4 450 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 11a_106832991635_100000187535 [0,0,0,1,0,0|3,0,0]=4 451 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 1626a_100102657272_100000187535 [0,0,0,1,0,0|3,0,0]=4 452 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 240690a_100102657272_100000187535 [0,0,0,1,0,0|3,0,0]=4 453 B11R1.226 CNC(=O)C1CC(=O)N(C1)C 527a_100102657272_100000187535 [0,0,0,1,0,0|3,0,0]=4 454 B11R1.314 CC(=O)C(C)N1CNC(=O)C1 2230a_200000708111_100009814033 [0,0,0,1,0,0|3,0,0]=4 455 B11R1.314 CC(C(=O)N)N1CNC(=O)C1 2230a_200000708111_100000702099 [0,0,0,1,0,0|3,0,0]=4 456 B11R1.314 NC(=O)C(F)N1CNC(=O)C1 2230a_200000708111_100009813875 [0,0,0,1,0,0|3,0,0]=4 457 B11R1.565 CC(=O)N1CCNC(=O)CC1 11a_100000698595_100015343762 [0,0,0,1,0,0|3,0,0]=4 458 B11R1.565 CC(=O)N1CCNC(=O)CC1 1626a_100000698595_100015343762 [0,0,0,1,0,0|3,0,0]=4 459 B11R1.565 CC(=O)N1CCNC(=O)CC1 240690a_100000698595_100015343762 [0,0,0,1,0,0|3,0,0]=4 460 B11R1.565 CC(=O)N1CCNC(=O)CC1 527a_100000698595_100103153847 [0,0,0,1,0,0|3,0,0]=4 461 B11R1.853 CNC(=O)C1CN(C1)C(=O)C 11a_100000703363_100015343762 [0,0,0,1,0,0|3,0,0]=4 462 B11R1.853 CNC(=O)C1CN(C1)C(=O)C 11a_106832991635_100000754717 [0,0,0,1,0,0|3,0,0]=4 463 B11R1.853 CNC(=O)C1CN(C1)C(=O)C 1626a_100102657272_100000754717 [0,0,0,1,0,0|3,0,0]=4 464 B11R1.853 CNC(=O)C1CN(C1)C(=O)C 240690a_100000703363_100015343762 [0,0,0,1,0,0|3,0,0]=4 465 B11R1.853 CNC(=O)C1CN(C1)C(=O)C 240690a_100102657272_100000754717 [0,0,0,1,0,0|3,0,0]=4 466 B11R1.853 CNC(=O)C1CN(C1)C(=O)C 527a_100000703363_100103153847 [0,0,0,1,0,0|3,0,0]=4 467 B11R1.853 CNC(=O)C1CN(C1)C(=O)C 527a_100102657272_100000754717 [0,0,0,1,0,0|3,0,0]=4 468 B11R1.853 CNC(=O)N1CC(C1)C(=O)N 2708a_100102657272_100025753142 [0,0,0,1,0,0|3,0,0]=4 469 B11R1.853 CNC(=O)N1CC(C1)C(=O)N 273464a_100102657272_100025753142 [0,0,0,1,0,0|3,0,0]=4 470 B11R1.853 COC(=O)C1CC(C1)C(=O)C 1458a_100000070787_100009897219 [0,0,0,1,0,0|3,0,0]=4 471 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_100000189611_100015343762 [0,0,0,0,1,0|3,0,0]=4 472 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_106832991635_100000194957 [0,0,0,0,1,0|3,0,0]=4 473 B9R0.42 CNC(=O)CN(C)C(=O)C 1626a_100102657272_100000194957 [0,0,0,0,1,0|3,0,0]=4 474 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100000189611_100015343762 [0,0,0,0,1,0|3,0,0]=4 475 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100102657272_100000194957 [0,0,0,0,1,0|3,0,0]=4 476 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100000189611_100103153847 [0,0,0,0,1,0|3,0,0]=4 477 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100102657272_100000194957 [0,0,0,0,1,0|3,0,0]=4 478 B9R0.42 CNC(=O)CN(C)C(=O)N 240690a_100102657272_100000218718 [0,0,0,0,1,0|3,0,0]=4 479 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100102657272 [0,0,0,0,1,0|3,0,0]=4 480 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100102657272_100000119354 [0,0,0,0,1,0|3,0,0]=4 481 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100102657272 [0,0,0,0,1,0|3,0,0]=4 482 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_106832991638_100000119354 [0,0,0,0,1,0|3,0,0]=4 483 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,0,0,0,1,0|3,0,0]=4 484 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,0,0,0,1,0|3,0,0]=4 485 B11R0.107 CNC(=O)CCC(=O)CC(=O)N 1458a_100011309844_100000187820 [0,0,0,0,0,1|2,0,1]=4 486 B11R0.107 CNC(=O)CCC(=O)CC(=O)[O-] 1458a_100011309844_100020667443 [0,0,0,0,0,1|1,0,2]=4 487 B11R0.107 CNC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000737683 [0,0,0,0,0,1|3,0,0]=4 488 B11R0.107 CNC(=O)CCN(C)CC(=O)N 2230a_100000750875_100000747473 [0,0,0,0,0,1|3,0,0]=4 489 B11R0.107 CNC(=O)CCN(C)CC(=O)N 269982a_100000750875_100000187820 [0,0,0,0,0,1|3,0,0]=4 490 B11R0.107 CNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737683 [0,0,0,0,0,1|2,0,0]=3 491 B11R0.107 CNC(=O)CCN(C)CC(=O)[O-] 269982a_100000750875_100020667443 [0,0,0,0,0,1|2,0,1]=4 492 B11R0.107 CNC(=O)CSC(C)OC(=O)C 62a_100000183359_100009818208 [0,0,0,0,0,1|3,0,0]=4 493 B11R0.107 CNC(=O)CSC(C)OC(=O)C 62a_100009818208_100000183359 [0,0,0,0,0,1|3,0,0]=4 494 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [0,0,0,0,0,1|3,0,0]=4 495 B11R0.109 C=C(C)C(C)NCCC(=O)NC 269862a_100000738227_100011216138 [0,0,0,0,0,1|3,0,0]=4 496 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,0,0,0,0,1|2,0,0]=3 497 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,0,0,0,0,1|2,0,0]=3 498 B11R0.109 CCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747405 [0,0,0,0,0,1|3,0,0]=4 499 B11R0.109 CNC(=O)CCNC(=O)C(=O)N 240690a_100000738227_100011215815 [0,0,0,0,0,1|2,0,1]=4 500 B11R0.109 CNC(=O)CCNC(C)C(=O)C 2230a_100000738227_100009814033 [0,0,0,0,0,1|2,0,0]=3 501 B11R0.109 CNC(=O)CCNC(C)C(=O)N 2230a_100000738227_100000702099 [0,0,0,0,0,1|2,0,0]=3 502 B11R0.109 CNC(=O)CCNC(C)C(=O)N 34a_100000738227_100000702099 [0,0,0,0,0,1|2,0,0]=3 503 B11R0.109 CNC(=O)CCNC(F)C(=O)N 2230a_100000738227_100009813875 [0,0,0,0,0,1|2,0,0]=3 504 B11R0.109 CNC(=O)CCNC(F)C(=O)N 34a_100000738227_100009813875 [0,0,0,0,0,1|2,0,0]=3 505 B11R0.109 CNC(=O)CCNC(F)C(=O)[O-] 34a_100000738227_100020610796 [0,0,0,0,0,1|1,0,1]=3 506 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,0,0,0,0,1|1,0,0]=2 507 B11R0.109 CNC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000737683 [0,0,0,0,0,1|2,0,0]=3 508 B11R0.109 CNC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100012179268 [0,0,0,0,0,1|2,0,0]=3 509 B11R0.109 CNC(=O)CCOC(C)C(=O)C 34a_100000212229_100012179268 [0,0,0,0,0,1|2,0,0]=3 510 B11R0.109 CNC(=O)CCOC(C)C(=O)N 34a_100000754576_100000702099 [0,0,0,0,0,1|2,0,0]=3 511 B11R0.109 CNC(=O)CCOC(F)C(=O)N 34a_100000754576_100009813875 [0,0,0,0,0,1|2,0,0]=3 512 B11R0.109 CNC(=O)CCOC(F)C(=O)[O-] 34a_100000754576_100020610796 [0,0,0,0,0,1|1,0,1]=3 513 B11R0.109 CNC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000737683 [0,0,0,0,0,1|1,0,1]=3 514 B11R0.109 CNC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100012179268 [0,0,0,0,0,1|2,0,0]=3 515 B11R0.109 CNC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000737683 [0,0,0,0,0,1|2,0,0]=3 516 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100000737683_100009814033 [0,0,0,0,0,1|2,0,0]=3 517 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100009814033_100000737683 [0,0,0,0,0,1|2,0,0]=3 518 B11R0.109 CNC(=O)CCSC(C)C(=O)N 62a_100000702099_100000737683 [0,0,0,0,0,1|2,0,0]=3 519 B11R0.109 CNC(=O)CCSC(C)C(=O)N 62a_100000737683_100000702099 [0,0,0,0,0,1|2,0,0]=3 520 B11R0.109 CNC(=O)CCSC(F)C(=O)N 62a_100000737683_100009813875 [0,0,0,0,0,1|2,0,0]=3 521 B11R0.109 CNC(=O)CCSC(F)C(=O)N 62a_100009813875_100000737683 [0,0,0,0,0,1|2,0,0]=3 522 B11R0.109 CNC(=O)CCSC(F)C(=O)[O-] 62a_100000737683_100020610796 [0,0,0,0,0,1|1,0,1]=3 523 B11R0.109 CNC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000737683 [0,0,0,0,0,1|1,0,1]=3 524 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,0,0,0,0,1|1,0,0]=2 525 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [0,0,0,0,0,1|1,0,0]=2 526 B11R0.109 CNC(=O)COCC(=O)C(=O)C 34a_100000750040_100011261029 [0,0,0,0,0,1|2,0,1]=4 527 B11R0.109 CNC(=O)COCC(C)C(=O)C 34a_100000032740_100000183359 [0,0,0,0,0,1|2,0,0]=3 528 B11R0.109 CNC(=O)COCC(C)C(=O)C 7a_100000032740_100000183359 [0,0,0,0,0,1|2,0,0]=3 529 B11R0.109 CNC(=O)COCC(C)[N+](=O)[O-] 34a_100000039676_100000183359 [0,0,0,0,0,1|2,0,1]=4 530 B11R0.109 CNC(=O)COCC(C)[N+](=O)[O-] 7a_100000039676_100000183359 [0,0,0,0,0,1|2,0,1]=4 531 B11R0.109 CNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183359 [0,0,0,0,0,1|1,0,0]=2 532 B11R0.109 CNC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000183359 [0,0,0,0,0,1|2,0,1]=4 533 B11R0.109 CNC(=O)CSCC(=O)C(=O)C 62a_100000183359_100011261029 [0,0,0,0,0,1|2,0,1]=4 534 B11R0.109 CNC(=O)CSCC(=O)C(=O)C 62a_100011261029_100000183359 [0,0,0,0,0,1|2,0,1]=4 535 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,0,0,0,0,1|2,0,0]=3 536 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000204255 [0,0,0,0,0,1|3,0,0]=4 537 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100000742370 [0,0,0,0,0,1|3,0,0]=4 538 B11R0.109 COC(=O)CCOC(C)C(=O)C 34a_100000212229_100000742370 [0,0,0,0,0,1|3,0,0]=4 539 B11R0.109 COC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000204255 [0,0,0,0,0,1|2,0,1]=4 540 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100000742370 [0,0,0,0,0,1|3,0,0]=4 541 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000204255 [0,0,0,0,0,1|3,0,0]=4 542 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100000204255_100009814033 [0,0,0,0,0,1|3,0,0]=4 543 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100009814033_100000204255 [0,0,0,0,0,1|3,0,0]=4 544 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000204255_100000702099 [0,0,0,0,0,1|3,0,0]=4 545 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000702099_100000204255 [0,0,0,0,0,1|3,0,0]=4 546 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100000204255_100009813875 [0,0,0,0,0,1|3,0,0]=4 547 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100009813875_100000204255 [0,0,0,0,0,1|3,0,0]=4 548 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100000204255_100020610796 [0,0,0,0,0,1|2,0,1]=4 549 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000204255 [0,0,0,0,0,1|2,0,1]=4 550 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,0,0,0,0,1|2,0,0]=3 551 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,0,0,0,0,1|2,0,0]=3 552 B11R0.109 COC(=O)COCC(C)C(=O)C 34a_100000032740_100000747449 [0,0,0,0,0,1|3,0,0]=4 553 B11R0.109 COC(=O)COCC(C)C(=O)C 7a_100000032740_100000747449 [0,0,0,0,0,1|3,0,0]=4 554 B11R0.109 COC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000747449 [0,0,0,0,0,1|2,0,0]=3 555 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [2,0,0,0,0,0|1,0,1]=4 556 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [2,0,0,0,0,0|1,0,1]=4 557 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [2,0,0,0,0,0|1,0,1]=4 558 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [2,0,0,0,0,0|1,0,1]=4 559 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [2,0,0,0,0,0|2,0,0]=4 560 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [2,0,0,0,0,0|2,0,0]=4 561 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [2,0,0,0,0,0|1,0,0]=3 562 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [2,0,0,0,0,0|1,0,0]=3 563 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [2,0,0,0,0,0|1,0,0]=3 564 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [2,0,0,0,0,0|1,0,0]=3 565 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [2,0,0,0,0,0|2,0,0]=4 566 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [2,0,0,0,0,0|2,0,0]=4 567 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [2,0,0,0,0,0|2,0,0]=4 568 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [2,0,0,0,0,0|2,0,0]=4 569 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [2,0,0,0,0,0|2,0,0]=4 570 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [2,0,0,0,0,0|2,0,0]=4 571 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [2,0,0,0,0,0|2,0,0]=4 572 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [2,0,0,0,0,0|2,0,0]=4 573 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [2,0,0,0,0,0|2,0,0]=4 574 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [2,0,0,0,0,0|2,0,0]=4 575 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [2,0,0,0,0,0|2,0,0]=4 576 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [2,0,0,0,0,0|2,0,0]=4 577 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [2,0,0,0,0,0|2,0,0]=4 578 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [2,0,0,0,0,0|2,0,0]=4 579 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [2,0,0,0,0,0|2,0,0]=4 580 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [2,0,0,0,0,0|2,0,0]=4 581 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|1,0,1]=4 582 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|1,0,1]=4 583 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [2,0,0,0,0,0|2,0,0]=4 584 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [2,0,0,0,0,0|2,0,0]=4 585 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [2,0,0,0,0,0|2,0,0]=4 586 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,1]=4 587 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,1]=4 588 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,1]=4 589 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,1]=4 590 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [2,0,0,0,0,0|1,0,1]=4 591 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [2,0,0,0,0,0|1,0,1]=4 592 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [2,0,0,0,0,0|1,0,1]=4 593 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [2,0,0,0,0,0|1,0,1]=4 594 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|0,0,1]=3 595 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 596 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 597 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 598 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 599 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 600 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 601 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 602 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 603 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 604 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 605 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 606 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 607 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 608 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 609 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 610 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [2,0,0,0,0,0|1,0,0]=3 611 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [2,0,0,0,0,0|1,0,1]=4 612 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [2,0,0,0,0,0|1,0,1]=4 613 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [2,0,0,0,0,0|1,0,1]=4 614 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [2,0,0,0,0,0|1,0,0]=3 615 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [2,0,0,0,0,0|1,0,1]=4 616 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [2,0,0,0,0,0|1,0,1]=4 617 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [2,0,0,0,0,0|1,0,1]=4 618 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [2,0,0,0,0,0|1,0,0]=3 619 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [2,0,0,0,0,0|1,0,0]=3 620 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [2,0,0,0,0,0|1,0,1]=4 621 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [2,0,0,0,0,0|1,0,1]=4 622 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [2,0,0,0,0,0|1,0,1]=4 623 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [2,0,0,0,0,0|1,0,1]=4 624 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [2,0,0,0,0,0|1,0,1]=4 625 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [2,0,0,0,0,0|1,0,1]=4 626 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 627 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 628 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 629 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 630 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 631 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [2,0,0,0,0,0|2,0,0]=4 632 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [2,0,0,0,0,0|2,0,0]=4 633 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [2,0,0,0,0,0|2,0,0]=4 634 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|1,0,1]=4 635 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|1,0,1]=4 636 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|1,0,1]=4 637 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [2,0,0,0,0,0|1,0,1]=4 638 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|1,0,1]=4 639 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [2,0,0,0,0,0|1,0,1]=4 640 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [2,0,0,0,0,0|2,0,0]=4 641 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [2,0,0,0,0,0|1,0,0]=3 642 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [2,0,0,0,0,0|1,0,0]=3 643 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [2,0,0,0,0,0|1,0,1]=4 644 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [2,0,0,0,0,0|1,0,1]=4 645 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [2,0,0,0,0,0|2,0,0]=4 646 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [2,0,0,0,0,0|2,0,0]=4 647 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [2,0,0,0,0,0|2,0,0]=4 648 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [2,0,0,0,0,0|2,0,0]=4 649 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [2,0,0,0,0,0|2,0,0]=4 650 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [2,0,0,0,0,0|2,0,0]=4 651 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [2,0,0,0,0,0|2,0,0]=4 652 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [2,0,0,0,0,0|2,0,0]=4 653 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [2,0,0,0,0,0|2,0,0]=4 654 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [2,0,0,0,0,0|1,0,1]=4 655 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [2,0,0,0,0,0|2,0,0]=4 656 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [2,0,0,0,0,0|2,0,0]=4 657 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [2,0,0,0,0,0|2,0,0]=4 658 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [2,0,0,0,0,0|2,0,0]=4 659 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [2,0,0,0,0,0|2,0,0]=4 660 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [2,0,0,0,0,0|2,0,0]=4 661 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [2,0,0,0,0,0|2,0,0]=4 662 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [2,0,0,0,0,0|2,0,0]=4 663 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [2,0,0,0,0,0|1,0,0]=3 664 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [2,0,0,0,0,0|2,0,0]=4 665 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [2,0,0,0,0,0|1,0,1]=4 666 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [2,0,0,0,0,0|1,0,1]=4 667 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [2,0,0,0,0,0|2,0,0]=4 668 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [2,0,0,0,0,0|1,0,1]=4 669 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [2,0,0,0,0,0|2,0,0]=4 670 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [2,0,0,0,0,0|2,0,0]=4 671 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [2,0,0,0,0,0|2,0,0]=4 672 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [2,0,0,0,0,0|1,0,1]=4 673 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [2,0,0,0,0,0|1,0,1]=4 674 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [2,0,0,0,0,0|1,0,1]=4 675 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [2,0,0,0,0,0|1,0,1]=4 676 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [2,0,0,0,0,0|1,0,1]=4 677 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [2,0,0,0,0,0|2,0,0]=4 678 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [2,0,0,0,0,0|1,0,1]=4 679 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [2,0,0,0,0,0|0,0,1]=3 680 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [2,0,0,0,0,0|0,0,1]=3 681 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [2,0,0,0,0,0|1,0,1]=4 682 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [2,0,0,0,0,0|1,0,1]=4 683 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [2,0,0,0,0,0|1,0,1]=4 684 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [2,0,0,0,0,0|1,0,1]=4 685 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [2,0,0,0,0,0|1,0,1]=4 686 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [2,0,0,0,0,0|1,0,0]=3 687 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [2,0,0,0,0,0|2,0,0]=4 688 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [2,0,0,0,0,0|2,0,0]=4 689 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [2,0,0,0,0,0|2,0,0]=4 690 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [2,0,0,0,0,0|1,0,1]=4 691 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [2,0,0,0,0,0|1,0,1]=4 692 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [2,0,0,0,0,0|1,0,1]=4 693 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [2,0,0,0,0,0|1,0,1]=4 694 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [2,0,0,0,0,0|1,0,1]=4 695 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [2,0,0,0,0,0|1,0,1]=4 696 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [2,0,0,0,0,0|1,0,1]=4 697 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [2,0,0,0,0,0|2,0,0]=4 698 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [2,0,0,0,0,0|2,0,0]=4 699 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [2,0,0,0,0,0|2,0,0]=4 700 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [2,0,0,0,0,0|2,0,0]=4 701 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [2,0,0,0,0,0|2,0,0]=4 702 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [1,1,0,0,0,0|2,0,0]=4 703 B10R0.3 CC#CC(=O)CCCC(=O)N 1458a_100000763181_100102525003 [1,1,0,0,0,0|2,0,0]=4 704 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [1,1,0,0,0,0|2,0,0]=4 705 B10R0.3 CC(=O)COCC(=O)NCO 34a_100000211253_100000185155 [1,1,0,0,0,0|2,0,0]=4 706 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [1,1,0,0,0,0|2,0,0]=4 707 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [1,1,0,0,0,0|2,0,0]=4 708 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|2,0,0]=4 709 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [1,1,0,0,0,0|2,0,0]=4 710 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [1,1,0,0,0,0|2,0,0]=4 711 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [1,1,0,0,0,0|1,0,0]=3 712 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [1,1,0,0,0,0|1,0,0]=3 713 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [1,1,0,0,0,0|1,0,1]=4 714 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 11a_100015525214_100016109205 [1,1,0,0,0,0|1,0,1]=4 715 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 240690a_100015525214_100016109205 [1,1,0,0,0,0|1,0,1]=4 716 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 527a_100015525214_100016109205 [1,1,0,0,0,0|1,0,1]=4 717 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [1,1,0,0,0,0|2,0,0]=4 718 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [1,1,0,0,0,0|2,0,0]=4 719 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [1,1,0,0,0,0|2,0,0]=4 720 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [1,1,0,0,0,0|2,0,0]=4 721 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [1,1,0,0,0,0|2,0,0]=4 722 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [1,1,0,0,0,0|2,0,0]=4 723 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [1,1,0,0,0,0|2,0,0]=4 724 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [1,1,0,0,0,0|2,0,0]=4 725 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [1,1,0,0,0,0|2,0,0]=4 726 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [1,1,0,0,0,0|2,0,0]=4 727 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [1,1,0,0,0,0|2,0,0]=4 728 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [1,1,0,0,0,0|2,0,0]=4 729 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [1,1,0,0,0,0|1,0,0]=3 730 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [1,1,0,0,0,0|2,0,0]=4 731 B10R0.3 CCNC(=O)COCC(=O)N 240690a_100015525214_100011219004 [1,1,0,0,0,0|2,0,0]=4 732 B10R0.3 CCNC(=O)COCC(=O)N 527a_100015525214_100011219004 [1,1,0,0,0,0|2,0,0]=4 733 B10R0.3 CCNC(=O)CSCC(=O)N 11a_100015525214_100000150265 [1,1,0,0,0,0|2,0,0]=4 734 B10R0.3 CCNC(=O)CSCC(=O)N 240690a_100015525214_100000150265 [1,1,0,0,0,0|2,0,0]=4 735 B10R0.3 CCNC(=O)CSCC(=O)N 527a_100015525214_100000150265 [1,1,0,0,0,0|2,0,0]=4 736 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000183381_100000747473 [1,1,0,0,0,0|2,0,0]=4 737 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000747473_100000183381 [1,1,0,0,0,0|2,0,0]=4 738 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100000183381_100020667443 [1,1,0,0,0,0|1,0,1]=4 739 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183381 [1,1,0,0,0,0|1,0,1]=4 740 B10R0.3 CCNC(=O)NCCC(=O)N 2708a_100015525214_100000740010 [1,1,0,0,0,0|2,0,0]=4 741 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100000740010_100015525214 [1,1,0,0,0,0|2,0,0]=4 742 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100015525214_100000740010 [1,1,0,0,0,0|2,0,0]=4 743 B10R0.3 CCNC(=O)NCCC(=O)N 512a_100015525214_100000740010 [1,1,0,0,0,0|2,0,0]=4 744 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|2,0,0]=4 745 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|2,0,0]=4 746 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|2,0,0]=4 747 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [1,1,0,0,0,0|2,0,0]=4 748 B10R0.3 CNCC(=O)NCCC(=O)N 2230a_200138414118_200000210301 [1,1,0,0,0,0|2,0,0]=4 749 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [1,1,0,0,0,0|1,0,1]=4 750 B10R0.3 CNNC(=O)CCC[N+](=O)[O-] 22a_100016993582_100016109205 [1,1,0,0,0,0|1,0,1]=4 751 B10R0.3 CNNC(=O)CCNC(=O)C 22a_100016993582_100000183196 [1,1,0,0,0,0|2,0,0]=4 752 B10R0.3 CNNC(=O)CCNC(=O)N 22a_100016993582_100000181464 [1,1,0,0,0,0|2,0,0]=4 753 B10R0.3 CNNC(=O)COCC(=O)N 22a_100016993582_100011219004 [1,1,0,0,0,0|2,0,0]=4 754 B10R0.3 CNNC(=O)CSCC(=O)N 22a_100016993582_100000150265 [1,1,0,0,0,0|2,0,0]=4 755 B10R0.3 CNNC(=O)NCCC(=O)N 273464a_100000740010_100016993582 [1,1,0,0,0,0|2,0,0]=4 756 B10R0.3 CNNC(=O)NCCC(=O)N 512a_100016993582_100000740010 [1,1,0,0,0,0|2,0,0]=4 757 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [1,1,0,0,0,0|2,0,0]=4 758 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [1,1,0,0,0,0|2,0,0]=4 759 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [1,1,0,0,0,0|2,0,0]=4 760 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [1,1,0,0,0,0|2,0,0]=4 761 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [1,1,0,0,0,0|2,0,0]=4 762 B10R0.3 NC(=O)CNCC(=O)NCO 2230a_100000711301_100000185155 [1,1,0,0,0,0|2,0,0]=4 763 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000185155_100000747473 [1,1,0,0,0,0|2,0,0]=4 764 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000747473_100000185155 [1,1,0,0,0,0|2,0,0]=4 765 B10R0.3 O=C(O)CNCC(=O)NCO 269956a_100016091260_100000185155 [1,1,0,0,0,0|1,0,0]=3 766 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100000185155_100020667443 [1,1,0,0,0,0|1,0,1]=4 767 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100020667443_100000185155 [1,1,0,0,0,0|1,0,1]=4 768 B10R0.3 [13CH3]NCC(=O)NCCC(=O)N 2230a_200138414118_200025704644 [1,1,0,0,0,0|2,0,0]=4 769 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [1,1,0,0,0,0|2,0,0]=4 770 B10R0.44 CNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000183359 [1,1,0,0,0,0|1,0,1]=4 771 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000189611_100000747473 [1,1,0,0,0,0|2,0,0]=4 772 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000183359 [1,1,0,0,0,0|2,0,0]=4 773 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [1,1,0,0,0,0|1,0,0]=3 774 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [1,1,0,0,0,0|2,0,0]=4 775 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [1,1,0,0,0,0|2,0,0]=4 776 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [1,1,0,0,0,0|2,0,0]=4 777 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [1,1,0,0,0,0|2,0,0]=4 778 B10R0.57 CNC(=O)C(C)CNC(=O)C 11a_100015187722_100015343762 [1,1,0,0,0,0|2,0,0]=4 779 B10R0.57 CNC(=O)C(C)CNC(=O)C 240690a_100015187722_100015343762 [1,1,0,0,0,0|2,0,0]=4 780 B10R0.57 CNC(=O)C(C)CNC(=O)C 527a_100015187722_100103153847 [1,1,0,0,0,0|2,0,0]=4 781 B10R0.57 CNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000731044 [1,1,0,0,0,0|2,0,0]=4 782 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [1,1,0,0,0,0|1,0,0]=3 783 B10R0.57 CNC(=O)C(C)OCC(=O)C 34a_100000211253_100000731044 [1,1,0,0,0,0|2,0,0]=4 784 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000209862_100000747473 [1,1,0,0,0,0|2,0,0]=4 785 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000747473_100000731044 [1,1,0,0,0,0|2,0,0]=4 786 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100000209862_100020667443 [1,1,0,0,0,0|1,0,1]=4 787 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000731044 [1,1,0,0,0,0|1,0,1]=4 788 B10R0.57 CNC(=O)C(F)NCC(=O)N 2230a_100000711301_100009813575 [1,1,0,0,0,0|2,0,0]=4 789 B10R0.57 CNC(=O)C(F)OCC(=O)C 34a_100000211253_100009813575 [1,1,0,0,0,0|2,0,0]=4 790 B10R0.57 CNC(=O)C(F)SCC(=O)N 62a_100000747473_100009813575 [1,1,0,0,0,0|2,0,0]=4 791 B10R0.57 CNC(=O)C(F)SCC(=O)N 62a_100009813575_100000747473 [1,1,0,0,0,0|2,0,0]=4 792 B10R0.57 CNC(=O)C(F)SCC(=O)[O-] 62a_100009813575_100020667443 [1,1,0,0,0,0|1,0,1]=4 793 B10R0.57 CNC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100009813575 [1,1,0,0,0,0|1,0,1]=4 794 B10R0.57 CNC(=O)N(C)CCC(=O)N 2708a_100102657272_100000730477 [1,1,0,0,0,0|2,0,0]=4 795 B10R0.57 CNC(=O)N(C)CCC(=O)N 273464a_100102657272_100000730477 [1,1,0,0,0,0|2,0,0]=4 796 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 2230a_100000684985_100000747473 [1,1,0,0,0,0|2,0,0]=4 797 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 34a_100000684985_100000187820 [1,1,0,0,0,0|2,0,0]=4 798 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)[O-] 34a_100000684985_100020667443 [1,1,0,0,0,0|1,0,1]=4 799 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 11a_106832991635_200015407212 [1,1,0,0,0,0|2,0,0]=4 800 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 1626a_100102657272_200015407212 [1,1,0,0,0,0|2,0,0]=4 801 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 240690a_100102657272_200015407212 [1,1,0,0,0,0|2,0,0]=4 802 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 527a_100102657272_200015407212 [1,1,0,0,0,0|2,0,0]=4 803 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [1,1,0,0,0,0|2,0,0]=4 804 B10R0.59 C#CC(=O)CCCC(=O)NC 1458a_100000211873_100000741757 [1,1,0,0,0,0|1,0,0]=3 805 B10R0.59 C#CC(=O)CCCC(=O)OC 1458a_100000211873_100011218270 [1,1,0,0,0,0|1,0,1]=4 806 B10R0.59 C#CC(=O)CCOC(=O)NC 1458a_100000211873_200011997002 [1,1,0,0,0,0|2,0,0]=4 807 B10R0.59 C=CC(=O)CCCC(=O)NC 1458a_100000185746_100000741757 [1,1,0,0,0,0|1,0,0]=3 808 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [1,1,0,0,0,0|1,0,1]=4 809 B10R0.59 C=CC(=O)CCOC(=O)NC 1458a_100000185746_200011997002 [1,1,0,0,0,0|2,0,0]=4 810 B10R0.59 C=CC(=O)NCCC(=O)NC 240690a_100000738227_200121576911 [1,1,0,0,0,0|2,0,0]=4 811 B10R0.59 C=CC(=O)OCCC(=O)NC 240690a_100102657272_100000065099 [1,1,0,0,0,0|2,0,0]=4 812 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [1,1,0,0,0,0|1,0,0]=3 813 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [1,1,0,0,0,0|1,0,0]=3 814 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [1,1,0,0,0,0|1,0,0]=3 815 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [1,1,0,0,0,0|2,0,0]=4 816 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [1,1,0,0,0,0|2,0,0]=4 817 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [1,1,0,0,0,0|2,0,0]=4 818 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [1,1,0,0,0,0|2,0,0]=4 819 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [1,1,0,0,0,0|2,0,0]=4 820 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [1,1,0,0,0,0|2,0,0]=4 821 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [1,1,0,0,0,0|2,0,0]=4 822 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [1,1,0,0,0,0|2,0,0]=4 823 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [1,1,0,0,0,0|2,0,0]=4 824 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [1,1,0,0,0,0|2,0,0]=4 825 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [1,1,0,0,0,0|2,0,0]=4 826 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [1,1,0,0,0,0|2,0,0]=4 827 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [1,1,0,0,0,0|0,0,0]=2 828 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [1,1,0,0,0,0|0,0,0]=2 829 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [1,1,0,0,0,0|0,0,0]=2 830 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [1,1,0,0,0,0|0,0,0]=2 831 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [1,1,0,0,0,0|0,0,0]=2 832 B10R0.59 CNC(=O)CCCN(C)N=O 11a_106832991635_200000076914 [1,1,0,0,0,0|2,0,0]=4 833 B10R0.59 CNC(=O)CCCN(C)N=O 1626a_100102657272_200000076914 [1,1,0,0,0,0|2,0,0]=4 834 B10R0.59 CNC(=O)CCCN(C)N=O 240690a_100102657272_200000076914 [1,1,0,0,0,0|2,0,0]=4 835 B10R0.59 CNC(=O)CCCN(C)N=O 527a_100102657272_200000076914 [1,1,0,0,0,0|2,0,0]=4 836 B10R0.59 CNC(=O)CCNC(=O)CO 240690a_100000738227_100000210174 [1,1,0,0,0,0|1,0,0]=3 837 B10R0.59 CNC(=O)CCNC(=O)CO 527a_100000738227_100000210174 [1,1,0,0,0,0|1,0,0]=3 838 B10R0.59 CNC(=O)CCNC(=O)NC 2708a_100102657272_100000738227 [1,1,0,0,0,0|2,0,0]=4 839 B10R0.59 CNC(=O)CCNC(=O)NC 273464a_100000738227_100102657272 [1,1,0,0,0,0|2,0,0]=4 840 B10R0.59 CNC(=O)CCNC(=O)NC 273464a_100102657272_100000738227 [1,1,0,0,0,0|2,0,0]=4 841 B10R0.59 CNC(=O)CCNC(=O)NC 512a_100000738227_100102657272 [1,1,0,0,0,0|2,0,0]=4 842 B10R0.59 CNC(=O)CCNC(=O)NC 512a_106832991638_100000738227 [1,1,0,0,0,0|2,0,0]=4 843 B10R0.59 CNC(=O)CNCC(=O)NC 2230a_100000693194_100000183359 [1,1,0,0,0,0|2,0,0]=4 844 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [1,1,0,0,0,0|1,0,0]=3 845 B10R0.59 CNC(=O)COCC(=O)NC 34a_100000750040_100000183359 [1,1,0,0,0,0|2,0,0]=4 846 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [1,1,0,0,0,0|1,0,0]=3 847 B10R0.59 CNC(=O)CSCC(=O)NC 62a_100000183359_100000183359 [1,1,0,0,0,0|2,0,0]=4 848 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [1,1,0,0,0,0|1,0,0]=3 849 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [1,1,0,0,0,0|1,0,0]=3 850 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [1,1,0,0,0,0|1,0,0]=3 851 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [1,1,0,0,0,0|1,0,0]=3 852 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [1,1,0,0,0,0|1,0,0]=3 853 B10R0.59 CNC(=O)OCCC(=O)CO 1458a_100000210174_200011997002 [1,1,0,0,0,0|1,0,0]=3 854 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [1,1,0,0,0,0|2,0,0]=4 855 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [1,1,0,0,0,0|1,0,0]=3 856 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [1,1,0,0,0,0|2,0,0]=4 857 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [1,1,0,0,0,0|2,0,0]=4 858 B10R0.60 CNC(=O)CCCS(=O)(=O)N 240690a_100102657272_100000739357 [1,1,0,0,0,0|1,0,1]=4 859 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [1,1,0,0,0,0|2,0,0]=4 860 B10R0.98 C=C(C)C(=O)CCCC(=O)N 1458a_100000185857_100102525003 [1,1,0,0,0,0|2,0,0]=4 861 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [1,1,0,0,0,0|2,0,0]=4 862 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [1,1,0,0,0,0|2,0,0]=4 863 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [1,1,0,0,0,0|2,0,0]=4 864 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [1,1,0,0,0,0|1,0,0]=3 865 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [1,1,0,0,0,0|2,0,0]=4 866 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [1,1,0,0,0,0|2,0,0]=4 867 B10R0.98 CC(=O)COCC(=O)N(C)C 34a_100000211253_100000692301 [1,1,0,0,0,0|2,0,0]=4 868 B10R0.98 CC(=O)CSCC(=O)N(C)C 1458a_100000150165_200000210301 [1,1,0,0,0,0|2,0,0]=4 869 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100000738053_100015343762 [1,1,0,0,0,0|2,0,0]=4 870 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100102631434_100000183196 [1,1,0,0,0,0|2,0,0]=4 871 B10R0.98 CC(=O)NCCC(=O)N(C)C 1626a_100102631434_100000183196 [1,1,0,0,0,0|2,0,0]=4 872 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100000738053_100015343762 [1,1,0,0,0,0|2,0,0]=4 873 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100102631434_100000183196 [1,1,0,0,0,0|2,0,0]=4 874 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100000738053_100103153847 [1,1,0,0,0,0|2,0,0]=4 875 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100102631434_100000183196 [1,1,0,0,0,0|2,0,0]=4 876 B10R0.98 CC(=O)SCCC(=O)N(C)C 1626a_100102631434_100000048949 [1,1,0,0,0,0|2,0,0]=4 877 B10R0.98 CC(=O)SCCC(=O)N(C)C 240690a_100102631434_100000048949 [1,1,0,0,0,0|2,0,0]=4 878 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [1,1,0,0,0,0|2,0,0]=4 879 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [1,1,0,0,0,0|2,0,0]=4 880 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [1,1,0,0,0,0|2,0,0]=4 881 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [1,1,0,0,0,0|1,0,1]=4 882 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [1,1,0,0,0,0|1,0,1]=4 883 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 11a_100102631434_100016109205 [1,1,0,0,0,0|1,0,1]=4 884 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 1626a_100102631434_100016109205 [1,1,0,0,0,0|1,0,1]=4 885 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 240690a_100102631434_100016109205 [1,1,0,0,0,0|1,0,1]=4 886 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 527a_100102631434_100016109205 [1,1,0,0,0,0|1,0,1]=4 887 B10R0.98 CN(C)C(=O)CCNC(=O)N 240690a_100102631434_100000181464 [1,1,0,0,0,0|2,0,0]=4 888 B10R0.98 CN(C)C(=O)CCNC(=O)N 527a_100102631434_100000181464 [1,1,0,0,0,0|2,0,0]=4 889 B10R0.98 CN(C)C(=O)CNCC(=O)N 2230a_100000711301_100000185267 [1,1,0,0,0,0|2,0,0]=4 890 B10R0.98 CN(C)C(=O)CNCC(=O)N 2230a_100015183351_100000747473 [1,1,0,0,0,0|2,0,0]=4 891 B10R0.98 CN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000692301 [1,1,0,0,0,0|1,0,0]=3 892 B10R0.98 CN(C)C(=O)COCC(=O)N 1626a_100102631434_100011219004 [1,1,0,0,0,0|2,0,0]=4 893 B10R0.98 CN(C)C(=O)COCC(=O)N 240690a_100102631434_100011219004 [1,1,0,0,0,0|2,0,0]=4 894 B10R0.98 CN(C)C(=O)COCC(=O)N 527a_100102631434_100011219004 [1,1,0,0,0,0|2,0,0]=4 895 B10R0.98 CN(C)C(=O)CSCC(=O)N 11a_100102631434_100000150265 [1,1,0,0,0,0|2,0,0]=4 896 B10R0.98 CN(C)C(=O)CSCC(=O)N 240690a_100102631434_100000150265 [1,1,0,0,0,0|2,0,0]=4 897 B10R0.98 CN(C)C(=O)CSCC(=O)N 527a_100102631434_100000150265 [1,1,0,0,0,0|2,0,0]=4 898 B10R0.98 CN(C)C(=O)CSCC(=O)N 62a_100000692301_100000747473 [1,1,0,0,0,0|2,0,0]=4 899 B10R0.98 CN(C)C(=O)CSCC(=O)N 62a_100000747473_100000692301 [1,1,0,0,0,0|2,0,0]=4 900 B10R0.98 CN(C)C(=O)CSCC(=O)[13CH3] 1458a_100000150165_200025704644 [1,1,0,0,0,0|2,0,0]=4 901 B10R0.98 CN(C)C(=O)CSCC(=O)[O-] 62a_100000692301_100020667443 [1,1,0,0,0,0|1,0,1]=4 902 B10R0.98 CN(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000692301 [1,1,0,0,0,0|1,0,1]=4 903 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [1,1,0,0,0,0|2,0,0]=4 904 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [1,1,0,0,0,0|2,0,0]=4 905 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [1,1,0,0,0,0|2,0,0]=4 906 B10R0.84 C=C[C@H](NCC(=O)N)C(=O)O 269956a_100016992060_100000187820 [1,1,0,0,0,0|2,0,0]=4 907 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [1,1,0,0,0,0|1,0,1]=4 908 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [1,1,0,0,0,0|2,0,0]=4 909 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [1,1,0,0,0,0|1,0,1]=4 910 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [1,1,0,0,0,0|2,0,0]=4 911 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [1,1,0,0,0,0|1,0,0]=3 912 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [1,1,0,0,0,0|1,0,0]=3 913 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [1,1,0,0,0,0|1,0,0]=3 914 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [1,1,0,0,0,0|1,0,0]=3 915 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [1,1,0,0,0,0|2,0,0]=4 916 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [1,1,0,0,0,0|2,0,0]=4 917 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [1,1,0,0,0,0|1,0,0]=3 918 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [1,1,0,0,0,0|1,0,0]=3 919 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [1,1,0,0,0,0|2,0,0]=4 920 B10R0.45 CNC(=O)CNC(C=O)C=O 2230a_100000693194_100000736813 [1,1,0,0,0,0|2,0,0]=4 921 B10R0.45 CNC(=O)COC(C=O)C=O 34a_100000750040_100000736813 [1,1,0,0,0,0|2,0,0]=4 922 B10R0.45 CNC(=O)CSC(C=O)C=O 62a_100000183359_100000736813 [1,1,0,0,0,0|2,0,0]=4 923 B10R0.45 CNC(=O)CSC(C=O)C=O 62a_100000736813_100000183359 [1,1,0,0,0,0|2,0,0]=4 924 B10R0.108 CNC(=O)CCN(C)CC=O 2230a_100000750875_200015260668 [1,1,0,0,0,0|2,0,0]=4 925 B10R0.108 CNC(=O)CCN(C)CC=O 269982a_100000750875_200015260668 [1,1,0,0,0,0|2,0,0]=4 926 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [1,1,0,0,0,0|2,0,0]=4 927 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [1,1,0,0,0,0|2,0,0]=4 928 B10R0.75 C/C=C/COC[C@H](N)C(=O)N 34a_100000729942_100102629194 [1,1,0,0,0,0|2,0,0]=4 929 B10R0.75 CC=CCOC[C@H](N)C(=O)N 34a_100000729942_100000070051 [1,1,0,0,0,0|2,0,0]=4 930 B12R0.147 CNC(=O)CCC(=O)CC(=O)OC 1458a_100011309844_100000747449 [0,1,0,0,0,1|1,0,1]=4 931 B12R0.147 CNC(=O)CCN(C)CC(=O)OC 2230a_100000198492_100000737683 [0,1,0,0,0,1|2,0,0]=4 932 B12R0.147 CNC(=O)CCN(C)CC(=O)OC 2230a_100000750875_100000747449 [0,1,0,0,0,1|2,0,0]=4 933 B12R0.147 CNC(=O)CCN(C)CC(=O)OC 269982a_100000750875_100000747449 [0,1,0,0,0,1|2,0,0]=4 934 B12R0.147 CNC(=O)CNC(C)CC(=O)OC 2230a_100000693194_100009817358 [0,1,0,0,0,1|2,0,0]=4 935 B12R0.147 CNC(=O)COC(C)CC(=O)OC 34a_100000750040_100009817358 [0,1,0,0,0,1|2,0,0]=4 936 B12R0.147 CNC(=O)CSC(C)CC(=O)OC 62a_100000183359_100009817358 [0,1,0,0,0,1|2,0,0]=4 937 B12R0.147 CNC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000183359 [0,1,0,0,0,1|2,0,0]=4 938 B12R0.272 CCNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737597 [0,1,0,0,0,1|2,0,0]=4 939 B12R0.322 CCN(CCC(=O)NC)CC(=O)O 269956a_100000746405_100000737683 [0,1,0,0,0,1|2,0,0]=4 940 B12R0.322 CC[C@H](CC(=O)O)NCC(=O)NC 269956a_100016995926_100000183359 [0,1,0,0,0,1|2,0,0]=4 941 B12R0.322 CNC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000183359 [0,1,0,0,0,1|2,0,0]=4 942 B12R0.346 CNC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000737683 [0,1,0,0,0,1|2,0,0]=4 943 B12R0.505 CNC(=O)CCC(C)(C)NC(=O)C 11a_200015186247_100015343762 [0,1,0,0,0,1|2,0,0]=4 944 B12R0.505 CNC(=O)CCC(C)(C)NC(=O)C 1626a_200015186247_100015343762 [0,1,0,0,0,1|2,0,0]=4 945 B12R0.505 CNC(=O)CCC(C)(C)NC(=O)C 240690a_200015186247_100015343762 [0,1,0,0,0,1|2,0,0]=4 946 B12R0.505 CNC(=O)CCC(C)(C)NC(=O)C 527a_200015186247_100103153847 [0,1,0,0,0,1|2,0,0]=4 947 B12R0.505 CNC(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100000183359 [0,1,0,0,0,1|2,0,0]=4 948 B12R0.687 CN(CCC(=O)N(C)C)CC(=O)O 269956a_100000746989_100000737620 [0,1,0,0,0,1|2,0,0]=4 949 B12R0.153 COC(=O)CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009817358 [0,1,0,0,0,1|2,0,0]=4 950 B12R0.156 C=C(COCC(=O)NC)C(=O)OC 34a_100000750040_100009813391 [0,1,0,0,0,1|1,0,1]=4 951 B12R0.156 C=C(CSCC(=O)NC)C(=O)OC 62a_100000183359_100009813391 [0,1,0,0,0,1|1,0,1]=4 952 B12R0.156 C=C(CSCC(=O)NC)C(=O)OC 62a_100009813391_100000183359 [0,1,0,0,0,1|1,0,1]=4 953 B12R0.156 CCC(=O)C(C)NCCC(=O)NC 2230a_100000738227_100000742827 [0,1,0,0,0,1|2,0,0]=4 954 B12R0.156 CCC(=O)C(C)SCCC(=O)NC 62a_100000737683_100000742827 [0,1,0,0,0,1|2,0,0]=4 955 B12R0.156 CCC(=O)C(C)SCCC(=O)NC 62a_100000742827_100000737683 [0,1,0,0,0,1|2,0,0]=4 956 B12R0.156 CCC(=O)COCC(C)C(=O)OC 34a_100000725409_100000698445 [0,1,0,0,0,1|2,0,0]=4 957 B12R0.156 CCC(=O)COCC(C)C(=O)OC 7a_100000749362_100000747405 [0,1,0,0,0,1|2,0,0]=4 958 B12R0.156 CCC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000747405 [0,1,0,0,0,1|2,0,0]=4 959 B12R0.156 CCC(=O)CSCC(C)C(=O)OC 62a_100000747405_100000698445 [0,1,0,0,0,1|2,0,0]=4 960 B12R0.156 CNC(=O)CCCN(C)C(=O)OC 11a_106832991635_100000752137 [0,1,0,0,0,1|2,0,0]=4 961 B12R0.156 CNC(=O)CCCN(C)C(=O)OC 1626a_100102657272_100000752137 [0,1,0,0,0,1|2,0,0]=4 962 B12R0.156 CNC(=O)CCCN(C)C(=O)OC 240690a_100102657272_100000752137 [0,1,0,0,0,1|2,0,0]=4 963 B12R0.156 CNC(=O)CCCN(C)C(=O)OC 527a_100102657272_100000752137 [0,1,0,0,0,1|2,0,0]=4 964 B12R0.156 CNC(=O)CCNC(=O)C(=O)OC 11a_100000738227_100000024059 [0,1,0,0,0,1|1,0,1]=4 965 B12R0.156 CNC(=O)CCNC(=O)C(=O)OC 240690a_100000738227_100000024059 [0,1,0,0,0,1|1,0,1]=4 966 B12R0.156 CNC(=O)CCNC(=O)C(=O)OC 527a_100000738227_100000024059 [0,1,0,0,0,1|1,0,1]=4 967 B12R0.156 CNC(=O)CCNC(C)C(=O)NC 2230a_100000738227_100000731044 [0,1,0,0,0,1|2,0,0]=4 968 B12R0.156 CNC(=O)CCNC(C)C(=O)NC 34a_100000738227_100000731044 [0,1,0,0,0,1|2,0,0]=4 969 B12R0.156 CNC(=O)CCNC(C)C(=O)OC 2230a_100000738227_100000211248 [0,1,0,0,0,1|1,0,0]=3 970 B12R0.156 CNC(=O)CCNC(C)C(=O)OC 34a_100000738227_100000211248 [0,1,0,0,0,1|1,0,0]=3 971 B12R0.156 CNC(=O)CCNC(F)C(=O)NC 2230a_100000738227_100009813575 [0,1,0,0,0,1|2,0,0]=4 972 B12R0.156 CNC(=O)CCNC(F)C(=O)NC 34a_100000738227_100009813575 [0,1,0,0,0,1|2,0,0]=4 973 B12R0.156 CNC(=O)CCN[C@H](C)C(=O)NC 2230a_100000684985_100000737683 [0,1,0,0,0,1|2,0,0]=4 974 B12R0.156 CNC(=O)CCN[C@H](C)C(=O)NC 34a_100000684985_100012179268 [0,1,0,0,0,1|2,0,0]=4 975 B12R0.156 CNC(=O)CCOC(C)C(=O)NC 34a_100000754576_100000731044 [0,1,0,0,0,1|2,0,0]=4 976 B12R0.156 CNC(=O)CCOC(C)C(=O)NN 34a_100000725659_100012179268 [0,1,0,0,0,1|2,0,0]=4 977 B12R0.156 CNC(=O)CCOC(C)C(=O)OC 34a_100000754576_100000211248 [0,1,0,0,0,1|1,0,0]=3 978 B12R0.156 CNC(=O)CCOC(C)C(=O)OC 34a_100011215400_100012179268 [0,1,0,0,0,1|1,0,0]=3 979 B12R0.156 CNC(=O)CCOC(F)C(=O)NC 34a_100000754576_100009813575 [0,1,0,0,0,1|2,0,0]=4 980 B12R0.156 CNC(=O)CCSC(C)C(=O)NC 62a_100000209862_100000737683 [0,1,0,0,0,1|2,0,0]=4 981 B12R0.156 CNC(=O)CCSC(C)C(=O)NC 62a_100000737683_100000731044 [0,1,0,0,0,1|2,0,0]=4 982 B12R0.156 CNC(=O)CCSC(C)C(=O)OC 62a_100000211248_100000737683 [0,1,0,0,0,1|1,0,0]=3 983 B12R0.156 CNC(=O)CCSC(C)C(=O)OC 62a_100000737683_100000211248 [0,1,0,0,0,1|1,0,0]=3 984 B12R0.156 CNC(=O)CCSC(F)C(=O)NC 62a_100000737683_100009813575 [0,1,0,0,0,1|2,0,0]=4 985 B12R0.156 CNC(=O)CCSC(F)C(=O)NC 62a_100009813575_100000737683 [0,1,0,0,0,1|2,0,0]=4 986 B12R0.156 CNC(=O)CNCC(C)C(=O)NC 2230a_100015187722_100000183359 [0,1,0,0,0,1|2,0,0]=4 987 B12R0.156 CNC(=O)CNCC(C)C(=O)NC 34a_100015187722_100000183359 [0,1,0,0,0,1|2,0,0]=4 988 B12R0.156 CNC(=O)COCC(=O)C(=O)OC 34a_100000750040_100011610305 [0,1,0,0,0,1|1,0,1]=4 989 B12R0.156 CNC(=O)COCC(C)C(=O)OC 34a_100000749362_100000183359 [0,1,0,0,0,1|1,0,0]=3 990 B12R0.156 CNC(=O)COCC(C)C(=O)OC 34a_100000750040_100000698445 [0,1,0,0,0,1|1,0,0]=3 991 B12R0.156 CNC(=O)COCC(C)C(=O)OC 7a_100000749362_100000183359 [0,1,0,0,0,1|1,0,0]=3 992 B12R0.156 CNC(=O)COCC(F)C(=O)OC 34a_200009849844_100000183359 [0,1,0,0,0,1|1,0,0]=3 993 B12R0.156 CNC(=O)COCC(N)C(=O)NN 34a_100016989258_100000183359 [0,1,0,0,0,1|1,0,0]=3 994 B12R0.156 CNC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000183359 [0,1,0,0,0,1|0,0,0]=2 995 B12R0.156 CNC(=O)CSCC(=O)C(=O)OC 62a_100000183359_100011610305 [0,1,0,0,0,1|1,0,1]=4 996 B12R0.156 CNC(=O)CSCC(=O)C(=O)OC 62a_100011610305_100000183359 [0,1,0,0,0,1|1,0,1]=4 997 B12R0.156 CNC(=O)CSCC(C)C(=O)OC 62a_100000183359_100000698445 [0,1,0,0,0,1|1,0,0]=3 998 B12R0.156 CNC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000183359 [0,1,0,0,0,1|1,0,0]=3 999 B12R0.156 COC(=O)CCOC(C)C(=O)OC 34a_100011215400_100000742370 [0,1,0,0,0,1|2,0,0]=4 1000 B12R0.156 COC(=O)CCSC(C)C(=O)OC 62a_100000204255_100000211248 [0,1,0,0,0,1|2,0,0]=4 1001 B12R0.156 COC(=O)CCSC(C)C(=O)OC 62a_100000211248_100000204255 [0,1,0,0,0,1|2,0,0]=4 1002 B12R0.156 COC(=O)COCC(C)C(=O)OC 34a_100000749362_100000747449 [0,1,0,0,0,1|2,0,0]=4 1003 B12R0.156 COC(=O)COCC(C)C(=O)OC 7a_100000749362_100000747449 [0,1,0,0,0,1|2,0,0]=4 1004 B12R0.156 COC(=O)COCC(F)C(=O)OC 34a_200009849844_100000747449 [0,1,0,0,0,1|2,0,0]=4 1005 B12R0.156 COC(=O)COCC(N)C(=O)NN 34a_100016989258_100000747449 [0,1,0,0,0,1|2,0,0]=4 1006 B12R0.156 COC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000747449 [0,1,0,0,0,1|1,0,0]=3 1007 B12R0.156 COC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000747449 [0,1,0,0,0,1|2,0,0]=4 1008 B12R0.156 COC(=O)CSCC(C)C(=O)OC 62a_100000747449_100000698445 [0,1,0,0,0,1|2,0,0]=4 1009 B12R0.236 CCC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100000742827 [0,1,0,0,0,1|2,0,0]=4 1010 B12R0.236 CCC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100000742827 [0,1,0,0,0,1|2,0,0]=4 1011 B12R0.236 CNC(=O)C(C)CNC(C)C(=O)C 2230a_100015187722_100009814033 [0,1,0,0,0,1|2,0,0]=4 1012 B12R0.236 CNC(=O)C(C)CNC(C)C(=O)N 2230a_100015187722_100000702099 [0,1,0,0,0,1|2,0,0]=4 1013 B12R0.236 CNC(=O)C(C)CNC(C)C(=O)N 34a_100015187722_100000702099 [0,1,0,0,0,1|2,0,0]=4 1014 B12R0.236 CNC(=O)C(C)CNC(F)C(=O)N 2230a_100015187722_100009813875 [0,1,0,0,0,1|2,0,0]=4 1015 B12R0.236 CNC(=O)C(C)CNC(F)C(=O)N 34a_100015187722_100009813875 [0,1,0,0,0,1|2,0,0]=4 1016 B12R0.236 CNC(=O)C(C)CNC(F)C(=O)[O-] 34a_100015187722_100020610796 [0,1,0,0,0,1|1,0,1]=4 1017 B12R0.236 CNC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100000209862 [0,1,0,0,0,1|1,0,0]=3 1018 B12R0.236 CNC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100000209862 [0,1,0,0,0,1|1,0,0]=3 1019 B12R0.236 CNC(=O)C(C)OCC(C)C(=O)C 34a_100000032740_100000731044 [0,1,0,0,0,1|2,0,0]=4 1020 B12R0.236 CNC(=O)C(C)OCC(C)C(=O)C 7a_100000032740_100000209862 [0,1,0,0,0,1|2,0,0]=4 1021 B12R0.236 CNC(=O)C(C)OC[C@H](N)C(=O)N 34a_100000729942_100000731044 [0,1,0,0,0,1|1,0,0]=3 1022 B12R0.236 CNC(=O)C(F)OCC(C)C(=O)C 34a_100000032740_100009813575 [0,1,0,0,0,1|2,0,0]=4 1023 B12R0.236 CNC(=O)C(F)OCC(C)C(=O)C 7a_100000032740_100009813575 [0,1,0,0,0,1|2,0,0]=4 1024 B12R0.236 CNC(=O)C(F)OC[C@H](N)C(=O)N 34a_100000729942_100009813575 [0,1,0,0,0,1|1,0,0]=3 1025 B12R0.236 COC(=O)C(C)OC[C@H](N)C(=O)N 34a_100000729942_100000211248 [0,1,0,0,0,1|2,0,0]=4 1026 B12R0.279 CC(=O)C(C)COCC(=O)NCO 34a_100000032740_100000185155 [0,1,0,0,0,1|2,0,0]=4 1027 B12R0.279 CC(=O)C(C)COCC(=O)NCO 7a_100000032740_100000185155 [0,1,0,0,0,1|2,0,0]=4 1028 B12R0.279 CC(CNCC(=O)NCO)C(=O)O 269956a_100000749485_100000185155 [0,1,0,0,0,1|1,0,0]=3 1029 B12R0.279 CCCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747444 [0,1,0,0,0,1|2,0,0]=4 1030 B12R0.279 CCCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747444 [0,1,0,0,0,1|2,0,0]=4 1031 B12R0.279 CCNC(=O)CCNC(C)C(=O)N 34a_100025743525_100000702099 [0,1,0,0,0,1|2,0,0]=4 1032 B12R0.279 CCNC(=O)CCNC(F)C(=O)N 34a_100025743525_100009813875 [0,1,0,0,0,1|2,0,0]=4 1033 B12R0.279 CCNC(=O)CCNC(F)C(=O)[O-] 34a_100025743525_100020610796 [0,1,0,0,0,1|1,0,1]=4 1034 B12R0.279 CCNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737597 [0,1,0,0,0,1|1,0,0]=3 1035 B12R0.279 CCNC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000737597 [0,1,0,0,0,1|2,0,0]=4 1036 B12R0.279 CCNC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000737597 [0,1,0,0,0,1|1,0,1]=4 1037 B12R0.279 CCNC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000737597 [0,1,0,0,0,1|2,0,0]=4 1038 B12R0.279 CCNC(=O)CCSC(C)C(=O)C 62a_100000737597_100009814033 [0,1,0,0,0,1|2,0,0]=4 1039 B12R0.279 CCNC(=O)CCSC(C)C(=O)C 62a_100009814033_100000737597 [0,1,0,0,0,1|2,0,0]=4 1040 B12R0.279 CCNC(=O)CCSC(C)C(=O)N 62a_100000702099_100000737597 [0,1,0,0,0,1|2,0,0]=4 1041 B12R0.279 CCNC(=O)CCSC(C)C(=O)N 62a_100000737597_100000702099 [0,1,0,0,0,1|2,0,0]=4 1042 B12R0.279 CCNC(=O)CCSC(F)C(=O)N 62a_100000737597_100009813875 [0,1,0,0,0,1|2,0,0]=4 1043 B12R0.279 CCNC(=O)CCSC(F)C(=O)N 62a_100009813875_100000737597 [0,1,0,0,0,1|2,0,0]=4 1044 B12R0.279 CCNC(=O)CCSC(F)C(=O)[O-] 62a_100000737597_100020610796 [0,1,0,0,0,1|1,0,1]=4 1045 B12R0.279 CCNC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000737597 [0,1,0,0,0,1|1,0,1]=4 1046 B12R0.279 CCNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183381 [0,1,0,0,0,1|1,0,0]=3 1047 B12R0.279 CCNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183381 [0,1,0,0,0,1|1,0,0]=3 1048 B12R0.279 CCNC(=O)COCC(C)C(=O)C 34a_100000032740_100000183381 [0,1,0,0,0,1|2,0,0]=4 1049 B12R0.279 CCNC(=O)COCC(C)C(=O)C 7a_100000032740_100000183381 [0,1,0,0,0,1|2,0,0]=4 1050 B12R0.279 CCNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183381 [0,1,0,0,0,1|1,0,0]=3 1051 B12R0.279 CCOC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000765890 [0,1,0,0,0,1|2,0,0]=4 1052 B12R0.279 CCOC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000188475 [0,1,0,0,0,1|2,0,0]=4 1053 B12R0.279 CCOC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000188475 [0,1,0,0,0,1|2,0,0]=4 1054 B12R0.279 CCOC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000188475 [0,1,0,0,0,1|2,0,0]=4 1055 B12R0.279 NC(=O)[C@@H](N)COCC(=O)NCO 34a_100000729942_100000185155 [0,1,0,0,0,1|1,0,0]=3 1056 B12R0.279 O=C(CNCC(F)C(=O)O)NCO 269956a_100000084737_100000185155 [0,1,0,0,0,1|1,0,0]=3 1057 B12R0.321 C=C[C@H](NCCC(=O)NC)C(=O)O 269956a_100016992060_100000737683 [0,1,0,0,0,1|1,0,0]=3 1058 B12R0.321 C=C[C@H](NCCC(=O)OC)C(=O)O 269956a_100016992060_100000204255 [0,1,0,0,0,1|2,0,0]=4 1059 B12R0.321 CCC(NCCC(=O)NC)C(=O)N 2230a_100000733705_100000737683 [0,1,0,0,0,1|2,0,0]=4 1060 B12R0.321 CCC(NCCC(=O)NC)C(=O)N 2230a_100000738227_100000750255 [0,1,0,0,0,1|2,0,0]=4 1061 B12R0.321 CCC(NCCC(=O)NC)C(=O)N 34a_100000733705_100012179268 [0,1,0,0,0,1|2,0,0]=4 1062 B12R0.321 CCC(NCCC(=O)NC)C(=O)N 34a_100000738227_100000750255 [0,1,0,0,0,1|2,0,0]=4 1063 B12R0.321 CCC(OCCC(=O)NC)C(=O)N 34a_100000754576_100000750255 [0,1,0,0,0,1|2,0,0]=4 1064 B12R0.321 CCC(SCCC(=O)NC)C(=O)N 62a_100000737683_100000750255 [0,1,0,0,0,1|2,0,0]=4 1065 B12R0.321 CCC(SCCC(=O)NC)C(=O)N 62a_100000750255_100000737683 [0,1,0,0,0,1|2,0,0]=4 1066 B12R0.321 CC[C@@H](NCCC(=O)NC)C(=O)O 269956a_100000747097_100000737683 [0,1,0,0,0,1|1,0,0]=3 1067 B12R0.321 CC[C@@H](NCCC(=O)OC)C(=O)O 269956a_100000747097_100000204255 [0,1,0,0,0,1|2,0,0]=4 1068 B12R0.321 CNC(=O)CCNC(C#N)C(=O)N 2230a_100000039599_100000737683 [0,1,0,0,0,1|1,0,1]=4 1069 B12R0.321 CNC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000737683 [0,1,0,0,0,1|1,0,0]=3 1070 B12R0.321 CNC(=O)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000737683 [0,1,0,0,0,1|2,0,0]=4 1071 B12R0.321 CNC(=O)CCN[C@@H](CO)C(=O)N 34a_100000729942_100012179268 [0,1,0,0,0,1|2,0,0]=4 1072 B12R0.321 COC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000204255 [0,1,0,0,0,1|2,0,0]=4 1073 B12R0.627 CC(=O)C(=O)CNCC(C)C(=O)O 269956a_100000749485_100011261029 [0,1,0,0,0,1|2,0,0]=4 1074 B12R0.627 CC(=O)C(=O)CNCC(F)C(=O)O 269956a_100000084737_100011261029 [0,1,0,0,0,1|2,0,0]=4 1075 B12R0.627 CC(=O)C(=O)COC[C@H](N)C(=O)N 34a_100000729942_100011261029 [0,1,0,0,0,1|2,0,0]=4 1076 B12R0.627 CC(=O)C(C)COCC(=O)N(C)C 34a_100000032740_100000692301 [0,1,0,0,0,1|2,0,0]=4 1077 B12R0.627 CC(=O)C(C)COCC(=O)N(C)C 7a_100000032740_100000692301 [0,1,0,0,0,1|2,0,0]=4 1078 B12R0.627 CC(=O)C(C)NCCC(=O)N(C)C 2230a_100000738053_100009814033 [0,1,0,0,0,1|2,0,0]=4 1079 B12R0.627 CC(=O)C(C)SCCC(=O)N(C)C 62a_100000737620_100009814033 [0,1,0,0,0,1|2,0,0]=4 1080 B12R0.627 CC(=O)C(C)SCCC(=O)N(C)C 62a_100009814033_100000737620 [0,1,0,0,0,1|2,0,0]=4 1081 B12R0.627 CC(C)C(=O)CNCC(C)C(=O)O 269956a_100000749485_100000753385 [0,1,0,0,0,1|2,0,0]=4 1082 B12R0.627 CC(C)C(=O)CNCC(F)C(=O)O 269956a_100000084737_100000753385 [0,1,0,0,0,1|2,0,0]=4 1083 B12R0.627 CC(C)C(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000753385 [0,1,0,0,0,1|2,0,0]=4 1084 B12R0.627 CC(CNCC(=O)N(C)C)C(=O)O 269956a_100000749485_100000692301 [0,1,0,0,0,1|1,0,0]=3 1085 B12R0.627 CC(NCCC(=O)N(C)C)C(=O)N 2230a_100000738053_100000702099 [0,1,0,0,0,1|2,0,0]=4 1086 B12R0.627 CC(OCCC(=O)N(C)C)C(=O)N 34a_200000747469_100000702099 [0,1,0,0,0,1|2,0,0]=4 1087 B12R0.627 CC(SCCC(=O)N(C)C)C(=O)N 62a_100000702099_100000737620 [0,1,0,0,0,1|2,0,0]=4 1088 B12R0.627 CC(SCCC(=O)N(C)C)C(=O)N 62a_100000737620_100000702099 [0,1,0,0,0,1|2,0,0]=4 1089 B12R0.627 CN(C)C(=O)CCNC(F)C(=O)N 2230a_100000738053_100009813875 [0,1,0,0,0,1|2,0,0]=4 1090 B12R0.627 CN(C)C(=O)CCOC(F)C(=O)N 34a_200000747469_100009813875 [0,1,0,0,0,1|2,0,0]=4 1091 B12R0.627 CN(C)C(=O)CCOC(F)C(=O)[O-] 34a_200000747469_100020610796 [0,1,0,0,0,1|1,0,1]=4 1092 B12R0.627 CN(C)C(=O)CCSC(F)C(=O)N 62a_100000737620_100009813875 [0,1,0,0,0,1|2,0,0]=4 1093 B12R0.627 CN(C)C(=O)CCSC(F)C(=O)N 62a_100009813875_100000737620 [0,1,0,0,0,1|2,0,0]=4 1094 B12R0.627 CN(C)C(=O)CCSC(F)C(=O)[O-] 62a_100000737620_100020610796 [0,1,0,0,0,1|1,0,1]=4 1095 B12R0.627 CN(C)C(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000737620 [0,1,0,0,0,1|1,0,1]=4 1096 B12R0.627 CN(C)C(=O)CNCC(F)C(=O)O 269956a_100000084737_100000692301 [0,1,0,0,0,1|1,0,0]=3 1097 B12R0.627 CN(C)C(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000692301 [0,1,0,0,0,1|1,0,0]=3 1098 B12R0.627 C[C@@H](NCCC(=O)N(C)C)C(=O)N 2230a_100000119354_100000737620 [0,1,0,0,0,1|2,0,0]=4 1099 B12R0.627 C[C@@H](OCCC(=O)N(C)C)C(=O)N 7a_100000731257_100000737620 [0,1,0,0,0,1|2,0,0]=4 1100 B12R0.627 C[C@H](NCCC(=O)N(C)C)C(=O)O 269956a_100000743915_100000737620 [0,1,0,0,0,1|1,0,0]=3 1101 B12R0.627 C[C@H](OCCC(=O)N(C)C)C(=O)[O-] 7a_217856618621_100000737620 [0,1,0,0,0,1|1,0,1]=4 1102 B12R0.632 CCC(=O)CNCC(C)(C)C(=O)O 269956a_100000693527_100000747405 [0,1,0,0,0,1|2,0,0]=4 1103 B12R0.632 CCC(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000747405 [0,1,0,0,0,1|2,0,0]=4 1104 B12R0.632 CNC(=O)CCNC(C)(C)C(=O)N 2230a_100000738227_100000702505 [0,1,0,0,0,1|2,0,0]=4 1105 B12R0.632 CNC(=O)CCNC(C)(C)C(=O)N 2230a_100000743658_100000737683 [0,1,0,0,0,1|2,0,0]=4 1106 B12R0.632 CNC(=O)CCNC(C)(C)C(=O)N 34a_100000738227_100000702505 [0,1,0,0,0,1|2,0,0]=4 1107 B12R0.632 CNC(=O)CCNC(C)(C)C(=O)N 34a_100000743658_100012179268 [0,1,0,0,0,1|2,0,0]=4 1108 B12R0.632 CNC(=O)CCNC(F)(F)C(=O)[O-] 34a_100000738227_100020612412 [0,1,0,0,0,1|1,0,1]=4 1109 B12R0.632 CNC(=O)CCOC(C)(C)C(=O)C 34a_100000747739_100012179268 [0,1,0,0,0,1|2,0,0]=4 1110 B12R0.632 CNC(=O)CCOC(C)(C)C(=O)C 7a_100000747739_100000737683 [0,1,0,0,0,1|2,0,0]=4 1111 B12R0.632 CNC(=O)CCOC(C)(C)C(=O)N 34a_100000754576_100000702505 [0,1,0,0,0,1|2,0,0]=4 1112 B12R0.632 CNC(=O)CCOC(C)(C)C(=O)N 34a_100011626353_100012179268 [0,1,0,0,0,1|2,0,0]=4 1113 B12R0.632 CNC(=O)CCOC(C)(C)C(=O)N 7a_100011626353_100000737683 [0,1,0,0,0,1|2,0,0]=4 1114 B12R0.632 CNC(=O)CCOC(F)(F)C(=O)[O-] 34a_100000754576_100020612412 [0,1,0,0,0,1|1,0,1]=4 1115 B12R0.632 CNC(=O)CCSC(C)(C)C(=O)C 62a_100000075568_100000737683 [0,1,0,0,0,1|2,0,0]=4 1116 B12R0.632 CNC(=O)CCSC(C)(C)C(=O)C 62a_100000737683_100000075568 [0,1,0,0,0,1|2,0,0]=4 1117 B12R0.632 CNC(=O)CCSC(C)(C)C(=O)N 62a_100000702505_100000737683 [0,1,0,0,0,1|2,0,0]=4 1118 B12R0.632 CNC(=O)CCSC(C)(C)C(=O)N 62a_100000737683_100000702505 [0,1,0,0,0,1|2,0,0]=4 1119 B12R0.632 CNC(=O)CCSC(F)(F)C(=O)N 62a_100000737683_100009811971 [0,1,0,0,0,1|2,0,0]=4 1120 B12R0.632 CNC(=O)CCSC(F)(F)C(=O)N 62a_100009811971_100000737683 [0,1,0,0,0,1|2,0,0]=4 1121 B12R0.632 CNC(=O)CCSC(F)(F)C(=O)[O-] 62a_100000737683_100000745680 [0,1,0,0,0,1|1,0,1]=4 1122 B12R0.632 CNC(=O)CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000737683 [0,1,0,0,0,1|1,0,1]=4 1123 B12R0.632 CNC(=O)CNCC(C)(C)C(=O)N 2230a_100000740840_100000183359 [0,1,0,0,0,1|2,0,0]=4 1124 B12R0.632 CNC(=O)CNCC(C)(C)C(=O)N 34a_100000740840_100000183359 [0,1,0,0,0,1|2,0,0]=4 1125 B12R0.632 CNC(=O)CNCC(C)(C)C(=O)O 269956a_100000693527_100000183359 [0,1,0,0,0,1|1,0,0]=3 1126 B12R0.632 CNC(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000183359 [0,1,0,0,0,1|1,0,0]=3 1127 B12R0.632 CNC(=O)CNOC(C)(C)C(=O)O 269956a_100016989451_100000183359 [0,1,0,0,0,1|2,0,0]=4 1128 B12R0.632 CNC(=O)COCC(C)(C)C(=O)N 34a_100000750040_200009895572 [0,1,0,0,0,1|2,0,0]=4 1129 B12R0.632 CNC(=O)CSCC(C)(C)C(=O)N 62a_100000183359_200009895572 [0,1,0,0,0,1|2,0,0]=4 1130 B12R0.632 CNC(=O)CSCC(C)(C)C(=O)N 62a_200009895572_100000183359 [0,1,0,0,0,1|2,0,0]=4 1131 B12R0.632 COC(=O)CNCC(C)(C)C(=O)O 269956a_100000693527_100000747449 [0,1,0,0,0,1|2,0,0]=4 1132 B12R0.632 COC(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000747449 [0,1,0,0,0,1|2,0,0]=4 1133 B12R0.668 C=C[C@H](NCC(=O)N(C)C)C(=O)O 269956a_100016992060_100000692301 [0,2,0,0,0,0|2,0,0]=4 1134 B12R0.668 CC[C@@H](NCC(=O)N(C)C)C(=O)O 269956a_100000747097_100000692301 [0,2,0,0,0,0|2,0,0]=4 1135 B12R0.668 CN(C)C(=O)CNC(CO)C(=O)O 269956a_100000187304_100000692301 [0,2,0,0,0,0|2,0,0]=4 1136 B12R0.17 C=C[C@H](NCC(=O)NCC)C(=O)O 269956a_100016992060_100000183381 [0,2,0,0,0,0|2,0,0]=4 1137 B12R0.17 C=C[C@H](NCC(=O)NCO)C(=O)O 269956a_100016992060_100000185155 [0,2,0,0,0,0|2,0,0]=4 1138 B12R0.17 CCNC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000183381 [0,2,0,0,0,0|2,0,0]=4 1139 B12R0.17 CCNC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000183381 [0,2,0,0,0,0|2,0,0]=4 1140 B12R0.17 CC[C@@H](NCC(=O)NCO)C(=O)O 269956a_100000747097_100000185155 [0,2,0,0,0,0|2,0,0]=4 1141 B12R0.84 C=C[C@H](NC(C)C(=O)NC)C(=O)O 269956a_100016992060_100000209862 [0,2,0,0,0,0|2,0,0]=4 1142 B12R0.84 CC[C@@H](NC(C)C(=O)NC)C(=O)O 269956a_100000747097_100000209862 [0,2,0,0,0,0|2,0,0]=4 1143 B12R0.84 CNC(=O)C(C)NC(CO)C(=O)O 269956a_100000187304_100000209862 [0,2,0,0,0,0|2,0,0]=4 1144 B12R0.146 CNC(=O)CNC(C(=O)N)C(=O)N 2230a_100000025885_100000183359 [0,2,0,0,0,0|2,0,0]=4 1145 B12R0.146 CNC(=O)CNC(C(=O)O)C(C)O 269956a_100000185852_100000183359 [0,2,0,0,0,0|2,0,0]=4 1146 B12R0.146 CNC(=O)CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000183359 [0,2,0,0,0,0|2,0,0]=4 1147 B12R0.319 CCC(NCC(=O)NC)C(=O)OC 2230a_100000693194_100000235869 [0,2,0,0,0,0|2,0,0]=4 1148 B12R0.319 CCC(OCC(=O)NC)C(=O)OC 34a_100000695916_100000183359 [0,2,0,0,0,0|2,0,0]=4 1149 B12R0.319 CCC(OCC(=O)NC)C(=O)OC 34a_100000750040_100000235869 [0,2,0,0,0,0|2,0,0]=4 1150 B12R0.319 CCC(OCC(=O)NC)C(=O)OC 7a_100000695916_100000183359 [0,2,0,0,0,0|2,0,0]=4 1151 B12R0.319 CCC(SCC(=O)NC)C(=O)OC 62a_100000183359_100000235869 [0,2,0,0,0,0|2,0,0]=4 1152 B12R0.319 CCC(SCC(=O)NC)C(=O)OC 62a_100000235869_100000183359 [0,2,0,0,0,0|2,0,0]=4 1153 B12R0.319 CNC(=O)COC(C=O)C(=O)OC 34a_100000750040_100000046368 [0,2,0,0,0,0|2,0,0]=4 1154 B12R0.319 CNC(=O)COC(CN)C(=O)OC 34a_100000695228_100000183359 [0,2,0,0,0,0|1,0,0]=3 1155 B12R0.319 CNC(=O)COC(CO)C(=O)OC 34a_100000750040_100012276630 [0,2,0,0,0,0|2,0,0]=4 1156 B12R0.319 CNC(=O)COC(OC)C(=O)OC 34a_100000036821_100000183359 [0,2,0,0,0,0|2,0,0]=4 1157 B12R0.319 CNC(=O)COC(OC)C(=O)OC 34a_100000750040_100000101307 [0,2,0,0,0,0|2,0,0]=4 1158 B12R0.319 CNC(=O)CSC(C=O)C(=O)OC 62a_100000046368_100000183359 [0,2,0,0,0,0|2,0,0]=4 1159 B12R0.319 CNC(=O)CSC(C=O)C(=O)OC 62a_100000183359_100000046368 [0,2,0,0,0,0|2,0,0]=4 1160 B12R0.319 CNC(=O)CSC(CO)C(=O)OC 62a_100000183359_100012276630 [0,2,0,0,0,0|2,0,0]=4 1161 B12R0.319 CNC(=O)CSC(CO)C(=O)OC 62a_100012276630_100000183359 [0,2,0,0,0,0|2,0,0]=4 1162 B12R0.319 CNC(=O)CSC(OC)C(=O)OC 62a_100000101307_100000183359 [0,2,0,0,0,0|2,0,0]=4 1163 B12R0.319 CNC(=O)CSC(OC)C(=O)OC 62a_100000183359_100000101307 [0,2,0,0,0,0|2,0,0]=4 1164 B12R0.319 CNC(CCC(=O)OC)C(=O)OC 2230a_106832991635_100009814691 [0,2,0,0,0,0|1,0,0]=3 1165 B12R0.319 CNC(CCC(=O)OC)C(=O)OC 34a_100102657272_100009814691 [0,2,0,0,0,0|1,0,0]=3 1166 B12R0.319 CNC(CCC(=O)OC)C(=O)OC 7a_106832991635_100009814691 [0,2,0,0,0,0|1,0,0]=3 1167 B12R0.319 COC(=O)CCC(OC)C(=O)OC 34a_100138415774_100009814691 [0,2,0,0,0,0|2,0,0]=4 1168 B12R0.319 COC(=O)CCC(SC)C(=O)OC 62a_100009814691_200000210301 [0,2,0,0,0,0|2,0,0]=4 1169 B12R0.319 COC(=O)CCC(SC)C(=O)OC 62a_200000210301_100009814691 [0,2,0,0,0,0|2,0,0]=4 1170 B12R0.319 COC(=O)CCC(S[13CH3])C(=O)OC 62a_100009814691_200025704644 [0,2,0,0,0,0|2,0,0]=4 1171 B12R0.319 COC(=O)CCC(S[13CH3])C(=O)OC 62a_200025704644_100009814691 [0,2,0,0,0,0|2,0,0]=4 1172 B12R0.319 COC(=O)COC(CN)C(=O)OC 34a_100000695228_100000747449 [0,2,0,0,0,0|2,0,0]=4 1173 B12R0.403 CCC[C@H](NCC(=O)NC)C(=O)O 269956a_100000750406_100000183359 [0,2,0,0,0,0|2,0,0]=4 1174 B12R0.403 CNC(=O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000183359 [0,2,0,0,0,0|2,0,0]=4 1175 B12R0.403 CNC(=O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000183359 [0,2,0,0,0,0|2,0,0]=4 1176 B12R0.403 CNC(=O)CN[C@H](COC)C(=O)O 269956a_100011998655_100000183359 [0,2,0,0,0,0|2,0,0]=4 1177 B12R0.467 CCC(C)(NCC(=O)NC)C(=O)O 269956a_100025756313_100000183359 [0,2,0,0,0,0|2,0,0]=4 1178 B12R0.485 CNC(=O)CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000183359 [0,2,0,0,0,0|2,0,0]=4 1179 B12R0.20 CC(C(=O)O)N(C)CC(=O)NCO 269956a_100000749554_100000185155 [0,2,0,0,0,0|2,0,0]=4 1180 B12R0.20 CCNC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000183381 [0,2,0,0,0,0|2,0,0]=4 1181 B12R0.61 CNC(=O)CC(=O)C(C)C(=O)OC 1458a_100012027023_100000183359 [0,2,0,0,0,0|1,0,1]=4 1182 B12R0.61 CNC(=O)CC(C)N(C)C(=O)CO 240690a_100015186911_100000210174 [0,2,0,0,0,0|2,0,0]=4 1183 B12R0.61 CNC(=O)CC(C)N(C)C(=O)CO 527a_100015186911_100000210174 [0,2,0,0,0,0|2,0,0]=4 1184 B12R0.61 CNC(=O)CN(C)C(C)C(=O)OC 2230a_100000189611_100000211248 [0,2,0,0,0,0|2,0,0]=4 1185 B12R0.61 CNC(=O)CN(C)C(C)C(=O)OC 2230a_100000725243_100000183359 [0,2,0,0,0,0|2,0,0]=4 1186 B12R0.61 CNC(=O)CN(C)C(C)C(=O)OC 269982a_100000725243_100000183359 [0,2,0,0,0,0|2,0,0]=4 1187 B12R0.87 CNC(=O)C(C)N(C)C(C)C(=O)O 269956a_100000749554_100000209862 [0,2,0,0,0,0|2,0,0]=4 1188 B12R0.262 CC(C(=O)O)N(C)CC(=O)N(C)C 269956a_100000749554_100000692301 [0,2,0,0,0,0|2,0,0]=4 1189 B12R0.262 CC(N[C@@H](C)C(=O)O)C(=O)N(C)C 269956a_100000743915_100000209910 [0,2,0,0,0,0|2,0,0]=4 1190 B12R0.76 CCNC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000230173 [0,2,0,0,0,0|2,0,0]=4 1191 B12R0.568 CNC(=O)C(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000732697 [0,2,0,0,0,0|2,0,0]=4 1192 B12R0.570 CNC(=O)C(C)OC(C)C(=O)OC 34a_100011215400_100000731044 [0,2,0,0,0,0|2,0,0]=4 1193 B12R0.570 CNC(=O)C(C)SC(C)C(=O)OC 62a_100000209862_100000211248 [0,2,0,0,0,0|2,0,0]=4 1194 B12R0.570 CNC(=O)C(C)SC(C)C(=O)OC 62a_100000211248_100000731044 [0,2,0,0,0,0|2,0,0]=4 1195 B12R0.570 CNC(=O)C(F)OC(C)C(=O)OC 34a_100011215400_100009813575 [0,2,0,0,0,0|2,0,0]=4 1196 B12R0.570 CNC(=O)C(F)SC(C)C(=O)OC 62a_100000211248_100009813575 [0,2,0,0,0,0|2,0,0]=4 1197 B12R0.570 CNC(=O)C(F)SC(C)C(=O)OC 62a_100009813575_100000211248 [0,2,0,0,0,0|2,0,0]=4 1198 B12R0.570 CNC(=O)[C@@H](C)NC(C)C(=O)OC 2230a_100000684985_100000211248 [0,2,0,0,0,0|2,0,0]=4 1199 B12R0.570 CNC(=O)[C@@H](C)NC(C)C(=O)OC 34a_100000684985_100000211248 [0,2,0,0,0,0|2,0,0]=4 1200 B12R0.79 CC#CC(=O)CCC(C)C(=O)OC 1458a_100000763181_100000034942 [0,2,0,0,0,0|2,0,0]=4 1201 B12R0.79 CC=CC(=O)CCC(C)C(=O)OC 1458a_100000210699_100000034942 [0,2,0,0,0,0|2,0,0]=4 1202 B12R0.79 CCCC(=O)CCC(C)C(=O)OC 1458a_100000211992_100000034942 [0,2,0,0,0,0|2,0,0]=4 1203 B12R0.79 CCNC(=O)CNC(C)C(=O)OC 2230a_100016988866_100000211248 [0,2,0,0,0,0|2,0,0]=4 1204 B12R0.79 CCNC(=O)COC(C)C(=O)OC 34a_100011215400_100000183381 [0,2,0,0,0,0|2,0,0]=4 1205 B12R0.79 CCNC(=O)CSC(C)C(=O)OC 62a_100000183381_100000211248 [0,2,0,0,0,0|2,0,0]=4 1206 B12R0.79 CCNC(=O)CSC(C)C(=O)OC 62a_100000211248_100000183381 [0,2,0,0,0,0|2,0,0]=4 1207 B12R0.79 CCOC(=O)CCC(C)C(=O)CO 1458a_100000210174_100000748298 [0,2,0,0,0,0|2,0,0]=4 1208 B12R0.79 COC(=O)C(C)CCC(=O)CCO 1458a_100011216618_100000034942 [0,2,0,0,0,0|2,0,0]=4 1209 B12R0.79 COC(=O)C(C)CCC(=O)CSC 1458a_100000184570_100000034942 [0,2,0,0,0,0|2,0,0]=4 1210 B12R0.79 COC(=O)C(C)OCC(=O)NCO 34a_100011215400_100000185155 [0,2,0,0,0,0|2,0,0]=4 1211 B12R0.79 COC(=O)C(C)SCC(=O)NCO 62a_100000185155_100000211248 [0,2,0,0,0,0|2,0,0]=4 1212 B12R0.79 COC(=O)C(C)SCC(=O)NCO 62a_100000211248_100000185155 [0,2,0,0,0,0|2,0,0]=4 1213 B12R0.79 COCC(=O)CCC(C)C(=O)OC 1458a_100000210968_100000034942 [0,2,0,0,0,0|2,0,0]=4 1214 B12R0.193 CCOC(=O)C(C)NCC(=O)NC 2230a_100000693194_100011215307 [0,2,0,0,0,0|2,0,0]=4 1215 B12R0.193 CCOC(=O)C(C)OCC(=O)NC 34a_100000750040_100011216346 [0,2,0,0,0,0|2,0,0]=4 1216 B12R0.193 CCOC(=O)C(C)SCC(=O)NC 62a_100000183359_100011216346 [0,2,0,0,0,0|2,0,0]=4 1217 B12R0.193 CCOC(=O)C(C)SCC(=O)NC 62a_100011216346_100000183359 [0,2,0,0,0,0|2,0,0]=4 1218 B12R0.193 CCOC(=O)C(F)NCC(=O)NC 2230a_100000693194_100000760018 [0,2,0,0,0,0|2,0,0]=4 1219 B12R0.193 CCOC(=O)C(F)OCC(=O)NC 34a_100000750040_100000760018 [0,2,0,0,0,0|2,0,0]=4 1220 B12R0.193 CCOC(=O)C(F)SCC(=O)NC 62a_100000183359_100000760018 [0,2,0,0,0,0|2,0,0]=4 1221 B12R0.193 CCOC(=O)C(F)SCC(=O)NC 62a_100000760018_100000183359 [0,2,0,0,0,0|2,0,0]=4 1222 B12R0.193 CCOC(=O)[C@H](C)OCC(=O)NC 7a_100000751109_100000183359 [0,2,0,0,0,0|2,0,0]=4 1223 B12R0.193 CNC(=O)CCN(C)C(=O)CCO 240690a_100000750875_100011216618 [0,2,0,0,0,0|2,0,0]=4 1224 B12R0.193 CNC(=O)CCN(C)C(=O)COC 11a_100000750875_100000210968 [0,2,0,0,0,0|2,0,0]=4 1225 B12R0.193 CNC(=O)CCN(C)C(=O)COC 240690a_100000750875_100000210968 [0,2,0,0,0,0|2,0,0]=4 1226 B12R0.193 CNC(=O)CCN(C)C(=O)COC 527a_100000750875_100000210968 [0,2,0,0,0,0|2,0,0]=4 1227 B12R0.506 CNC(=O)CNC(C)(C)C(=O)OC 2230a_100000693194_100000689032 [0,2,0,0,0,0|2,0,0]=4 1228 B12R0.506 CNC(=O)CNC(C)(F)C(=O)OC 2230a_100000693194_200009867631 [0,2,0,0,0,0|2,0,0]=4 1229 B12R0.506 CNC(=O)COC(C)(C)C(=O)OC 34a_100011217581_100000183359 [0,2,0,0,0,0|2,0,0]=4 1230 B12R0.506 CNC(=O)COC(C)(C)C(=O)OC 7a_100011217581_100000183359 [0,2,0,0,0,0|2,0,0]=4 1231 B12R0.506 CNC(=O)COC(C)(F)C(=O)OC 34a_100000750040_200009867631 [0,2,0,0,0,0|2,0,0]=4 1232 B12R0.506 CNC(=O)COC(F)(F)C(=O)OC 34a_100000750040_100000211177 [0,2,0,0,0,0|2,0,0]=4 1233 B12R0.506 CNC(=O)CSC(C)(C)C(=O)OC 62a_100000183359_100000689032 [0,2,0,0,0,0|2,0,0]=4 1234 B12R0.506 CNC(=O)CSC(C)(C)C(=O)OC 62a_100000689032_100000183359 [0,2,0,0,0,0|2,0,0]=4 1235 B12R0.506 CNC(=O)CSC(C)(F)C(=O)OC 62a_100000183359_200009867631 [0,2,0,0,0,0|2,0,0]=4 1236 B12R0.506 CNC(=O)CSC(C)(F)C(=O)OC 62a_200009867631_100000183359 [0,2,0,0,0,0|2,0,0]=4 1237 B12R0.506 CNC(=O)CSC(F)(F)C(=O)OC 62a_100000183359_100000211177 [0,2,0,0,0,0|2,0,0]=4 1238 B12R0.506 CNC(=O)CSC(F)(F)C(=O)OC 62a_100000211177_100000183359 [0,2,0,0,0,0|2,0,0]=4 1239 B12R0.48 C=CCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183597 [0,2,0,0,0,0|2,0,0]=4 1240 B12R0.48 CCCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183358 [0,2,0,0,0,0|2,0,0]=4 1241 B12R0.48 C[C@H](NCC(=O)NCC#N)C(=O)O 269956a_100000743915_100000736037 [0,2,0,0,0,0|2,0,0]=4 1242 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [1,0,0,1,0,0|1,0,0]=3 1243 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [1,0,0,1,0,0|1,0,0]=3 1244 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [1,0,0,1,0,0|2,0,0]=4 1245 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [1,0,0,1,0,0|1,0,0]=3 1246 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [1,0,0,1,0,0|1,0,0]=3 1247 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [1,0,0,1,0,0|1,0,1]=4 1248 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [1,0,0,1,0,0|1,0,1]=4 1249 B10R1.14 CNC(=O)C1CNC(=O)C1 11a_106832991635_100000747279 [1,0,0,1,0,0|2,0,0]=4 1250 B10R1.14 CNC(=O)C1CNC(=O)C1 1626a_100102657272_100000747279 [1,0,0,1,0,0|2,0,0]=4 1251 B10R1.14 CNC(=O)C1CNC(=O)C1 240690a_100102657272_100000747279 [1,0,0,1,0,0|2,0,0]=4 1252 B10R1.14 CNC(=O)C1CNC(=O)C1 527a_100102657272_100000747279 [1,0,0,1,0,0|2,0,0]=4 1253 B10R1.14 CNC(=O)C1CNC(=O)N1 11a_106832991635_100000033324 [1,0,0,1,0,0|2,0,0]=4 1254 B10R1.14 CNC(=O)C1CNC(=O)N1 240690a_100102657272_100000033324 [1,0,0,1,0,0|2,0,0]=4 1255 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [1,0,0,1,0,0|0,0,0]=2 1256 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [1,0,0,1,0,0|0,0,0]=2 1257 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [1,0,0,1,0,0|0,0,0]=2 1258 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [1,0,0,1,0,0|0,0,0]=2 1259 B10R1.14 CNC(=O)[C@@H]1CSC(=O)N1 240690a_100102657272_100000735014 [1,0,0,1,0,0|2,0,0]=4 1260 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [1,0,0,1,0,0|2,0,0]=4 1261 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [1,0,0,1,0,0|1,0,1]=4 1262 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [1,0,0,1,0,0|1,0,1]=4 1263 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [1,0,0,1,0,0|2,0,0]=4 1264 B10R1.54 CC(=O)NC1CNC(=O)C1 11a_100000697751_100015343762 [1,0,0,1,0,0|2,0,0]=4 1265 B10R1.54 CC(=O)NC1CNC(=O)C1 1626a_100000697751_100015343762 [1,0,0,1,0,0|2,0,0]=4 1266 B10R1.54 CC(=O)NC1CNC(=O)C1 240690a_100000697751_100015343762 [1,0,0,1,0,0|2,0,0]=4 1267 B10R1.54 CC(=O)NC1CNC(=O)C1 527a_100000697751_100103153847 [1,0,0,1,0,0|2,0,0]=4 1268 B10R1.54 NC(=O)CN1CNC(=O)C1 2230a_200000708111_100000747473 [1,0,0,1,0,0|2,0,0]=4 1269 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [1,0,0,1,0,0|2,0,0]=4 1270 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [1,0,0,1,0,0|2,0,0]=4 1271 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [1,0,0,1,0,0|2,0,0]=4 1272 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [1,0,0,1,0,0|1,0,0]=3 1273 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [1,0,0,1,0,0|1,0,0]=3 1274 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [1,0,0,1,0,0|2,0,0]=4 1275 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [1,0,0,1,0,0|2,0,0]=4 1276 B10R1.169 CNC(=O)C1CC(C1)CO 1626a_100102657272_206645079618 [1,0,0,1,0,0|1,0,1]=4 1277 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [1,0,0,1,0,0|1,0,1]=4 1278 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [1,0,0,1,0,0|1,0,1]=4 1279 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 11a_100011935005_100015343762 [0,0,0,1,0,1|2,0,0]=4 1280 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 1626a_100011935005_100015343762 [0,0,0,1,0,1|2,0,0]=4 1281 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 240690a_100011935005_100015343762 [0,0,0,1,0,1|2,0,0]=4 1282 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 527a_100011935005_100103153847 [0,0,0,1,0,1|2,0,0]=4 1283 B12R1.26 CNC(=O)COC1COC(=O)O1 34a_100000750040_100000032252 [0,0,0,1,0,1|2,0,0]=4 1284 B12R1.26 CNC(=O)CSC1COC(=O)O1 62a_100000183359_100000032252 [0,0,0,1,0,1|2,0,0]=4 1285 B12R1.104 CC(=O)C(C)NC1CNC(=O)C1 2230a_100000697751_100009814033 [0,0,0,1,0,1|2,0,0]=4 1286 B12R1.104 CC(NC1CNC(=O)C1)C(=O)N 2230a_100000697751_100000702099 [0,0,0,1,0,1|2,0,0]=4 1287 B12R1.104 CC(OC1CNC(=O)C1)C(=O)N 34a_100000690082_100000702099 [0,0,0,1,0,1|2,0,0]=4 1288 B12R1.104 NC(=O)C(F)NC1CNC(=O)C1 2230a_100000697751_100009813875 [0,0,0,1,0,1|2,0,0]=4 1289 B12R1.104 NC(=O)C(F)OC1CNC(=O)C1 34a_100000690082_100009813875 [0,0,0,1,0,1|2,0,0]=4 1290 B12R1.104 O=C1CC(CN1)OC(F)C(=O)[O-] 34a_100000690082_100020610796 [0,0,0,1,0,1|1,0,1]=4 1291 B12R1.231 CC(CNC1CCC1=O)C(=O)O 269956a_100000749485_100009892977 [0,0,0,1,0,1|2,0,0]=4 1292 B12R1.231 NC(=O)[C@@H](N)COC1CCC1=O 34a_100000729942_100009892977 [0,0,0,1,0,1|2,0,0]=4 1293 B12R1.231 O=C(O)C(F)CNC1CCC1=O 269956a_100000084737_100009892977 [0,0,0,1,0,1|2,0,0]=4 1294 B12R1.359 CNC(=O)N1CCC(C1)C(=O)N 2708a_100102657272_100000752358 [0,0,0,1,0,1|2,0,0]=4 1295 B12R1.359 CNC(=O)N1CCC(C1)C(=O)N 273464a_100102657272_100000752358 [0,0,0,1,0,1|2,0,0]=4 1296 B12R1.364 CNC(=O)CCNC1CCC1=O 34a_100000738227_100009892977 [0,0,0,1,0,1|2,0,0]=4 1297 B12R1.364 CNC(=O)CCOC1CCC1=O 34a_100000754576_100009892977 [0,0,0,1,0,1|2,0,0]=4 1298 B12R1.364 CNC(=O)CCSC1CCC1=O 62a_100000737683_100009892977 [0,0,0,1,0,1|2,0,0]=4 1299 B12R1.364 CNC(=O)CCSC1CCC1=O 62a_100009892977_100000737683 [0,0,0,1,0,1|2,0,0]=4 1300 B12R1.1749 CNC(=O)CN1CC(C1)C(=O)N 34a_100025753142_100000183359 [0,0,0,1,0,1|2,0,0]=4 1301 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [0,1,0,1,0,0|2,0,0]=4 1302 B12R1.353 CNC(=O)CCC1CCOC1=O 11a_106832991635_100000117037 [0,1,0,1,0,0|1,0,0]=3 1303 B12R1.353 CNC(=O)CCC1CCOC1=O 1626a_100102657272_100000117037 [0,1,0,1,0,0|1,0,0]=3 1304 B12R1.353 CNC(=O)CCC1CCOC1=O 240690a_100102657272_100000117037 [0,1,0,1,0,0|1,0,0]=3 1305 B12R1.353 CNC(=O)CCC1CCOC1=O 527a_100102657272_100000117037 [0,1,0,1,0,0|1,0,0]=3 1306 B12R1.353 CNC(=O)CCN1CCOC1=O 11a_106832991635_100000744634 [0,1,0,1,0,0|2,0,0]=4 1307 B12R1.353 CNC(=O)CCN1CCOC1=O 1626a_100102657272_100000744634 [0,1,0,1,0,0|2,0,0]=4 1308 B12R1.353 CNC(=O)CCN1CCOC1=O 240690a_100102657272_100000744634 [0,1,0,1,0,0|2,0,0]=4 1309 B12R1.353 CNC(=O)CCN1CCOC1=O 527a_100102657272_100000744634 [0,1,0,1,0,0|2,0,0]=4 1310 B12R1.353 CNC(=O)CNC1CCOC1=O 2230a_100000693194_100000211211 [0,1,0,1,0,0|2,0,0]=4 1311 B12R1.353 CNC(=O)CN[C@@H]1CONC1=O 2230a_100000765999_100000183359 [0,1,0,1,0,0|2,0,0]=4 1312 B12R1.353 CNC(=O)CN[C@@H]1CONC1=O 34a_100000765999_100000183359 [0,1,0,1,0,0|2,0,0]=4 1313 B12R1.353 CNC(=O)COC1CCOC1=O 34a_100000750040_100000211211 [0,1,0,1,0,0|2,0,0]=4 1314 B12R1.353 CNC(=O)CSC1CCOC1=O 62a_100000183359_100000211211 [0,1,0,1,0,0|2,0,0]=4 1315 B12R1.353 CNC(=O)CSC1CCOC1=O 62a_100000211211_100000183359 [0,1,0,1,0,0|2,0,0]=4 1316 B12R1.1668 CNC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000183359 [0,1,0,1,0,0|2,0,0]=4 1317 B12R1.1845 CNC(=O)CNC1(CC1)C(=O)O 269956a_100000746478_100000183359 [0,1,0,1,0,0|2,0,0]=4 1318 B12R1.33 COC(=O)C(C)N1CNC(=O)C1 2230a_200000708111_100000211248 [0,1,0,1,0,0|2,0,0]=4 1319 B12R1.1658 O=C1CCN(CCN1)C(=O)CO 240690a_100000698595_100000210174 [0,1,0,1,0,0|2,0,0]=4 1320 B12R1.1658 O=C1CCN(CCN1)C(=O)CO 527a_100000698595_100000210174 [0,1,0,1,0,0|2,0,0]=4 1321 B12R1.1660 CCC(=O)C1CC(C1)C(=O)OC 1458a_100000210414_100009897219 [0,1,0,1,0,0|2,0,0]=4 1322 B12R1.1660 CNC(=O)C1CN(C1)C(=O)CO 240690a_100000703363_100000210174 [0,1,0,1,0,0|2,0,0]=4 1323 B12R1.1660 CNC(=O)C1CN(C1)C(=O)CO 527a_100000703363_100000210174 [0,1,0,1,0,0|2,0,0]=4 1324 B12R1.1660 CNC(=O)N1CC(C1)C(=O)OC 2708a_100102657272_100015188540 [0,1,0,1,0,0|2,0,0]=4 1325 B12R1.1660 CNC(=O)N1CC(C1)C(=O)OC 273464a_100102657272_100015188540 [0,1,0,1,0,0|2,0,0]=4 1326 B12R1.1660 COC(=O)C1CC(C1)C(=O)CO 1458a_100000210174_100009897219 [0,1,0,1,0,0|2,0,0]=4 1327 B12R1.1747 CNC(=O)CN1CC1C(=O)OC 2230a_200009830135_100000183359 [0,1,0,1,0,0|2,0,0]=4 1328 B12R1.56 CCN1CC(CCC1=O)C(=O)C 1458a_100011624518_200000210301 [0,1,0,1,0,0|2,0,0]=4 1329 B12R1.56 CCN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011624518_200025704644 [0,1,0,1,0,0|2,0,0]=4 1330 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [1,0,0,0,1,0|2,0,0]=4 1331 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [1,0,0,0,1,0|2,0,0]=4 1332 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [1,0,0,0,1,0|2,0,0]=4 1333 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [1,0,0,0,1,0|2,0,0]=4 1334 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,0,0,0,2,0|2,0,0]=4 1335 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,0,0,0,2,0|2,0,0]=4 1336 B10R0.55 C=C(Br)CCOCC(=O)NC 34a_100009813270_100000183359 [1,0,0,0,0,1|2,0,0]=4 1337 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [1,0,0,0,0,1|2,0,0]=4 1338 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [1,0,0,0,0,1|2,0,0]=4 1339 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [1,0,0,0,0,1|2,0,0]=4 1340 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [1,0,0,0,0,1|2,0,0]=4 1341 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [1,0,0,0,0,1|2,0,0]=4 1342 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [1,0,0,0,0,1|2,0,0]=4 1343 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [1,0,0,0,0,1|2,0,0]=4 1344 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [1,0,0,0,0,1|2,0,0]=4 1345 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [1,0,0,0,0,1|2,0,0]=4 1346 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [1,0,0,0,0,1|2,0,0]=4 1347 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [1,0,0,0,0,1|2,0,0]=4 1348 B10R0.55 C=C(F)CNCCC(=O)NC 2230a_100000738227_100009893438 [1,0,0,0,0,1|2,0,0]=4 1349 B10R0.55 C=C(F)CNCCC(=O)NC 34a_100000738227_100009893438 [1,0,0,0,0,1|2,0,0]=4 1350 B10R0.55 C=C(F)COCCC(=O)NC 34a_100000754576_100009893438 [1,0,0,0,0,1|2,0,0]=4 1351 B10R0.55 C=C(F)COCCC(=O)NC 34a_200010262243_100012179268 [1,0,0,0,0,1|2,0,0]=4 1352 B10R0.55 C=C(F)CSCCC(=O)NC 62a_100000042424_100000737683 [1,0,0,0,0,1|2,0,0]=4 1353 B10R0.55 C=C(F)CSCCC(=O)NC 62a_100000737683_100000042424 [1,0,0,0,0,1|2,0,0]=4 1354 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,0,0,0,0,1|2,0,0]=4 1355 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,0,0,0,0,1|2,0,0]=4 1356 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,0,0,0,0,1|2,0,0]=4 1357 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,0,0,0,0,1|2,0,0]=4 1358 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [1,0,0,0,0,1|2,0,0]=4 1359 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [1,0,0,0,0,1|2,0,0]=4 1360 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [1,0,0,0,0,1|2,0,0]=4 1361 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [1,0,0,0,0,1|2,0,0]=4 1362 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [1,0,0,0,0,1|2,0,0]=4 1363 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [1,0,0,0,0,1|2,0,0]=4 1364 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [1,0,0,0,0,1|2,0,0]=4 1365 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [1,0,0,0,0,1|2,0,0]=4 1366 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [1,0,0,0,0,1|2,0,0]=4 1367 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [1,0,0,0,0,1|2,0,0]=4 1368 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [1,0,0,0,0,1|2,0,0]=4 1369 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [1,0,0,0,0,1|2,0,0]=4 1370 B10R0.55 CNC(=O)CCCN=C(N)N 240690a_100102657272_100000034108 [1,0,0,0,0,1|2,0,0]=4 1371 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [1,0,0,0,0,1|1,0,0]=3 1372 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [1,0,0,0,0,1|1,0,0]=3 1373 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [1,0,0,0,0,1|1,0,0]=3 1374 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [1,0,0,0,0,1|1,0,0]=3 1375 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [1,0,0,0,0,1|1,0,0]=3 1376 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [1,0,0,0,0,1|1,0,0]=3 1377 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [1,0,0,0,0,1|1,0,0]=3 1378 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000711301_100000737683 [1,0,0,0,0,1|1,0,0]=3 1379 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000738227_100000747473 [1,0,0,0,0,1|1,0,0]=3 1380 B10R0.55 CNC(=O)CCNCC(=O)N 34a_100000738227_100000187820 [1,0,0,0,0,1|1,0,0]=3 1381 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [1,0,0,0,0,1|0,0,0]=2 1382 B10R0.55 CNC(=O)CCNCC(=O)[O-] 34a_100000738227_100020667443 [1,0,0,0,0,1|0,0,1]=3 1383 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [1,0,0,0,0,1|1,0,1]=4 1384 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [1,0,0,0,0,1|1,0,1]=4 1385 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [1,0,0,0,0,1|1,0,1]=4 1386 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [1,0,0,0,0,1|1,0,1]=4 1387 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [1,0,0,0,0,1|1,0,1]=4 1388 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [1,0,0,0,0,1|1,0,1]=4 1389 B10R0.55 CNC(=O)CCNC[N+](=O)[O-] 34a_100000738227_100000761209 [1,0,0,0,0,1|1,0,1]=4 1390 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [1,0,0,0,0,1|1,0,0]=3 1391 B10R0.55 CNC(=O)CCOCC(=O)N 34a_100000754576_100000187820 [1,0,0,0,0,1|1,0,0]=3 1392 B10R0.55 CNC(=O)CCOCC(=O)[O-] 34a_100000754576_100020667443 [1,0,0,0,0,1|0,0,1]=3 1393 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [1,0,0,0,0,1|1,0,1]=4 1394 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [1,0,0,0,0,1|1,0,1]=4 1395 B10R0.55 CNC(=O)CCOC[N+](=O)[O-] 34a_100000754576_100000761209 [1,0,0,0,0,1|1,0,1]=4 1396 B10R0.55 CNC(=O)CCSCC(=O)N 11a_106832991635_100000148550 [1,0,0,0,0,1|1,0,0]=3 1397 B10R0.55 CNC(=O)CCSCC(=O)N 240690a_100102657272_100000148550 [1,0,0,0,0,1|1,0,0]=3 1398 B10R0.55 CNC(=O)CCSCC(=O)N 527a_100102657272_100000148550 [1,0,0,0,0,1|1,0,0]=3 1399 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000737683_100000747473 [1,0,0,0,0,1|1,0,0]=3 1400 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000747473_100000737683 [1,0,0,0,0,1|1,0,0]=3 1401 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100000737683_100020667443 [1,0,0,0,0,1|0,0,1]=3 1402 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737683 [1,0,0,0,0,1|0,0,1]=3 1403 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [1,0,0,0,0,1|1,0,1]=4 1404 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [1,0,0,0,0,1|1,0,1]=4 1405 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [1,0,0,0,0,1|1,0,1]=4 1406 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [1,0,0,0,0,1|1,0,1]=4 1407 B10R0.55 CNC(=O)CCSC[N+](=O)[O-] 62a_100000737683_100000761209 [1,0,0,0,0,1|1,0,1]=4 1408 B10R0.55 CNC(=O)CNCCC(=O)N 2230a_100000693194_100000744528 [1,0,0,0,0,1|1,0,0]=3 1409 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [1,0,0,0,0,1|1,0,1]=4 1410 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [1,0,0,0,0,1|1,0,1]=4 1411 B10R0.55 CNC(=O)CNOCC(=O)O 269956a_100000106656_100000183359 [1,0,0,0,0,1|1,0,0]=3 1412 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [1,0,0,0,0,1|1,0,0]=3 1413 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [1,0,0,0,0,1|1,0,0]=3 1414 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000750040_100000731001 [1,0,0,0,0,1|1,0,0]=3 1415 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000757172_100000183359 [1,0,0,0,0,1|1,0,0]=3 1416 B10R0.55 CNC(=O)COCCC(=O)N 7a_100000757172_100000183359 [1,0,0,0,0,1|1,0,0]=3 1417 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [1,0,0,0,0,1|1,0,1]=4 1418 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [1,0,0,0,0,1|2,0,0]=4 1419 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [1,0,0,0,0,1|1,0,0]=3 1420 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [1,0,0,0,0,1|1,0,0]=3 1421 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000183359_100000744528 [1,0,0,0,0,1|1,0,0]=3 1422 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000744528_100000183359 [1,0,0,0,0,1|1,0,0]=3 1423 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [1,0,0,0,0,1|1,0,1]=4 1424 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [1,0,0,0,0,1|1,0,1]=4 1425 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [1,0,0,0,0,1|2,0,0]=4 1426 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [1,0,0,0,0,1|2,0,0]=4 1427 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100000739312_100102657272 [1,0,0,0,0,1|1,0,0]=3 1428 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100102657272_100000739312 [1,0,0,0,0,1|1,0,0]=3 1429 B10R0.55 CNC(=O)NCCCC(=O)N 512a_100000739312_100102657272 [1,0,0,0,0,1|1,0,0]=3 1430 B10R0.55 CNC(=O)NCCCC(=O)N 512a_106832991638_100000739312 [1,0,0,0,0,1|1,0,0]=3 1431 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [1,0,0,0,0,1|2,0,0]=4 1432 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [1,0,0,0,0,1|2,0,0]=4 1433 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [1,0,0,0,0,1|2,0,0]=4 1434 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [1,0,0,0,0,1|2,0,0]=4 1435 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [1,0,0,0,0,1|2,0,0]=4 1436 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [1,0,0,0,0,1|2,0,0]=4 1437 B10R0.55 CNC(=O)NCCNC(=O)C 11a_100015205895_100015343762 [1,0,0,0,0,1|2,0,0]=4 1438 B10R0.55 CNC(=O)NCCNC(=O)C 240690a_100015205895_100015343762 [1,0,0,0,0,1|2,0,0]=4 1439 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100000209853_106832991635 [1,0,0,0,0,1|2,0,0]=4 1440 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100102657272_100000209853 [1,0,0,0,0,1|2,0,0]=4 1441 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100000209853_100102657272 [1,0,0,0,0,1|2,0,0]=4 1442 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100102657272_100000209853 [1,0,0,0,0,1|2,0,0]=4 1443 B10R0.55 CNC(=O)NCCNC(=O)C 512a_100000209853_100102657272 [1,0,0,0,0,1|2,0,0]=4 1444 B10R0.55 CNC(=O)NCCNC(=O)C 512a_106832991638_100000209853 [1,0,0,0,0,1|2,0,0]=4 1445 B10R0.55 CNC(=O)NCCNC(=O)C 527a_100015205895_100103153847 [1,0,0,0,0,1|2,0,0]=4 1446 B10R0.55 CNC(=O)NCCNC(=O)N 2708a_100102657272_100020590234 [1,0,0,0,0,1|2,0,0]=4 1447 B10R0.55 CNC(=O)NCCNC(=O)N 273464a_100020590234_100102657272 [1,0,0,0,0,1|2,0,0]=4 1448 B10R0.55 CNC(=O)NCCNC(=O)N 273464a_100102657272_100020590234 [1,0,0,0,0,1|2,0,0]=4 1449 B10R0.55 CNC(=O)NCCNC(=O)N 512a_100020590234_100102657272 [1,0,0,0,0,1|2,0,0]=4 1450 B10R0.55 CNC(=O)NCCNC(=O)N 512a_106832991638_100020590234 [1,0,0,0,0,1|2,0,0]=4 1451 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [1,0,0,0,0,1|2,0,0]=4 1452 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [1,0,0,0,0,1|2,0,0]=4 1453 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [1,0,0,0,0,1|2,0,0]=4 1454 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [1,0,0,0,0,1|2,0,0]=4 1455 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [1,0,0,0,0,1|2,0,0]=4 1456 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100020647217_106832991635 [1,0,0,0,0,1|2,0,0]=4 1457 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100102657272_100020647217 [1,0,0,0,0,1|2,0,0]=4 1458 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100020647217_100102657272 [1,0,0,0,0,1|2,0,0]=4 1459 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100102657272_100020647217 [1,0,0,0,0,1|2,0,0]=4 1460 B10R0.55 CNC(=O)NCCSC(=O)C 512a_100020647217_100102657272 [1,0,0,0,0,1|2,0,0]=4 1461 B10R0.55 CNC(=O)NCCSC(=O)C 512a_106832991638_100020647217 [1,0,0,0,0,1|2,0,0]=4 1462 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,0,0,0,0,1|2,0,0]=4 1463 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,0,0,0,0,1|2,0,0]=4 1464 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,0,0,0,0,1|2,0,0]=4 1465 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [1,0,0,0,0,1|2,0,0]=4 1466 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [1,0,0,0,0,1|2,0,0]=4 1467 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [1,0,0,0,0,1|1,0,0]=3 1468 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [1,0,0,0,0,1|2,0,0]=4 1469 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [1,0,0,0,0,1|2,0,0]=4 1470 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [1,0,0,0,0,1|2,0,0]=4 1471 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [1,0,0,0,0,1|1,0,1]=4 1472 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [1,0,0,0,0,1|1,0,1]=4 1473 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [1,0,0,0,0,1|2,0,0]=4 1474 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [1,0,0,0,0,1|2,0,0]=4 1475 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [1,0,0,0,0,1|2,0,0]=4 1476 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [1,0,0,0,0,1|2,0,0]=4 1477 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [1,0,0,0,0,1|2,0,0]=4 1478 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [1,0,0,0,0,1|2,0,0]=4 1479 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [1,0,0,0,0,1|2,0,0]=4 1480 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [1,0,0,0,0,1|2,0,0]=4 1481 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [1,0,0,0,0,1|2,0,0]=4 1482 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [1,0,0,0,0,1|2,0,0]=4 1483 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [1,0,0,0,0,1|2,0,0]=4 1484 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [1,0,0,0,0,1|2,0,0]=4 1485 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [1,0,0,0,0,1|2,0,0]=4 1486 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [1,0,0,0,0,1|2,0,0]=4 1487 B12R0.241 CCC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747405 [0,0,0,0,0,2|2,0,0]=4 1488 B12R0.241 CNC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100000741757 [0,0,0,0,0,2|2,0,0]=4 1489 B12R0.241 CNC(=O)CCSC(C)OC(=O)C 62a_100000737683_100009818208 [0,0,0,0,0,2|2,0,0]=4 1490 B12R0.241 CNC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000737683 [0,0,0,0,0,2|2,0,0]=4 1491 B12R0.241 CNC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000183359 [0,0,0,0,0,2|1,0,0]=3 1492 B12R0.241 COC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747449 [0,0,0,0,0,2|2,0,0]=4 1493 B12R0.186 CNC(=O)CCCNC(C)C(=O)C 2230a_100000740002_100009814033 [0,0,0,0,0,2|2,0,0]=4 1494 B12R0.186 CNC(=O)CCCNC(C)C(=O)N 2230a_100000740002_100000702099 [0,0,0,0,0,2|2,0,0]=4 1495 B12R0.186 CNC(=O)CCCNC(C)C(=O)N 34a_100000740002_100000702099 [0,0,0,0,0,2|2,0,0]=4 1496 B12R0.186 CNC(=O)CCCNC(F)C(=O)N 2230a_100000740002_100009813875 [0,0,0,0,0,2|2,0,0]=4 1497 B12R0.186 CNC(=O)CCCNC(F)C(=O)N 34a_100000740002_100009813875 [0,0,0,0,0,2|2,0,0]=4 1498 B12R0.186 CNC(=O)CCCNC(F)C(=O)[O-] 34a_100000740002_100020610796 [0,0,0,0,0,2|1,0,1]=4 1499 B12R0.186 CNC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000741757 [0,0,0,0,0,2|1,0,0]=3 1500 B12R0.186 CNC(=O)CCCN[C@H](C)C(=O)N 2230a_100000119354_100000741757 [0,0,0,0,0,2|2,0,0]=4 1501 B12R0.186 CNC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000741757 [0,0,0,0,0,2|2,0,0]=4 1502 B12R0.186 CNC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000741757 [0,0,0,0,0,2|2,0,0]=4 1503 B12R0.186 CNC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000741757 [0,0,0,0,0,2|1,0,1]=4 1504 B12R0.186 CNC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000741757 [0,0,0,0,0,2|2,0,0]=4 1505 B12R0.186 CNC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100000741757 [0,0,0,0,0,2|2,0,0]=4 1506 B12R0.186 CNC(=O)CCCSC(C)C(=O)C 62a_100000741757_100009814033 [0,0,0,0,0,2|2,0,0]=4 1507 B12R0.186 CNC(=O)CCCSC(C)C(=O)C 62a_100009814033_100000741757 [0,0,0,0,0,2|2,0,0]=4 1508 B12R0.186 CNC(=O)CCCSC(C)C(=O)N 62a_100000702099_100000741757 [0,0,0,0,0,2|2,0,0]=4 1509 B12R0.186 CNC(=O)CCCSC(C)C(=O)N 62a_100000741757_100000702099 [0,0,0,0,0,2|2,0,0]=4 1510 B12R0.186 CNC(=O)CCCSC(F)C(=O)N 62a_100000741757_100009813875 [0,0,0,0,0,2|2,0,0]=4 1511 B12R0.186 CNC(=O)CCCSC(F)C(=O)N 62a_100009813875_100000741757 [0,0,0,0,0,2|2,0,0]=4 1512 B12R0.186 CNC(=O)CCCSC(F)C(=O)[O-] 62a_100000741757_100020610796 [0,0,0,0,0,2|1,0,1]=4 1513 B12R0.186 CNC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100000741757 [0,0,0,0,0,2|1,0,1]=4 1514 B12R0.186 CNC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000737683 [0,0,0,0,0,2|1,0,0]=3 1515 B12R0.186 CNC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000737683 [0,0,0,0,0,2|1,0,0]=3 1516 B12R0.186 CNC(=O)CCOCC(C)C(=O)C 34a_100000032740_100012179268 [0,0,0,0,0,2|2,0,0]=4 1517 B12R0.186 CNC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000737683 [0,0,0,0,0,2|2,0,0]=4 1518 B12R0.186 CNC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012179268 [0,0,0,0,0,2|1,0,0]=3 1519 B12R0.186 CNC(=O)NCCNC(C)C(=O)N 34a_100015205895_100000702099 [0,0,0,0,0,2|2,0,0]=4 1520 B12R0.186 CNC(=O)NCCNC(F)C(=O)N 34a_100015205895_100009813875 [0,0,0,0,0,2|2,0,0]=4 1521 B12R0.186 CNC(=O)NCCNC(F)C(=O)[O-] 34a_100015205895_100020610796 [0,0,0,0,0,2|1,0,1]=4 1522 B12R0.186 CNC(=O)OCCN[C@H](C)C(=O)N 34a_100000119354_200011997002 [0,0,0,0,0,2|2,0,0]=4 1523 B12R0.186 CNC(=O)OCCOC(C)C(=O)C 34a_100000212229_200011997002 [0,0,0,0,0,2|2,0,0]=4 1524 B12R0.186 CNC(=O)OCCO[C@@H](C)C(=O)[O-] 7a_217856618621_200011997002 [0,0,0,0,0,2|1,0,1]=4 1525 B12R0.186 CNC(=O)OCCO[C@H](C)C(=O)N 34a_100000731257_200011997002 [0,0,0,0,0,2|2,0,0]=4 1526 B12R0.186 CNC(=O)OCCO[C@H](C)C(=O)N 7a_100000731257_200011997002 [0,0,0,0,0,2|2,0,0]=4 1527 B12R0.186 CNC(=O)OCCSC(C)C(=O)C 62a_100009814033_200011997002 [0,0,0,0,0,2|2,0,0]=4 1528 B12R0.186 CNC(=O)OCCSC(C)C(=O)C 62a_200011997002_100009814033 [0,0,0,0,0,2|2,0,0]=4 1529 B12R0.186 CNC(=O)OCCSC(C)C(=O)N 62a_100000702099_200011997002 [0,0,0,0,0,2|2,0,0]=4 1530 B12R0.186 CNC(=O)OCCSC(C)C(=O)N 62a_200011997002_100000702099 [0,0,0,0,0,2|2,0,0]=4 1531 B12R0.186 CNC(=O)OCCSC(F)C(=O)N 62a_100009813875_200011997002 [0,0,0,0,0,2|2,0,0]=4 1532 B12R0.186 CNC(=O)OCCSC(F)C(=O)N 62a_200011997002_100009813875 [0,0,0,0,0,2|2,0,0]=4 1533 B12R0.186 CNC(=O)OCCSC(F)C(=O)[O-] 62a_100020610796_200011997002 [0,0,0,0,0,2|1,0,1]=4 1534 B12R0.186 CNC(=O)OCCSC(F)C(=O)[O-] 62a_200011997002_100020610796 [0,0,0,0,0,2|1,0,1]=4 1535 B12R0.186 COC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011218270 [0,0,0,0,0,2|2,0,0]=4 1536 B12R0.186 COC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000204255 [0,0,0,0,0,2|2,0,0]=4 1537 B12R0.186 COC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000204255 [0,0,0,0,0,2|2,0,0]=4 1538 B12R0.186 COC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000742370 [0,0,0,0,0,2|2,0,0]=4