0 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.1 C#CC(=O)CCNC(=O)C 1458a_100000211873_100000189650 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.1 C#CC(=O)CCNC(=O)N 1458a_100000211873_200000034859 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.1 C#CC(=O)CCOC(=O)C 1458a_100000211873_100009814007 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.1 C#CC(=O)CCOC(=O)N 1458a_100000211873_200011214921 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.1 C=C(C#N)CNCC(=O)O 269956a_100016091260_100000694840 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,0,0,0,0,0|3,0,0]=3 18 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.1 C=C(F)CNCC(=O)NC 2230a_100000693194_100009893438 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.1 C=C(F)COCC(=O)CC 34a_100000725409_100009893438 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.1 C=C(F)COCC(=O)NC 34a_100000750040_100009893438 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.1 C=C(F)COCC(=O)NC 34a_200010262243_100000183359 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000042424_100000183359 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000183359_100000042424 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [0,0,0,0,0,0|3,0,0]=3 30 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,0,0,0,0,0|2,0,1]=3 32 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.1 C=CC(=O)NCCC(=O)N 240690a_100000740010_200121576911 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,0,0,0,0,0|1,0,2]=3 47 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,0,0,0,0,0|2,0,0]=2 51 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,0,0,0,0,0|2,0,0]=2 52 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,0,0,0,0,0|2,0,1]=3 55 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,0,0,0,0,0|2,0,1]=3 57 B9R0.1 CCC(=O)CCN=C(N)N 1458a_100000033030_100000210202 [0,0,0,0,0,0|4,0,0]=4 58 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,0,0,0,0,0|3,0,0]=3 59 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,0,0,0,0,0|3,0,0]=3 60 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,0,0,0,0,0|3,0,0]=3 61 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,0,0,0,0,0|3,0,0]=3 62 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,0,0,0,0,0|3,0,0]=3 65 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,0,0,0,0,0|2,0,0]=2 66 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,0,0,0,0,0|3,0,0]=3 67 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.1 CCC(=O)COC[N+](=O)[O-] 34a_100000725409_100000761209 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,0,0,0,0,0|3,0,0]=3 73 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,0,0,0,0,0|3,0,0]=3 74 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,0,0,0,0,0|2,0,1]=3 75 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,0,0,0,0,0|2,0,1]=3 76 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.1 CCC(=O)CSC[N+](=O)[O-] 62a_100000747405_100000761209 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,0,0,0,0,0|3,0,0]=3 82 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,0,0,0,0,0|3,0,0]=3 83 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,0,0,0,0,0|4,0,0]=4 89 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,0,0,0,0,0|4,0,0]=4 90 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,0,0,0,0,0|3,0,0]=3 92 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,0,0,0,0,0|4,0,0]=4 94 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,0,0,0,0,0|2,0,0]=2 95 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,0,0,0,0,0|2,0,1]=3 100 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,0,0,0,0,0|2,0,1]=3 101 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,0,0,0,0,0|4,0,0]=4 102 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,0,0,0,0,0|4,0,0]=4 103 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,0,0,0,0,0|4,0,0]=4 104 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,0,0,0,0,0|4,0,0]=4 105 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,0,0,0,0,0|2,0,1]=3 106 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,0,0,0,0,0|2,0,1]=3 107 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,0,0,0,0,0|2,0,1]=3 108 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,0,0,0,0,0|2,0,1]=3 109 B9R0.1 CNC(=O)CCN=C(N)N 240690a_100102657272_100000033030 [0,0,0,0,0,0|4,0,0]=4 110 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,0,0,0,0,0|3,0,0]=3 111 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,0,0,0,0,0|3,0,0]=3 113 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,0,0,0,0,0|3,0,0]=3 114 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,0,0,0,0,0|3,0,0]=3 115 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,0,0,0,0,0|3,0,0]=3 116 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,0,0,0,0,0|3,0,0]=3 117 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [0,0,0,0,0,0|3,0,0]=3 118 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [0,0,0,0,0,0|3,0,0]=3 119 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,0,0,0,0,0|3,0,0]=3 120 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,0,0,0,0,0|3,0,0]=3 121 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [0,0,0,0,0,0|3,0,0]=3 122 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [0,0,0,0,0,0|3,0,0]=3 123 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,0,0,0,0,0|2,0,0]=2 124 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,0,0,0,0,0|3,0,1]=4 128 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,0,0,0,0,0|3,0,0]=3 129 B9R0.1 CNC(=O)COCC(=O)N 1626a_100102657272_100011219004 [0,0,0,0,0,0|3,0,0]=3 130 B9R0.1 CNC(=O)COCC(=O)N 240690a_100102657272_100011219004 [0,0,0,0,0,0|3,0,0]=3 131 B9R0.1 CNC(=O)COCC(=O)N 34a_100000750040_100000187820 [0,0,0,0,0,0|3,0,0]=3 132 B9R0.1 CNC(=O)COCC(=O)N 527a_100102657272_100011219004 [0,0,0,0,0,0|3,0,0]=3 133 B9R0.1 CNC(=O)COCC(=O)[O-] 34a_100000750040_100020667443 [0,0,0,0,0,0|2,0,1]=3 134 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.1 CNC(=O)COC[N+](=O)[O-] 34a_100000750040_100000761209 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [0,0,0,0,0,0|3,0,0]=3 138 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [0,0,0,0,0,0|3,0,0]=3 139 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [0,0,0,0,0,0|3,0,0]=3 140 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [0,0,0,0,0,0|3,0,0]=3 141 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [0,0,0,0,0,0|3,0,0]=3 142 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [0,0,0,0,0,0|2,0,1]=3 143 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [0,0,0,0,0,0|2,0,1]=3 144 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,0,0,0,0,0|3,0,1]=4 146 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,0,0,0,0,0|3,0,1]=4 147 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,0,0,0,0,0|3,0,1]=4 148 B9R0.1 CNC(=O)CSC[N+](=O)[O-] 62a_100000183359_100000761209 [0,0,0,0,0,0|3,0,1]=4 149 B9R0.1 CNC(=O)NCCC(=O)N 2708a_100102657272_100000740010 [0,0,0,0,0,0|3,0,0]=3 150 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100000740010_100102657272 [0,0,0,0,0,0|3,0,0]=3 151 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100102657272_100000740010 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.1 CNC(=O)NCCC(=O)N 512a_106832991638_100000740010 [0,0,0,0,0,0|3,0,0]=3 153 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,0,0,0,0,0|3,0,0]=3 158 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,0,0,0,0,0|3,0,1]=4 159 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,0,0,0,0,0|1,0,0]=1 160 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,0,0,0,0,0|1,0,0]=1 161 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,0,0,0,0,0|1,0,0]=1 162 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,0,0,0,0,0|3,0,0]=3 163 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,0,0,0,0,0|3,0,0]=3 164 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,0,0,0,0,0|3,0,0]=3 165 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,0,0,0,0,0|3,0,0]=3 166 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,0,0,0,0,0|2,0,0]=2 167 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,0,0,0,0,0|3,0,1]=4 168 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,0,0,0,0,0|3,0,1]=4 169 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,0,0,0,0,0|3,0,1]=4 170 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,0,0,0,0,0|3,0,1]=4 171 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,0,0,0,0,0|3,0,1]=4 172 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,0,0,0,0,0|2,0,0]=2 173 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,0,0,0,0,0|1,0,0]=1 174 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,0,0,0,0,0|3,0,1]=4 175 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,0,0,0,0,0|3,0,1]=4 176 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,0,0,0,0,0|2,0,1]=3 177 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,0,0,0,0,0|2,0,1]=3 178 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,0,0,0,0,0|2,0,0]=2 180 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,0,0,0,0,0|3,0,1]=4 181 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,0,0,0,0,0|3,0,1]=4 183 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,0,0,0,0,0|3,0,1]=4 186 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,0,0,0,0,0|2,0,0]=2 187 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,0,0,0,0,0|2,0,0]=2 188 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,0,0,0,0,0|2,0,0]=2 189 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,0,0,0,0,0|2,0,0]=2 190 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,0,0,0,0,0|1,0,1]=2 191 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,0,0,0,0,0|1,0,1]=2 192 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,0,0,0,0,0|3,0,1]=4 193 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,0,0,0,0,0|3,0,1]=4 194 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,0,0,0,0,0|2,0,1]=3 195 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,0,0,0,0,0|2,0,1]=3 196 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,0,0,0,0,0|3,0,1]=4 197 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,0,0,0,0,0|3,0,1]=4 198 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,0,0,0,0,0|2,0,1]=3 199 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,0,0,0,0,0|2,0,1]=3 200 B9R0.1 COC(=O)CSC[N+](=O)[O-] 62a_100000747449_100000761209 [0,0,0,0,0,0|2,0,1]=3 201 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,0,0,0,0,0|1,0,2]=3 202 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,0,0,0,0,0|3,0,1]=4 203 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,0,0,0,0,0|2,0,2]=4 204 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,0,0,0,0,0|3,0,1]=4 205 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,0,0,0,0,0|3,0,1]=4 206 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,0,0,0,0,0|3,0,1]=4 207 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,0,0,0,0,0|3,0,1]=4 208 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,0,0,0,0,0|3,0,1]=4 209 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,0,0,0,0,0|3,0,1]=4 210 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,0,0,0,0,0|3,0,0]=3 211 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [0,0,0,0,0,0|4,0,0]=4 212 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [0,0,0,0,0,0|4,0,0]=4 213 B9R0.1 NC(=O)COCC(=O)CF 1458a_100011219004_100015361967 [0,0,0,0,0,0|4,0,0]=4 214 B9R0.1 NC(=O)NCCC(=O)CF 1458a_100000181464_100015361967 [0,0,0,0,0,0|4,0,0]=4 215 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,0,0,0,0,0|4,0,0]=4 216 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,0,0,0,0,0|4,0,0]=4 217 B9R0.1 O=C(CF)CCC[N+](=O)[O-] 1458a_100016109205_100015361967 [0,0,0,0,0,0|3,0,1]=4 218 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [1,0,0,0,0,0|1,0,2]=4 220 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [1,0,0,0,0,0|2,0,1]=4 225 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [1,0,0,0,0,0|2,0,1]=4 226 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [1,0,0,0,0,0|2,0,1]=4 227 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [1,0,0,0,0,0|2,0,1]=4 228 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [1,0,0,0,0,0|2,0,1]=4 229 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,0,0,0,0,0|1,0,2]=4 230 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [1,0,0,0,0,0|2,0,1]=4 231 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,0,0,0,0,0|2,0,0]=3 232 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,0,0,0,0,0|2,0,0]=3 233 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,0,0,0,0,0|3,0,0]=4 235 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [1,0,0,0,0,0|2,0,0]=3 236 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [1,0,0,0,0,0|2,0,0]=3 237 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [1,0,0,0,0,0|2,0,0]=3 238 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [1,0,0,0,0,0|2,0,0]=3 239 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,0,0,0,0,0|3,0,0]=4 240 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,0,0,0,0,0|3,0,0]=4 241 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,0,0,0,0,0|3,0,0]=4 242 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,0,0,0,0,0|3,0,0]=4 243 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [1,0,0,0,0,0|3,0,0]=4 245 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [1,0,0,0,0,0|3,0,0]=4 246 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [1,0,0,0,0,0|3,0,0]=4 247 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [1,0,0,0,0,0|3,0,0]=4 248 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [1,0,0,0,0,0|3,0,0]=4 249 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [1,0,0,0,0,0|3,0,0]=4 250 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [1,0,0,0,0,0|3,0,0]=4 251 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [1,0,0,0,0,0|2,0,0]=3 256 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [1,0,0,0,0,0|3,0,0]=4 257 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [1,0,0,0,0,0|3,0,0]=4 258 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [1,0,0,0,0,0|3,0,0]=4 259 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [1,0,0,0,0,0|3,0,0]=4 260 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [1,0,0,0,0,0|3,0,0]=4 261 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [1,0,0,0,0,0|3,0,0]=4 262 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [1,0,0,0,0,0|3,0,0]=4 264 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [1,0,0,0,0,0|3,0,0]=4 265 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [1,0,0,0,0,0|2,0,0]=3 266 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [1,0,0,0,0,0|2,0,0]=3 267 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [1,0,0,0,0,0|3,0,0]=4 268 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,0,0,0,0,0|2,0,1]=4 269 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,0,0,0,0,0|2,0,1]=4 270 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,0,0,0,0,0|1,0,1]=3 272 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,0,0,0,0,0|1,0,1]=3 273 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,0,0,0,0,0|3,0,0]=4 274 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,0,0,0,0,0|3,0,0]=4 275 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,0,0,0,0,0|3,0,0]=4 276 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,0,0,0,0,0|2,0,0]=3 277 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,0,0,0,0,0|2,0,1]=4 278 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,0,0,0,0,0|2,0,1]=4 279 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,0,0,0,0,0|2,0,0]=3 280 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,0,0,0,0,0|2,0,0]=3 281 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,0,0,0,0,0|2,0,1]=4 285 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,0,0,0,0|2,0,1]=4 287 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,0,0,0,0,0|2,0,1]=4 290 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,0,0,0,0,0|2,0,1]=4 291 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,0,0,0,0,0|2,0,1]=4 292 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,0,0,0,0,0|2,0,1]=4 294 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,0,0,0,0,0|3,0,0]=4 295 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,0,0,0,0,0|3,0,0]=4 296 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,0,0,0,0,0|2,0,1]=4 297 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,0,0,0,0,0|2,0,1]=4 298 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,0,0,0,0,0|2,0,1]=4 300 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [1,0,0,0,0,0|2,0,1]=4 301 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 303 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 304 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,0,0,0,0,0|1,0,1]=3 305 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,0,0,0,0,0|3,0,0]=4 306 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,0,0,0,0,0|3,0,0]=4 307 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,0,0,0,0,0|3,0,0]=4 308 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,0,0,0,0,0|3,0,0]=4 309 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,0,0,0,0,0|3,0,0]=4 310 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,0,0,0,0,0|3,0,0]=4 311 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,0,0,0,0,0|3,0,0]=4 312 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,0,0,0,0,0|3,0,0]=4 313 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,0,0,0,0,0|3,0,0]=4 315 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,0,0,0,0,0|3,0,0]=4 316 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,0,0,0,0,0|3,0,0]=4 320 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [1,0,0,0,0,0|2,0,0]=3 321 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [1,0,0,0,0,0|2,0,0]=3 325 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [1,0,0,0,0,0|2,0,0]=3 330 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [1,0,0,0,0,0|2,0,1]=4 332 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,0,0,0,0,0|2,0,1]=4 333 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,0,0,0,0,0|2,0,1]=4 334 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,0,0,0,0,0|2,0,1]=4 335 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,0,0,0,0,0|2,0,1]=4 336 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,0,0,0,0,0|3,0,0]=4 338 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,0,0,0,0,0|3,0,0]=4 340 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,0,0,0,0,0|2,0,0]=3 342 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,0,0,0,0,0|2,0,0]=3 343 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,0,0,0,0,0|2,0,0]=3 344 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,0,0,0,0,0|2,0,0]=3 345 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,0,0,0,0,0|2,0,0]=3 346 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,0,0,0,0,0|2,0,0]=3 347 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,0,0,0,0,0|2,0,0]=3 348 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,0,0,0,0,0|1,0,1]=3 352 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,0,0,0,0,0|1,0,1]=3 353 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [1,0,0,0,0,0|2,0,1]=4 357 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [1,0,0,0,0,0|1,0,0]=2 358 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [1,0,0,0,0,0|1,0,0]=2 359 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [1,0,0,0,0,0|2,0,1]=4 360 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,0,0,0,0,0|1,0,1]=3 362 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,0,0,0,0,0|1,0,1]=3 363 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,0,0,0,0,0|3,0,0]=4 364 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,0,0,0,0,0|3,0,0]=4 365 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,0,0,0,0,0|3,0,0]=4 366 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,0,0,0,0,0|3,0,0]=4 367 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,0,0,0,0,0|2,0,1]=4 368 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,0,0,0,0,0|3,0,0]=4 370 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,0,0,0,0,0|3,0,0]=4 371 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,0,0,0,0,0|3,0,0]=4 372 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,0,0,0,0,0|2,0,1]=4 375 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,0,0,0,0,0|2,0,0]=3 377 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,0,0,0,0,0|3,0,0]=4 378 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [1,0,0,0,0,0|3,0,0]=4 379 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [1,0,0,0,0,0|3,0,0]=4 381 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [1,0,0,0,0,0|3,0,0]=4 382 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|1,1,1]=4 386 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|1,1,1]=4 387 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [1,0,0,0,0,0|3,0,0]=4 390 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,0,0,0,0,0|3,0,0]=4 391 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [1,0,0,0,0,0|3,0,0]=4 392 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [1,0,0,0,0,0|3,0,0]=4 393 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [1,0,0,0,0,0|2,0,1]=4 394 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [1,0,0,0,0,0|2,0,1]=4 395 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|2,0,1]=4 396 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|2,0,1]=4 397 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|2,0,1]=4 398 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|2,0,1]=4 399 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|3,0,0]=4 400 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|3,0,0]=4 401 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|3,0,0]=4 402 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|3,0,0]=4 404 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|3,0,0]=4 405 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|3,0,0]=4 407 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|3,0,0]=4 410 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|2,0,1]=4 411 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|2,0,1]=4 412 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|2,0,1]=4 413 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,0,0,0,0|2,0,1]=4 414 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,0,0,0,0,0|1,0,2]=4 415 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|1,0,1]=3 416 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|1,0,1]=3 417 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|1,0,1]=3 418 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|1,0,1]=3 419 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,0,0,0,0,0|1,0,2]=4 420 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,0,0,0,0,0|1,0,2]=4 421 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,0,0,0,0|2,0,1]=4 422 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,0,0,0,0|2,0,1]=4 423 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,0,0,0,0|2,0,1]=4 424 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,0,0,0,0,0|2,0,1]=4 428 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,0,0,0,0,0|2,0,1]=4 429 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,0,0,0,0|1,0,1]=3 430 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,0,0,0,0,0|2,0,1]=4 431 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,0,0,0,0,0|2,0,1]=4 432 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,0,0,0,0,0|2,0,1]=4 433 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,0,0,0,0,0|2,0,1]=4 434 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,0,0,0,0,0|2,0,1]=4 435 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,0,0,0,0,0|1,0,2]=4 436 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,0,0,0,0,0|2,0,1]=4 437 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,0,0,0,0,0|1,0,2]=4 439 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,0,0,0,0,0|1,0,2]=4 440 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,0,0,0,0,0|2,0,1]=4 441 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|2,0,1]=4 442 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|2,0,1]=4 443 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,0,0,0,0,0|2,0,1]=4 444 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,0,0,0,0,0|2,0,1]=4 445 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|1,1,1]=4 446 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|1,1,1]=4 447 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,0,0,0,0|1,1,1]=4 448 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|2,0,1]=4 449 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|1,0,1]=3 451 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|1,0,1]=3 452 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,0,0,0,0,0|1,0,2]=4 453 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,0,0,0,0,0|1,0,2]=4 454 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [1,0,0,0,0,0|3,0,0]=4 455 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,0|2,0,0]=3 456 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [1,0,0,0,0,0|2,0,1]=4 459 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [1,0,0,0,0,0|3,0,0]=4 460 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [1,0,0,0,0,0|3,0,0]=4 461 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [1,0,0,0,0,0|2,0,1]=4 462 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [1,0,0,0,0,0|2,0,1]=4 463 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,0,0,0,0,0|2,0,1]=4 464 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [1,0,0,0,0,0|3,0,0]=4 465 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,0,0,0,0|2,0,1]=4 466 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|1,0,0]=2 468 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,0|1,0,0]=2 469 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,0|2,0,1]=4 470 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,0|2,0,1]=4 471 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|1,0,1]=3 472 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,0,0,0,0|3,0,0]=4 473 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,0,0,0,0|3,0,0]=4 474 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,0,0,0,0,0|1,0,1]=3 475 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [1,0,0,0,0,0|3,0,0]=4 476 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,0|2,0,0]=3 477 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,0|2,0,0]=3 478 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,0,0|2,0,0]=3 479 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,0,0|2,0,0]=3 480 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,0|2,0,0]=3 481 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,0|2,0,0]=3 482 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,0|2,0,0]=3 483 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [1,0,0,0,0,0|2,0,0]=3 484 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [1,0,0,0,0,0|2,0,0]=3 485 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [1,0,0,0,0,0|1,0,1]=3 486 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,0,0,0,0,0|2,0,1]=4 487 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,0,0,0,0,0|2,0,1]=4 488 B8R0.28 CC(=O)COC[N+](=O)[O-] 34a_100000211253_100000761209 [1,0,0,0,0,0|2,0,1]=4 489 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,0,0|2,0,0]=3 490 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,0,0|2,0,0]=3 491 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,0,0|2,0,0]=3 492 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,0|2,0,0]=3 493 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,0,0,0,0,0|2,0,1]=4 494 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,0,0,0,0,0|2,0,1]=4 495 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,0|2,0,0]=3 496 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,0|2,0,1]=4 497 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,0|2,0,1]=4 498 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,0|1,0,2]=4 499 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,0,0,0,0,0|3,0,0]=4 500 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,0|2,0,0]=3 501 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,0|2,0,0]=3 502 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,0|1,0,2]=4 503 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [1,0,0,0,0,0|3,0,0]=4 504 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,0|2,0,0]=3 505 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [1,0,0,0,0,0|2,0,1]=4 507 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [1,0,0,0,0,0|2,0,1]=4 508 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [1,0,0,0,0,0|2,0,1]=4 509 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,0|1,0,1]=3 510 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [1,0,0,0,0,0|1,0,2]=4 511 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,0,0,0,0,0|1,0,1]=3 512 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [1,0,0,0,0,0|3,0,0]=4 513 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,0,0|2,0,0]=3 514 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [1,0,0,0,0,0|2,0,0]=3 515 B10R0.3 C#CCC(=O)CCCC(=O)C 1458a_100011220946_100011215641 [0,1,0,0,0,0|2,0,1]=4 516 B10R0.3 C#CCC(=O)CCCC(=O)N 1458a_100011220946_100102525003 [0,1,0,0,0,0|2,0,1]=4 517 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,1,0,0,0,0|3,0,0]=4 518 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,1,0,0,0,0|3,0,0]=4 519 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,1,0,0,0,0|3,0,0]=4 520 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,1,0,0,0,0|3,0,0]=4 521 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,1,0,0,0,0|3,0,0]=4 522 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,1,0,0,0,0|3,0,0]=4 523 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,1,0,0,0,0|2,0,1]=4 524 B10R0.3 C=CCC(=O)CCCC(=O)N 1458a_100000210193_100102525003 [0,1,0,0,0,0|2,0,1]=4 525 B10R0.3 C=COC(=O)CNCC(=O)N 2230a_100000711301_100000036128 [0,1,0,0,0,0|2,0,1]=4 526 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,1,0,0,0,0|1,0,1]=3 527 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [0,1,0,0,0,0|2,0,1]=4 528 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000036128_100000747473 [0,1,0,0,0,0|2,0,1]=4 529 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000747473_100000036128 [0,1,0,0,0,0|2,0,1]=4 530 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100000036128_100020667443 [0,1,0,0,0,0|1,0,2]=4 531 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100020667443_100000036128 [0,1,0,0,0,0|1,0,2]=4 532 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,1,0,0,0,0|2,0,0]=3 533 B10R0.3 CC#CC(=O)CCCC(=O)N 1458a_100000763181_100102525003 [0,1,0,0,0,0|2,0,0]=3 534 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,1,0,0,0,0|2,0,1]=4 535 B10R0.3 CC#CC(=O)CCNC(=O)C 1458a_100000763181_100000189650 [0,1,0,0,0,0|3,0,0]=4 536 B10R0.3 CC#CC(=O)CCNC(=O)N 1458a_100000763181_200000034859 [0,1,0,0,0,0|3,0,0]=4 537 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,1,0,0,0,0|3,0,0]=4 538 B10R0.3 CC#CC(=O)CCOC(=O)N 1458a_100000763181_200011214921 [0,1,0,0,0,0|3,0,0]=4 539 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,1,0,0,0,0|2,0,1]=4 540 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,1,0,0,0,0|2,0,1]=4 541 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,1,0,0,0,0|2,0,1]=4 542 B10R0.3 CC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215641 [0,1,0,0,0,0|2,0,1]=4 543 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,0|2,0,0]=3 544 B10R0.3 CC(=O)COCC(=O)NCO 34a_100000211253_100000185155 [0,1,0,0,0,0|3,0,0]=4 545 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,1,0,0,0,0|3,0,0]=4 546 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,1,0,0,0,0|3,0,0]=4 547 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,1,0,0,0,0|3,0,0]=4 548 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,1,0,0,0,0|3,0,0]=4 549 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,1,0,0,0,0|3,0,0]=4 550 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,1,0,0,0,0|3,0,0]=4 551 B10R0.3 CC(CCCC(=O)[O-])OCF 7a_100000761597_100015361967 [0,1,0,0,0,0|1,0,2]=4 552 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,1,0,0,0,0|2,0,1]=4 553 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,0,0,0,0|2,0,0]=3 554 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,1,0,0,0,0|2,0,0]=3 555 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,1,0,0,0,0|2,0,1]=4 556 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,1,0,0,0,0|3,0,0]=4 557 B10R0.3 CC=CC(=O)CCNC(=O)N 1458a_100000210699_200000034859 [0,1,0,0,0,0|3,0,0]=4 558 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,1,0,0,0,0|3,0,0]=4 559 B10R0.3 CC=CC(=O)CCOC(=O)N 1458a_100000210699_200011214921 [0,1,0,0,0,0|3,0,0]=4 560 B10R0.3 CC=CC(=O)NCCC(=O)N 11a_100000740010_100000210699 [0,1,0,0,0,0|3,0,0]=4 561 B10R0.3 CC=CC(=O)NCCC(=O)N 240690a_100000740010_100000210699 [0,1,0,0,0,0|3,0,0]=4 562 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,0|2,0,0]=3 563 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,0,0,0,0|2,0,0]=3 564 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,1,0,0,0,0|2,0,1]=4 565 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,1,0,0,0,0|2,0,1]=4 566 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,1,0,0,0,0|3,0,0]=4 567 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,1,0,0,0,0|3,0,0]=4 568 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,1,0,0,0,0|3,0,0]=4 569 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,1,0,0,0,0|3,0,0]=4 570 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,0,0,0,0|3,0,0]=4 571 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,1,0,0,0,0|3,0,0]=4 572 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,1,0,0,0,0|3,0,0]=4 573 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,1,0,0,0,0|3,0,0]=4 574 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,1,0,0,0,0|2,0,0]=3 575 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,1,0,0,0,0|3,0,0]=4 576 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,1,0,0,0,0|3,0,0]=4 577 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,1,0,0,0,0|3,0,0]=4 578 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,1,0,0,0,0|2,0,1]=4 579 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,1,0,0,0,0|2,0,1]=4 580 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,1,0,0,0,0|3,0,0]=4 582 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,1,0,0,0,0|3,0,0]=4 583 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,1,0,0,0,0|3,0,0]=4 584 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,0,0,0,0|2,0,0]=3 585 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,0,0,0,0|2,0,0]=3 586 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,1,0,0,0,0|2,0,1]=4 587 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 11a_100015525214_100016109205 [0,1,0,0,0,0|2,0,1]=4 588 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 240690a_100015525214_100016109205 [0,1,0,0,0,0|2,0,1]=4 589 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 527a_100015525214_100016109205 [0,1,0,0,0,0|2,0,1]=4 590 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,1,0,0,0,0|3,0,0]=4 591 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,1,0,0,0,0|3,0,0]=4 592 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,1,0,0,0,0|3,0,0]=4 593 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,1,0,0,0,0|3,0,0]=4 594 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,1,0,0,0,0|3,0,0]=4 595 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,1,0,0,0,0|3,0,0]=4 596 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,1,0,0,0,0|3,0,0]=4 597 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [0,1,0,0,0,0|3,0,0]=4 598 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [0,1,0,0,0,0|3,0,0]=4 599 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,1,0,0,0,0|3,0,0]=4 600 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [0,1,0,0,0,0|3,0,0]=4 601 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [0,1,0,0,0,0|3,0,0]=4 602 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,1,0,0,0,0|2,0,0]=3 603 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,1,0,0,0,0|3,0,0]=4 604 B10R0.3 CCNC(=O)COCC(=O)N 240690a_100015525214_100011219004 [0,1,0,0,0,0|3,0,0]=4 605 B10R0.3 CCNC(=O)COCC(=O)N 527a_100015525214_100011219004 [0,1,0,0,0,0|3,0,0]=4 606 B10R0.3 CCNC(=O)CSCC(=O)N 11a_100015525214_100000150265 [0,1,0,0,0,0|3,0,0]=4 607 B10R0.3 CCNC(=O)CSCC(=O)N 240690a_100015525214_100000150265 [0,1,0,0,0,0|3,0,0]=4 608 B10R0.3 CCNC(=O)CSCC(=O)N 527a_100015525214_100000150265 [0,1,0,0,0,0|3,0,0]=4 609 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000183381_100000747473 [0,1,0,0,0,0|3,0,0]=4 610 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000747473_100000183381 [0,1,0,0,0,0|3,0,0]=4 611 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100000183381_100020667443 [0,1,0,0,0,0|2,0,1]=4 612 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183381 [0,1,0,0,0,0|2,0,1]=4 613 B10R0.3 CCNC(=O)NCCC(=O)N 2708a_100015525214_100000740010 [0,1,0,0,0,0|3,0,0]=4 614 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100000740010_100015525214 [0,1,0,0,0,0|3,0,0]=4 615 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100015525214_100000740010 [0,1,0,0,0,0|3,0,0]=4 616 B10R0.3 CCNC(=O)NCCC(=O)N 512a_100015525214_100000740010 [0,1,0,0,0,0|3,0,0]=4 617 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,0|1,0,0]=2 618 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,0|1,0,0]=2 619 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,0|1,0,0]=2 620 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,1,0,0,0,0|3,0,0]=4 621 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,1,0,0,0,0|3,0,0]=4 622 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,1,0,0,0,0|2,0,0]=3 623 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,1,0,0,0,0|2,0,0]=3 624 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,1,0,0,0,0|1,0,0]=2 625 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,1,0,0,0,0|2,0,1]=4 626 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,1,0,0,0,0|2,0,0]=3 628 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,1,0,0,0,0|2,0,0]=3 629 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,1,0,0,0,0|2,0,0]=3 630 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,1,0,0,0,0|1,0,1]=3 631 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,1,0,0,0,0|1,0,1]=3 632 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,1,0,0,0,0|2,0,1]=4 633 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,1,0,0,0,0|2,0,1]=4 634 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,1,0,0,0,0|2,0,1]=4 635 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,1,0,0,0,0|2,0,1]=4 636 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,1,0,0,0,0|2,0,1]=4 637 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,1,0,0,0,0|2,0,0]=3 638 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,1,0,0,0,0|1,0,2]=4 639 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,1,0,0,0,0|3,0,0]=4 640 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,1,0,0,0,0|3,0,0]=4 641 B10R0.3 CNCC(=O)NCCC(=O)N 2230a_200138414118_200000210301 [0,1,0,0,0,0|3,0,0]=4 642 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,1,0,0,0,0|2,0,1]=4 643 B10R0.3 CNNC(=O)CCC[N+](=O)[O-] 22a_100016993582_100016109205 [0,1,0,0,0,0|2,0,1]=4 644 B10R0.3 CNNC(=O)CCNC(=O)C 22a_100016993582_100000183196 [0,1,0,0,0,0|3,0,0]=4 645 B10R0.3 CNNC(=O)CCNC(=O)N 22a_100016993582_100000181464 [0,1,0,0,0,0|3,0,0]=4 646 B10R0.3 CNNC(=O)COCC(=O)N 22a_100016993582_100011219004 [0,1,0,0,0,0|3,0,0]=4 647 B10R0.3 CNNC(=O)CSCC(=O)N 22a_100016993582_100000150265 [0,1,0,0,0,0|3,0,0]=4 648 B10R0.3 CNNC(=O)NCCC(=O)N 273464a_100000740010_100016993582 [0,1,0,0,0,0|3,0,0]=4 649 B10R0.3 CNNC(=O)NCCC(=O)N 512a_100016993582_100000740010 [0,1,0,0,0,0|3,0,0]=4 650 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,1,0,0,0,0|2,0,1]=4 651 B10R0.3 COCC(=O)CCC=C(F)F 1458a_100000210968_200009816681 [0,1,0,0,0,0|2,0,1]=4 652 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,0|1,0,0]=2 653 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,1,0,0,0,0|1,0,0]=2 654 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,1,0,0,0,0|2,0,1]=4 655 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,1,0,0,0,0|1,0,1]=3 656 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,1,0,0,0,0|3,0,0]=4 657 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,1,0,0,0,0|2,0,0]=3 658 B10R0.3 COCC(=O)CCNC(=O)N 1458a_100000210968_200000034859 [0,1,0,0,0,0|2,0,0]=3 659 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,1,0,0,0,0|2,0,0]=3 660 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,1,0,0,0,0|2,0,0]=3 661 B10R0.3 COCC(=O)NCCC(=O)N 11a_100000740010_100000210968 [0,1,0,0,0,0|2,0,0]=3 662 B10R0.3 COCC(=O)NCCC(=O)N 240690a_100000740010_100000210968 [0,1,0,0,0,0|2,0,0]=3 663 B10R0.3 COCC(=O)NCCC(=O)N 527a_100000740010_100000210968 [0,1,0,0,0,0|2,0,0]=3 664 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,1,0,0,0,0|2,0,1]=4 665 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,1,0,0,0,0|2,0,1]=4 666 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,1,0,0,0,0|1,0,2]=4 667 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,1,0,0,0,0|2,0,0]=3 668 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,0|1,1,0]=3 669 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,1,0,0,0,0|1,1,0]=3 670 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,1,0,0,0,0|1,1,1]=4 671 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,1,0,0,0,0|2,1,0]=4 672 B10R0.3 CSCC(=O)CCNC(=O)N 1458a_100000184570_200000034859 [0,1,0,0,0,0|2,1,0]=4 673 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,1,0,0,0,0|2,1,0]=4 674 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,1,0,0,0,0|2,1,0]=4 675 B10R0.3 CSCC(=O)NCCC(=O)N 11a_100000740010_100000184570 [0,1,0,0,0,0|2,1,0]=4 676 B10R0.3 CSCC(=O)NCCC(=O)N 240690a_100000740010_100000184570 [0,1,0,0,0,0|2,1,0]=4 677 B10R0.3 CSCC(=O)NCCC(=O)N 527a_100000740010_100000184570 [0,1,0,0,0,0|2,1,0]=4 678 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,1,0,0,0,0|2,1,0]=4 679 B10R0.3 N#CCC(=O)CCCC(=O)N 1458a_100051588842_100102525003 [0,1,0,0,0,0|2,0,1]=4 680 B10R0.3 NC(=O)CCCC(=O)C=CBr 1458a_100016273825_100102525003 [0,1,0,0,0,0|2,0,1]=4 681 B10R0.3 NC(=O)CCCC(=O)C=CCl 1458a_200016279998_100102525003 [0,1,0,0,0,0|2,0,1]=4 682 B10R0.3 NC(=O)CCCC(=O)C=CI 1458a_100016256311_100102525003 [0,1,0,0,0,0|2,0,1]=4 683 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,1,0,0,0,0|2,0,0]=3 684 B10R0.3 NC(=O)CCNC(=O)CCO 240690a_100000740010_100011216618 [0,1,0,0,0,0|3,0,0]=4 685 B10R0.3 NC(=O)CNCC(=O)NCO 2230a_100000711301_100000185155 [0,1,0,0,0,0|3,0,0]=4 686 B10R0.3 NC(=O)COCC(=O)CCF 1458a_100011219004_100011217306 [0,1,0,0,0,0|3,0,0]=4 687 B10R0.3 NC(=O)COCC(=O)CCO 1458a_100011219004_100000211926 [0,1,0,0,0,0|3,0,0]=4 688 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000185155_100000747473 [0,1,0,0,0,0|3,0,0]=4 689 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000747473_100000185155 [0,1,0,0,0,0|3,0,0]=4 690 B10R0.3 NC(=O)NCCC(=O)CCF 1458a_100000181464_100011217306 [0,1,0,0,0,0|3,0,0]=4 691 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100000181464_100000211926 [0,1,0,0,0,0|3,0,0]=4 692 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100011216618_200000034859 [0,1,0,0,0,0|3,0,0]=4 693 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,1,0,0,0,0|3,0,0]=4 694 B10R0.3 O=C(CCF)CCC[N+](=O)[O-] 1458a_100016109205_100011217306 [0,1,0,0,0,0|2,0,1]=4 695 B10R0.3 O=C(CCO)CCC[N+](=O)[O-] 1458a_100016109205_100000211926 [0,1,0,0,0,0|2,0,1]=4 696 B10R0.3 O=C(O)CNCC(=O)NCO 269956a_100016091260_100000185155 [0,1,0,0,0,0|2,0,0]=3 697 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100000185155_100020667443 [0,1,0,0,0,0|2,0,1]=4 698 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100020667443_100000185155 [0,1,0,0,0,0|2,0,1]=4 699 B10R0.3 [13CH3]NCC(=O)NCCC(=O)N 2230a_200138414118_200025704644 [0,1,0,0,0,0|3,0,0]=4 700 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [0,1,0,0,0,0|2,0,1]=4 701 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000198492_100000748629 [0,1,0,0,0,0|3,0,0]=4 702 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000225649_100000747449 [0,1,0,0,0,0|3,0,0]=4 703 B10R0.44 C=C(C)CN(C)CC(=O)OC 269982a_100000225649_100000747449 [0,1,0,0,0,0|3,0,0]=4 704 B10R0.44 C=C(F)CC(=O)CC(=O)OC 1458a_100000211351_100009893438 [0,1,0,0,0,0|2,0,1]=4 705 B10R0.44 C=C(F)CN(C)CC(=O)OC 2230a_100000198492_100009893438 [0,1,0,0,0,0|3,0,0]=4 706 B10R0.44 CCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747405 [0,1,0,0,0,0|2,0,1]=4 707 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,1,0,0,0,0|2,0,0]=3 708 B10R0.44 CNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000183359 [0,1,0,0,0,0|2,0,1]=4 709 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000189611_100000747473 [0,1,0,0,0,0|3,0,0]=4 710 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000183359 [0,1,0,0,0,0|3,0,0]=4 711 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [0,1,0,0,0,0|2,0,0]=3 712 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100000211351_100000187820 [0,1,0,0,0,0|1,0,1]=3 713 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747449 [0,1,0,0,0,0|1,0,1]=3 714 B10R0.44 COC(=O)CC(=O)CC(=O)[O-] 1458a_100000211351_100020667443 [0,1,0,0,0,0|0,0,2]=3 715 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,1,0,0,0,0|1,0,2]=4 716 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,1,0,0,0,0|1,0,2]=4 717 B10R0.44 COC(=O)CC(=O)C[N+](=O)[O-] 1458a_100000211351_100000761209 [0,1,0,0,0,0|1,0,2]=4 718 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,1,0,0,0,0|1,0,0]=2 719 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,1,0,0,0,0|1,0,0]=2 720 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000198492_100000747473 [0,1,0,0,0,0|2,0,0]=3 721 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000739694_100000747449 [0,1,0,0,0,0|2,0,0]=3 722 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,1,0,0,0,0|1,0,0]=2 723 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [0,1,0,0,0,0|2,0,1]=4 724 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [0,1,0,0,0,0|2,0,1]=4 725 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [0,1,0,0,0,0|2,0,1]=4 726 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [0,1,0,0,0,0|2,0,1]=4 727 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,1,0,0,0,0|2,0,0]=3 728 B10R0.44 COC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010850 [0,1,0,0,0,0|2,0,1]=4 729 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100000210245_100000211248 [0,1,0,0,0,0|3,0,0]=4 730 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100011215400_100000748629 [0,1,0,0,0,0|3,0,0]=4 731 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000211248_100000211660 [0,1,0,0,0,0|3,0,0]=4 732 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000748629_100000211248 [0,1,0,0,0,0|3,0,0]=4 733 B10R0.57 C=C(F)COC(C)C(=O)OC 34a_100011215400_100009893438 [0,1,0,0,0,0|3,0,0]=4 734 B10R0.57 C=C(F)COC(C)C(=O)OC 34a_200010262243_100000211248 [0,1,0,0,0,0|3,0,0]=4 735 B10R0.57 C=C(F)CSC(C)C(=O)OC 62a_100000042424_100000211248 [0,1,0,0,0,0|3,0,0]=4 736 B10R0.57 C=C(F)CSC(C)C(=O)OC 62a_100000211248_100000042424 [0,1,0,0,0,0|3,0,0]=4 737 B10R0.57 CCC(=O)C(C)NCC(=O)N 2230a_100000711301_100000742827 [0,1,0,0,0,0|3,0,0]=4 738 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,1,0,0,0,0|2,0,0]=3 739 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000742827_100000747473 [0,1,0,0,0,0|3,0,0]=4 740 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000747473_100000742827 [0,1,0,0,0,0|3,0,0]=4 741 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100000742827_100020667443 [0,1,0,0,0,0|2,0,1]=4 742 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000742827 [0,1,0,0,0,0|2,0,1]=4 743 B10R0.57 CCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210414 [0,1,0,0,0,0|3,0,0]=4 744 B10R0.57 CCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210414 [0,1,0,0,0,0|3,0,0]=4 745 B10R0.57 CCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210414 [0,1,0,0,0,0|3,0,0]=4 746 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,1,0,0,0,0|3,0,0]=4 747 B10R0.57 CNC(=O)C(C)CNC(=O)C 11a_100015187722_100015343762 [0,1,0,0,0,0|3,0,0]=4 748 B10R0.57 CNC(=O)C(C)CNC(=O)C 240690a_100015187722_100015343762 [0,1,0,0,0,0|3,0,0]=4 749 B10R0.57 CNC(=O)C(C)CNC(=O)C 527a_100015187722_100103153847 [0,1,0,0,0,0|3,0,0]=4 750 B10R0.57 CNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000731044 [0,1,0,0,0,0|3,0,0]=4 751 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [0,1,0,0,0,0|2,0,0]=3 752 B10R0.57 CNC(=O)C(C)OCC(=O)C 34a_100000211253_100000731044 [0,1,0,0,0,0|3,0,0]=4 753 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000209862_100000747473 [0,1,0,0,0,0|3,0,0]=4 754 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000747473_100000731044 [0,1,0,0,0,0|3,0,0]=4 755 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100000209862_100020667443 [0,1,0,0,0,0|2,0,1]=4 756 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000731044 [0,1,0,0,0,0|2,0,1]=4 757 B10R0.57 CNC(=O)C(F)NCC(=O)N 2230a_100000711301_100009813575 [0,1,0,0,0,0|3,0,0]=4 758 B10R0.57 CNC(=O)C(F)OCC(=O)C 34a_100000211253_100009813575 [0,1,0,0,0,0|3,0,0]=4 759 B10R0.57 CNC(=O)C(F)SCC(=O)N 62a_100000747473_100009813575 [0,1,0,0,0,0|3,0,0]=4 760 B10R0.57 CNC(=O)C(F)SCC(=O)N 62a_100009813575_100000747473 [0,1,0,0,0,0|3,0,0]=4 761 B10R0.57 CNC(=O)C(F)SCC(=O)[O-] 62a_100009813575_100020667443 [0,1,0,0,0,0|2,0,1]=4 762 B10R0.57 CNC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100009813575 [0,1,0,0,0,0|2,0,1]=4 763 B10R0.57 CNC(=O)N(C)CCC(=O)N 2708a_100102657272_100000730477 [0,1,0,0,0,0|3,0,0]=4 764 B10R0.57 CNC(=O)N(C)CCC(=O)N 273464a_100102657272_100000730477 [0,1,0,0,0,0|3,0,0]=4 765 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 2230a_100000684985_100000747473 [0,1,0,0,0,0|3,0,0]=4 766 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 34a_100000684985_100000187820 [0,1,0,0,0,0|3,0,0]=4 767 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)[O-] 34a_100000684985_100020667443 [0,1,0,0,0,0|2,0,1]=4 768 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 11a_106832991635_200015407212 [0,1,0,0,0,0|3,0,0]=4 769 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 1626a_100102657272_200015407212 [0,1,0,0,0,0|3,0,0]=4 770 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 240690a_100102657272_200015407212 [0,1,0,0,0,0|3,0,0]=4 771 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 527a_100102657272_200015407212 [0,1,0,0,0,0|3,0,0]=4 772 B10R0.57 COC(=O)C(=O)NCC(=O)N 11a_100000711301_100000024059 [0,1,0,0,0,0|2,0,1]=4 773 B10R0.57 COC(=O)C(=O)NCC(=O)N 240690a_100000711301_100000024059 [0,1,0,0,0,0|2,0,1]=4 774 B10R0.57 COC(=O)C(=O)NCC(=O)N 527a_100000711301_100000024059 [0,1,0,0,0,0|2,0,1]=4 775 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,0,0,0,0|1,0,0]=2 776 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,1,0,0,0,0|3,0,0]=4 777 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,1,0,0,0,0|3,0,0]=4 778 B10R0.57 COC(=O)C(C)NCC(=O)N 2230a_100000711301_100000211248 [0,1,0,0,0,0|2,0,0]=3 779 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,1,0,0,0,0|2,0,1]=4 780 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,1,0,0,0,0|2,0,1]=4 781 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,1,0,0,0,0|2,0,0]=3 782 B10R0.57 COC(=O)C(C)OCC(=O)N 34a_100011215400_100000187820 [0,1,0,0,0,0|2,0,0]=3 783 B10R0.57 COC(=O)C(C)OCC(=O)[O-] 34a_100011215400_100020667443 [0,1,0,0,0,0|1,0,1]=3 784 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,1,0,0,0,0|2,0,1]=4 785 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,1,0,0,0,0|2,0,1]=4 786 B10R0.57 COC(=O)C(C)OC[N+](=O)[O-] 34a_100011215400_100000761209 [0,1,0,0,0,0|2,0,1]=4 787 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000211248_100000747473 [0,1,0,0,0,0|2,0,0]=3 788 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000747473_100000211248 [0,1,0,0,0,0|2,0,0]=3 789 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100000211248_100020667443 [0,1,0,0,0,0|1,0,1]=3 790 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000211248 [0,1,0,0,0,0|1,0,1]=3 791 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,1,0,0,0,0|2,0,1]=4 792 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,1,0,0,0,0|2,0,1]=4 793 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,1,0,0,0,0|2,0,1]=4 794 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,1,0,0,0,0|2,0,1]=4 795 B10R0.57 COC(=O)C(C)SC[N+](=O)[O-] 62a_100000211248_100000761209 [0,1,0,0,0,0|2,0,1]=4 796 B10R0.57 COC(=O)C(O)CNC(=O)C 188690a_100000695228_100015343762 [0,1,0,0,0,0|2,0,0]=3 797 B10R0.59 C#CC(=O)CCCC(=O)NC 1458a_100000211873_100000741757 [0,1,0,0,0,0|2,0,0]=3 798 B10R0.59 C#CC(=O)CCCC(=O)OC 1458a_100000211873_100011218270 [0,1,0,0,0,0|1,0,0]=2 799 B10R0.59 C#CC(=O)CCOC(=O)NC 1458a_100000211873_200011997002 [0,1,0,0,0,0|3,0,0]=4 800 B10R0.59 C=C(C#N)CSCC(=O)OC 62a_100000747449_100000694840 [0,1,0,0,0,0|3,0,0]=4 801 B10R0.59 C=CC(=O)CCCC(=O)NC 1458a_100000185746_100000741757 [0,1,0,0,0,0|2,0,0]=3 802 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,1,0,0,0,0|1,0,0]=2 803 B10R0.59 C=CC(=O)CCOC(=O)NC 1458a_100000185746_200011997002 [0,1,0,0,0,0|3,0,0]=4 804 B10R0.59 C=CC(=O)NCCC(=O)NC 240690a_100000738227_200121576911 [0,1,0,0,0,0|3,0,0]=4 805 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000065099_100000210202 [0,1,0,0,0,0|3,0,0]=4 806 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000210414_100009813456 [0,1,0,0,0,0|3,0,0]=4 807 B10R0.59 C=CC(=O)OCCC(=O)CO 1458a_100000210174_100009813456 [0,1,0,0,0,0|2,0,1]=4 808 B10R0.59 C=CC(=O)OCCC(=O)NC 240690a_100102657272_100000065099 [0,1,0,0,0,0|3,0,0]=4 809 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000730141_100000747449 [0,1,0,0,0,0|2,0,1]=4 810 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000747449_100000730141 [0,1,0,0,0,0|2,0,1]=4 811 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,1,0,0,0,0|2,0,0]=3 812 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,1,0,0,0,0|1,0,0]=2 813 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,1,0,0,0,0|1,0,0]=2 814 B10R0.59 CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210202 [0,1,0,0,0,0|3,0,0]=4 815 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,1,0,0,0,0|3,0,0]=4 816 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [0,1,0,0,0,0|3,0,0]=4 817 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,1,0,0,0,0|2,0,0]=3 818 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [0,1,0,0,0,0|3,0,0]=4 819 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [0,1,0,0,0,0|3,0,0]=4 820 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [0,1,0,0,0,0|3,0,0]=4 821 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,1,0,0,0,0|2,0,0]=3 822 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,1,0,0,0,0|2,0,0]=3 823 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,1,0,0,0,0|2,0,0]=3 824 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,1,0,0,0,0|3,0,0]=4 825 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,1,0,0,0,0|3,0,0]=4 826 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,1,0,0,0,0|3,0,0]=4 827 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,1,0,0,0,0|2,0,0]=3 828 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,1,0,0,0,0|2,0,1]=4 829 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,1,0,0,0,0|2,0,1]=4 830 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,1,0,0,0,0|2,0,1]=4 831 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,1,0,0,0,0|3,0,0]=4 832 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,1,0,0,0,0|3,0,0]=4 833 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,1,0,0,0,0|3,0,0]=4 834 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,1,0,0,0,0|3,0,0]=4 835 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,1,0,0,0,0|1,0,0]=2 836 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,1,0,0,0,0|1,0,0]=2 837 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,1,0,0,0,0|1,0,0]=2 838 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,1,0,0,0,0|1,0,0]=2 839 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,1,0,0,0,0|1,0,0]=2 840 B10R0.59 CNC(=O)CCCN(C)N=O 11a_106832991635_200000076914 [0,1,0,0,0,0|3,0,0]=4 841 B10R0.59 CNC(=O)CCCN(C)N=O 1626a_100102657272_200000076914 [0,1,0,0,0,0|3,0,0]=4 842 B10R0.59 CNC(=O)CCCN(C)N=O 240690a_100102657272_200000076914 [0,1,0,0,0,0|3,0,0]=4 843 B10R0.59 CNC(=O)CCCN(C)N=O 527a_100102657272_200000076914 [0,1,0,0,0,0|3,0,0]=4 844 B10R0.59 CNC(=O)CCNC(=O)CO 240690a_100000738227_100000210174 [0,1,0,0,0,0|2,0,0]=3 845 B10R0.59 CNC(=O)CCNC(=O)CO 527a_100000738227_100000210174 [0,1,0,0,0,0|2,0,0]=3 846 B10R0.59 CNC(=O)CCNC(=O)NC 2708a_100102657272_100000738227 [0,1,0,0,0,0|3,0,0]=4 847 B10R0.59 CNC(=O)CCNC(=O)NC 273464a_100000738227_100102657272 [0,1,0,0,0,0|3,0,0]=4 848 B10R0.59 CNC(=O)CCNC(=O)NC 273464a_100102657272_100000738227 [0,1,0,0,0,0|3,0,0]=4 849 B10R0.59 CNC(=O)CCNC(=O)NC 512a_100000738227_100102657272 [0,1,0,0,0,0|3,0,0]=4 850 B10R0.59 CNC(=O)CCNC(=O)NC 512a_106832991638_100000738227 [0,1,0,0,0,0|3,0,0]=4 851 B10R0.59 CNC(=O)CNCC(=O)NC 2230a_100000693194_100000183359 [0,1,0,0,0,0|3,0,0]=4 852 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [0,1,0,0,0,0|2,0,0]=3 853 B10R0.59 CNC(=O)COCC(=O)NC 34a_100000750040_100000183359 [0,1,0,0,0,0|3,0,0]=4 854 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [0,1,0,0,0,0|2,0,0]=3 855 B10R0.59 CNC(=O)CSCC(=O)NC 62a_100000183359_100000183359 [0,1,0,0,0,0|3,0,0]=4 856 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [0,1,0,0,0,0|2,0,0]=3 857 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [0,1,0,0,0,0|2,0,0]=3 858 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [0,1,0,0,0,0|2,0,0]=3 859 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [0,1,0,0,0,0|2,0,0]=3 860 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [0,1,0,0,0,0|2,0,0]=3 861 B10R0.59 CNC(=O)OCCC(=O)CO 1458a_100000210174_200011997002 [0,1,0,0,0,0|2,0,0]=3 862 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,1,0,0,0,0|1,0,0]=2 863 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,1,0,0,0,0|0,0,0]=1 864 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,1,0,0,0,0|3,0,0]=4 865 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [0,1,0,0,0,0|1,0,0]=2 866 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,1,0,0,0,0|2,0,1]=4 867 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,1,0,0,0,0|2,0,1]=4 868 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,1,0,0,0,0|2,0,1]=4 869 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,1,0,0,0,0|2,0,1]=4 870 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,1,0,0,0,0|2,0,1]=4 871 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,1,0,0,0,0|2,0,1]=4 872 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,1,0,0,0,0|2,0,1]=4 873 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,1,0,0,0,0|2,0,1]=4 874 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,1,0,0,0,0|2,0,1]=4 875 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,1,0,0,0,0|1,0,2]=4 876 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,1,0,0,0,0|2,0,1]=4 877 B10R0.59 COC(=O)CSCC(=O)CF 1458a_100000191316_100015361967 [0,1,0,0,0,0|2,0,0]=3 878 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,1,0,0,0,0|1,0,0]=2 879 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,1,0,0,0,0|1,0,2]=4 880 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,1,0,0,0,0|1,0,2]=4 881 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,1,0,0,0,0|2,0,1]=4 882 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,1,0,0,0,0|2,0,1]=4 883 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,1,0,0,0,0|2,0,1]=4 884 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,1,0,0,0,0|2,0,1]=4 885 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,1,0,0,0,0|1,0,2]=4 886 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,1,0,0,0,0|1,0,2]=4 887 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [0,1,0,0,0,0|2,0,1]=4 888 B10R0.60 CCC(=O)CCCS(=O)(=O)N 1458a_100000210414_100000750626 [0,1,0,0,0,0|2,0,1]=4 889 B10R0.60 CCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210202 [0,1,0,0,0,0|2,0,1]=4 890 B10R0.60 CCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210414_100009813499 [0,1,0,0,0,0|2,0,1]=4 891 B10R0.60 CNC(=O)CCCS(=O)(=O)N 240690a_100102657272_100000739357 [0,1,0,0,0,0|2,0,1]=4 892 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,1,0,0,0,0|2,0,1]=4 893 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000747449_100000764493 [0,1,0,0,0,0|2,0,1]=4 894 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000764493_100000747449 [0,1,0,0,0,0|2,0,1]=4 895 B10R0.60 COC(=O)CSCS(=O)(=O)N 62a_100000741382_100000747449 [0,1,0,0,0,0|2,0,1]=4 896 B10R0.60 COC(=O)CSCS(=O)(=O)N 62a_100000747449_100000741382 [0,1,0,0,0,0|2,0,1]=4 897 B10R0.60 COC(=O)CSCS(=O)(=O)[O-] 62a_100000747449_100009817235 [0,1,0,0,0,0|2,0,1]=4 898 B10R0.60 COC(=O)CSCS(=O)(=O)[O-] 62a_100009817235_100000747449 [0,1,0,0,0,0|2,0,1]=4 899 B10R0.65 COC(C)(C)CNCC(=O)O 269956a_100016091260_100000701081 [0,1,0,0,0,0|2,0,1]=4 900 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,1,0,0,0,0|1,0,2]=4 901 B10R0.77 COC(CNCC(=O)O)OC 269956a_100016091260_100000751394 [0,1,0,0,0,0|1,0,2]=4 902 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,1,0,0,0,0|3,0,0]=4 903 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,0|2,0,0]=3 904 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [0,1,0,0,0,0|3,0,0]=4 905 B10R0.82 CCC(=O)COC(F)C(=O)N 34a_100000725409_100009813875 [0,1,0,0,0,0|3,0,0]=4 906 B10R0.82 CCC(=O)COC(F)C(=O)[O-] 34a_100000725409_100020610796 [0,1,0,0,0,0|2,0,1]=4 907 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [0,1,0,0,0,0|2,0,1]=4 908 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [0,1,0,0,0,0|3,0,0]=4 909 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,1,0,0,0,0|3,0,0]=4 910 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,1,0,0,0,0|3,0,0]=4 911 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [0,1,0,0,0,0|3,0,0]=4 912 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [0,1,0,0,0,0|3,0,0]=4 913 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100000747405_100009813875 [0,1,0,0,0,0|3,0,0]=4 914 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100009813875_100000747405 [0,1,0,0,0,0|3,0,0]=4 915 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100000747405_100020610796 [0,1,0,0,0,0|2,0,1]=4 916 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747405 [0,1,0,0,0,0|2,0,1]=4 917 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_100000750875_100015343762 [0,1,0,0,0,0|3,0,0]=4 918 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_106832991635_100011216537 [0,1,0,0,0,0|3,0,0]=4 919 B10R0.82 CNC(=O)CCN(C)C(=O)C 1626a_100102657272_100011216537 [0,1,0,0,0,0|3,0,0]=4 920 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100000750875_100015343762 [0,1,0,0,0,0|3,0,0]=4 921 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100102657272_100011216537 [0,1,0,0,0,0|3,0,0]=4 922 B10R0.82 CNC(=O)CCN(C)C(=O)C 527a_100000750875_100103153847 [0,1,0,0,0,0|3,0,0]=4 923 B10R0.82 CNC(=O)CNC(C)C(=O)C 2230a_100000693194_100009814033 [0,1,0,0,0,0|3,0,0]=4 924 B10R0.82 CNC(=O)CNC(C)C(=O)N 2230a_100000693194_100000702099 [0,1,0,0,0,0|3,0,0]=4 925 B10R0.82 CNC(=O)CNC(F)C(=O)N 2230a_100000693194_100009813875 [0,1,0,0,0,0|3,0,0]=4 926 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,0,0|2,0,0]=3 927 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183359 [0,1,0,0,0,0|3,0,0]=4 928 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183359 [0,1,0,0,0,0|3,0,0]=4 929 B10R0.82 CNC(=O)COC(C)C(=O)C 34a_100000212229_100000183359 [0,1,0,0,0,0|3,0,0]=4 930 B10R0.82 CNC(=O)COC(C)C(=O)N 34a_100000750040_100000702099 [0,1,0,0,0,0|3,0,0]=4 931 B10R0.82 CNC(=O)COC(F)C(=O)N 34a_100000750040_100009813875 [0,1,0,0,0,0|3,0,0]=4 932 B10R0.82 CNC(=O)COC(F)C(=O)[O-] 34a_100000750040_100020610796 [0,1,0,0,0,0|2,0,1]=4 933 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183359 [0,1,0,0,0,0|2,0,1]=4 934 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183359 [0,1,0,0,0,0|3,0,0]=4 935 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183359 [0,1,0,0,0,0|3,0,0]=4 936 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100000183359_100009814033 [0,1,0,0,0,0|3,0,0]=4 937 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183359 [0,1,0,0,0,0|3,0,0]=4 938 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000183359_100000702099 [0,1,0,0,0,0|3,0,0]=4 939 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183359 [0,1,0,0,0,0|3,0,0]=4 940 B10R0.82 CNC(=O)CSC(F)C(=O)N 62a_100000183359_100009813875 [0,1,0,0,0,0|3,0,0]=4 941 B10R0.82 CNC(=O)CSC(F)C(=O)N 62a_100009813875_100000183359 [0,1,0,0,0,0|3,0,0]=4 942 B10R0.82 CNC(=O)CSC(F)C(=O)[O-] 62a_100000183359_100020610796 [0,1,0,0,0,0|2,0,1]=4 943 B10R0.82 CNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000183359 [0,1,0,0,0,0|2,0,1]=4 944 B10R0.82 COC(=O)CCN(C)C(=O)C 11a_100025711912_100015343762 [0,1,0,0,0,0|2,0,0]=3 945 B10R0.82 COC(=O)CCN(C)C(=O)C 1626a_100025711912_100015343762 [0,1,0,0,0,0|2,0,0]=3 946 B10R0.82 COC(=O)CCN(C)C(=O)C 240690a_100025711912_100015343762 [0,1,0,0,0,0|2,0,0]=3 947 B10R0.82 COC(=O)CCN(C)C(=O)C 527a_100025711912_100103153847 [0,1,0,0,0,0|2,0,0]=3 948 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,0|1,0,0]=2 949 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747449 [0,1,0,0,0,0|2,0,0]=3 950 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000747449 [0,1,0,0,0,0|2,0,0]=3 951 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,1,0,0,0,0|2,0,0]=3 952 B10R0.82 COC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747449 [0,1,0,0,0,0|1,0,1]=3 953 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000747449 [0,1,0,0,0,0|2,0,0]=3 954 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747449 [0,1,0,0,0,0|2,0,0]=3 955 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,1,0,0,0,0|2,0,0]=3 956 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,1,0,0,0,0|2,0,0]=3 957 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000702099_100000747449 [0,1,0,0,0,0|2,0,0]=3 958 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000747449_100000702099 [0,1,0,0,0,0|2,0,0]=3 959 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100000747449_100009813875 [0,1,0,0,0,0|2,0,0]=3 960 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100009813875_100000747449 [0,1,0,0,0,0|2,0,0]=3 961 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100000747449_100020610796 [0,1,0,0,0,0|1,0,1]=3 962 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747449 [0,1,0,0,0,0|1,0,1]=3 963 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,0|2,0,1]=4 964 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,1,0,0,0,0|2,0,1]=4 965 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,1,0,0,0,0|2,0,0]=3 966 B10R0.98 C=C(C)C(=O)CCCC(=O)N 1458a_100000185857_100102525003 [0,1,0,0,0,0|2,0,0]=3 967 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,1,0,0,0,0|2,0,1]=4 968 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [0,1,0,0,0,0|3,0,0]=4 969 B10R0.98 C=C(C)C(=O)CCNC(=O)N 1458a_100000185857_200000034859 [0,1,0,0,0,0|3,0,0]=4 970 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,1,0,0,0,0|3,0,0]=4 971 B10R0.98 C=C(C)C(=O)CCOC(=O)N 1458a_100000185857_200011214921 [0,1,0,0,0,0|3,0,0]=4 972 B10R0.98 C=C(C)C(=O)NCCC(=O)N 11a_100000740010_100000185857 [0,1,0,0,0,0|3,0,0]=4 973 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,1,0,0,0,0|3,0,0]=4 974 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [0,1,0,0,0,0|2,0,0]=3 975 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011261029 [0,1,0,0,0,0|3,0,0]=4 976 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100011261029_100000747473 [0,1,0,0,0,0|3,0,0]=4 977 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100011261029_100020667443 [0,1,0,0,0,0|2,0,1]=4 978 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100020667443_100011261029 [0,1,0,0,0,0|2,0,1]=4 979 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,0,0,0,0|2,0,0]=3 980 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,1,0,0,0,0|2,0,0]=3 981 B10R0.98 CC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215641 [0,1,0,0,0,0|3,0,0]=4 982 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,1,0,0,0,0|2,0,0]=3 983 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,1,0,0,0,0|2,0,0]=3 984 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,1,0,0,0,0|2,0,0]=3 985 B10R0.98 CC(=O)COCC(=O)C(=O)C 34a_100000211253_100011261029 [0,1,0,0,0,0|3,0,0]=4 986 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [0,1,0,0,0,0|3,0,0]=4 987 B10R0.98 CC(=O)COCC(=O)N(C)C 34a_100000211253_100000692301 [0,1,0,0,0,0|3,0,0]=4 988 B10R0.98 CC(=O)CSCC(=O)N(C)C 1458a_100000150165_200000210301 [0,1,0,0,0,0|3,0,0]=4 989 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [0,1,0,0,0,0|3,0,0]=4 990 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [0,1,0,0,0,0|3,0,0]=4 991 B10R0.98 CC(=O)NCCC(=O)C(C)F 1458a_100000062450_100000189650 [0,1,0,0,0,0|3,0,0]=4 992 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100000738053_100015343762 [0,1,0,0,0,0|3,0,0]=4 993 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100102631434_100000183196 [0,1,0,0,0,0|3,0,0]=4 994 B10R0.98 CC(=O)NCCC(=O)N(C)C 1626a_100102631434_100000183196 [0,1,0,0,0,0|3,0,0]=4 995 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100000738053_100015343762 [0,1,0,0,0,0|3,0,0]=4 996 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100102631434_100000183196 [0,1,0,0,0,0|3,0,0]=4 997 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100000738053_100103153847 [0,1,0,0,0,0|3,0,0]=4 998 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100102631434_100000183196 [0,1,0,0,0,0|3,0,0]=4 999 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,1,0,0,0,0|3,0,0]=4 1000 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,1,0,0,0,0|3,0,0]=4 1001 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,1,0,0,0,0|3,0,0]=4 1002 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [0,1,0,0,0,0|3,0,0]=4 1003 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,1,0,0,0,0|3,0,0]=4 1004 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,1,0,0,0,0|3,0,0]=4 1005 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [0,1,0,0,0,0|3,0,0]=4 1006 B10R0.98 CC(=O)SCCC(=O)N(C)C 1626a_100102631434_100000048949 [0,1,0,0,0,0|3,0,0]=4 1007 B10R0.98 CC(=O)SCCC(=O)N(C)C 240690a_100102631434_100000048949 [0,1,0,0,0,0|3,0,0]=4 1008 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,1,0,0,0,0|2,0,0]=3 1009 B10R0.98 CC(C)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210206 [0,1,0,0,0,0|2,0,1]=4 1010 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000210206 [0,1,0,0,0,0|3,0,0]=4 1011 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000210198_200000034859 [0,1,0,0,0,0|3,0,0]=4 1012 B10R0.98 CC(C)C(=O)CCOC(=O)N 1458a_100000210198_200011214921 [0,1,0,0,0,0|3,0,0]=4 1013 B10R0.98 CC(C)C(=O)CNCC(=O)N 2230a_100000711301_100000753385 [0,1,0,0,0,0|3,0,0]=4 1014 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,1,0,0,0,0|2,0,0]=3 1015 B10R0.98 CC(C)C(=O)COCC(=O)N 1458a_100011219004_100000210206 [0,1,0,0,0,0|3,0,0]=4 1016 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000747473_100000753385 [0,1,0,0,0,0|3,0,0]=4 1017 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000753385_100000747473 [0,1,0,0,0,0|3,0,0]=4 1018 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100000753385_100020667443 [0,1,0,0,0,0|2,0,1]=4 1019 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000753385 [0,1,0,0,0,0|2,0,1]=4 1020 B10R0.98 CC(C)C(=O)NCCC(=O)N 11a_100000740010_100000210198 [0,1,0,0,0,0|3,0,0]=4 1021 B10R0.98 CC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000210198 [0,1,0,0,0,0|3,0,0]=4 1022 B10R0.98 CC(C)C(=O)NCCC(=O)N 527a_100000740010_100000210198 [0,1,0,0,0,0|3,0,0]=4 1023 B10R0.98 CC(C)N(C)CCCC(=O)O 269956a_100000719178_100000210206 [0,1,0,0,0,0|3,0,0]=4 1024 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [0,1,0,0,0,0|2,0,0]=3 1025 B10R0.98 CC(F)C(=O)CCNC(=O)N 1458a_100000062450_200000034859 [0,1,0,0,0,0|3,0,0]=4 1026 B10R0.98 CC(F)C(=O)CCOC(=O)N 1458a_100000062450_200011214921 [0,1,0,0,0,0|3,0,0]=4 1027 B10R0.98 CC(F)C(=O)NCCC(=O)N 11a_100000740010_100000062450 [0,1,0,0,0,0|3,0,0]=4 1028 B10R0.98 CC(F)C(=O)NCCC(=O)N 240690a_100000740010_100000062450 [0,1,0,0,0,0|3,0,0]=4 1029 B10R0.98 CC(F)C(=O)NCCC(=O)N 527a_100000740010_100000062450 [0,1,0,0,0,0|3,0,0]=4 1030 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,1,0,0,0,0|2,0,1]=4 1031 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,1,0,0,0,0|2,0,1]=4 1032 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,1,0,0,0,0|2,0,1]=4 1033 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,1,0,0,0,0|2,0,1]=4 1034 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,1,0,0,0,0|2,0,1]=4 1035 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,1,0,0,0,0|2,0,1]=4 1036 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 11a_100102631434_100016109205 [0,1,0,0,0,0|2,0,1]=4 1037 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 1626a_100102631434_100016109205 [0,1,0,0,0,0|2,0,1]=4 1038 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 240690a_100102631434_100016109205 [0,1,0,0,0,0|2,0,1]=4 1039 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 527a_100102631434_100016109205 [0,1,0,0,0,0|2,0,1]=4 1040 B10R0.98 CN(C)C(=O)CCNC(=O)N 240690a_100102631434_100000181464 [0,1,0,0,0,0|3,0,0]=4 1041 B10R0.98 CN(C)C(=O)CCNC(=O)N 527a_100102631434_100000181464 [0,1,0,0,0,0|3,0,0]=4 1042 B10R0.98 CN(C)C(=O)CNCC(=O)N 2230a_100000711301_100000185267 [0,1,0,0,0,0|3,0,0]=4 1043 B10R0.98 CN(C)C(=O)CNCC(=O)N 2230a_100015183351_100000747473 [0,1,0,0,0,0|3,0,0]=4 1044 B10R0.98 CN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000692301 [0,1,0,0,0,0|2,0,0]=3 1045 B10R0.98 CN(C)C(=O)COCC(=O)N 1626a_100102631434_100011219004 [0,1,0,0,0,0|3,0,0]=4 1046 B10R0.98 CN(C)C(=O)COCC(=O)N 240690a_100102631434_100011219004 [0,1,0,0,0,0|3,0,0]=4 1047 B10R0.98 CN(C)C(=O)COCC(=O)N 527a_100102631434_100011219004 [0,1,0,0,0,0|3,0,0]=4 1048 B10R0.98 CN(C)C(=O)CSCC(=O)N 11a_100102631434_100000150265 [0,1,0,0,0,0|3,0,0]=4 1049 B10R0.98 CN(C)C(=O)CSCC(=O)N 240690a_100102631434_100000150265 [0,1,0,0,0,0|3,0,0]=4 1050 B10R0.98 CN(C)C(=O)CSCC(=O)N 527a_100102631434_100000150265 [0,1,0,0,0,0|3,0,0]=4 1051 B10R0.98 CN(C)C(=O)CSCC(=O)N 62a_100000692301_100000747473 [0,1,0,0,0,0|3,0,0]=4 1052 B10R0.98 CN(C)C(=O)CSCC(=O)N 62a_100000747473_100000692301 [0,1,0,0,0,0|3,0,0]=4 1053 B10R0.98 CN(C)C(=O)CSCC(=O)[13CH3] 1458a_100000150165_200025704644 [0,1,0,0,0,0|3,0,0]=4 1054 B10R0.98 CN(C)C(=O)CSCC(=O)[O-] 62a_100000692301_100020667443 [0,1,0,0,0,0|2,0,1]=4 1055 B10R0.98 CN(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000692301 [0,1,0,0,0,0|2,0,1]=4 1056 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,1,0,0,0,0|2,0,0]=3 1057 B10R0.98 C[C@@H](O)C(=O)CCNC(=O)N 1458a_100000717761_200000034859 [0,1,0,0,0,0|3,0,0]=4 1058 B10R0.98 C[C@@H](O)C(=O)CCOC(=O)N 1458a_100000717761_200011214921 [0,1,0,0,0,0|3,0,0]=4 1059 B10R0.98 C[C@@H](O)C(=O)NCCC(=O)N 240690a_100000740010_100000717761 [0,1,0,0,0,0|3,0,0]=4 1060 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,1,0,0,0,0|2,0,0]=3 1061 B10R0.98 C[C@H](O)C(=O)CCNC(=O)N 1458a_217856618621_200000034859 [0,1,0,0,0,0|3,0,0]=4 1062 B10R0.98 C[C@H](O)C(=O)CCOC(=O)N 1458a_217856618621_200011214921 [0,1,0,0,0,0|3,0,0]=4 1063 B10R0.98 C[C@H](O)C(=O)NCCC(=O)N 240690a_100000740010_217856618621 [0,1,0,0,0,0|3,0,0]=4 1064 B10R0.98 NC(=O)CCCC(=O)C(O)O 1458a_100000233687_100102525003 [0,1,0,0,0,0|3,0,0]=4 1065 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,0,0,1,0,0|3,0,0]=4 1066 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,0,0,1,0,0|3,0,0]=4 1067 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,0,0,1,0,0|3,0,0]=4 1068 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,0,0|2,0,0]=3 1069 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,0,0,1,0,0|3,0,0]=4 1070 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,1,0,0|3,0,0]=4 1071 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,0,0|2,0,0]=3 1072 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,1,0,0|3,0,0]=4 1073 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,0,0,1,0,0|2,0,0]=3 1074 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,0,0,1,0,0|2,0,1]=4 1075 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,0,0,1,0,0|3,0,0]=4 1076 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,0,0,1,0,0|3,0,0]=4 1077 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,0,0,1,0,0|1,0,0]=2 1078 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,0,0,1,0,0|3,0,0]=4 1079 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,0,0,1,0,0|2,0,0]=3 1080 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,0,0,1,0,0|2,0,1]=4 1081 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,0,0,1,0,0|2,0,1]=4 1082 B10R1.14 CNC(=O)C1CNC(=O)C1 11a_106832991635_100000747279 [0,0,0,1,0,0|3,0,0]=4 1083 B10R1.14 CNC(=O)C1CNC(=O)C1 1626a_100102657272_100000747279 [0,0,0,1,0,0|3,0,0]=4 1084 B10R1.14 CNC(=O)C1CNC(=O)C1 240690a_100102657272_100000747279 [0,0,0,1,0,0|3,0,0]=4 1085 B10R1.14 CNC(=O)C1CNC(=O)C1 527a_100102657272_100000747279 [0,0,0,1,0,0|3,0,0]=4 1086 B10R1.14 CNC(=O)C1CNC(=O)N1 11a_106832991635_100000033324 [0,0,0,1,0,0|3,0,0]=4 1087 B10R1.14 CNC(=O)C1CNC(=O)N1 240690a_100102657272_100000033324 [0,0,0,1,0,0|3,0,0]=4 1088 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,0,0,1,0,0|1,0,0]=2 1089 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,0,0,1,0,0|1,0,0]=2 1090 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,0,0,1,0,0|1,0,0]=2 1091 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,0,0,1,0,0|1,0,0]=2 1092 B10R1.14 CNC(=O)[C@@H]1CSC(=O)N1 240690a_100102657272_100000735014 [0,0,0,1,0,0|3,0,0]=4 1093 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,0,0,1,0,0|3,0,0]=4 1094 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,0,0,1,0,0|3,0,0]=4 1095 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,0,0,1,0,0|3,0,0]=4 1096 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,0,0,1,0,0|3,0,0]=4 1097 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,0,0,1,0,0|3,0,0]=4 1098 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,0,0,1,0,0|2,0,0]=3 1099 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,0|2,0,1]=4 1100 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,1,0,0|2,0,1]=4 1101 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,1,0,0|3,0,0]=4 1102 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,0,0|3,0,0]=4 1103 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,0|2,0,0]=3 1104 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,1,0,0|3,0,0]=4 1105 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,0,0,1,0,0|2,0,0]=3 1106 B10R1.54 CC(=O)NC1CNC(=O)C1 11a_100000697751_100015343762 [0,0,0,1,0,0|3,0,0]=4 1107 B10R1.54 CC(=O)NC1CNC(=O)C1 1626a_100000697751_100015343762 [0,0,0,1,0,0|3,0,0]=4 1108 B10R1.54 CC(=O)NC1CNC(=O)C1 240690a_100000697751_100015343762 [0,0,0,1,0,0|3,0,0]=4 1109 B10R1.54 CC(=O)NC1CNC(=O)C1 527a_100000697751_100103153847 [0,0,0,1,0,0|3,0,0]=4 1110 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,1,0,0|3,0,0]=4 1111 B10R1.54 NC(=O)CN1CNC(=O)C1 2230a_200000708111_100000747473 [0,0,0,1,0,0|3,0,0]=4 1112 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,1,0,0|3,0,0]=4 1113 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,1,0,0|3,0,0]=4 1114 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,0|2,0,0]=3 1115 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,0,0,1,0,0|3,0,0]=4 1116 B10R1.117 NC(=O)CSC1CCC1=O 62a_100000747473_100009892977 [0,0,0,1,0,0|3,0,0]=4 1117 B10R1.117 NC(=O)CSC1CCC1=O 62a_100009892977_100000747473 [0,0,0,1,0,0|3,0,0]=4 1118 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,0,0|2,0,0]=3 1119 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100009892977_100020667443 [0,0,0,1,0,0|2,0,1]=4 1120 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100020667443_100009892977 [0,0,0,1,0,0|2,0,1]=4 1121 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,0,0,1,0,0|2,0,1]=4 1122 B10R1.150 C#CC(=O)CC1CC(=O)C1 1458a_100000211873_100009874392 [0,0,0,1,0,0|2,0,1]=4 1123 B10R1.150 C=CC(=O)CC1CC(=O)C1 1458a_100000185746_100009874392 [0,0,0,1,0,0|2,0,1]=4 1124 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,0,0,1,0,0|2,0,0]=3 1125 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [0,0,0,1,0,0|3,0,0]=4 1126 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [0,0,0,1,0,0|3,0,0]=4 1127 B10R1.150 COC(=O)CN1CC(C1)O 269982a_100000749847_100000747449 [0,0,0,1,0,0|2,0,1]=4 1128 B10R1.150 O=C(CO)CC1CC(=O)C1 1458a_100000210174_100009874392 [0,0,0,1,0,0|3,0,0]=4 1129 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,0,0,1,0,0|2,0,1]=4 1130 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,0,0,1,0,0|2,0,1]=4 1131 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,0,0,1,0,0|2,0,1]=4 1132 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,0,0,1,0,0|2,0,1]=4 1133 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,0,0,1,0,0|2,0,1]=4 1134 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,0,0,1,0,0|2,0,1]=4 1135 B10R1.168 CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210202 [0,0,0,1,0,0|3,0,0]=4 1136 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,0,0,1,0,0|2,0,0]=3 1137 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,0,0,1,0,0|2,0,0]=3 1138 B10R1.350 CC1(CO1)CNCC(=O)O 269956a_100016091260_100000760498 [0,0,0,1,0,0|2,0,1]=4 1139 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,0,0,1,0,0|1,0,0]=2 1140 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,0,0,1,0,0|1,0,0]=2 1141 B10R1.408 COC(=O)C1CN1C(=O)C 240690a_200009830135_100015343762 [0,0,0,1,0,0|2,0,0]=3 1142 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,0,0,0,1,0|3,0,0]=4 1143 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,0,0,0,1,0|3,0,0]=4 1144 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,0,0,0,1,0|3,0,0]=4 1145 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,0,0,0,1,0|3,0,0]=4 1146 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,0,0,0,1,0|3,0,0]=4 1147 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,0,0,0,1,0|3,0,0]=4 1148 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,0,0,1,0|2,0,0]=3 1149 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,0,0,1,0|2,0,1]=4 1150 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,0,0,0,1,0|2,0,1]=4 1151 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,1,0|3,0,0]=4 1152 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,0,0,0,1,0|3,0,0]=4 1153 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,1,0|3,0,0]=4 1154 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,1,0|3,0,0]=4 1155 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,1,0|3,0,0]=4 1156 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,0,0,0,1,0|3,0,0]=4 1157 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,0,0,0,1,0|3,0,0]=4 1158 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,0,0,0,1,0|3,0,0]=4 1159 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,1,0|3,0,0]=4 1160 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,0,0,0,1,0|3,0,0]=4 1161 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,0,0,0,1,0|3,0,0]=4 1162 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,1,0|2,0,0]=3 1163 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,0,0,0,1,0|2,0,0]=3 1164 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,0,0,0,1,0|2,0,0]=3 1165 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,1,0|2,0,0]=3 1166 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,0,0,0,1,0|2,0,1]=4 1167 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,0,0,0,1,0|2,0,1]=4 1168 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,0,0,0,1,0|2,0,1]=4 1169 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,0,0,0,1,0|2,0,1]=4 1170 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,0,0,0,1,0|3,0,0]=4 1171 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,0,0,0,1,0|3,0,0]=4 1172 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,0,0,0,1,0|3,0,0]=4 1173 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,0,0,0,1,0|3,0,0]=4 1174 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,0,0,0,1,0|3,0,0]=4 1175 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,0,0,0,1,0|3,0,0]=4 1176 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,0,0,0,1,0|3,0,0]=4 1177 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [0,0,0,0,1,0|3,0,0]=4 1178 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [0,0,0,0,1,0|3,0,0]=4 1179 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,0,0,0,1,0|3,0,0]=4 1180 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,0,0,0,1,0|3,0,0]=4 1181 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,0,0,0,1,0|3,0,0]=4 1182 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,0,0,0,1,0|3,0,0]=4 1183 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,0,0,0,1,0|3,0,0]=4 1184 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,0,0,0,1,0|3,0,0]=4 1185 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [0,0,0,0,1,0|3,0,0]=4 1186 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,0,0,0,1,0|3,0,0]=4 1187 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,0,0,0,1,0|3,0,0]=4 1188 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,0,0,0,1,0|3,0,0]=4 1189 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,0,0,0,1,0|3,0,0]=4 1190 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,0,0,1,0|1,0,0]=2 1191 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,0,0,1,0|1,0,0]=2 1192 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,0,0,0,1,0|3,0,0]=4 1193 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,0,0,0,1,0|3,0,0]=4 1194 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,0,0,0,1,0|3,0,0]=4 1195 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,0,0,0,1,0|3,0,0]=4 1196 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,0,0,0,1,0|2,0,0]=3 1197 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,0,0,0,1,0|2,0,0]=3 1198 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,0,0,0,1,0|2,0,0]=3 1199 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,0,0,1,0|2,0,1]=4 1200 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,0,0,0,1,0|3,0,0]=4 1201 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,0,0,0,0,1|2,0,1]=4 1202 B10R0.55 C#CC(=O)CCCOC(=O)C 1458a_100000211873_100000042594 [0,0,0,0,0,1|2,0,1]=4 1203 B10R0.55 C#CC(=O)CCCSC(=O)C 1458a_100000211873_100000038929 [0,0,0,0,0,1|2,0,1]=4 1204 B10R0.55 C#CC(=O)CCOCC(=O)N 1458a_100000211873_100000076697 [0,0,0,0,0,1|2,0,1]=4 1205 B10R0.55 C=C(Br)CCOCC(=O)NC 34a_100009813270_100000183359 [0,0,0,0,0,1|3,0,0]=4 1206 B10R0.55 C=C(Br)CCOCC(=O)OC 34a_100009813270_100000747449 [0,0,0,0,0,1|2,0,0]=3 1207 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [0,0,0,0,0,1|3,0,0]=4 1208 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,0,0,0,0,1|3,0,0]=4 1209 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,0,0,0,0,1|3,0,0]=4 1210 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,0,0,0,0,1|3,0,0]=4 1211 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,0,0,0,0,1|2,0,0]=3 1212 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,0,0,0,0,1|3,0,0]=4 1213 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,0,0,0,0,1|3,0,0]=4 1214 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [0,0,0,0,0,1|3,0,0]=4 1215 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [0,0,0,0,0,1|3,0,0]=4 1216 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,0,0,0,0,1|2,0,0]=3 1217 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,0,0,0,0,1|2,0,0]=3 1218 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [0,0,0,0,0,1|3,0,0]=4 1219 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [0,0,0,0,0,1|3,0,0]=4 1220 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [0,0,0,0,0,1|3,0,0]=4 1221 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [0,0,0,0,0,1|3,0,0]=4 1222 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,0,0,0,0,1|2,0,0]=3 1223 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [0,0,0,0,0,1|3,0,0]=4 1224 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [0,0,0,0,0,1|3,0,0]=4 1225 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,0,0,0,0,1|2,0,0]=3 1226 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,0,0,0,0,1|2,0,0]=3 1227 B10R0.55 C=C(C)CSCOC(=O)OC 62a_100000748629_100000139417 [0,0,0,0,0,1|3,0,0]=4 1228 B10R0.55 C=C(F)CNCCC(=O)NC 2230a_100000738227_100009893438 [0,0,0,0,0,1|3,0,0]=4 1229 B10R0.55 C=C(F)CNCCC(=O)NC 34a_100000738227_100009893438 [0,0,0,0,0,1|3,0,0]=4 1230 B10R0.55 C=C(F)COCCC(=O)NC 34a_100000754576_100009893438 [0,0,0,0,0,1|3,0,0]=4 1231 B10R0.55 C=C(F)COCCC(=O)NC 34a_200010262243_100012179268 [0,0,0,0,0,1|3,0,0]=4 1232 B10R0.55 C=C(F)COCCC(=O)OC 34a_200010262243_100000742370 [0,0,0,0,0,1|2,0,0]=3 1233 B10R0.55 C=C(F)CSCCC(=O)NC 62a_100000042424_100000737683 [0,0,0,0,0,1|3,0,0]=4 1234 B10R0.55 C=C(F)CSCCC(=O)NC 62a_100000737683_100000042424 [0,0,0,0,0,1|3,0,0]=4 1235 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000042424_100000204255 [0,0,0,0,0,1|2,0,0]=3 1236 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000204255_100000042424 [0,0,0,0,0,1|2,0,0]=3 1237 B10R0.55 C=C(F)CSCOC(=O)OC 62a_100000042424_100000139417 [0,0,0,0,0,1|3,0,0]=4 1238 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,0,0,0,0,1|2,0,1]=4 1239 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,0,0,0,0,1|2,0,1]=4 1240 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,0,0,0,0,1|2,0,1]=4 1241 B10R0.55 C=CC(=O)CCOCC(=O)N 1458a_100000185746_100000076697 [0,0,0,0,0,1|2,0,1]=4 1242 B10R0.55 C=CC(=O)NCCCC(=O)N 240690a_100000739312_200121576911 [0,0,0,0,0,1|2,0,1]=4 1243 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,0,0,0,0,1|3,0,0]=4 1244 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,0,0,0,0,1|3,0,0]=4 1245 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,0,0,0,0,1|3,0,0]=4 1246 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,0,0,0,0,1|3,0,0]=4 1247 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,0,0,0,0,1|2,0,1]=4 1248 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,0,0,0,0,1|2,0,0]=3 1249 B10R0.55 CCC(=O)CCCN=C(N)N 1458a_100000034108_100000210202 [0,0,0,0,0,1|3,0,0]=4 1250 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,0,0,0,0,1|2,0,0]=3 1251 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,0,0,0,0,1|2,0,0]=3 1252 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,0,0,0,0,1|2,1,0]=4 1253 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,0,0,0,0,1|2,0,0]=3 1254 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,0,0,0,0,1|2,0,0]=3 1255 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,0,0,0,0,1|2,0,0]=3 1256 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [0,0,0,0,0,1|2,0,0]=3 1257 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,0,0,0,0,1|2,0,0]=3 1258 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,0,0,0,0,1|2,0,0]=3 1259 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,0,0,0,0,1|2,0,0]=3 1260 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,0,0,0,0,1|2,0,1]=4 1261 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,0,0,0,0,1|3,0,0]=4 1262 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,0,0,0,0,1|2,0,0]=3 1263 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,0,0,0,0,1|2,0,0]=3 1264 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,0,0,0,0,1|2,0,0]=3 1265 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,0,0,0,0,1|2,0,0]=3 1266 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,0,0,0,0,1|2,0,1]=4 1267 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,0,0,0,0,1|2,0,1]=4 1268 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,0,0,0,0,1|3,0,0]=4 1269 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,0,0,0,0,1|3,0,0]=4 1270 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,0,0,0,0,1|2,0,0]=3 1271 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,0,0,0,0,1|2,0,0]=3 1272 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,0,0,0,0,1|3,0,0]=4 1273 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,0,0,0,0,1|3,0,0]=4 1274 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,0,0,0,0,1|3,0,0]=4 1275 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,0,0,0,0,1|3,0,0]=4 1276 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,0,0,0,0,1|3,0,0]=4 1277 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,0,0,0,0,1|3,0,0]=4 1278 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,0,0,0,0,1|3,0,0]=4 1279 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,0,0,0,0,1|3,0,0]=4 1280 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,0,0,0,0,1|3,0,0]=4 1281 B10R0.55 CCC(=O)NCCNC(=O)N 240690a_100020590234_100000210414 [0,0,0,0,0,1|3,0,0]=4 1282 B10R0.55 CCC(=O)NCCNC(=O)N 527a_100020590234_100000210414 [0,0,0,0,0,1|3,0,0]=4 1283 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,0,0,0,0,1|3,0,0]=4 1284 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,0,0,0,0,1|3,0,0]=4 1285 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,0,0,0,0,1|3,0,0]=4 1286 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,0,0,0,0,1|3,0,0]=4 1287 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,0,0,0,0,1|3,0,0]=4 1288 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,0,0,0,0,1|3,0,0]=4 1289 B10R0.55 CNC(=O)CCCN=C(N)N 240690a_100102657272_100000034108 [0,0,0,0,0,1|3,0,0]=4 1290 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,0,0,0,0,1|2,0,0]=3 1291 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,0,0,0,0,1|2,0,0]=3 1292 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,0,0,0,0,1|2,0,0]=3 1293 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,0,0,0,0,1|2,0,0]=3 1294 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,0,0,0,0,1|2,0,0]=3 1295 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,0,0,0,0,1|2,0,0]=3 1296 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,0,0,0,0,1|2,0,0]=3 1297 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000711301_100000737683 [0,0,0,0,0,1|2,0,0]=3 1298 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000738227_100000747473 [0,0,0,0,0,1|2,0,0]=3 1299 B10R0.55 CNC(=O)CCNCC(=O)N 34a_100000738227_100000187820 [0,0,0,0,0,1|2,0,0]=3 1300 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,0,0,0,0,1|1,0,0]=2 1301 B10R0.55 CNC(=O)CCNCC(=O)[O-] 34a_100000738227_100020667443 [0,0,0,0,0,1|1,0,1]=3 1302 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,0,0,0,0,1|2,0,1]=4 1303 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,0,0,0,0,1|2,0,1]=4 1304 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,0,0,0,0,1|2,0,1]=4 1305 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,0,0,0,0,1|2,0,1]=4 1306 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,0,0,0,0,1|2,0,1]=4 1307 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,0,0,0,0,1|2,0,1]=4 1308 B10R0.55 CNC(=O)CCNC[N+](=O)[O-] 34a_100000738227_100000761209 [0,0,0,0,0,1|2,0,1]=4 1309 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,0,0,0,0,1|2,0,0]=3 1310 B10R0.55 CNC(=O)CCOCC(=O)N 34a_100000754576_100000187820 [0,0,0,0,0,1|2,0,0]=3 1311 B10R0.55 CNC(=O)CCOCC(=O)[O-] 34a_100000754576_100020667443 [0,0,0,0,0,1|1,0,1]=3 1312 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,0,0,0,0,1|2,0,1]=4 1313 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,0,0,0,0,1|2,0,1]=4 1314 B10R0.55 CNC(=O)CCOC[N+](=O)[O-] 34a_100000754576_100000761209 [0,0,0,0,0,1|2,0,1]=4 1315 B10R0.55 CNC(=O)CCSCC(=O)N 11a_106832991635_100000148550 [0,0,0,0,0,1|2,0,0]=3 1316 B10R0.55 CNC(=O)CCSCC(=O)N 240690a_100102657272_100000148550 [0,0,0,0,0,1|2,0,0]=3 1317 B10R0.55 CNC(=O)CCSCC(=O)N 527a_100102657272_100000148550 [0,0,0,0,0,1|2,0,0]=3 1318 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000737683_100000747473 [0,0,0,0,0,1|2,0,0]=3 1319 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000747473_100000737683 [0,0,0,0,0,1|2,0,0]=3 1320 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100000737683_100020667443 [0,0,0,0,0,1|1,0,1]=3 1321 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737683 [0,0,0,0,0,1|1,0,1]=3 1322 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,0,0,0,0,1|2,0,1]=4 1323 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,0,0,0,0,1|2,0,1]=4 1324 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,0,0,0,0,1|2,0,1]=4 1325 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,0,0,0,0,1|2,0,1]=4 1326 B10R0.55 CNC(=O)CCSC[N+](=O)[O-] 62a_100000737683_100000761209 [0,0,0,0,0,1|2,0,1]=4 1327 B10R0.55 CNC(=O)CNCCC(=O)N 2230a_100000693194_100000744528 [0,0,0,0,0,1|2,0,0]=3 1328 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,0,0,0,0,1|2,0,1]=4 1329 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,0,0,0,0,1|2,0,1]=4 1330 B10R0.55 CNC(=O)CNOCC(=O)O 269956a_100000106656_100000183359 [0,0,0,0,0,1|2,0,0]=3 1331 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,0,0,0,0,1|2,0,0]=3 1332 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,0,0,0,0,1|2,0,0]=3 1333 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000750040_100000731001 [0,0,0,0,0,1|2,0,0]=3 1334 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000757172_100000183359 [0,0,0,0,0,1|2,0,0]=3 1335 B10R0.55 CNC(=O)COCCC(=O)N 7a_100000757172_100000183359 [0,0,0,0,0,1|2,0,0]=3 1336 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,0,0,0,0,1|2,0,1]=4 1337 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [0,0,0,0,0,1|3,0,0]=4 1338 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,0,0,0,0,1|2,0,0]=3 1339 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,0,0,0,0,1|2,0,0]=3 1340 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000183359_100000744528 [0,0,0,0,0,1|2,0,0]=3 1341 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000744528_100000183359 [0,0,0,0,0,1|2,0,0]=3 1342 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,0,0,0,0,1|2,0,1]=4 1343 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,0,0,0,0,1|2,0,1]=4 1344 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [0,0,0,0,0,1|3,0,0]=4 1345 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [0,0,0,0,0,1|3,0,0]=4 1346 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100000739312_100102657272 [0,0,0,0,0,1|2,0,0]=3 1347 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100102657272_100000739312 [0,0,0,0,0,1|2,0,0]=3 1348 B10R0.55 CNC(=O)NCCCC(=O)N 512a_100000739312_100102657272 [0,0,0,0,0,1|2,0,0]=3 1349 B10R0.55 CNC(=O)NCCCC(=O)N 512a_106832991638_100000739312 [0,0,0,0,0,1|2,0,0]=3 1350 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [0,0,0,0,0,1|3,0,0]=4 1351 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [0,0,0,0,0,1|3,0,0]=4 1352 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [0,0,0,0,0,1|3,0,0]=4 1353 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [0,0,0,0,0,1|3,0,0]=4 1354 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [0,0,0,0,0,1|3,0,0]=4 1355 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [0,0,0,0,0,1|3,0,0]=4 1356 B10R0.55 CNC(=O)NCCNC(=O)C 11a_100015205895_100015343762 [0,0,0,0,0,1|3,0,0]=4 1357 B10R0.55 CNC(=O)NCCNC(=O)C 240690a_100015205895_100015343762 [0,0,0,0,0,1|3,0,0]=4 1358 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100000209853_106832991635 [0,0,0,0,0,1|3,0,0]=4 1359 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100102657272_100000209853 [0,0,0,0,0,1|3,0,0]=4 1360 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100000209853_100102657272 [0,0,0,0,0,1|3,0,0]=4 1361 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100102657272_100000209853 [0,0,0,0,0,1|3,0,0]=4 1362 B10R0.55 CNC(=O)NCCNC(=O)C 512a_100000209853_100102657272 [0,0,0,0,0,1|3,0,0]=4 1363 B10R0.55 CNC(=O)NCCNC(=O)C 512a_106832991638_100000209853 [0,0,0,0,0,1|3,0,0]=4 1364 B10R0.55 CNC(=O)NCCNC(=O)C 527a_100015205895_100103153847 [0,0,0,0,0,1|3,0,0]=4 1365 B10R0.55 CNC(=O)NCCNC(=O)N 2708a_100102657272_100020590234 [0,0,0,0,0,1|3,0,0]=4 1366 B10R0.55 CNC(=O)NCCNC(=O)N 273464a_100020590234_100102657272 [0,0,0,0,0,1|3,0,0]=4 1367 B10R0.55 CNC(=O)NCCNC(=O)N 273464a_100102657272_100020590234 [0,0,0,0,0,1|3,0,0]=4 1368 B10R0.55 CNC(=O)NCCNC(=O)N 512a_100020590234_100102657272 [0,0,0,0,0,1|3,0,0]=4 1369 B10R0.55 CNC(=O)NCCNC(=O)N 512a_106832991638_100020590234 [0,0,0,0,0,1|3,0,0]=4 1370 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [0,0,0,0,0,1|3,0,0]=4 1371 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [0,0,0,0,0,1|3,0,0]=4 1372 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [0,0,0,0,0,1|3,0,0]=4 1373 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [0,0,0,0,0,1|3,0,0]=4 1374 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [0,0,0,0,0,1|3,0,0]=4 1375 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100020647217_106832991635 [0,0,0,0,0,1|3,0,0]=4 1376 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100102657272_100020647217 [0,0,0,0,0,1|3,0,0]=4 1377 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100020647217_100102657272 [0,0,0,0,0,1|3,0,0]=4 1378 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100102657272_100020647217 [0,0,0,0,0,1|3,0,0]=4 1379 B10R0.55 CNC(=O)NCCSC(=O)C 512a_100020647217_100102657272 [0,0,0,0,0,1|3,0,0]=4 1380 B10R0.55 CNC(=O)NCCSC(=O)C 512a_106832991638_100020647217 [0,0,0,0,0,1|3,0,0]=4 1381 B10R0.55 COC(=O)CC=NNC(=O)C 4a_100000189765_200011552997 [0,0,0,0,0,1|2,0,1]=4 1382 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,0,0,0,0,1|1,0,0]=2 1383 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,0,0,0,0,1|1,0,0]=2 1384 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,0,0,0,0,1|1,0,0]=2 1385 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,0,0,0,0,1|3,0,0]=4 1386 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,0,0,0,0,1|3,0,0]=4 1387 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,0,0,0,0,1|1,0,0]=2 1388 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,0,0,0,0,1|2,0,1]=4 1389 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,0,0,0,0,1|2,0,1]=4 1390 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,0,0,0,0,1|2,0,1]=4 1391 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,0,0,0,0,1|2,0,1]=4 1392 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,0,0,0,0,1|2,0,1]=4 1393 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [0,0,0,0,0,1|1,0,0]=2 1394 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,0,0,0,0,1|0,0,0]=1 1395 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,0,0,0,0,1|2,0,1]=4 1396 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,0,0,0,0,1|2,0,1]=4 1397 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,0,0,0,0,1|1,0,1]=3 1398 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,0,0,0,0,1|1,0,1]=3 1399 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [0,0,0,0,0,1|2,0,1]=4 1400 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,0,0,0,0,1|1,0,0]=2 1401 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,0,0,0,0,1|2,0,1]=4 1402 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,0,0,0,0,1|2,0,1]=4 1403 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,0,0,0,0,1|2,0,1]=4 1404 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [0,0,0,0,0,1|2,0,1]=4 1405 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,0,0,0,0,1|2,0,1]=4 1406 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,0,0,0,0,1|2,0,1]=4 1407 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [0,0,0,0,0,1|1,0,0]=2 1408 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [0,0,0,0,0,1|1,0,0]=2 1409 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [0,0,0,0,0,1|0,0,1]=2 1410 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [0,0,0,0,0,1|0,0,1]=2 1411 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,0,0,0,0,1|2,0,1]=4 1412 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,0,0,0,0,1|2,0,1]=4 1413 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,0,0,0,0,1|1,0,1]=3 1414 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,0,0,0,0,1|1,0,1]=3 1415 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [0,0,0,0,0,1|2,0,1]=4 1416 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [0,0,0,0,0,1|2,0,1]=4 1417 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,0,0,0,0,1|1,0,1]=3 1418 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,0,0,0,0,1|1,0,1]=3 1419 B10R0.55 COC(=O)CCSC[N+](=O)[O-] 62a_100000204255_100000761209 [0,0,0,0,0,1|1,0,1]=3 1420 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,0,0,0,0,1|2,0,1]=4 1421 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,0,0,0,0,1|1,0,1]=3 1422 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [0,0,0,0,0,1|1,0,0]=2 1423 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,0,0,0,0,1|2,0,1]=4 1424 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,0,0,0,0,1|1,0,0]=2 1425 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,0,0,0,0,1|1,0,0]=2 1426 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,0,0,0,0,1|1,0,0]=2 1427 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [0,0,0,0,0,1|1,0,0]=2 1428 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [0,0,0,0,0,1|1,0,0]=2 1429 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,0,0,0,0,1|2,0,1]=4 1430 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,0,0,0,0,1|2,0,1]=4 1431 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,0,0,0,0,1|2,0,1]=4 1432 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,0,0,0,0,1|2,0,1]=4 1433 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,0,0,0,0,1|3,0,0]=4 1434 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,0,0,0,0,1|2,0,1]=4 1435 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,0,0,0,0,1|2,0,1]=4 1436 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,0,0,0,0,1|2,0,1]=4 1437 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,0,0,0,0,1|1,0,0]=2 1438 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,0,0,0,0,1|1,0,0]=2 1439 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [0,0,0,0,0,1|1,0,0]=2 1440 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [0,0,0,0,0,1|1,0,0]=2 1441 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,0,0,0,0,1|2,0,1]=4 1442 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,0,0,0,0,1|2,0,1]=4 1443 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,0,0,0,0,1|1,0,1]=3 1444 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,0,0,0,0,1|1,0,1]=3 1445 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,0,0,0,0,1|3,0,0]=4 1446 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,0,0,0,0,1|2,0,0]=3 1447 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,0,0,0,0,1|2,0,0]=3 1448 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,0,0,0,0,1|1,0,0]=2 1449 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,0,0,0,0,1|1,0,0]=2 1450 B10R0.55 COC(=O)OCSCC(=O)N 62a_100000747473_100000139417 [0,0,0,0,0,1|2,0,0]=3 1451 B10R0.55 COC(=O)OCSCC(=O)[O-] 62a_100020667443_100000139417 [0,0,0,0,0,1|1,0,1]=3 1452 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,0,0,0,0,1|2,0,1]=4 1453 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,0,0,0,0,1|2,0,1]=4 1454 B10R0.55 COC(C)CCOCC(=O)N 7a_100000764861_100000187820 [0,0,0,0,0,1|2,0,1]=4 1455 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [0,0,0,0,0,1|2,0,1]=4 1456 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,0,0,0,0,1|2,0,1]=4 1457 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,0,0,0,0,1|2,0,1]=4 1458 B10R0.55 COC(C)SCCCC(=O)N 62a_100009879195_100102525003 [0,0,0,0,0,1|2,0,1]=4 1459 B10R0.55 COC(C)SCCCC(=O)N 62a_100102525003_100009879195 [0,0,0,0,0,1|2,0,1]=4 1460 B10R0.55 CO[C@H](C)CNCCC(=O)N 2230a_100020591295_100000744528 [0,0,0,0,0,1|2,0,1]=4 1461 B10R0.55 NC(=O)CCCNC(=O)CO 240690a_100000739312_100000210174 [0,0,0,0,0,1|3,0,0]=4 1462 B10R0.55 NC(=O)CCCNC(=O)CO 527a_100000739312_100000210174 [0,0,0,0,0,1|3,0,0]=4 1463 B10R0.55 NC(=O)COCCC(=O)CO 1458a_100000210174_100000076697 [0,0,0,0,0,1|3,0,0]=4 1464 B10R0.55 NC(=O)CSCCC(=O)CF 1458a_100000148550_100015361967 [0,0,0,0,0,1|3,0,0]=4 1465 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [2,0,0,0,0,0|2,0,0]=4 1466 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [2,0,0,0,0,0|2,0,0]=4 1467 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [2,0,0,0,0,0|2,0,0]=4 1468 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 1469 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|1,0,1]=4 1470 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 1471 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 1472 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 1473 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [2,0,0,0,0,0|2,0,0]=4 1474 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [2,0,0,0,0,0|2,0,0]=4 1475 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|2,0,0]=4 1476 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|2,0,0]=4 1477 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|2,0,0]=4 1478 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 1479 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 1480 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|0,0,2]=4 1481 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [2,0,0,0,0,0|1,0,1]=4 1482 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [2,0,0,0,0,0|1,0,1]=4 1483 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [2,0,0,0,0,0|1,0,1]=4 1484 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [2,0,0,0,0,0|1,0,1]=4 1485 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|0,1,1]=4 1486 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|0,1,1]=4 1487 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|0,1,1]=4 1488 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|0,1,1]=4 1489 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [2,0,0,0,0,0|1,0,1]=4 1490 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [2,0,0,0,0,0|1,0,1]=4 1491 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|1,0,1]=4 1492 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|1,0,1]=4 1493 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [2,0,0,0,0,0|1,0,1]=4 1494 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [2,0,0,0,0,0|1,0,1]=4 1495 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [2,0,0,0,0,0|1,0,1]=4 1496 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [2,0,0,0,0,0|1,0,1]=4 1497 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|2,0,0]=4 1498 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,0]=3 1499 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 1500 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 1501 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|1,0,1]=4 1502 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|1,0,1]=4 1503 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,1]=4 1504 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 1505 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 1506 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 1507 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|1,0,1]=4 1508 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|1,0,1]=4 1509 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|1,0,1]=4 1510 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|1,0,1]=4 1511 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [2,0,0,0,0,0|2,0,0]=4 1512 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [2,0,0,0,0,0|2,0,0]=4 1513 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [2,0,0,0,0,0|2,0,0]=4 1514 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [2,0,0,0,0,0|2,0,0]=4 1515 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|1,0,1]=4 1516 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|1,0,1]=4 1517 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|1,0,1]=4 1518 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|1,0,1]=4 1519 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|1,0,1]=4 1520 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|1,0,1]=4 1521 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|1,0,1]=4 1522 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [2,0,0,0,0,0|2,0,0]=4 1523 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [2,0,0,0,0,0|2,0,0]=4 1524 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|1,0,1]=4 1525 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|2,0,0]=4 1526 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [2,0,0,0,0,0|1,0,1]=4 1527 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [2,0,0,0,0,0|1,0,1]=4 1528 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [2,0,0,0,0,0|1,0,1]=4 1529 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [2,0,0,0,0,0|2,0,0]=4 1530 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [2,0,0,0,0,0|2,0,0]=4 1531 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [2,0,0,0,0,0|2,0,0]=4 1532 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|1,0,0]=3 1533 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|1,0,0]=3 1534 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|1,0,0]=3 1535 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [2,0,0,0,0,0|2,0,0]=4 1536 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [2,0,0,0,0,0|2,0,0]=4 1537 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [2,0,0,0,0,0|2,0,0]=4 1538 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [2,0,0,0,0,0|2,0,0]=4 1539 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|1,0,1]=4 1540 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [2,0,0,0,0,0|2,0,0]=4 1541 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [2,0,0,0,0,0|2,0,0]=4 1542 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [2,0,0,0,0,0|2,0,0]=4 1543 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [2,0,0,0,0,0|2,0,0]=4 1544 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [2,0,0,0,0,0|1,0,1]=4 1545 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [2,0,0,0,0,0|1,0,1]=4 1546 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,1]=4 1547 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|0,0,1]=3 1548 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|0,0,1]=3 1549 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 1550 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 1551 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,1,0]=4 1552 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,1,0]=4 1553 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|1,0,0]=3 1554 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [2,0,0,0,0,0|1,0,1]=4 1555 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [2,0,0,0,0,0|1,0,1]=4 1556 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|1,0,1]=4 1557 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|1,0,1]=4 1558 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|2,0,0]=4 1559 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,1]=4 1560 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,1]=4 1561 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,1]=4 1562 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,1]=4 1563 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [2,0,0,0,0,0|2,0,0]=4 1564 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [2,0,0,0,0,0|2,0,0]=4 1565 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|2,0,0]=4 1566 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|2,0,0]=4 1567 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 1568 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 1569 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 1570 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,0,0]=3 1571 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,0,0]=3 1572 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 1573 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,0,0]=3 1574 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 1575 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|1,0,0]=3 1576 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,0,0]=3 1577 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [2,0,0,0,0,0|1,0,1]=4 1578 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [2,0,0,0,0,0|1,0,1]=4 1579 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 1580 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 1581 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|2,0,0]=4 1582 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|2,0,0]=4 1583 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [2,0,0,0,0,0|2,0,0]=4 1584 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|2,0,0]=4 1585 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [2,0,0,0,0,0|2,0,0]=4 1586 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [2,0,0,0,0,0|2,0,0]=4 1587 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [2,0,0,0,0,0|2,0,0]=4 1588 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|1,0,0]=3 1589 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [2,0,0,0,0,0|2,0,0]=4 1590 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [2,0,0,0,0,0|2,0,0]=4 1591 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [2,0,0,0,0,0|1,0,1]=4 1592 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [2,0,0,0,0,0|1,0,1]=4 1593 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,1,0]=4 1594 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,1,0]=4 1595 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,1,0]=4 1596 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|1,1,0]=4 1597 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|1,1,0]=4 1598 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,1,0]=4 1599 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|1,1,0]=4 1600 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [2,0,0,0,0,0|2,0,0]=4 1601 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [2,0,0,0,0,0|2,0,0]=4 1602 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [2,0,0,0,0,0|2,0,0]=4 1603 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|1,0,1]=4 1604 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,0]=3 1605 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [2,0,0,0,0,0|1,0,1]=4 1606 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [2,0,0,0,0,0|1,0,1]=4 1607 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [2,0,0,0,0,0|1,0,1]=4 1608 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|0,0,1]=3 1609 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [2,0,0,0,0,0|1,0,1]=4 1610 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 1611 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [2,0,0,0,0,0|1,0,1]=4 1612 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [2,0,0,0,0,0|2,0,0]=4 1613 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [2,0,0,0,0,0|2,0,0]=4 1614 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|1,1,0]=4 1615 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|1,1,0]=4 1616 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [1,1,0,0,0,0|1,0,1]=4 1617 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [1,1,0,0,0,0|2,0,0]=4 1618 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [1,1,0,0,0,0|2,0,0]=4 1619 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|2,0,0]=4 1620 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|2,0,0]=4 1621 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [1,1,0,0,0,0|2,0,0]=4 1622 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [1,1,0,0,0,0|2,0,0]=4 1623 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [1,1,0,0,0,0|2,0,0]=4 1624 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [1,1,0,0,0,0|1,0,0]=3 1625 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [1,1,0,0,0,0|1,1,0]=4 1626 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,1,0,0,0,0|2,0,0]=4 1627 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,1,0,0,0,0|2,0,0]=4 1628 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,1,0,0,0,0|2,0,0]=4 1629 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [1,1,0,0,0,0|2,0,0]=4 1630 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [1,1,0,0,0,0|2,0,0]=4 1631 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [1,1,0,0,0,0|2,0,0]=4 1632 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [1,1,0,0,0,0|2,0,0]=4 1633 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [1,1,0,0,0,0|2,0,0]=4 1634 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [1,1,0,0,0,0|2,0,0]=4 1635 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [1,1,0,0,0,0|2,0,0]=4 1636 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [1,1,0,0,0,0|2,0,0]=4 1637 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [1,1,0,0,0,0|2,0,0]=4 1638 B9R0.5 C=COC(=O)CSCC=O 62a_100000036128_200015260668 [1,1,0,0,0,0|1,0,1]=4 1639 B9R0.5 C=COC(=O)CSCC=O 62a_200015260668_100000036128 [1,1,0,0,0,0|1,0,1]=4 1640 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [1,1,0,0,0,0|2,0,0]=4 1641 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,1,0,0,0,0|1,0,1]=4 1642 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,1,0,0,0,0|1,0,1]=4 1643 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|1,0,1]=4 1644 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|1,0,1]=4 1645 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,1,0,0,0,0|2,0,0]=4 1646 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,1,0,0,0,0|2,0,0]=4 1647 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,1]=4 1648 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,1]=4 1649 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [1,1,0,0,0,0|2,0,0]=4 1650 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [1,1,0,0,0,0|2,0,0]=4 1651 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [1,1,0,0,0,0|2,0,0]=4 1652 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|2,0,0]=4 1653 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|2,0,0]=4 1654 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|2,0,0]=4 1655 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|2,0,0]=4 1657 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|2,0,0]=4 1658 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|2,0,0]=4 1659 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|2,0,0]=4 1660 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|2,0,0]=4 1661 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|2,0,0]=4 1662 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,1,0,0,0,0|1,0,1]=4 1663 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,1,0,0,0,0|1,0,1]=4 1664 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,1,0,0,0,0|1,0,0]=3 1665 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,1,0,0,0,0|1,0,0]=3 1666 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,1,0,0,0,0|1,0,1]=4 1667 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,1,0,0,0,0|1,0,1]=4 1668 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [1,1,0,0,0,0|1,0,1]=4 1669 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,1,0,0,0,0|1,0,1]=4 1670 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|0,0,1]=3 1671 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,1,0,0,0,0|1,0,1]=4 1672 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,1,0,0,0,0|1,0,1]=4 1673 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,1,0,0,0,0|2,0,0]=4 1674 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|0,1,1]=4 1675 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|1,0,1]=4 1676 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|1,0,1]=4 1677 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|1,0,1]=4 1678 B9R0.5 O=CCSCC(=O)NCO 62a_100000185155_200015260668 [1,1,0,0,0,0|2,0,0]=4 1679 B9R0.5 O=CCSCC(=O)NCO 62a_200015260668_100000185155 [1,1,0,0,0,0|2,0,0]=4 1680 B9R0.8 C=CCNC(C)C(=O)OC 2230a_100020586998_100000211248 [1,1,0,0,0,0|2,0,0]=4 1681 B9R0.8 C=CCOC(C)C(=O)OC 34a_100011215400_100015514636 [1,1,0,0,0,0|2,0,0]=4 1682 B9R0.8 C=CCOC(C)C(=O)OC 34a_200000210373_100000211248 [1,1,0,0,0,0|2,0,0]=4 1683 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000210623_100000211248 [1,1,0,0,0,0|2,0,0]=4 1684 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000211248_100000210623 [1,1,0,0,0,0|2,0,0]=4 1685 B9R0.8 CCC(=O)C(C)SCC=O 62a_100000742827_200015260668 [1,1,0,0,0,0|2,0,0]=4 1686 B9R0.8 CCC(=O)C(C)SCC=O 62a_200015260668_100000742827 [1,1,0,0,0,0|2,0,0]=4 1687 B9R0.8 CNC(=O)C(C)SCC=O 62a_100000209862_200015260668 [1,1,0,0,0,0|2,0,0]=4 1688 B9R0.8 CNC(=O)C(C)SCC=O 62a_200015260668_100000731044 [1,1,0,0,0,0|2,0,0]=4 1689 B9R0.8 CNC(=O)C(F)SCC=O 62a_100009813575_200015260668 [1,1,0,0,0,0|2,0,0]=4 1690 B9R0.8 CNC(=O)C(F)SCC=O 62a_200015260668_100009813575 [1,1,0,0,0,0|2,0,0]=4 1691 B9R0.8 CNC(=O)[C@@H](C)NCC=O 2230a_100000684985_200015260668 [1,1,0,0,0,0|2,0,0]=4 1692 B9R0.8 CNC(=O)[C@@H](C)NCC=O 34a_100000684985_200009817547 [1,1,0,0,0,0|2,0,0]=4 1693 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 1694 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [1,1,0,0,0,0|2,0,0]=4 1695 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1697 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [1,1,0,0,0,0|2,0,0]=4 1698 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1699 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [1,1,0,0,0,0|2,0,0]=4 1700 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [1,1,0,0,0,0|1,0,1]=4 1701 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [1,1,0,0,0,0|1,0,1]=4 1702 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [1,1,0,0,0,0|1,0,0]=3 1703 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [1,1,0,0,0,0|1,0,1]=4 1704 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [1,1,0,0,0,0|1,0,0]=3 1705 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [1,1,0,0,0,0|1,0,0]=3 1706 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [1,1,0,0,0,0|1,0,1]=4 1707 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [1,1,0,0,0,0|1,0,1]=4 1708 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [1,1,0,0,0,0|2,0,0]=4 1709 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [1,1,0,0,0,0|2,0,0]=4 1710 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [1,1,0,0,0,0|2,0,0]=4 1711 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [1,1,0,0,0,0|1,0,1]=4 1712 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [1,1,0,0,0,0|1,0,1]=4 1713 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [1,1,0,0,0,0|1,0,1]=4 1714 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [1,1,0,0,0,0|1,0,1]=4 1715 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [1,1,0,0,0,0|1,0,1]=4 1716 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [1,1,0,0,0,0|1,0,1]=4 1717 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [1,1,0,0,0,0|2,0,0]=4 1718 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [1,1,0,0,0,0|2,0,0]=4 1719 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [1,1,0,0,0,0|2,0,0]=4 1720 B9R0.34 CNC(=O)CN(C)CC=O 2230a_100000189611_200015260668 [1,1,0,0,0,0|2,0,0]=4 1721 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [1,1,0,0,0,0|2,0,0]=4 1722 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [1,1,0,0,0,0|2,0,0]=4 1723 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [1,1,0,0,0,0|0,0,2]=4 1724 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [1,1,0,0,0,0|0,0,2]=4 1725 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [1,1,0,0,0,0|1,0,0]=3 1726 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [1,1,0,0,0,0|1,0,1]=4 1727 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [1,1,0,0,0,0|1,0,1]=4 1728 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [1,1,0,0,0,0|1,0,1]=4 1729 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [1,1,0,0,0,0|2,0,0]=4 1730 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [1,1,0,0,0,0|2,0,0]=4 1731 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [1,1,0,0,0,0|2,0,0]=4 1732 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [1,1,0,0,0,0|2,0,0]=4 1733 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [1,1,0,0,0,0|2,0,0]=4 1734 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [1,1,0,0,0,0|1,0,1]=4 1735 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [1,1,0,0,0,0|1,0,1]=4 1736 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [1,1,0,0,0,0|1,0,1]=4 1737 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [1,1,0,0,0,0|1,0,1]=4 1738 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [1,1,0,0,0,0|1,0,1]=4 1739 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [1,1,0,0,0,0|1,0,1]=4 1740 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [1,1,0,0,0,0|1,0,1]=4 1741 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [1,1,0,0,0,0|1,0,1]=4 1742 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [1,1,0,0,0,0|1,0,1]=4 1743 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [1,1,0,0,0,0|1,0,1]=4 1744 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|2,0,0]=4 1745 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|2,0,0]=4 1746 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [1,1,0,0,0,0|2,0,0]=4 1747 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [1,1,0,0,0,0|2,0,0]=4 1748 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [1,1,0,0,0,0|2,0,0]=4 1749 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [1,1,0,0,0,0|2,0,0]=4 1750 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [1,1,0,0,0,0|2,0,0]=4 1751 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [1,1,0,0,0,0|2,0,0]=4 1752 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [1,1,0,0,0,0|2,0,0]=4 1753 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [1,1,0,0,0,0|2,0,0]=4 1754 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [1,1,0,0,0,0|2,0,0]=4 1755 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [1,1,0,0,0,0|2,0,0]=4 1756 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [1,1,0,0,0,0|2,0,0]=4 1757 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [1,1,0,0,0,0|2,0,0]=4 1758 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [1,1,0,0,0,0|2,0,0]=4 1759 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [1,1,0,0,0,0|2,0,0]=4 1760 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [1,1,0,0,0,0|2,0,0]=4 1761 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [1,1,0,0,0,0|2,0,0]=4 1762 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [1,1,0,0,0,0|1,0,0]=3 1763 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [1,1,0,0,0,0|2,0,0]=4 1764 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [1,1,0,0,0,0|2,0,0]=4 1765 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [1,1,0,0,0,0|2,0,0]=4 1766 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [1,1,0,0,0,0|1,0,0]=3 1767 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [1,1,0,0,0,0|2,0,0]=4 1768 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [1,1,0,0,0,0|2,0,0]=4 1769 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [1,1,0,0,0,0|2,0,0]=4 1770 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [1,1,0,0,0,0|2,0,0]=4 1771 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [1,1,0,0,0,0|1,0,0]=3 1772 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [1,1,0,0,0,0|1,0,0]=3 1773 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [1,1,0,0,0,0|2,0,0]=4 1774 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [1,1,0,0,0,0|2,0,0]=4 1775 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [1,1,0,0,0,0|2,0,0]=4 1776 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [1,1,0,0,0,0|1,0,0]=3 1777 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [1,1,0,0,0,0|2,0,0]=4 1778 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [1,1,0,0,0,0|2,0,0]=4 1779 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [1,1,0,0,0,0|2,0,0]=4 1780 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [1,1,0,0,0,0|2,0,0]=4 1781 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [1,1,0,0,0,0|2,0,0]=4 1782 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [1,1,0,0,0,0|2,0,0]=4 1783 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [1,1,0,0,0,0|2,0,0]=4 1784 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [1,1,0,0,0,0|1,0,0]=3 1785 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [1,1,0,0,0,0|2,0,0]=4 1786 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [1,1,0,0,0,0|2,0,0]=4 1787 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [1,1,0,0,0,0|1,0,0]=3 1788 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [1,1,0,0,0,0|1,0,0]=3 1789 B9R0.46 C=CCSCOC(=O)OC 62a_100000210623_100000139417 [1,1,0,0,0,0|2,0,0]=4 1790 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [1,1,0,0,0,0|1,0,1]=4 1791 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [1,1,0,0,0,0|1,0,1]=4 1792 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|1,0,1]=4 1793 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|1,0,1]=4 1794 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,1,0,0,0,0|1,0,1]=4 1795 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,1,0,0,0,0|1,0,1]=4 1796 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,1,0,0,0,0|1,0,1]=4 1797 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,1,0,0,0,0|1,0,1]=4 1798 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,1,0,0,0,0|1,0,1]=4 1799 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,1,0,0,0,0|1,0,1]=4 1800 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,1,0,0,0,0|1,0,1]=4 1801 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,1,0,0,0,0|1,0,1]=4 1802 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [1,1,0,0,0,0|1,0,1]=4 1803 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [1,1,0,0,0,0|1,0,1]=4 1804 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,1,0,0,0,0|1,0,1]=4 1805 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,1,0,0,0,0|1,0,1]=4 1806 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [1,1,0,0,0,0|1,0,1]=4 1807 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [1,1,0,0,0,0|1,0,1]=4 1808 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,1,0,0,0,0|1,0,1]=4 1809 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,1,0,0,0,0|1,0,1]=4 1810 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,1,0,0,0,0|1,0,1]=4 1811 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,1,0,0,0,0|1,0,1]=4 1812 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,1,0,0,0,0|1,0,1]=4 1813 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,1,0,0,0,0|1,0,1]=4 1814 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,1,0,0,0,0|1,0,1]=4 1815 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,1,0,0,0,0|1,0,1]=4 1816 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [1,1,0,0,0,0|1,0,0]=3 1817 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [1,1,0,0,0,0|1,0,0]=3 1818 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [1,1,0,0,0,0|1,0,1]=4 1819 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [1,1,0,0,0,0|1,0,1]=4 1820 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [1,1,0,0,0,0|1,0,1]=4 1821 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [1,1,0,0,0,0|1,0,1]=4 1822 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [1,1,0,0,0,0|1,0,0]=3 1823 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [1,1,0,0,0,0|1,0,1]=4 1824 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [1,1,0,0,0,0|1,0,1]=4 1825 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [1,1,0,0,0,0|1,0,1]=4 1826 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [1,1,0,0,0,0|1,0,0]=3 1827 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [1,1,0,0,0,0|1,0,0]=3 1828 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [1,1,0,0,0,0|1,0,1]=4 1829 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [1,1,0,0,0,0|1,0,1]=4 1830 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [1,1,0,0,0,0|1,0,1]=4 1831 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [1,1,0,0,0,0|1,0,1]=4 1832 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [1,1,0,0,0,0|1,0,1]=4 1833 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [1,1,0,0,0,0|1,0,1]=4 1834 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,1,0,0,0,0|1,0,1]=4 1835 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,1,0,0,0,0|1,0,1]=4 1836 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,1,0,0,0,0|1,0,1]=4 1837 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,1,0,0,0,0|1,0,1]=4 1838 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,1,0,0,0,0|1,0,1]=4 1839 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,1,0,0,0,0|1,0,1]=4 1840 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,1,0,0,0,0|1,0,1]=4 1841 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,1,0,0,0,0|1,0,1]=4 1842 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,1,0,0,0,0|1,0,1]=4 1843 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [1,1,0,0,0,0|2,0,0]=4 1844 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [1,1,0,0,0,0|2,0,0]=4 1845 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [1,1,0,0,0,0|2,0,0]=4 1846 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,1,0,0,0,0|0,0,1]=3 1847 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,1,0,0,0,0|0,0,1]=3 1848 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,1,0,0,0,0|0,1,1]=4 1849 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,1,0,0,0,0|0,1,1]=4 1850 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,1,0,0,0,0|0,1,1]=4 1851 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,1,0,0,0,0|0,1,1]=4 1852 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [1,1,0,0,0,0|1,0,1]=4 1853 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [1,1,0,0,0,0|1,0,1]=4 1854 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [1,1,0,0,0,0|1,0,1]=4 1855 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [1,1,0,0,0,0|0,0,1]=3 1856 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [1,1,0,0,0,0|0,0,1]=3 1857 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [1,1,0,0,0,0|1,0,1]=4 1858 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [1,1,0,0,0,0|1,0,1]=4 1859 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [1,1,0,0,0,0|1,0,1]=4 1860 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [1,1,0,0,0,0|1,0,1]=4 1861 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [1,1,0,0,0,0|0,0,0]=2 1862 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [1,1,0,0,0,0|0,0,0]=2 1863 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [1,1,0,0,0,0|1,0,1]=4 1864 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [1,1,0,0,0,0|1,0,1]=4 1865 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [1,1,0,0,0,0|0,0,1]=3 1866 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [1,1,0,0,0,0|0,0,1]=3 1867 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [1,1,0,0,0,0|2,0,0]=4 1868 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [1,1,0,0,0,0|2,0,0]=4 1869 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [1,1,0,0,0,0|1,0,1]=4 1870 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [1,1,0,0,0,0|1,0,1]=4 1871 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [1,1,0,0,0,0|2,0,0]=4 1872 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [1,1,0,0,0,0|1,0,1]=4 1873 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [1,1,0,0,0,0|1,0,1]=4 1874 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [1,1,0,0,0,0|1,0,1]=4 1875 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [1,1,0,0,0,0|1,0,1]=4 1876 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [1,1,0,0,0,0|1,0,1]=4 1877 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [1,1,0,0,0,0|2,0,0]=4 1878 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [1,1,0,0,0,0|2,0,0]=4 1879 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [1,1,0,0,0,0|2,0,0]=4 1880 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [1,1,0,0,0,0|2,0,0]=4 1881 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [1,1,0,0,0,0|2,0,0]=4 1882 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [1,1,0,0,0,0|2,0,0]=4 1883 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [1,1,0,0,0,0|1,0,1]=4 1884 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [1,1,0,0,0,0|1,0,1]=4 1885 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [1,1,0,0,0,0|1,0,1]=4 1886 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [1,1,0,0,0,0|1,0,1]=4 1887 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [1,1,0,0,0,0|0,0,1]=3 1888 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [1,1,0,0,0,0|0,0,1]=3 1889 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [1,1,0,0,0,0|2,0,0]=4 1890 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [1,1,0,0,0,0|2,0,0]=4 1891 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [1,1,0,0,0,0|1,0,0]=3 1892 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [1,1,0,0,0,0|1,0,1]=4 1893 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [1,1,0,0,0,0|1,0,1]=4 1894 B9R0.46 COC(C)SCCCC=O 62a_100009879195_200011292268 [1,1,0,0,0,0|1,0,1]=4 1895 B9R0.46 COC(C)SCCCC=O 62a_200011292268_100009879195 [1,1,0,0,0,0|1,0,1]=4 1896 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,1,0,0,0,0|0,0,1]=3 1897 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,1,0,0,0,0|0,0,1]=3 1898 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,1,0,0,0,0|0,0,1]=3 1899 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [1,1,0,0,0,0|1,0,1]=4 1900 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [1,1,0,0,0,0|1,0,1]=4 1901 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [1,1,0,0,0,0|1,0,1]=4 1902 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [1,1,0,0,0,0|1,0,1]=4 1903 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [1,1,0,0,0,0|1,0,1]=4 1904 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [1,1,0,0,0,0|1,0,1]=4 1905 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [1,1,0,0,0,0|1,0,1]=4 1906 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [1,1,0,0,0,0|1,0,1]=4 1907 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [1,1,0,0,0,0|2,0,0]=4 1908 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [1,1,0,0,0,0|2,0,0]=4 1909 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [1,1,0,0,0,0|2,0,0]=4 1910 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [1,1,0,0,0,0|2,0,0]=4 1911 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [1,1,0,0,0,0|2,0,0]=4 1912 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [1,1,0,0,0,0|2,0,0]=4 1913 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [1,1,0,0,0,0|2,0,0]=4 1914 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [1,1,0,0,0,0|2,0,0]=4 1915 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [1,1,0,0,0,0|2,0,0]=4 1916 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [1,1,0,0,0,0|2,0,0]=4 1917 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [1,1,0,0,0,0|2,0,0]=4 1918 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [1,1,0,0,0,0|2,0,0]=4 1919 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [1,1,0,0,0,0|1,0,1]=4 1920 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [1,1,0,0,0,0|1,0,1]=4 1921 B9R0.47 CC(C)C(=O)CSCC=O 62a_100000753385_200015260668 [1,1,0,0,0,0|2,0,0]=4 1922 B9R0.47 CC(C)C(=O)CSCC=O 62a_200015260668_100000753385 [1,1,0,0,0,0|2,0,0]=4 1923 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [1,1,0,0,0,0|1,0,1]=4 1924 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [1,1,0,0,0,0|1,0,1]=4 1925 B9R0.47 CN(C)C(=O)CNCC=O 2230a_100015183351_200015260668 [1,1,0,0,0,0|2,0,0]=4 1926 B9R0.47 CN(C)C(=O)CSCC=O 62a_100000692301_200015260668 [1,1,0,0,0,0|2,0,0]=4 1927 B9R0.47 CN(C)C(=O)CSCC=O 62a_200015260668_100000692301 [1,1,0,0,0,0|2,0,0]=4 1928 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [1,1,0,0,0,0|1,0,1]=4 1929 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [1,1,0,0,0,0|1,0,1]=4 1930 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [1,1,0,0,0,0|2,0,0]=4 1931 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [1,1,0,0,0,0|1,0,1]=4 1932 B9R0.2 C/C=C/CNOCC(=O)O 269956a_100000106656_100102629194 [1,1,0,0,0,0|2,0,0]=4 1933 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [1,1,0,0,0,0|2,0,0]=4 1934 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [1,1,0,0,0,0|2,0,0]=4 1935 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [1,1,0,0,0,0|2,0,0]=4 1936 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [1,1,0,0,0,0|2,0,0]=4 1937 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [1,1,0,0,0,0|2,0,0]=4 1938 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [1,1,0,0,0,0|2,0,0]=4 1939 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [1,1,0,0,0,0|2,0,0]=4 1940 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [1,1,0,0,0,0|2,0,0]=4 1941 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [1,1,0,0,0,0|2,0,0]=4 1942 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,1,0,0,0,0|1,0,1]=4 1943 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,1,0,0,0,0|1,0,1]=4 1944 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,1,0,0,0,0|1,0,1]=4 1945 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [1,1,0,0,0,0|2,0,0]=4 1946 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [1,1,0,0,0,0|2,0,0]=4 1947 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [1,1,0,0,0,0|2,0,0]=4 1948 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [1,1,0,0,0,0|2,0,0]=4 1949 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [1,1,0,0,0,0|2,0,0]=4 1950 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [1,1,0,0,0,0|2,0,0]=4 1951 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [1,1,0,0,0,0|2,0,0]=4 1952 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [1,1,0,0,0,0|2,0,0]=4 1953 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,1]=4 1954 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,1,0,0,0,0|2,0,0]=4 1955 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|1,0,1]=4 1956 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,1,0,0,0,0|1,0,1]=4 1957 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,1,0,0,0,0|1,0,1]=4 1958 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,1,0,0,0,0|1,0,1]=4 1959 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,1,0,0,0,0|2,0,0]=4 1960 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,1]=4 1961 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,1,0,0,0,0|1,0,1]=4 1962 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,1,0,0,0,0|1,0,1]=4 1963 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,1,0,0,0,0|1,0,1]=4 1964 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,1]=4 1965 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,1,0,0,0,0|0,0,2]=4 1966 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,1,0,0,0,0|1,0,1]=4 1967 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,1,0,0,0,0|1,0,1]=4 1968 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,1,0,0,0,0|1,0,1]=4 1969 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,1,0,0,0,0|1,0,1]=4 1970 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,1,0,0,0,0|1,0,1]=4 1971 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,1,0,0,0,0|1,0,1]=4 1972 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,1,0,0,0,0|0,0,1]=3 1973 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,1,0,0,0,0|0,0,2]=4 1974 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,1,0,0,0,0|1,0,1]=4 1975 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,1,0,0,0,0|1,0,1]=4 1976 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,1,0,0,0,0|0,0,2]=4 1977 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,1,0,0,0,0|1,0,1]=4 1978 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,1,0,0,0,0|1,0,1]=4 1979 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,1,0,0,0,0|0,0,2]=4 1980 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,1,0,0,0,0|0,0,2]=4 1981 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,1,0,0,0,0|1,0,1]=4 1982 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [1,1,0,0,0,0|1,0,1]=4 1983 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,1,0,0,0,0|1,0,1]=4 1984 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,1,0,0,0,0|1,0,1]=4 1985 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,1,0,0,0,0|1,0,1]=4 1986 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,1,0,0,0,0|1,0,1]=4 1987 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,1,0,0,0,0|1,0,1]=4 1988 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,1,0,0,0,0|1,0,1]=4 1989 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,1,0,0,0,0|1,0,1]=4 1990 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,1,0,0,0,0|1,0,1]=4 1991 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,1,0,0,0,0|1,0,1]=4 1992 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,1,0,0,0,0|1,0,1]=4 1993 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,1,0,0,0,0|1,0,1]=4 1994 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,1,0,0,0,0|1,0,1]=4 1995 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,1,0,0,0,0|1,0,1]=4 1996 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,1,0,0,0,0|1,0,1]=4 1997 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,1,0,0,0,0|1,0,1]=4 1998 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,1,0,0,0,0|1,0,1]=4 1999 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,1,0,0,0,0|1,0,1]=4 2000 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,1,0,0,0,0|1,0,1]=4 2001 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,1,0,0,0,0|1,0,1]=4 2002 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,1,0,0,0,0|1,0,1]=4 2003 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,1,0,0,0,0|0,0,2]=4 2004 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [1,1,0,0,0,0|2,0,0]=4 2005 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,1,0,0,0,0|2,0,0]=4 2006 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [1,1,0,0,0,0|1,0,1]=4 2007 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [1,1,0,0,0,0|1,0,1]=4 2008 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [1,1,0,0,0,0|2,0,0]=4 2009 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [1,1,0,0,0,0|2,0,0]=4 2010 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [1,1,0,0,0,0|2,0,0]=4 2011 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [1,1,0,0,0,0|1,0,0]=3 2012 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [1,1,0,0,0,0|2,0,0]=4 2013 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [1,1,0,0,0,0|1,0,1]=4 2014 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [1,1,0,0,0,0|2,0,0]=4 2015 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [1,1,0,0,0,0|2,0,0]=4 2016 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [1,1,0,0,0,0|1,0,1]=4 2017 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [1,1,0,0,0,0|1,0,1]=4 2018 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [1,1,0,0,0,0|2,0,0]=4 2019 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [1,1,0,0,0,0|2,0,0]=4 2020 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [1,1,0,0,0,0|2,0,0]=4 2021 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [1,1,0,0,0,0|1,0,1]=4 2022 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [1,1,0,0,0,0|2,0,0]=4 2023 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [1,1,0,0,0,0|2,0,0]=4 2024 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [1,1,0,0,0,0|2,0,0]=4 2025 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [1,1,0,0,0,0|2,0,0]=4 2026 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [1,1,0,0,0,0|2,0,0]=4 2027 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [1,1,0,0,0,0|2,0,0]=4 2028 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [1,1,0,0,0,0|2,0,0]=4 2029 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [1,1,0,0,0,0|1,0,1]=4 2030 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [1,1,0,0,0,0|2,0,0]=4 2031 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [1,1,0,0,0,0|2,0,0]=4 2032 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [1,1,0,0,0,0|1,0,1]=4 2033 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [1,1,0,0,0,0|1,0,1]=4 2034 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000070787_100000750626 [1,1,0,0,0,0|1,0,1]=4 2035 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000210301 [1,1,0,0,0,0|1,0,1]=4 2036 B9R0.56 CC(=O)CCCS(=O)(=O)[O-] 1458a_100000070787_100009813499 [1,1,0,0,0,0|1,0,1]=4 2037 B9R0.56 [13CH3]C(=O)CCCS(=O)(=O)N 1458a_100000739357_200025704644 [1,1,0,0,0,0|1,0,1]=4 2038 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,1,0,0,1,0|2,0,0]=4 2039 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,1,0|1,0,0]=3 2040 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,1,0|1,0,0]=3 2041 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,1,0,0,1,0|2,0,0]=4 2042 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,1,0,0,1,0|2,0,0]=4 2043 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,1,0,0,1,0|2,0,0]=4 2044 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,1,0,0,1,0|2,0,0]=4 2045 B11R0.22 COC(CCNCC(=O)O)OC 269956a_100016091260_100000139399 [0,1,0,0,0,1|0,0,2]=4 2046 B11R0.29 C=C(C)C(=O)CCCCC(=O)C 1458a_100000185857_100000735457 [0,1,0,0,0,1|2,0,0]=4 2047 B11R0.29 C=C(C)C(=O)CCCOC(=O)C 1458a_100000185857_100000042594 [0,1,0,0,0,1|2,0,0]=4 2048 B11R0.29 C=C(C)C(=O)CCCSC(=O)C 1458a_100000185857_100000038929 [0,1,0,0,0,1|2,0,0]=4 2049 B11R0.29 C=C(C)C(=O)CCOCC(=O)N 1458a_100000185857_100000076697 [0,1,0,0,0,1|2,0,0]=4 2050 B11R0.29 CC(=O)C(=O)CNOCC(=O)O 269956a_100000106656_100011261029 [0,1,0,0,0,1|2,0,0]=4 2051 B11R0.29 CC(=O)C(=O)COCCC(=O)N 34a_100000757172_100011261029 [0,1,0,0,0,1|2,0,0]=4 2052 B11R0.29 CC(=O)C(=O)CSCCC(=O)N 62a_100000744528_100011261029 [0,1,0,0,0,1|2,0,0]=4 2053 B11R0.29 CC(=O)C(=O)CSCCC(=O)N 62a_100011261029_100000744528 [0,1,0,0,0,1|2,0,0]=4 2054 B11R0.29 CC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000735457 [0,1,0,0,0,1|2,0,0]=4 2055 B11R0.29 CC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000735457 [0,1,0,0,0,1|2,0,0]=4 2056 B11R0.29 CC(=O)CCCCC(=O)N(C)C 1458a_100000070787_100000752486 [0,1,0,0,0,1|2,0,0]=4 2057 B11R0.29 CC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000735457 [0,1,0,0,0,1|2,0,0]=4 2058 B11R0.29 CC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000735457 [0,1,0,0,0,1|2,0,0]=4 2059 B11R0.29 CC(=O)CCOCC(=O)C(=O)C 34a_100000759926_100011261029 [0,1,0,0,0,1|2,0,0]=4 2060 B11R0.29 CC(=O)CCOCC(=O)C(C)C 34a_100000759926_100000753385 [0,1,0,0,0,1|2,0,0]=4 2061 B11R0.29 CC(=O)CCOCC(=O)C(C)C 7a_100000759926_100000753385 [0,1,0,0,0,1|2,0,0]=4 2062 B11R0.29 CC(=O)CCOCC(=O)N(C)C 34a_100000759926_100000692301 [0,1,0,0,0,1|2,0,0]=4 2063 B11R0.29 CC(=O)CCOCC(=O)N(C)C 7a_100000759926_100000692301 [0,1,0,0,0,1|2,0,0]=4 2064 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100000053229_100011261029 [0,1,0,0,0,1|2,0,0]=4 2065 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100011261029_100000053229 [0,1,0,0,0,1|2,0,0]=4 2066 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000053229_100000753385 [0,1,0,0,0,1|2,0,0]=4 2067 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000053229 [0,1,0,0,0,1|2,0,0]=4 2068 B11R0.29 CC(=O)CCSCC(=O)N(C)C 62a_100000053229_100000692301 [0,1,0,0,0,1|2,0,0]=4 2069 B11R0.29 CC(=O)CCSCC(=O)N(C)C 62a_100000692301_100000053229 [0,1,0,0,0,1|2,0,0]=4 2070 B11R0.29 CC(=O)NCCCC(=O)C(C)C 1458a_100000194741_100000210206 [0,1,0,0,0,1|2,0,0]=4 2071 B11R0.29 CC(=O)NCCCC(=O)N(C)C 11a_100102631434_100000194741 [0,1,0,0,0,1|2,0,0]=4 2072 B11R0.29 CC(=O)NCCCC(=O)N(C)C 11a_200000744827_100015343762 [0,1,0,0,0,1|2,0,0]=4 2073 B11R0.29 CC(=O)NCCCC(=O)N(C)C 1626a_100102631434_100000194741 [0,1,0,0,0,1|2,0,0]=4 2074 B11R0.29 CC(=O)NCCCC(=O)N(C)C 240690a_100102631434_100000194741 [0,1,0,0,0,1|2,0,0]=4 2075 B11R0.29 CC(=O)NCCCC(=O)N(C)C 240690a_200000744827_100015343762 [0,1,0,0,0,1|2,0,0]=4 2076 B11R0.29 CC(=O)NCCCC(=O)N(C)C 527a_100102631434_100000194741 [0,1,0,0,0,1|2,0,0]=4 2077 B11R0.29 CC(=O)NCCCC(=O)N(C)C 527a_200000744827_100103153847 [0,1,0,0,0,1|2,0,0]=4 2078 B11R0.29 CC(=O)OCCCC(=O)C(C)C 1458a_100000210198_100000042594 [0,1,0,0,0,1|2,0,0]=4 2079 B11R0.29 CC(=O)OCCCC(=O)C(C)F 1458a_100000062450_100000042594 [0,1,0,0,0,1|2,0,0]=4 2080 B11R0.29 CC(=O)OCCCC(=O)[C@@H](C)O 1458a_100000717761_100000042594 [0,1,0,0,0,1|2,0,0]=4 2081 B11R0.29 CC(=O)OCCCC(=O)[C@H](C)O 1458a_217856618621_100000042594 [0,1,0,0,0,1|2,0,0]=4 2082 B11R0.29 CC(=O)SCCCC(=O)C(C)C 1458a_100000210198_100000038929 [0,1,0,0,0,1|2,0,0]=4 2083 B11R0.29 CC(=O)SCCCC(=O)C(C)F 1458a_100000062450_100000038929 [0,1,0,0,0,1|2,0,0]=4 2084 B11R0.29 CC(=O)SCCCC(=O)[C@@H](C)O 1458a_100000717761_100000038929 [0,1,0,0,0,1|2,0,0]=4 2085 B11R0.29 CC(=O)SCCCC(=O)[C@H](C)O 1458a_217856618621_100000038929 [0,1,0,0,0,1|2,0,0]=4 2086 B11R0.29 CC(C)C(=O)CCOCC(=O)N 1458a_100000210198_100000076697 [0,1,0,0,0,1|2,0,0]=4 2087 B11R0.29 CC(C)C(=O)CCSCC(=O)N 1458a_100000148550_100000210206 [0,1,0,0,0,1|2,0,0]=4 2088 B11R0.29 CC(C)C(=O)CNOCC(=O)O 269956a_100000106656_100000753385 [0,1,0,0,0,1|2,0,0]=4 2089 B11R0.29 CC(C)C(=O)COCCC(=O)N 34a_100000757172_100000753385 [0,1,0,0,0,1|2,0,0]=4 2090 B11R0.29 CC(C)C(=O)COCCC(=O)N 7a_100000757172_100000753385 [0,1,0,0,0,1|2,0,0]=4 2091 B11R0.29 CC(C)C(=O)CSCCC(=O)N 62a_100000744528_100000753385 [0,1,0,0,0,1|2,0,0]=4 2092 B11R0.29 CC(C)C(=O)CSCCC(=O)N 62a_100000753385_100000744528 [0,1,0,0,0,1|2,0,0]=4 2093 B11R0.29 CC(C)C(=O)NCCCC(=O)N 240690a_100000739312_100000210198 [0,1,0,0,0,1|2,0,0]=4 2094 B11R0.29 CC(C)C(=O)NCCCC(=O)N 527a_100000739312_100000210198 [0,1,0,0,0,1|2,0,0]=4 2095 B11R0.29 CC(F)C(=O)CCOCC(=O)N 1458a_100000062450_100000076697 [0,1,0,0,0,1|2,0,0]=4 2096 B11R0.29 CC(F)C(=O)NCCCC(=O)N 240690a_100000739312_100000062450 [0,1,0,0,0,1|2,0,0]=4 2097 B11R0.29 CC(F)C(=O)NCCCC(=O)N 527a_100000739312_100000062450 [0,1,0,0,0,1|2,0,0]=4 2098 B11R0.29 CN(C)C(=O)CCNCC(=O)N 2230a_100000711301_100000737620 [0,1,0,0,0,1|2,0,0]=4 2099 B11R0.29 CN(C)C(=O)CCNCC(=O)N 2230a_100000738053_100000747473 [0,1,0,0,0,1|2,0,0]=4 2100 B11R0.29 CN(C)C(=O)CCNCC(=O)O 269956a_100016091260_100000737620 [0,1,0,0,0,1|1,0,0]=3 2101 B11R0.29 CN(C)C(=O)CCOCC(=O)N 34a_200000747469_100000187820 [0,1,0,0,0,1|2,0,0]=4 2102 B11R0.29 CN(C)C(=O)CCOCC(=O)[O-] 34a_200000747469_100020667443 [0,1,0,0,0,1|1,0,1]=4 2103 B11R0.29 CN(C)C(=O)CCSCC(=O)N 11a_100102631434_100000148550 [0,1,0,0,0,1|2,0,0]=4 2104 B11R0.29 CN(C)C(=O)CCSCC(=O)N 240690a_100102631434_100000148550 [0,1,0,0,0,1|2,0,0]=4 2105 B11R0.29 CN(C)C(=O)CCSCC(=O)N 527a_100102631434_100000148550 [0,1,0,0,0,1|2,0,0]=4 2106 B11R0.29 CN(C)C(=O)CCSCC(=O)N 62a_100000737620_100000747473 [0,1,0,0,0,1|2,0,0]=4 2107 B11R0.29 CN(C)C(=O)CCSCC(=O)N 62a_100000747473_100000737620 [0,1,0,0,0,1|2,0,0]=4 2108 B11R0.29 CN(C)C(=O)CCSCC(=O)[O-] 62a_100000737620_100020667443 [0,1,0,0,0,1|1,0,1]=4 2109 B11R0.29 CN(C)C(=O)CCSCC(=O)[O-] 62a_100020667443_100000737620 [0,1,0,0,0,1|1,0,1]=4 2110 B11R0.29 CN(C)C(=O)CNCCC(=O)N 2230a_100015183351_100000744528 [0,1,0,0,0,1|2,0,0]=4 2111 B11R0.29 CN(C)C(=O)CNOCC(=O)O 269956a_100000106656_100000692301 [0,1,0,0,0,1|2,0,0]=4 2112 B11R0.29 CN(C)C(=O)COCCC(=O)N 34a_100000757172_100000692301 [0,1,0,0,0,1|2,0,0]=4 2113 B11R0.29 CN(C)C(=O)COCCC(=O)N 7a_100000757172_100000692301 [0,1,0,0,0,1|2,0,0]=4 2114 B11R0.29 CN(C)C(=O)CSCCC(=O)N 62a_100000692301_100000744528 [0,1,0,0,0,1|2,0,0]=4 2115 B11R0.29 CN(C)C(=O)CSCCC(=O)N 62a_100000744528_100000692301 [0,1,0,0,0,1|2,0,0]=4 2116 B11R0.29 C[C@@H](O)C(=O)CCOCC(=O)N 1458a_100000717761_100000076697 [0,1,0,0,0,1|2,0,0]=4 2117 B11R0.29 C[C@@H](O)C(=O)NCCCC(=O)N 240690a_100000739312_100000717761 [0,1,0,0,0,1|2,0,0]=4 2118 B11R0.29 C[C@H](O)C(=O)CCOCC(=O)N 1458a_217856618621_100000076697 [0,1,0,0,0,1|2,0,0]=4 2119 B11R0.29 C[C@H](O)C(=O)NCCCC(=O)N 240690a_100000739312_217856618621 [0,1,0,0,0,1|2,0,0]=4 2120 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_100000211351_100000730704 [0,1,0,0,0,1|2,0,0]=4 2121 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_200000688413_100000747449 [0,1,0,0,0,1|2,0,0]=4 2122 B11R0.93 C=C(C)CCN(C)CC(=O)OC 2230a_100000198492_100000730704 [0,1,0,0,0,1|2,0,0]=4 2123 B11R0.93 C=C(C)COC(C)CC(=O)OC 34a_100000210245_100009817358 [0,1,0,0,0,1|2,0,0]=4 2124 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100000748629_100009817358 [0,1,0,0,0,1|2,0,0]=4 2125 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100009817358_100000211660 [0,1,0,0,0,1|2,0,0]=4 2126 B11R0.93 C=C(F)COC(C)CC(=O)OC 34a_200010262243_100009817358 [0,1,0,0,0,1|2,0,0]=4 2127 B11R0.93 C=C(F)CSC(C)CC(=O)OC 62a_100000042424_100009817358 [0,1,0,0,0,1|2,0,0]=4 2128 B11R0.93 C=C(F)CSC(C)CC(=O)OC 62a_100009817358_100000042424 [0,1,0,0,0,1|2,0,0]=4 2129 B11R0.93 CCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747405 [0,1,0,0,0,1|2,0,0]=4 2130 B11R0.93 CCC(=O)CC(C)CSC(=O)C 1458a_100000210414_200000116872 [0,1,0,0,0,1|2,0,0]=4 2131 B11R0.93 CNC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000183359 [0,1,0,0,0,1|2,0,0]=4 2132 B11R0.93 CNC(=O)CN(C)CCC(=O)N 2230a_100000189611_100000744528 [0,1,0,0,0,1|2,0,0]=4 2133 B11R0.93 CNC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000183359 [0,1,0,0,0,1|2,0,0]=4 2134 B11R0.93 COC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747449 [0,1,0,0,0,1|1,0,0]=3 2135 B11R0.93 COC(=O)CC(=O)CCC(C)O 1458a_100000211351_100012276601 [0,1,0,0,0,1|1,0,1]=4 2136 B11R0.93 COC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000747449 [0,1,0,0,0,1|1,0,1]=4 2137 B11R0.93 COC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747449 [0,1,0,0,0,1|1,0,1]=4 2138 B11R0.93 COC(=O)CC(=O)CNC(=O)N 1458a_100000184981_100000747449 [0,1,0,0,0,1|1,0,1]=4 2139 B11R0.93 COC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747449 [0,1,0,0,0,1|1,0,1]=4 2140 B11R0.93 COC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000747449 [0,1,0,0,0,1|1,0,1]=4 2141 B11R0.93 COC(=O)CC(=O)NCC(=O)N 240690a_100000711301_100000211351 [0,1,0,0,0,1|1,0,1]=4 2142 B11R0.93 COC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817358 [0,1,0,0,0,1|1,0,0]=3 2143 B11R0.93 COC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817358 [0,1,0,0,0,1|0,0,0]=2 2144 B11R0.93 COC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817358 [0,1,0,0,0,1|1,0,1]=4 2145 B11R0.93 COC(=O)CC(C)NCC(C)O 34a_100000210904_100009817358 [0,1,0,0,0,1|1,0,1]=4 2146 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [0,1,0,0,0,1|1,0,0]=3 2147 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817358 [0,1,0,0,0,1|1,0,0]=3 2148 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100009817358_100000747473 [0,1,0,0,0,1|1,0,0]=3 2149 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100009817358_100020667443 [0,1,0,0,0,1|0,0,1]=3 2150 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100020667443_100009817358 [0,1,0,0,0,1|0,0,1]=3 2151 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100009817358_100011218427 [0,1,0,0,0,1|1,0,1]=4 2152 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100011218427_100009817358 [0,1,0,0,0,1|1,0,1]=4 2153 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817358_100009817552 [0,1,0,0,0,1|1,0,1]=4 2154 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817358 [0,1,0,0,0,1|1,0,1]=4 2155 B11R0.93 COC(=O)CC(C)SC[N+](=O)[O-] 62a_100009817358_100000761209 [0,1,0,0,0,1|1,0,1]=4 2156 B11R0.93 COC(=O)CC(O)CNC(=O)C 188690a_100025770978_100015343762 [0,1,0,0,0,1|1,0,0]=3 2157 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000198492_100000744528 [0,1,0,0,0,1|1,0,0]=3 2158 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000747449 [0,1,0,0,0,1|1,0,0]=3 2159 B11R0.93 COC(=O)CN(C)CCC(C)O 2230a_100000198492_100012276601 [0,1,0,0,0,1|1,0,1]=4 2160 B11R0.106 C#CC(=O)CCCCC(=O)OC 1458a_100000211873_100000204269 [0,1,0,0,0,1|1,0,0]=3 2161 B11R0.106 C#CC(=O)CCOCC(=O)OC 1458a_100000211873_100000090808 [0,1,0,0,0,1|1,0,0]=3 2162 B11R0.106 C=C(C#N)CSCCC(=O)OC 62a_100000204255_100000694840 [0,1,0,0,0,1|2,0,0]=4 2163 B11R0.106 C=CC(=O)CCCCC(=O)OC 1458a_100000185746_100000204269 [0,1,0,0,0,1|1,0,0]=3 2164 B11R0.106 C=CC(=O)CCOCC(=O)OC 1458a_100000185746_100000090808 [0,1,0,0,0,1|1,0,0]=3 2165 B11R0.106 C=CC(=O)NCCCC(=O)NC 240690a_100000740002_200121576911 [0,1,0,0,0,1|2,0,0]=4 2166 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000204255_100000730141 [0,1,0,0,0,1|1,0,1]=4 2167 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000730141_100000204255 [0,1,0,0,0,1|1,0,1]=4 2168 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,1,0,0,0,1|1,0,0]=3 2169 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,1,0,0,0,1|1,0,0]=3 2170 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,1,0,0,0,1|1,0,0]=3 2171 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [0,1,0,0,0,1|1,0,0]=3 2172 B11R0.106 CCC(=O)COCCC(=O)NC 34a_100000725409_100012179268 [0,1,0,0,0,1|2,0,0]=4 2173 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [0,1,0,0,0,1|1,0,0]=3 2174 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000737683_100000747405 [0,1,0,0,0,1|2,0,0]=4 2175 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000747405_100000737683 [0,1,0,0,0,1|2,0,0]=4 2176 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [0,1,0,0,0,1|1,0,0]=3 2177 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [0,1,0,0,0,1|1,0,0]=3 2178 B11R0.106 CCC(=O)CSCOC(=O)OC 62a_100000747405_100000139417 [0,1,0,0,0,1|2,0,0]=4 2179 B11R0.106 CCC(=O)NCCCC(=O)NC 11a_100000740002_100000210414 [0,1,0,0,0,1|2,0,0]=4 2180 B11R0.106 CCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210414 [0,1,0,0,0,1|2,0,0]=4 2181 B11R0.106 CCC(=O)NCCCC(=O)NC 527a_100000740002_100000210414 [0,1,0,0,0,1|2,0,0]=4 2182 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,1,0,0,0,1|1,0,0]=3 2183 B11R0.106 CCC(=O)NCCNC(=O)CO 240690a_100132302217_100000210174 [0,1,0,0,0,1|2,0,0]=4 2184 B11R0.106 CCC(=O)NCCNC(=O)CO 527a_100132302217_100000210174 [0,1,0,0,0,1|2,0,0]=4 2185 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [0,1,0,0,0,1|1,0,1]=4 2186 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [0,1,0,0,0,1|1,0,1]=4 2187 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [0,1,0,0,0,1|1,0,1]=4 2188 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [0,1,0,0,0,1|1,0,0]=3 2189 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [0,1,0,0,0,1|1,0,0]=3 2190 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [0,1,0,0,0,1|1,0,0]=3 2191 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [0,1,0,0,0,1|1,0,0]=3 2192 B11R0.106 CNC(=O)CCCNC(=O)CO 240690a_100000740002_100000210174 [0,1,0,0,0,1|1,0,0]=3 2193 B11R0.106 CNC(=O)CCCNC(=O)CO 527a_100000740002_100000210174 [0,1,0,0,0,1|1,0,0]=3 2194 B11R0.106 CNC(=O)CCCNC(=O)NC 2708a_100000740002_106832991635 [0,1,0,0,0,1|2,0,0]=4 2195 B11R0.106 CNC(=O)CCCNC(=O)NC 2708a_100102657272_100000740002 [0,1,0,0,0,1|2,0,0]=4 2196 B11R0.106 CNC(=O)CCCNC(=O)NC 273464a_100000740002_100102657272 [0,1,0,0,0,1|2,0,0]=4 2197 B11R0.106 CNC(=O)CCCNC(=O)NC 273464a_100102657272_100000740002 [0,1,0,0,0,1|2,0,0]=4 2198 B11R0.106 CNC(=O)CCCNC(=O)NC 512a_100000740002_100102657272 [0,1,0,0,0,1|2,0,0]=4 2199 B11R0.106 CNC(=O)CCCNC(=O)NC 512a_106832991638_100000740002 [0,1,0,0,0,1|2,0,0]=4 2200 B11R0.106 CNC(=O)CCCNC(=O)OC 11a_106832991635_100000753017 [0,1,0,0,0,1|1,0,0]=3 2201 B11R0.106 CNC(=O)CCCNC(=O)OC 1626a_100102657272_100000753017 [0,1,0,0,0,1|1,0,0]=3 2202 B11R0.106 CNC(=O)CCCNC(=O)OC 240690a_100102657272_100000753017 [0,1,0,0,0,1|1,0,0]=3 2203 B11R0.106 CNC(=O)CCCNC(=O)OC 527a_100102657272_100000753017 [0,1,0,0,0,1|1,0,0]=3 2204 B11R0.106 CNC(=O)CCNCC(=O)NC 2230a_100000693194_100000737683 [0,1,0,0,0,1|2,0,0]=4 2205 B11R0.106 CNC(=O)CCNCC(=O)NC 2230a_100000738227_100000183359 [0,1,0,0,0,1|2,0,0]=4 2206 B11R0.106 CNC(=O)CCNCC(=O)NC 34a_100000738227_100000183359 [0,1,0,0,0,1|2,0,0]=4 2207 B11R0.106 CNC(=O)CCNCC(=O)OC 2230a_100000738227_100000747449 [0,1,0,0,0,1|1,0,0]=3 2208 B11R0.106 CNC(=O)CCNCC(=O)OC 34a_100000738227_100000747449 [0,1,0,0,0,1|1,0,0]=3 2209 B11R0.106 CNC(=O)CCOCC(=O)NC 34a_100000750040_100012179268 [0,1,0,0,0,1|2,0,0]=4 2210 B11R0.106 CNC(=O)CCOCC(=O)NC 34a_100000754576_100000183359 [0,1,0,0,0,1|2,0,0]=4 2211 B11R0.106 CNC(=O)CCOCC(=O)OC 34a_100000754576_100000747449 [0,1,0,0,0,1|1,0,0]=3 2212 B11R0.106 CNC(=O)CCSCC(=O)NC 62a_100000183359_100000737683 [0,1,0,0,0,1|2,0,0]=4 2213 B11R0.106 CNC(=O)CCSCC(=O)NC 62a_100000737683_100000183359 [0,1,0,0,0,1|2,0,0]=4 2214 B11R0.106 CNC(=O)CCSCC(=O)OC 62a_100000737683_100000747449 [0,1,0,0,0,1|1,0,0]=3 2215 B11R0.106 CNC(=O)CCSCC(=O)OC 62a_100000747449_100000737683 [0,1,0,0,0,1|1,0,0]=3 2216 B11R0.106 CNC(=O)CNCCC(=O)OC 2230a_100000693194_100000204255 [0,1,0,0,0,1|1,0,0]=3 2217 B11R0.106 CNC(=O)COCCC(=NO)N 34a_100000749954_100000183359 [0,1,0,0,0,1|2,0,0]=4 2218 B11R0.106 CNC(=O)COCCC(=O)OC 34a_100000750040_100000742370 [0,1,0,0,0,1|1,0,0]=3 2219 B11R0.106 CNC(=O)CSCCC(=O)OC 62a_100000183359_100000204255 [0,1,0,0,0,1|1,0,0]=3 2220 B11R0.106 CNC(=O)CSCCC(=O)OC 62a_100000204255_100000183359 [0,1,0,0,0,1|1,0,0]=3 2221 B11R0.106 CNC(=O)CSCOC(=O)OC 62a_100000183359_100000139417 [0,1,0,0,0,1|2,0,0]=4 2222 B11R0.106 CNC(=O)NCCNC(=O)CO 240690a_100015205895_100000210174 [0,1,0,0,0,1|2,0,0]=4 2223 B11R0.106 CNC(=O)NCCNC(=O)CO 527a_100015205895_100000210174 [0,1,0,0,0,1|2,0,0]=4 2224 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [0,1,0,0,0,1|1,0,0]=3 2225 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,1,0,0,0,1|0,0,0]=2 2226 B11R0.106 COC(=O)CCCNC(=O)CO 188690a_100000184769_100000210174 [0,1,0,0,0,1|0,0,0]=2 2227 B11R0.106 COC(=O)CCCN[C@H](C)CO 2230a_100000737577_100011218270 [0,1,0,0,0,1|1,0,1]=4 2228 B11R0.106 COC(=O)CCCSC(C)CO 62a_100012180447_100011218270 [0,1,0,0,0,1|1,0,1]=4 2229 B11R0.106 COC(=O)CCCSC(C)OC 62a_100009879195_100011218270 [0,1,0,0,0,1|1,0,1]=4 2230 B11R0.106 COC(=O)CCCSC(C)OC 62a_100011218270_100009879195 [0,1,0,0,0,1|1,0,1]=4 2231 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100011218270_100016084084 [0,1,0,0,0,1|1,0,1]=4 2232 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100016084084_100011218270 [0,1,0,0,0,1|1,0,1]=4 2233 B11R0.106 COC(=O)CCNCC(C)CO 34a_100000744482_100000742370 [0,1,0,0,0,1|1,0,1]=4 2234 B11R0.106 COC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000204255 [0,1,0,0,0,1|1,0,1]=4 2235 B11R0.106 COC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000742370 [0,1,0,0,0,1|1,0,1]=4 2236 B11R0.106 COC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000204255 [0,1,0,0,0,1|0,0,2]=4 2237 B11R0.106 COC(=O)CCOCC(C)OC 34a_100000690652_100000742370 [0,1,0,0,0,1|1,0,1]=4 2238 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000204255_100000747449 [0,1,0,0,0,1|0,0,0]=2 2239 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000747449_100000204255 [0,1,0,0,0,1|0,0,0]=2 2240 B11R0.106 COC(=O)CCSCC(O)CO 62a_100000204255_100011219619 [0,1,0,0,0,1|0,0,2]=4 2241 B11R0.106 COC(=O)CCSCC(O)CO 62a_100011219619_100000204255 [0,1,0,0,0,1|0,0,2]=4 2242 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000204255 [0,1,0,0,0,1|1,0,1]=4 2243 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000204255_100000059175 [0,1,0,0,0,1|1,0,1]=4 2244 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100000204255_100015614560 [0,1,0,0,0,1|1,0,1]=4 2245 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000204255 [0,1,0,0,0,1|1,0,1]=4 2246 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100000204255_100009815848 [0,1,0,0,0,1|0,0,2]=4 2247 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000204255 [0,1,0,0,0,1|0,0,2]=4 2248 B11R0.106 COC(=O)CNCCC(C)CO 2230a_106354213184_100000747449 [0,1,0,0,0,1|1,0,1]=4 2249 B11R0.106 COC(=O)CNCCC(C)CO 34a_106354213184_100000747449 [0,1,0,0,0,1|1,0,1]=4 2250 B11R0.106 COC(=O)COCCC(=NO)N 34a_100000749954_100000747449 [0,1,0,0,0,1|1,0,0]=3 2251 B11R0.106 COC(=O)COCCC(=O)CO 1458a_100000210174_100000090808 [0,1,0,0,0,1|0,0,0]=2 2252 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [0,1,0,0,0,1|1,0,1]=4 2253 B11R0.106 COC(=O)CSCOC(=O)OC 62a_100000747449_100000139417 [0,1,0,0,0,1|1,0,0]=3 2254 B11R0.106 COC(=O)NCCCC(=O)CF 1458a_100000753017_100015361967 [0,1,0,0,0,1|1,0,0]=3 2255 B11R0.107 C=C(C)CC(=O)CCC(=O)OC 1458a_100000187943_100000748629 [0,1,0,0,0,1|2,0,0]=4 2256 B11R0.107 C=C(C)CN(C)CCC(=O)OC 2230a_100000225649_100000204255 [0,1,0,0,0,1|2,0,0]=4 2257 B11R0.107 C=C(C)CN(C)CCC(=O)OC 269982a_100000225649_100000204255 [0,1,0,0,0,1|2,0,0]=4 2258 B11R0.107 C=C(C)CN(C)CCC(=O)OC 269982a_100025711912_100000748629 [0,1,0,0,0,1|2,0,0]=4 2259 B11R0.107 C=C(F)CC(=O)CCC(=O)OC 1458a_100000187943_100009893438 [0,1,0,0,0,1|2,0,0]=4 2260 B11R0.107 C=C(F)CN(C)CCC(=O)OC 269982a_100025711912_100009893438 [0,1,0,0,0,1|2,0,0]=4 2261 B11R0.107 CNC(=O)CCC(=O)CC(=O)N 1458a_100011309844_100000187820 [0,1,0,0,0,1|2,0,0]=4 2262 B11R0.107 CNC(=O)CCC(=O)CC(=O)[O-] 1458a_100011309844_100020667443 [0,1,0,0,0,1|1,0,1]=4 2263 B11R0.107 CNC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000737683 [0,1,0,0,0,1|2,0,0]=4 2264 B11R0.107 CNC(=O)CCN(C)CC(=O)N 2230a_100000750875_100000747473 [0,1,0,0,0,1|2,0,0]=4 2265 B11R0.107 CNC(=O)CCN(C)CC(=O)N 269982a_100000750875_100000187820 [0,1,0,0,0,1|2,0,0]=4 2266 B11R0.107 CNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737683 [0,1,0,0,0,1|1,0,0]=3 2267 B11R0.107 CNC(=O)CCN(C)CC(=O)[O-] 269982a_100000750875_100020667443 [0,1,0,0,0,1|1,0,1]=4 2268 B11R0.107 COC(=O)CCC(=O)CC(=O)C 1458a_100000070787_100000691467 [0,1,0,0,0,1|1,0,0]=3 2269 B11R0.107 COC(=O)CCC(=O)CC(=O)N 1458a_100000187943_100000187820 [0,1,0,0,0,1|1,0,0]=3 2270 B11R0.107 COC(=O)CCC(=O)CC(=O)[O-] 1458a_100000187943_100020667443 [0,1,0,0,0,1|0,0,1]=3 2271 B11R0.107 COC(=O)CCC(=O)CC(C)O 1458a_100000187943_100011218427 [0,1,0,0,0,1|1,0,1]=4 2272 B11R0.107 COC(=O)CCC(=O)C[N+](=O)[O-] 1458a_100000187943_100000761209 [0,1,0,0,0,1|1,0,1]=4 2273 B11R0.107 COC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000204255 [0,1,0,0,0,1|1,0,0]=3 2274 B11R0.107 COC(=O)CCN(C)CC(=O)N 269982a_100025711912_100000187820 [0,1,0,0,0,1|1,0,0]=3 2275 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [0,1,0,0,0,1|0,0,0]=2 2276 B11R0.107 COC(=O)CCN(C)CC(=O)[O-] 269982a_100025711912_100020667443 [0,1,0,0,0,1|0,0,1]=3 2277 B11R0.107 COC(=O)CCN(C)CC(C)O 2230a_100000227577_100000204255 [0,1,0,0,0,1|1,0,1]=4 2278 B11R0.107 COC(=O)CCN(C)CC(C)O 269982a_100000227577_100000204255 [0,1,0,0,0,1|1,0,1]=4 2279 B11R0.107 COC(=O)CCN(C)CC(C)O 269982a_100025711912_100011218427 [0,1,0,0,0,1|1,0,1]=4 2280 B11R0.107 COC(=O)CCN(C)C[C@@H](C)O 269982a_100025711912_100009817552 [0,1,0,0,0,1|1,0,1]=4 2281 B11R0.107 COC(=O)CCN(C)C[N+](=O)[O-] 269982a_100025711912_100000761209 [0,1,0,0,0,1|1,0,1]=4 2282 B11R0.107 COC(=O)CNC(=O)CC(=O)C 1458a_100000070787_100000182966 [0,1,0,0,0,1|1,0,1]=4 2283 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100000747449_100009818208 [0,1,0,0,0,1|2,0,0]=4 2284 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747449 [0,1,0,0,0,1|2,0,0]=4 2285 B11R0.107 COC(=O)NCC(=O)CC(=O)N 1458a_100000215747_100000187820 [0,1,0,0,0,1|1,0,1]=4 2286 B11R0.107 COC(=O)NCC(=O)CC(=O)[O-] 1458a_100000215747_100020667443 [0,1,0,0,0,1|0,0,2]=4 2287 B11R0.107 COC(C)NCC(O)CC(=O)O 269956a_100011218706_100009879195 [0,1,0,0,0,1|1,0,1]=4 2288 B11R0.109 C=C(C)C(=O)CCCC(=O)OC 1458a_100000185857_100011218270 [0,1,0,0,0,1|2,0,0]=4 2289 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,1,0,0,0,1|1,0,0]=3 2290 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,1,0,0,0,1|1,0,0]=3 2291 B11R0.109 CCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747405 [0,1,0,0,0,1|2,0,0]=4 2292 B11R0.109 CNC(=O)CCNC(C)C(=O)C 2230a_100000738227_100009814033 [0,1,0,0,0,1|2,0,0]=4 2293 B11R0.109 CNC(=O)CCNC(C)C(=O)N 2230a_100000738227_100000702099 [0,1,0,0,0,1|2,0,0]=4 2294 B11R0.109 CNC(=O)CCNC(C)C(=O)N 34a_100000738227_100000702099 [0,1,0,0,0,1|2,0,0]=4 2295 B11R0.109 CNC(=O)CCNC(F)C(=O)N 2230a_100000738227_100009813875 [0,1,0,0,0,1|2,0,0]=4 2296 B11R0.109 CNC(=O)CCNC(F)C(=O)N 34a_100000738227_100009813875 [0,1,0,0,0,1|2,0,0]=4 2297 B11R0.109 CNC(=O)CCNC(F)C(=O)[O-] 34a_100000738227_100020610796 [0,1,0,0,0,1|1,0,1]=4 2298 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,1,0,0,0,1|1,0,0]=3 2299 B11R0.109 CNC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000737683 [0,1,0,0,0,1|2,0,0]=4 2300 B11R0.109 CNC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100012179268 [0,1,0,0,0,1|2,0,0]=4 2301 B11R0.109 CNC(=O)CCOC(C)C(=O)C 34a_100000212229_100012179268 [0,1,0,0,0,1|2,0,0]=4 2302 B11R0.109 CNC(=O)CCOC(C)C(=O)N 34a_100000754576_100000702099 [0,1,0,0,0,1|2,0,0]=4 2303 B11R0.109 CNC(=O)CCOC(F)C(=O)N 34a_100000754576_100009813875 [0,1,0,0,0,1|2,0,0]=4 2304 B11R0.109 CNC(=O)CCOC(F)C(=O)[O-] 34a_100000754576_100020610796 [0,1,0,0,0,1|1,0,1]=4 2305 B11R0.109 CNC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000737683 [0,1,0,0,0,1|1,0,1]=4 2306 B11R0.109 CNC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100012179268 [0,1,0,0,0,1|2,0,0]=4 2307 B11R0.109 CNC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000737683 [0,1,0,0,0,1|2,0,0]=4 2308 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100000737683_100009814033 [0,1,0,0,0,1|2,0,0]=4 2309 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100009814033_100000737683 [0,1,0,0,0,1|2,0,0]=4 2310 B11R0.109 CNC(=O)CCSC(C)C(=O)N 62a_100000702099_100000737683 [0,1,0,0,0,1|2,0,0]=4 2311 B11R0.109 CNC(=O)CCSC(C)C(=O)N 62a_100000737683_100000702099 [0,1,0,0,0,1|2,0,0]=4 2312 B11R0.109 CNC(=O)CCSC(F)C(=O)N 62a_100000737683_100009813875 [0,1,0,0,0,1|2,0,0]=4 2313 B11R0.109 CNC(=O)CCSC(F)C(=O)N 62a_100009813875_100000737683 [0,1,0,0,0,1|2,0,0]=4 2314 B11R0.109 CNC(=O)CCSC(F)C(=O)[O-] 62a_100000737683_100020610796 [0,1,0,0,0,1|1,0,1]=4 2315 B11R0.109 CNC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000737683 [0,1,0,0,0,1|1,0,1]=4 2316 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,1,0,0,0,1|1,0,0]=3 2317 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [0,1,0,0,0,1|1,0,0]=3 2318 B11R0.109 CNC(=O)COCC(C)C(=O)C 34a_100000032740_100000183359 [0,1,0,0,0,1|2,0,0]=4 2319 B11R0.109 CNC(=O)COCC(C)C(=O)C 7a_100000032740_100000183359 [0,1,0,0,0,1|2,0,0]=4 2320 B11R0.109 CNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183359 [0,1,0,0,0,1|2,0,0]=4 2321 B11R0.109 COC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011218270 [0,1,0,0,0,1|0,0,2]=4 2322 B11R0.109 COC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011218270 [0,1,0,0,0,1|1,0,1]=4 2323 B11R0.109 COC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011218270 [0,1,0,0,0,1|1,0,1]=4 2324 B11R0.109 COC(=O)CCCN(C)C(=O)C 240690a_100000739225_100015343762 [0,1,0,0,0,1|1,0,0]=3 2325 B11R0.109 COC(=O)CCCN(C)C(=O)C 527a_100000739225_100103153847 [0,1,0,0,0,1|1,0,0]=3 2326 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,1,0,0,0,1|0,0,0]=2 2327 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000204255 [0,1,0,0,0,1|1,0,0]=3 2328 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100000742370 [0,1,0,0,0,1|1,0,0]=3 2329 B11R0.109 COC(=O)CCOC(C)C(=O)C 34a_100000212229_100000742370 [0,1,0,0,0,1|1,0,0]=3 2330 B11R0.109 COC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000204255 [0,1,0,0,0,1|0,0,1]=3 2331 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100000742370 [0,1,0,0,0,1|1,0,0]=3 2332 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000204255 [0,1,0,0,0,1|1,0,0]=3 2333 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100000204255_100009814033 [0,1,0,0,0,1|1,0,0]=3 2334 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100009814033_100000204255 [0,1,0,0,0,1|1,0,0]=3 2335 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000204255_100000702099 [0,1,0,0,0,1|1,0,0]=3 2336 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000702099_100000204255 [0,1,0,0,0,1|1,0,0]=3 2337 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100000204255_100009813875 [0,1,0,0,0,1|1,0,0]=3 2338 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100009813875_100000204255 [0,1,0,0,0,1|1,0,0]=3 2339 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100000204255_100020610796 [0,1,0,0,0,1|0,0,1]=3 2340 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000204255 [0,1,0,0,0,1|0,0,1]=3 2341 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,1,0,0,0,1|0,0,0]=2 2342 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,1,0,0,0,1|0,0,0]=2 2343 B11R0.109 COC(=O)COCC(C)C(=O)C 34a_100000032740_100000747449 [0,1,0,0,0,1|1,0,0]=3 2344 B11R0.109 COC(=O)COCC(C)C(=O)C 7a_100000032740_100000747449 [0,1,0,0,0,1|1,0,0]=3 2345 B11R0.109 COC(=O)COCC(C)[N+](=O)[O-] 34a_100000039676_100000747449 [0,1,0,0,0,1|1,0,1]=4 2346 B11R0.109 COC(=O)COCC(C)[N+](=O)[O-] 7a_100000039676_100000747449 [0,1,0,0,0,1|1,0,1]=4 2347 B11R0.109 COC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000747449 [0,1,0,0,0,1|1,0,0]=3 2348 B11R0.109 COC(=O)CSCC(=O)C(=O)C 62a_100000747449_100011261029 [0,1,0,0,0,1|1,0,1]=4 2349 B11R0.109 COC(=O)CSCC(=O)C(=O)C 62a_100011261029_100000747449 [0,1,0,0,0,1|1,0,1]=4 2350 B11R0.109 COC(=O)OCSC(C)C(=O)C 62a_100009814033_100000139417 [0,1,0,0,0,1|2,0,0]=4 2351 B11R0.109 COC(=O)OCSC(C)C(=O)N 62a_100000702099_100000139417 [0,1,0,0,0,1|2,0,0]=4 2352 B11R0.109 COC(=O)OCSC(F)C(=O)N 62a_100009813875_100000139417 [0,1,0,0,0,1|2,0,0]=4 2353 B11R0.109 COC(=O)OCSC(F)C(=O)[O-] 62a_100020610796_100000139417 [0,1,0,0,0,1|1,0,1]=4 2354 B11R0.114 COC(=O)CCNCC(C)(C)O 2230a_100000751335_100000204255 [0,1,0,0,0,1|1,0,1]=4 2355 B11R0.114 COC(=O)CCSCC(C)(C)O 62a_100000204255_100000764493 [0,1,0,0,0,1|1,0,1]=4 2356 B11R0.114 COC(=O)CCSCC(C)(C)O 62a_100000764493_100000204255 [0,1,0,0,0,1|1,0,1]=4 2357 B11R0.114 COC(=O)CCSCS(=O)(=O)N 62a_100000204255_100000741382 [0,1,0,0,0,1|1,0,1]=4 2358 B11R0.114 COC(=O)CCSCS(=O)(=O)N 62a_100000741382_100000204255 [0,1,0,0,0,1|1,0,1]=4 2359 B11R0.114 COC(=O)CCSCS(=O)(=O)[O-] 62a_100000204255_100009817235 [0,1,0,0,0,1|1,0,1]=4 2360 B11R0.114 COC(=O)CCSCS(=O)(=O)[O-] 62a_100009817235_100000204255 [0,1,0,0,0,1|1,0,1]=4 2361 B11R0.114 COC(=O)CNCCS(=O)(=O)C 2230a_100000740961_100000747449 [0,1,0,0,0,1|1,0,1]=4 2362 B11R0.114 COC(=O)CNCCS(=O)(=O)C 34a_100000740961_100000747449 [0,1,0,0,0,1|1,0,1]=4 2363 B11R0.114 COC(=O)CNCCS(=O)(=O)N 2230a_100000738205_100000747449 [0,1,0,0,0,1|1,0,1]=4 2364 B11R0.114 COC(=O)CNCCS(=O)(=O)N 34a_100000738205_100000747449 [0,1,0,0,0,1|1,0,1]=4 2365 B11R0.114 COC(=O)COCCS(=O)(=O)C 34a_100000211924_100000747449 [0,1,0,0,0,1|1,0,1]=4 2366 B11R0.114 COC(=O)COCCS(=O)(=O)C 7a_100000211924_100000747449 [0,1,0,0,0,1|1,0,1]=4 2367 B11R0.114 COC(=O)COCCS(=O)(=O)N 34a_100012334274_100000747449 [0,1,0,0,0,1|1,0,1]=4 2368 B11R0.114 COC(=O)CSCCC(C)(C)O 62a_100000702414_100000747449 [0,1,0,0,0,1|1,0,1]=4 2369 B11R0.114 COC(=O)CSCCC(C)(C)O 62a_100000747449_100000702414 [0,1,0,0,0,1|1,0,1]=4 2370 B11R0.114 COC(=O)CSCCS(=O)(=O)C 62a_100000731031_100000747449 [0,1,0,0,0,1|1,0,1]=4 2371 B11R0.114 COC(=O)CSCCS(=O)(=O)C 62a_100000747449_100000230027 [0,1,0,0,0,1|1,0,1]=4 2372 B11R0.114 COC(=O)CSCCS(=O)(=O)[O-] 62a_100000747449_100000762736 [0,1,0,0,0,1|1,0,1]=4 2373 B11R0.114 COC(=O)CSCCS(=O)(=O)[O-] 62a_100000762736_100000747449 [0,1,0,0,0,1|1,0,1]=4 2374 B11R0.127 CCS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000756660 [0,1,0,0,0,1|2,0,0]=4 2375 B11R0.145 C=C(Br)CCOC(C)C(=O)OC 34a_100009813270_100000211248 [0,1,0,0,0,1|2,0,0]=4 2376 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100000764851_100000211248 [0,1,0,0,0,1|2,0,0]=4 2377 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100011215400_100000730704 [0,1,0,0,0,1|2,0,0]=4 2378 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000211248_100000730704 [0,1,0,0,0,1|2,0,0]=4 2379 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000730704_100000211248 [0,1,0,0,0,1|2,0,0]=4 2380 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000210245_100000698445 [0,1,0,0,0,1|2,0,0]=4 2381 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000749362_100000748629 [0,1,0,0,0,1|2,0,0]=4 2382 B11R0.145 C=C(C)COCC(C)C(=O)OC 7a_100000749362_100000748629 [0,1,0,0,0,1|2,0,0]=4 2383 B11R0.145 C=C(C)COCC(F)C(=O)OC 34a_200009849844_100000748629 [0,1,0,0,0,1|2,0,0]=4 2384 B11R0.145 C=C(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748629 [0,1,0,0,0,1|2,0,0]=4 2385 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000698445_100000211660 [0,1,0,0,0,1|2,0,0]=4 2386 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000748629_100000698445 [0,1,0,0,0,1|2,0,0]=4 2387 B11R0.145 C=C(COCC(=O)C)C(=O)OC 34a_100000211253_100009813391 [0,1,0,0,0,1|1,0,1]=4 2388 B11R0.145 C=C(CSCC(=O)N)C(=O)OC 62a_100000747473_100009813391 [0,1,0,0,0,1|1,0,1]=4 2389 B11R0.145 C=C(CSCC(=O)N)C(=O)OC 62a_100009813391_100000747473 [0,1,0,0,0,1|1,0,1]=4 2390 B11R0.145 C=C(CSCC(=O)[O-])C(=O)OC 62a_100009813391_100020667443 [0,1,0,0,0,1|0,0,2]=4 2391 B11R0.145 C=C(CSCC(=O)[O-])C(=O)OC 62a_100020667443_100009813391 [0,1,0,0,0,1|0,0,2]=4 2392 B11R0.145 C=C(F)COCC(C)C(=O)OC 34a_100000749362_100009893438 [0,1,0,0,0,1|2,0,0]=4 2393 B11R0.145 C=C(F)COCC(C)C(=O)OC 34a_200010262243_100000698445 [0,1,0,0,0,1|2,0,0]=4 2394 B11R0.145 C=C(F)COCC(C)C(=O)OC 7a_100000749362_100000042424 [0,1,0,0,0,1|2,0,0]=4 2395 B11R0.145 C=C(F)COCC(F)C(=O)OC 34a_200009849844_100009893438 [0,1,0,0,0,1|2,0,0]=4 2396 B11R0.145 C=C(F)COC[C@@H](N)C(=O)OC 34a_100000003586_100009893438 [0,1,0,0,0,1|2,0,0]=4 2397 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000042424_100000698445 [0,1,0,0,0,1|2,0,0]=4 2398 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000698445_100000042424 [0,1,0,0,0,1|2,0,0]=4 2399 B11R0.145 CCC(=O)C(C)NOCC(=O)O 269956a_100000106656_100000742827 [0,1,0,0,0,1|2,0,0]=4 2400 B11R0.145 CCC(=O)C(C)OCCC(=O)C 7a_100000759926_100000742827 [0,1,0,0,0,1|2,0,0]=4 2401 B11R0.145 CCC(=O)C(C)OCCC(=O)N 7a_100000757172_100000742827 [0,1,0,0,0,1|2,0,0]=4 2402 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000053229_100000742827 [0,1,0,0,0,1|2,0,0]=4 2403 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000742827_100000053229 [0,1,0,0,0,1|2,0,0]=4 2404 B11R0.145 CCC(=O)C(C)SCCC(=O)N 62a_100000742827_100000744528 [0,1,0,0,0,1|2,0,0]=4 2405 B11R0.145 CCC(=O)C(C)SCCC(=O)N 62a_100000744528_100000742827 [0,1,0,0,0,1|2,0,0]=4 2406 B11R0.145 CNC(=O)C(=O)CCCC(=O)C 1458a_100011218921_100011215641 [0,1,0,0,0,1|2,0,0]=4 2407 B11R0.145 CNC(=O)C(=O)CCCC(=O)N 1458a_100011218921_100102525003 [0,1,0,0,0,1|2,0,0]=4 2408 B11R0.145 CNC(=O)C(C)CNCC(=O)N 2230a_100015187722_100000747473 [0,1,0,0,0,1|2,0,0]=4 2409 B11R0.145 CNC(=O)C(C)CNCC(=O)N 34a_100015187722_100000187820 [0,1,0,0,0,1|2,0,0]=4 2410 B11R0.145 CNC(=O)C(C)CNCC(=O)[O-] 34a_100015187722_100020667443 [0,1,0,0,0,1|1,0,1]=4 2411 B11R0.145 CNC(=O)C(C)NOCC(=O)O 269956a_100000106656_100000209862 [0,1,0,0,0,1|2,0,0]=4 2412 B11R0.145 CNC(=O)C(C)OCCC(=O)C 34a_100000759926_100000731044 [0,1,0,0,0,1|2,0,0]=4 2413 B11R0.145 CNC(=O)C(C)OCCC(=O)C 7a_100000759926_100000209862 [0,1,0,0,0,1|2,0,0]=4 2414 B11R0.145 CNC(=O)C(C)OCCC(=O)N 34a_100000757172_100000731044 [0,1,0,0,0,1|2,0,0]=4 2415 B11R0.145 CNC(=O)C(C)OCCC(=O)N 7a_100000757172_100000209862 [0,1,0,0,0,1|2,0,0]=4 2416 B11R0.145 CNC(=O)C(C)SCCC(=O)C 62a_100000053229_100000731044 [0,1,0,0,0,1|2,0,0]=4 2417 B11R0.145 CNC(=O)C(C)SCCC(=O)C 62a_100000209862_100000053229 [0,1,0,0,0,1|2,0,0]=4 2418 B11R0.145 CNC(=O)C(C)SCCC(=O)N 62a_100000209862_100000744528 [0,1,0,0,0,1|2,0,0]=4 2419 B11R0.145 CNC(=O)C(C)SCCC(=O)N 62a_100000744528_100000731044 [0,1,0,0,0,1|2,0,0]=4 2420 B11R0.145 CNC(=O)C(F)OCCC(=O)C 34a_100000759926_100009813575 [0,1,0,0,0,1|2,0,0]=4 2421 B11R0.145 CNC(=O)C(F)OCCC(=O)C 7a_100000759926_100009813575 [0,1,0,0,0,1|2,0,0]=4 2422 B11R0.145 CNC(=O)C(F)OCCC(=O)N 34a_100000757172_100009813575 [0,1,0,0,0,1|2,0,0]=4 2423 B11R0.145 CNC(=O)C(F)OCCC(=O)N 7a_100000757172_100009813575 [0,1,0,0,0,1|2,0,0]=4 2424 B11R0.145 CNC(=O)C(F)SCCC(=O)C 62a_100000053229_100009813575 [0,1,0,0,0,1|2,0,0]=4 2425 B11R0.145 CNC(=O)C(F)SCCC(=O)C 62a_100009813575_100000053229 [0,1,0,0,0,1|2,0,0]=4 2426 B11R0.145 CNC(=O)C(F)SCCC(=O)N 62a_100000744528_100009813575 [0,1,0,0,0,1|2,0,0]=4 2427 B11R0.145 CNC(=O)C(F)SCCC(=O)N 62a_100009813575_100000744528 [0,1,0,0,0,1|2,0,0]=4 2428 B11R0.145 CNC(=O)[C@@H](C)NCCC(=O)N 2230a_100000684985_100000744528 [0,1,0,0,0,1|2,0,0]=4 2429 B11R0.145 CNC(=O)[C@@H](C)NCCC(=O)N 34a_100000684985_100000731001 [0,1,0,0,0,1|2,0,0]=4 2430 B11R0.145 COC(=O)C(=O)COCC(=O)C 34a_100000211253_100011610305 [0,1,0,0,0,1|1,0,1]=4 2431 B11R0.145 COC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011610305 [0,1,0,0,0,1|1,0,1]=4 2432 B11R0.145 COC(=O)C(=O)CSCC(=O)N 62a_100011610305_100000747473 [0,1,0,0,0,1|1,0,1]=4 2433 B11R0.145 COC(=O)C(=O)CSCC(=O)[O-] 62a_100011610305_100020667443 [0,1,0,0,0,1|0,0,2]=4 2434 B11R0.145 COC(=O)C(=O)CSCC(=O)[O-] 62a_100020667443_100011610305 [0,1,0,0,0,1|0,0,2]=4 2435 B11R0.145 COC(=O)C(=O)NCCC(=O)N 11a_100000740010_100000024059 [0,1,0,0,0,1|1,0,1]=4 2436 B11R0.145 COC(=O)C(=O)NCCC(=O)N 240690a_100000740010_100000024059 [0,1,0,0,0,1|1,0,1]=4 2437 B11R0.145 COC(=O)C(=O)NCCC(=O)N 527a_100000740010_100000024059 [0,1,0,0,0,1|1,0,1]=4 2438 B11R0.145 COC(=O)C(C)CNCC(C)O 34a_100000210904_100000698445 [0,1,0,0,0,1|1,0,1]=4 2439 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [0,1,0,0,0,1|1,0,0]=3 2440 B11R0.145 COC(=O)C(C)COCC(=O)N 34a_100000749362_100000187820 [0,1,0,0,0,1|1,0,0]=3 2441 B11R0.145 COC(=O)C(C)COCC(=O)N 7a_100000749362_100000187820 [0,1,0,0,0,1|1,0,0]=3 2442 B11R0.145 COC(=O)C(C)COCC(=O)[O-] 34a_100000749362_100020667443 [0,1,0,0,0,1|0,0,1]=3 2443 B11R0.145 COC(=O)C(C)COCC(C)O 34a_100000749362_100011218427 [0,1,0,0,0,1|1,0,1]=4 2444 B11R0.145 COC(=O)C(C)COCC(C)O 7a_100000749362_100011218427 [0,1,0,0,0,1|1,0,1]=4 2445 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 34a_100000749362_100009817552 [0,1,0,0,0,1|1,0,1]=4 2446 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 7a_100000749362_100009817552 [0,1,0,0,0,1|1,0,1]=4 2447 B11R0.145 COC(=O)C(C)COC[N+](=O)[O-] 34a_100000749362_100000761209 [0,1,0,0,0,1|1,0,1]=4 2448 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [0,1,0,0,0,1|1,0,0]=3 2449 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [0,1,0,0,0,1|1,0,0]=3 2450 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [0,1,0,0,0,1|0,0,1]=3 2451 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [0,1,0,0,0,1|0,0,1]=3 2452 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100000698445_100011218427 [0,1,0,0,0,1|1,0,1]=4 2453 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100011218427_100000698445 [0,1,0,0,0,1|1,0,1]=4 2454 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100000698445_100009817552 [0,1,0,0,0,1|1,0,1]=4 2455 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100009817552_100000698445 [0,1,0,0,0,1|1,0,1]=4 2456 B11R0.145 COC(=O)C(C)CSC[N+](=O)[O-] 62a_100000698445_100000761209 [0,1,0,0,0,1|1,0,1]=4 2457 B11R0.145 COC(=O)C(C)NCCC(C)O 2230a_200000755665_100000211248 [0,1,0,0,0,1|1,0,1]=4 2458 B11R0.145 COC(=O)C(C)OCCC(=O)C 34a_100000759926_100000211248 [0,1,0,0,0,1|1,0,0]=3 2459 B11R0.145 COC(=O)C(C)OCCC(=O)C 7a_100000759926_100000211248 [0,1,0,0,0,1|1,0,0]=3 2460 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100000757172_100000211248 [0,1,0,0,0,1|1,0,0]=3 2461 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100011215400_100000731001 [0,1,0,0,0,1|1,0,0]=3 2462 B11R0.145 COC(=O)C(C)OCCC(=O)N 7a_100000757172_100000211248 [0,1,0,0,0,1|1,0,0]=3 2463 B11R0.145 COC(=O)C(C)OCCC(C)O 34a_100011215400_100012276601 [0,1,0,0,0,1|1,0,1]=4 2464 B11R0.145 COC(=O)C(C)OCOC(=O)C 34a_100011215400_100009813279 [0,1,0,0,0,1|2,0,0]=4 2465 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000053229_100000211248 [0,1,0,0,0,1|1,0,0]=3 2466 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000211248_100000053229 [0,1,0,0,0,1|1,0,0]=3 2467 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000211248_100000744528 [0,1,0,0,0,1|1,0,0]=3 2468 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000744528_100000211248 [0,1,0,0,0,1|1,0,0]=3 2469 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100000211248_100012276601 [0,1,0,0,0,1|1,0,1]=4 2470 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100012276601_100000211248 [0,1,0,0,0,1|1,0,1]=4 2471 B11R0.145 COC(=O)C(C)SCOC(=O)C 62a_100000076356_100000211248 [0,1,0,0,0,1|2,0,0]=4 2472 B11R0.145 COC(=O)C(C)SCOC(=O)C 62a_100000211248_100000076356 [0,1,0,0,0,1|2,0,0]=4 2473 B11R0.145 COC(=O)C(F)COCC(=O)N 34a_200009849844_100000187820 [0,1,0,0,0,1|1,0,0]=3 2474 B11R0.145 COC(=O)C(F)COCC(=O)[O-] 34a_200009849844_100020667443 [0,1,0,0,0,1|0,0,1]=3 2475 B11R0.145 COC(=O)C(F)COCC(C)O 34a_200009849844_100011218427 [0,1,0,0,0,1|1,0,1]=4 2476 B11R0.145 COC(=O)C(F)COC[C@@H](C)O 34a_200009849844_100009817552 [0,1,0,0,0,1|1,0,1]=4 2477 B11R0.145 COC(=O)C(F)COC[N+](=O)[O-] 34a_200009849844_100000761209 [0,1,0,0,0,1|1,0,1]=4 2478 B11R0.145 COC(=O)N(C)CCCC(=O)C 1458a_100000752137_200000210301 [0,1,0,0,0,1|1,0,0]=3 2479 B11R0.145 COC(=O)N(C)CCCC(=O)[13CH3] 1458a_100000752137_200025704644 [0,1,0,0,0,1|1,0,0]=3 2480 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [0,1,0,0,0,1|1,0,0]=3 2481 B11R0.145 COC(=O)[C@H](N)COCC(=O)[O-] 34a_100000003586_100020667443 [0,1,0,0,0,1|0,0,1]=3 2482 B11R0.145 COC(=O)[C@H](N)COCC(C)O 34a_100000003586_100011218427 [0,1,0,0,0,1|1,0,1]=4 2483 B11R0.145 COC(=O)[C@H](N)COC[C@@H](C)O 34a_100000003586_100009817552 [0,1,0,0,0,1|1,0,1]=4 2484 B11R0.145 COC(=O)[C@H](N)COC[N+](=O)[O-] 34a_100000003586_100000761209 [0,1,0,0,0,1|1,0,1]=4 2485 B11R0.145 COC(C)N(C)CCCC(=O)O 269956a_100000719178_100009879195 [0,1,0,0,0,1|1,0,1]=4 2486 B11R0.176 C=C(Br)CCOCC(=O)OCC 34a_100009813270_100000188475 [0,1,0,0,0,1|2,0,0]=4 2487 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,1,0,0,0,1|2,0,0]=4 2488 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [0,1,0,0,0,1|2,0,0]=4 2489 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [0,1,0,0,0,1|2,0,0]=4 2490 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,1,0,0,0,1|2,0,0]=4 2491 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [0,1,0,0,0,1|2,0,0]=4 2492 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [0,1,0,0,0,1|2,0,0]=4 2493 B11R0.176 C=C(F)COCCC(=O)OCC 34a_200010262243_100000765890 [0,1,0,0,0,1|2,0,0]=4 2494 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000042424_100000765890 [0,1,0,0,0,1|2,0,0]=4 2495 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000765890_100000042424 [0,1,0,0,0,1|2,0,0]=4 2496 B11R0.176 C=COC(=O)CNOCC(=O)O 269956a_100000106656_100000036128 [0,1,0,0,0,1|1,0,1]=4 2497 B11R0.176 C=COC(=O)COCCC(=O)C 34a_100000759926_100000036128 [0,1,0,0,0,1|1,0,1]=4 2498 B11R0.176 C=COC(=O)COCCC(=O)N 34a_100000757172_100000036128 [0,1,0,0,0,1|1,0,1]=4 2499 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000036128_100000053229 [0,1,0,0,0,1|1,0,1]=4 2500 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000053229_100000036128 [0,1,0,0,0,1|1,0,1]=4 2501 B11R0.176 C=COC(=O)CSCCC(=O)N 62a_100000036128_100000744528 [0,1,0,0,0,1|1,0,1]=4 2502 B11R0.176 C=COC(=O)CSCCC(=O)N 62a_100000744528_100000036128 [0,1,0,0,0,1|1,0,1]=4 2503 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [0,1,0,0,0,1|2,0,0]=4 2504 B11R0.176 CC#CC(=O)CCCOC(=O)C 1458a_100000763181_100000042594 [0,1,0,0,0,1|2,0,0]=4 2505 B11R0.176 CC#CC(=O)CCCSC(=O)C 1458a_100000763181_100000038929 [0,1,0,0,0,1|2,0,0]=4 2506 B11R0.176 CC#CC(=O)CCOCC(=O)N 1458a_100000763181_100000076697 [0,1,0,0,0,1|2,0,0]=4 2507 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,1,0,0,0,1|2,0,0]=4 2508 B11R0.176 CC(=O)CCOCC(=O)NCO 34a_100000759926_100000185155 [0,1,0,0,0,1|2,0,0]=4 2509 B11R0.176 CC(=O)CCOCC(=O)NCO 7a_100000759926_100000185155 [0,1,0,0,0,1|2,0,0]=4 2510 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000053229_100000185155 [0,1,0,0,0,1|2,0,0]=4 2511 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000185155_100000053229 [0,1,0,0,0,1|2,0,0]=4 2512 B11R0.176 CC(=O)NCCCC(=O)CCF 1458a_100000194741_100011217306 [0,1,0,0,0,1|2,0,0]=4 2513 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [0,1,0,0,0,1|2,0,0]=4 2514 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,1,0,0,0,1|2,0,0]=4 2515 B11R0.176 CC(=O)SCCCC(=O)CCO 1458a_100011216618_100000038929 [0,1,0,0,0,1|2,0,0]=4 2516 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,1,0,0,0,1|2,0,0]=4 2517 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,1,0,0,0,1|2,0,0]=4 2518 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [0,1,0,0,0,1|2,0,0]=4 2519 B11R0.176 CC=CC(=O)CCOCC(=O)N 1458a_100000210699_100000076697 [0,1,0,0,0,1|2,0,0]=4 2520 B11R0.176 CC=CC(=O)NCCCC(=O)N 240690a_100000739312_100000210699 [0,1,0,0,0,1|2,0,0]=4 2521 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,1,0,0,0,1|2,0,0]=4 2522 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,1,0,0,0,1|2,0,0]=4 2523 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,1,0,0,0,1|2,0,0]=4 2524 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,1,0,0,0,1|2,0,0]=4 2525 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,1,0,0,0,1|2,0,0]=4 2526 B11R0.176 CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210303 [0,1,0,0,0,1|2,0,0]=4 2527 B11R0.176 CCCC(=O)CNOCC(=O)O 269956a_100000106656_100000747444 [0,1,0,0,0,1|2,0,0]=4 2528 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,1,0,0,0,1|2,0,0]=4 2529 B11R0.176 CCCC(=O)COCCC(=O)N 7a_100000757172_100000747444 [0,1,0,0,0,1|2,0,0]=4 2530 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,1,0,0,0,1|2,0,0]=4 2531 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,1,0,0,0,1|2,0,0]=4 2532 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000744528_100000747444 [0,1,0,0,0,1|2,0,0]=4 2533 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000747444_100000744528 [0,1,0,0,0,1|2,0,0]=4 2534 B11R0.176 CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211992 [0,1,0,0,0,1|2,0,0]=4 2535 B11R0.176 CCCC(=O)NCCCC(=O)N 527a_100000739312_100000211992 [0,1,0,0,0,1|2,0,0]=4 2536 B11R0.176 CCCC(=O)OCNCC(=O)O 269956a_100016091260_100000034017 [0,1,0,0,0,1|2,0,0]=4 2537 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,1,0,0,0,1|2,0,0]=4 2538 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,1,0,0,0,1|2,0,0]=4 2539 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,1,0,0,0,1|2,0,0]=4 2540 B11R0.176 CCNC(=O)CCNCC(=O)N 2230a_100000711301_100000737597 [0,1,0,0,0,1|2,0,0]=4 2541 B11R0.176 CCNC(=O)CCNCC(=O)N 34a_100025743525_100000187820 [0,1,0,0,0,1|2,0,0]=4 2542 B11R0.176 CCNC(=O)CCNCC(=O)O 269956a_100016091260_100000737597 [0,1,0,0,0,1|1,0,0]=3 2543 B11R0.176 CCNC(=O)CCNCC(=O)[O-] 34a_100025743525_100020667443 [0,1,0,0,0,1|1,0,1]=4 2544 B11R0.176 CCNC(=O)CCSCC(=O)N 11a_100015525214_100000148550 [0,1,0,0,0,1|2,0,0]=4 2545 B11R0.176 CCNC(=O)CCSCC(=O)N 240690a_100015525214_100000148550 [0,1,0,0,0,1|2,0,0]=4 2546 B11R0.176 CCNC(=O)CCSCC(=O)N 527a_100015525214_100000148550 [0,1,0,0,0,1|2,0,0]=4 2547 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000737597_100000747473 [0,1,0,0,0,1|2,0,0]=4 2548 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000747473_100000737597 [0,1,0,0,0,1|2,0,0]=4 2549 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100000737597_100020667443 [0,1,0,0,0,1|1,0,1]=4 2550 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737597 [0,1,0,0,0,1|1,0,1]=4 2551 B11R0.176 CCNC(=O)CNCCC(=O)N 2230a_100016988866_100000744528 [0,1,0,0,0,1|2,0,0]=4 2552 B11R0.176 CCNC(=O)CNOCC(=O)O 269956a_100000106656_100000183381 [0,1,0,0,0,1|2,0,0]=4 2553 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,1,0,0,0,1|2,0,0]=4 2554 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,1,0,0,0,1|2,0,0]=4 2555 B11R0.176 CCNC(=O)COCCC(=O)N 34a_100000757172_100000183381 [0,1,0,0,0,1|2,0,0]=4 2556 B11R0.176 CCNC(=O)COCCC(=O)N 7a_100000757172_100000183381 [0,1,0,0,0,1|2,0,0]=4 2557 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,1,0,0,0,1|2,0,0]=4 2558 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,1,0,0,0,1|2,0,0]=4 2559 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000183381_100000744528 [0,1,0,0,0,1|2,0,0]=4 2560 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000744528_100000183381 [0,1,0,0,0,1|2,0,0]=4 2561 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100000739312_100015525214 [0,1,0,0,0,1|2,0,0]=4 2562 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100015525214_100000739312 [0,1,0,0,0,1|2,0,0]=4 2563 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100000739312_100015525214 [0,1,0,0,0,1|2,0,0]=4 2564 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100015525214_100000739312 [0,1,0,0,0,1|2,0,0]=4 2565 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,1,0,0,0,1|1,0,0]=3 2566 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,1,0,0,0,1|1,0,0]=3 2567 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,1,0,0,0,1|1,0,0]=3 2568 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,1,0,0,0,1|1,0,0]=3 2569 B11R0.176 CCOC(=O)CCNCC(=O)N 2230a_100000711301_100011206558 [0,1,0,0,0,1|1,0,0]=3 2570 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,1,0,0,0,1|0,0,0]=2 2571 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,1,0,0,0,1|1,0,1]=4 2572 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,1,0,0,0,1|1,0,1]=4 2573 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,1,0,0,0,1|1,0,0]=3 2574 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000747473_100000765890 [0,1,0,0,0,1|1,0,0]=3 2575 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000765890_100000747473 [0,1,0,0,0,1|1,0,0]=3 2576 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100000765890_100020667443 [0,1,0,0,0,1|0,0,1]=3 2577 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100020667443_100000765890 [0,1,0,0,0,1|0,0,1]=3 2578 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,1,0,0,0,1|1,0,1]=4 2579 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,1,0,0,0,1|1,0,1]=4 2580 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,1,0,0,0,1|1,0,1]=4 2581 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,1,0,0,0,1|1,0,1]=4 2582 B11R0.176 CCOC(=O)CCSC[N+](=O)[O-] 62a_100000765890_100000761209 [0,1,0,0,0,1|1,0,1]=4 2583 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,1,0,0,0,1|1,0,1]=4 2584 B11R0.176 CCOC(=O)CNOCC(=O)O 269956a_100000106656_100000188475 [0,1,0,0,0,1|1,0,0]=3 2585 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,1,0,0,0,1|1,0,0]=3 2586 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,1,0,0,0,1|1,0,0]=3 2587 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,1,0,0,0,1|1,0,0]=3 2588 B11R0.176 CCOC(=O)COCCC(=O)N 34a_100000757172_100000188475 [0,1,0,0,0,1|1,0,0]=3 2589 B11R0.176 CCOC(=O)COCCC(=O)N 7a_100000757172_100000188475 [0,1,0,0,0,1|1,0,0]=3 2590 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,1,0,0,0,1|1,0,0]=3 2591 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,1,0,0,0,1|1,0,0]=3 2592 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000188475_100000744528 [0,1,0,0,0,1|1,0,0]=3 2593 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000744528_100000188475 [0,1,0,0,0,1|1,0,0]=3 2594 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,1,0,0,0,1|1,0,1]=4 2595 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,1,0,0,0,1|1,0,1]=4 2596 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,1,0,0,0,1|2,0,0]=4 2597 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,1,0,0,0,1|2,0,0]=4 2598 B11R0.176 CCOC(=O)OCSCC(=O)N 62a_100000747473_100000075025 [0,1,0,0,0,1|2,0,0]=4 2599 B11R0.176 CCOC(=O)OCSCC(=O)[O-] 62a_100020667443_100000075025 [0,1,0,0,0,1|1,0,1]=4 2600 B11R0.176 CNNC(=O)CCCNC(=O)C 22a_100016993582_100000194741 [0,1,0,0,0,1|2,0,0]=4 2601 B11R0.176 CNNC(=O)CCSCC(=O)N 22a_100016993582_100000148550 [0,1,0,0,0,1|2,0,0]=4 2602 B11R0.176 CNNC(=O)NCCCC(=O)N 273464a_100000739312_100016993582 [0,1,0,0,0,1|2,0,0]=4 2603 B11R0.176 CNNC(=O)NCCCC(=O)N 512a_100000739312_100016993582 [0,1,0,0,0,1|2,0,0]=4 2604 B11R0.176 CNNC(=O)NCCCC(=O)N 512a_100016993582_100000739312 [0,1,0,0,0,1|2,0,0]=4 2605 B11R0.176 COCC(=O)CCCCB(O)O 1458a_100000210968_200009817182 [0,1,0,0,0,1|1,0,1]=4 2606 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,1,0,0,0,1|1,0,0]=3 2607 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,1,0,0,0,1|1,0,0]=3 2608 B11R0.176 COCC(=O)CCCOC(=S)C 1458a_100000210968_200135323944 [0,1,0,0,0,1|1,1,0]=4 2609 B11R0.176 COCC(=O)CCCSC(=O)C 1458a_100000210968_100000038929 [0,1,0,0,0,1|1,0,0]=3 2610 B11R0.176 COCC(=O)CCOCC(=O)N 1458a_100000210968_100000076697 [0,1,0,0,0,1|1,0,0]=3 2611 B11R0.176 COCC(=O)NCCCC(=O)N 240690a_100000739312_100000210968 [0,1,0,0,0,1|1,0,0]=3 2612 B11R0.176 COCC(=O)NCCCC(=O)N 527a_100000739312_100000210968 [0,1,0,0,0,1|1,0,0]=3 2613 B11R0.176 COCC(=O)NCCCS(=O)C 11a_200000753449_100000210968 [0,1,0,0,0,1|2,0,0]=4 2614 B11R0.176 COCC(=O)NCCCS(=O)C 240690a_200000753449_100000210968 [0,1,0,0,0,1|2,0,0]=4 2615 B11R0.176 COCC(=O)NCCCS(=O)C 527a_200000753449_100000210968 [0,1,0,0,0,1|2,0,0]=4 2616 B11R0.176 COCC(=O)NCCNC(=O)C 240690a_100000209853_100000210968 [0,1,0,0,0,1|2,0,0]=4 2617 B11R0.176 COCC(=O)NCCNC(=O)C 527a_100000209853_100000210968 [0,1,0,0,0,1|2,0,0]=4 2618 B11R0.176 COCC(=O)NCCNC(=O)N 240690a_100020590234_100000210968 [0,1,0,0,0,1|2,0,0]=4 2619 B11R0.176 COCC(=O)NCCNC(=O)N 527a_100020590234_100000210968 [0,1,0,0,0,1|2,0,0]=4 2620 B11R0.176 COCC(=O)NCCOC(=O)C 11a_100000724843_100000210968 [0,1,0,0,0,1|2,0,0]=4 2621 B11R0.176 COCC(=O)NCCOC(=O)C 240690a_100000724843_100000210968 [0,1,0,0,0,1|2,0,0]=4 2622 B11R0.176 COCC(=O)NCCOC(=O)C 527a_100000724843_100000210968 [0,1,0,0,0,1|2,0,0]=4 2623 B11R0.176 COCC(=O)NCCSC(=O)C 11a_100020647217_100000210968 [0,1,0,0,0,1|2,0,0]=4 2624 B11R0.176 COCC(=O)NCCSC(=O)C 240690a_100020647217_100000210968 [0,1,0,0,0,1|2,0,0]=4 2625 B11R0.176 COCC(=O)NCCSC(=O)C 527a_100020647217_100000210968 [0,1,0,0,0,1|2,0,0]=4 2626 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,1,0,0,0,1|1,1,0]=4 2627 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [0,1,0,0,0,1|1,1,0]=4 2628 B11R0.176 CSCC(=O)CCCSC(=O)C 1458a_100000184570_100000038929 [0,1,0,0,0,1|1,1,0]=4 2629 B11R0.176 CSCC(=O)CCOCC(=O)N 1458a_100000184570_100000076697 [0,1,0,0,0,1|1,1,0]=4 2630 B11R0.176 CSCC(=O)NCCCC(=O)N 240690a_100000739312_100000184570 [0,1,0,0,0,1|1,1,0]=4 2631 B11R0.176 CSCC(=O)NCCCC(=O)N 527a_100000739312_100000184570 [0,1,0,0,0,1|1,1,0]=4 2632 B11R0.176 NC(=O)CCCNC(=O)CCO 240690a_100000739312_100011216618 [0,1,0,0,0,1|2,0,0]=4 2633 B11R0.176 NC(=O)CCOCC(=O)NCO 34a_100000757172_100000185155 [0,1,0,0,0,1|2,0,0]=4 2634 B11R0.176 NC(=O)CCOCC(=O)NCO 7a_100000757172_100000185155 [0,1,0,0,0,1|2,0,0]=4 2635 B11R0.176 NC(=O)CCSCC(=O)NCO 62a_100000185155_100000744528 [0,1,0,0,0,1|2,0,0]=4 2636 B11R0.176 NC(=O)CCSCC(=O)NCO 62a_100000744528_100000185155 [0,1,0,0,0,1|2,0,0]=4 2637 B11R0.176 NC(=O)COCCC(=O)CCO 1458a_100011216618_100000076697 [0,1,0,0,0,1|2,0,0]=4 2638 B11R0.176 NC(=O)CSCCC(=O)CCF 1458a_100000148550_100011217306 [0,1,0,0,0,1|2,0,0]=4 2639 B11R0.176 NC(=O)CSCCC(=O)CCO 1458a_100000148550_100000211926 [0,1,0,0,0,1|2,0,0]=4 2640 B11R0.176 O=C(O)CONCC(=O)NCO 269956a_100000106656_100000185155 [0,1,0,0,0,1|2,0,0]=4 2641 B11R0.1 C=COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000036128 [0,2,0,0,0,0|1,0,1]=4 2642 B11R0.1 CCCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747444 [0,2,0,0,0,0|2,0,0]=4 2643 B11R0.1 CCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183381 [0,2,0,0,0,0|2,0,0]=4 2644 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100000243816_100000187820 [0,2,0,0,0,0|1,0,1]=4 2645 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000188475 [0,2,0,0,0,0|1,0,1]=4 2646 B11R0.1 CCOC(=O)CC(=O)CC(=O)[O-] 1458a_100000243816_100020667443 [0,2,0,0,0,0|0,0,2]=4 2647 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,2,0,0,0,0|2,0,0]=4 2648 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000220588_100000747473 [0,2,0,0,0,0|2,0,0]=4 2649 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000739694_100000188475 [0,2,0,0,0,0|2,0,0]=4 2650 B11R0.1 CCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000188475 [0,2,0,0,0,0|1,0,0]=3 2651 B11R0.1 CN(CC(=O)O)CC(=O)NCO 269956a_100000746989_100000185155 [0,2,0,0,0,0|2,0,0]=4 2652 B11R0.6 CC(=CC(=O)CCCC(=O)N)C 1458a_100000211388_100102525003 [0,2,0,0,0,0|2,0,0]=4 2653 B11R0.6 CC(=CC(=O)CCCC(=O)N)Cl 1458a_200042562850_100102525003 [0,2,0,0,0,0|2,0,0]=4 2654 B11R0.6 CC(=CC(=O)CCCC(=O)N)I 1458a_100025716642_100102525003 [0,2,0,0,0,0|2,0,0]=4 2655 B11R0.6 CC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011215641 [0,2,0,0,0,0|2,0,0]=4 2656 B11R0.6 CC(=O)CCCC(=O)C=C(C)Cl 1458a_200042562850_100011215641 [0,2,0,0,0,0|2,0,0]=4 2657 B11R0.6 CC(=O)CCCC(=O)C=C(C)I 1458a_100025716642_100011215641 [0,2,0,0,0,0|2,0,0]=4 2658 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,2,0,0,0,0|2,0,0]=4 2659 B11R0.6 CC(=O)CCCC(=O)CN(C)C 1458a_100000750896_100011215641 [0,2,0,0,0,0|2,0,0]=4 2660 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,2,0,0,0,0|2,0,0]=4 2661 B11R0.6 CC(=O)CCCC(=O)C[S+](C)C 1458a_200159257847_100011215641 [0,2,0,0,0,0|1,1,0]=4 2662 B11R0.6 CC(=O)COCC(=O)OC(C)C 34a_100000211253_100011215430 [0,2,0,0,0,0|2,0,0]=4 2663 B11R0.6 CC(=O)NC(=O)CNCC(=O)O 269956a_100016091260_100000183797 [0,2,0,0,0,0|2,0,0]=4 2664 B11R0.6 CC(C)CC(=O)CCCC(=O)N 1458a_100000210554_100102525003 [0,2,0,0,0,0|2,0,0]=4 2665 B11R0.6 CC(C)NC(=O)CNCC(=O)O 269956a_100016091260_100000183996 [0,2,0,0,0,0|2,0,0]=4 2666 B11R0.6 CC(C)OC(=O)CNCC(=O)N 2230a_100000711301_100011215430 [0,2,0,0,0,0|2,0,0]=4 2667 B11R0.6 CC(C)OC(=O)CNCC(=O)O 269956a_100016091260_100011215430 [0,2,0,0,0,0|1,0,0]=3 2668 B11R0.6 CC(C)OC(=O)CSCC(=O)N 62a_100000747473_100011215430 [0,2,0,0,0,0|2,0,0]=4 2669 B11R0.6 CC(C)OC(=O)CSCC(=O)N 62a_100011215430_100000747473 [0,2,0,0,0,0|2,0,0]=4 2670 B11R0.6 CC(C)OC(=O)CSCC(=O)[O-] 62a_100011215430_100020667443 [0,2,0,0,0,0|1,0,1]=4 2671 B11R0.6 CC(C)OC(=O)CSCC(=O)[O-] 62a_100020667443_100011215430 [0,2,0,0,0,0|1,0,1]=4 2672 B11R0.6 CN(C)CC(=O)CCCC(=O)N 1458a_100000750896_100102525003 [0,2,0,0,0,0|2,0,0]=4 2673 B11R0.6 C[C@@H](O)CC(=O)CCCC(=O)N 1458a_100011933948_100102525003 [0,2,0,0,0,0|2,0,0]=4 2674 B11R0.6 C[S+](C)CC(=O)CCCC(=O)N 1458a_200159257847_100102525003 [0,2,0,0,0,0|1,1,0]=4 2675 B11R0.59 CCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000230173 [0,2,0,0,0,0|2,0,0]=4 2676 B11R0.59 CCOC(=O)C(C)NCC(=O)N 2230a_100000711301_100011215307 [0,2,0,0,0,0|2,0,0]=4 2677 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [0,2,0,0,0,0|2,0,0]=4 2678 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100000747473_100011216346 [0,2,0,0,0,0|2,0,0]=4 2679 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100011216346_100000747473 [0,2,0,0,0,0|2,0,0]=4 2680 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100011216346_100020667443 [0,2,0,0,0,0|1,0,1]=4 2681 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100011216346 [0,2,0,0,0,0|1,0,1]=4 2682 B11R0.59 CCOC(=O)C(F)NCC(=O)N 2230a_100000711301_100000760018 [0,2,0,0,0,0|2,0,0]=4 2683 B11R0.59 CCOC(=O)C(F)OCC(=O)C 34a_100000211253_100000760018 [0,2,0,0,0,0|2,0,0]=4 2684 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000747473_100000760018 [0,2,0,0,0,0|2,0,0]=4 2685 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000760018_100000747473 [0,2,0,0,0,0|2,0,0]=4 2686 B11R0.59 CCOC(=O)C(F)SCC(=O)[O-] 62a_100000760018_100020667443 [0,2,0,0,0,0|1,0,1]=4 2687 B11R0.59 CCOC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100000760018 [0,2,0,0,0,0|1,0,1]=4 2688 B11R0.59 CCOC(=O)[C@H](C)OCC(=O)N 7a_100000751109_100000187820 [0,2,0,0,0,0|2,0,0]=4 2689 B11R0.59 COCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210968 [0,2,0,0,0,0|2,0,0]=4 2690 B11R0.59 COCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210968 [0,2,0,0,0,0|2,0,0]=4 2691 B11R0.59 COCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210968 [0,2,0,0,0,0|2,0,0]=4 2692 B11R0.141 C=COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000036128 [0,2,0,0,0,0|1,0,1]=4 2693 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747444 [0,2,0,0,0,0|2,0,0]=4 2694 B11R0.141 CCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183381 [0,2,0,0,0,0|2,0,0]=4 2695 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,2,0,0,0,0|1,0,0]=3 2696 B11R0.141 CCOC(=O)CCN(C)C(=O)C 11a_100000745921_100015343762 [0,2,0,0,0,0|2,0,0]=4 2697 B11R0.141 CCOC(=O)CCN(C)C(=O)C 1626a_100000745921_100015343762 [0,2,0,0,0,0|2,0,0]=4 2698 B11R0.141 CCOC(=O)CCN(C)C(=O)C 240690a_100000745921_100015343762 [0,2,0,0,0,0|2,0,0]=4 2699 B11R0.141 CCOC(=O)CCN(C)C(=O)C 527a_100000745921_100103153847 [0,2,0,0,0,0|2,0,0]=4 2700 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,2,0,0,0,0|1,0,0]=3 2701 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000188475 [0,2,0,0,0,0|2,0,0]=4 2702 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000188475 [0,2,0,0,0,0|2,0,0]=4 2703 B11R0.141 CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000188475 [0,2,0,0,0,0|2,0,0]=4 2704 B11R0.141 CCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000188475 [0,2,0,0,0,0|1,0,1]=4 2705 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000188475 [0,2,0,0,0,0|2,0,0]=4 2706 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000188475 [0,2,0,0,0,0|2,0,0]=4 2707 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100000188475_100009814033 [0,2,0,0,0,0|2,0,0]=4 2708 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000188475 [0,2,0,0,0,0|2,0,0]=4 2709 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000188475_100000702099 [0,2,0,0,0,0|2,0,0]=4 2710 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000702099_100000188475 [0,2,0,0,0,0|2,0,0]=4 2711 B11R0.141 CCOC(=O)CSC(F)C(=O)N 62a_100000188475_100009813875 [0,2,0,0,0,0|2,0,0]=4 2712 B11R0.141 CCOC(=O)CSC(F)C(=O)N 62a_100009813875_100000188475 [0,2,0,0,0,0|2,0,0]=4 2713 B11R0.141 CCOC(=O)CSC(F)C(=O)[O-] 62a_100000188475_100020610796 [0,2,0,0,0,0|1,0,1]=4 2714 B11R0.141 CCOC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000188475 [0,2,0,0,0,0|1,0,1]=4 2715 B11R0.141 C[C@H](NCC(=O)NCO)C(=O)O 269956a_100000743915_100000185155 [0,2,0,0,0,0|2,0,0]=4 2716 B11R0.147 C#CCCC(=O)CCCC(=O)C 1458a_100000692101_100011215641 [0,2,0,0,0,0|2,0,0]=4 2717 B11R0.147 C#CCCC(=O)CCCC(=O)N 1458a_100000692101_100102525003 [0,2,0,0,0,0|2,0,0]=4 2718 B11R0.147 C=C(CNCC(=O)O)OCOC 269956a_100016091260_100000042856 [0,2,0,0,0,0|2,0,0]=4 2719 B11R0.147 C=CCCC(=O)CCCC(=O)C 1458a_100000749702_100011215641 [0,2,0,0,0,0|2,0,0]=4 2720 B11R0.147 C=CCCC(=O)CCCC(=O)N 1458a_100000749702_100102525003 [0,2,0,0,0,0|2,0,0]=4 2721 B11R0.147 C=CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183597 [0,2,0,0,0,0|2,0,0]=4 2722 B11R0.147 C=CCOC(=O)CNCC(=O)N 2230a_100000711301_100000033060 [0,2,0,0,0,0|2,0,0]=4 2723 B11R0.147 C=CCOC(=O)CNCC(=O)O 269956a_100016091260_100000033060 [0,2,0,0,0,0|1,0,0]=3 2724 B11R0.147 C=CCOC(=O)COCC(=O)C 34a_100000211253_100000033060 [0,2,0,0,0,0|2,0,0]=4 2725 B11R0.147 C=CCOC(=O)CSCC(=O)N 62a_100000033060_100000747473 [0,2,0,0,0,0|2,0,0]=4 2726 B11R0.147 C=CCOC(=O)CSCC(=O)N 62a_100000747473_100000033060 [0,2,0,0,0,0|2,0,0]=4 2727 B11R0.147 C=CCOC(=O)CSCC(=O)[O-] 62a_100000033060_100020667443 [0,2,0,0,0,0|1,0,1]=4 2728 B11R0.147 C=CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000033060 [0,2,0,0,0,0|1,0,1]=4 2729 B11R0.147 CC(=O)CCCC(=O)C#CCO 1458a_100000049017_100011215641 [0,2,0,0,0,0|2,0,0]=4 2730 B11R0.147 CC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011215641 [0,2,0,0,0,0|2,0,0]=4 2731 B11R0.147 CC=CCC(=O)CCCC(=O)C 1458a_100121576822_100011215641 [0,2,0,0,0,0|2,0,0]=4 2732 B11R0.147 CC=CCC(=O)CCCC(=O)N 1458a_100121576822_100102525003 [0,2,0,0,0,0|2,0,0]=4 2733 B11R0.147 CCC#CC(=O)CCCC(=O)C 1458a_100011827653_100011215641 [0,2,0,0,0,0|2,0,0]=4 2734 B11R0.147 CCC#CC(=O)CCCC(=O)N 1458a_100011827653_100102525003 [0,2,0,0,0,0|2,0,0]=4 2735 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,2,0,0,0,0|2,0,0]=4 2736 B11R0.147 CCC=CC(=O)CCCC(=O)N 1458a_100000212282_100102525003 [0,2,0,0,0,0|2,0,0]=4 2737 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|2,0,0]=4 2738 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,2,0,0,0,0|2,0,0]=4 2739 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,2,0,0,0,0|2,0,0]=4 2740 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,2,0,0,0,0|2,0,0]=4 2741 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,2,0,0,0,0|2,0,0]=4 2742 B11R0.147 CCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183358 [0,2,0,0,0,0|2,0,0]=4 2743 B11R0.147 CCCOC(=O)CNCC(=O)N 2230a_100000711301_200011215008 [0,2,0,0,0,0|2,0,0]=4 2744 B11R0.147 CCCOC(=O)CNCC(=O)O 269956a_100016091260_200011215008 [0,2,0,0,0,0|1,0,0]=3 2745 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [0,2,0,0,0,0|2,0,0]=4 2746 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_100000747473_200011215008 [0,2,0,0,0,0|2,0,0]=4 2747 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_200011215008_100000747473 [0,2,0,0,0,0|2,0,0]=4 2748 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200011215008 [0,2,0,0,0,0|1,0,1]=4 2749 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_200011215008_100020667443 [0,2,0,0,0,0|1,0,1]=4 2750 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,2,0,0,0,0|1,0,0]=3 2751 B11R0.147 CCOCC(=O)CCCC(=O)N 1458a_100000211967_100102525003 [0,2,0,0,0,0|1,0,0]=3 2752 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,2,0,0,0,0|1,0,1]=4 2753 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,2,0,0,0,0|2,0,0]=4 2754 B11R0.147 CCOCC(=O)CCNC(=O)N 1458a_100000211967_200000034859 [0,2,0,0,0,0|2,0,0]=4 2755 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,2,0,0,0,0|2,0,0]=4 2756 B11R0.147 CCOCC(=O)CCOC(=O)N 1458a_100000211967_200011214921 [0,2,0,0,0,0|2,0,0]=4 2757 B11R0.147 CCOCC(=O)NCCC(=O)N 11a_100000740010_100000211967 [0,2,0,0,0,0|2,0,0]=4 2758 B11R0.147 CCOCC(=O)NCCC(=O)N 240690a_100000740010_100000211967 [0,2,0,0,0,0|2,0,0]=4 2759 B11R0.147 CCOCC(=O)NCCC(=O)N 527a_100000740010_100000211967 [0,2,0,0,0,0|2,0,0]=4 2760 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [0,2,0,0,0,0|2,0,0]=4 2761 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,2,0,0,0,0|1,1,0]=4 2762 B11R0.147 CCSCC(=O)CCCC(=O)N 1458a_100000230394_100102525003 [0,2,0,0,0,0|1,1,0]=4 2763 B11R0.147 COC=CC(=O)CCCC(=O)C 1458a_100016268678_100011215641 [0,2,0,0,0,0|1,0,0]=3 2764 B11R0.147 COC=CC(=O)CCCC(=O)N 1458a_100016268678_100102525003 [0,2,0,0,0,0|1,0,0]=3 2765 B11R0.147 COC=CC(=O)CCCC(C)O 1458a_100016268678_200000718107 [0,2,0,0,0,0|1,0,1]=4 2766 B11R0.147 COC=CC(=O)CCNC(=O)C 1458a_100016268678_100000189650 [0,2,0,0,0,0|2,0,0]=4 2767 B11R0.147 COC=CC(=O)CCNC(=O)N 1458a_100016268678_200000034859 [0,2,0,0,0,0|2,0,0]=4 2768 B11R0.147 COC=CC(=O)CCOC(=O)C 1458a_100016268678_100009814007 [0,2,0,0,0,0|2,0,0]=4 2769 B11R0.147 COC=CC(=O)CCOC(=O)N 1458a_100016268678_200011214921 [0,2,0,0,0,0|2,0,0]=4 2770 B11R0.147 COC=CC(=O)NCCC(=O)N 240690a_100000740010_100016268678 [0,2,0,0,0,0|2,0,0]=4 2771 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,2,0,0,0,0|1,0,0]=3 2772 B11R0.147 COCCC(=O)CCCC(=O)N 1458a_100000749529_100102525003 [0,2,0,0,0,0|1,0,0]=3 2773 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,2,0,0,0,0|1,0,1]=4 2774 B11R0.147 COCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000233755 [0,2,0,0,0,0|1,0,1]=4 2775 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000183196_100000233755 [0,2,0,0,0,0|2,0,0]=4 2776 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000749529_100000189650 [0,2,0,0,0,0|2,0,0]=4 2777 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000181464_100000233755 [0,2,0,0,0,0|2,0,0]=4 2778 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000749529_200000034859 [0,2,0,0,0,0|2,0,0]=4 2779 B11R0.147 COCCC(=O)CCOC(=O)C 1458a_100000749529_100009814007 [0,2,0,0,0,0|2,0,0]=4 2780 B11R0.147 COCCC(=O)CCOC(=O)N 1458a_100000749529_200011214921 [0,2,0,0,0,0|2,0,0]=4 2781 B11R0.147 COCCC(=O)CCSC(=O)C 1458a_100000048949_100000233755 [0,2,0,0,0,0|2,0,0]=4 2782 B11R0.147 COCCC(=O)COCC(=O)N 1458a_100011219004_100000233755 [0,2,0,0,0,0|2,0,0]=4 2783 B11R0.147 COCCC(=O)NCCC(=O)N 11a_100000740010_100000749529 [0,2,0,0,0,0|2,0,0]=4 2784 B11R0.147 COCCC(=O)NCCC(=O)N 240690a_100000740010_100000749529 [0,2,0,0,0,0|2,0,0]=4 2785 B11R0.147 COCCC(=O)NCCC(=O)N 527a_100000740010_100000749529 [0,2,0,0,0,0|2,0,0]=4 2786 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [0,2,0,0,0,0|2,0,0]=4 2787 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,2,0,0,0,0|1,1,0]=4 2788 B11R0.147 CSCCC(=O)CCCC(=O)N 1458a_100000174002_100102525003 [0,2,0,0,0,0|1,1,0]=4 2789 B11R0.147 N#CCCC(=O)CCCC(=O)N 1458a_100011934036_100102525003 [0,2,0,0,0,0|2,0,0]=4 2790 B11R0.147 N#CCNC(=O)CNCC(=O)O 269956a_100016091260_100000736037 [0,2,0,0,0,0|2,0,0]=4 2791 B11R0.147 NC(=O)CCCC(=O)C#CCO 1458a_100000049017_100102525003 [0,2,0,0,0,0|2,0,0]=4 2792 B11R0.174 C#CC(=O)CCCC(=O)OCC 1458a_100000211873_100011215271 [0,2,0,0,0,0|1,0,0]=3 2793 B11R0.174 C#CC(=O)CCNC(=O)OCC 1458a_100000211873_200011445536 [0,2,0,0,0,0|2,0,0]=4 2794 B11R0.174 C#CCC(=O)CCCC(=O)NC 1458a_100011220946_100000741757 [0,2,0,0,0,0|2,0,0]=4 2795 B11R0.174 C#CCC(=O)CCCC(=O)OC 1458a_100000239890_100000184674 [0,2,0,0,0,0|1,0,0]=3 2796 B11R0.174 C#CCC(=O)CCCC(=O)OC 1458a_100011220946_100011218270 [0,2,0,0,0,0|1,0,0]=3 2797 B11R0.174 C#CCC(=O)CSCC(=O)OC 1458a_100000191316_100000184674 [0,2,0,0,0,0|2,0,0]=4 2798 B11R0.174 C#CCC(=O)NCCC(=O)OC 188690a_100000683876_100011220946 [0,2,0,0,0,0|2,0,0]=4 2799 B11R0.174 C=CC(=O)CCCC(=O)OCC 1458a_100000185746_100011215271 [0,2,0,0,0,0|1,0,0]=3 2800 B11R0.174 C=CC(=O)CCNC(=O)OCC 1458a_100000185746_200011445536 [0,2,0,0,0,0|2,0,0]=4 2801 B11R0.174 C=CC(=O)OCCC(=O)COC 1458a_100000210968_100009813456 [0,2,0,0,0,0|2,0,0]=4 2802 B11R0.174 C=CCC(=O)CCCC(=O)NC 1458a_100000210193_100000741757 [0,2,0,0,0,0|2,0,0]=4 2803 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000210193_100011218270 [0,2,0,0,0,0|1,0,0]=3 2804 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210623 [0,2,0,0,0,0|1,0,0]=3 2805 B11R0.174 C=CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210623 [0,2,0,0,0,0|2,0,0]=4 2806 B11R0.174 C=CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210193 [0,2,0,0,0,0|2,0,0]=4 2807 B11R0.174 C=COC(=O)CNCC(=O)NC 2230a_100000693194_100000036128 [0,2,0,0,0,0|2,0,0]=4 2808 B11R0.174 C=COC(=O)COCC(=O)CC 34a_100000725409_100000036128 [0,2,0,0,0,0|2,0,0]=4 2809 B11R0.174 C=COC(=O)COCC(=O)NC 34a_100000750040_100000036128 [0,2,0,0,0,0|2,0,0]=4 2810 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000036128_100000747405 [0,2,0,0,0,0|2,0,0]=4 2811 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000747405_100000036128 [0,2,0,0,0,0|2,0,0]=4 2812 B11R0.174 C=COC(=O)CSCC(=O)NC 62a_100000036128_100000183359 [0,2,0,0,0,0|2,0,0]=4 2813 B11R0.174 C=COC(=O)CSCC(=O)NC 62a_100000183359_100000036128 [0,2,0,0,0,0|2,0,0]=4 2814 B11R0.174 C=COC(=O)CSCC(=O)OC 62a_100000036128_100000747449 [0,2,0,0,0,0|1,0,0]=3 2815 B11R0.174 C=COC(=O)CSCC(=O)OC 62a_100000747449_100000036128 [0,2,0,0,0,0|1,0,0]=3 2816 B11R0.174 CC#CC(=O)CCCC(=O)NC 1458a_100000763181_100000741757 [0,2,0,0,0,0|2,0,0]=4 2817 B11R0.174 CC#CC(=O)CCCC(=O)OC 1458a_100000763181_100011218270 [0,2,0,0,0,0|1,0,0]=3 2818 B11R0.174 CC=CC(=O)CCCC(=O)NC 1458a_100000210699_100000741757 [0,2,0,0,0,0|2,0,0]=4 2819 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,2,0,0,0,0|1,0,0]=3 2820 B11R0.174 CC=CC(=O)NCCC(=O)OC 188690a_100000683876_100000210699 [0,2,0,0,0,0|2,0,0]=4 2821 B11R0.174 CCC(=O)COCC(=O)NCO 34a_100000725409_100000185155 [0,2,0,0,0,0|2,0,0]=4 2822 B11R0.174 CCC(=O)CSCC(=O)NCO 62a_100000185155_100000747405 [0,2,0,0,0,0|2,0,0]=4 2823 B11R0.174 CCC(=O)CSCC(=O)NCO 62a_100000747405_100000185155 [0,2,0,0,0,0|2,0,0]=4 2824 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,2,0,0,0,0|2,0,0]=4 2825 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,2,0,0,0,0|1,0,0]=3 2826 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,2,0,0,0,0|1,0,0]=3 2827 B11R0.174 CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210303 [0,2,0,0,0,0|2,0,0]=4 2828 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747444_100000747449 [0,2,0,0,0,0|2,0,0]=4 2829 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747449_100000747444 [0,2,0,0,0,0|2,0,0]=4 2830 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,2,0,0,0,0|2,0,0]=4 2831 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,2,0,0,0,0|2,0,0]=4 2832 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,2,0,0,0,0|2,0,0]=4 2833 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,2,0,0,0,0|2,0,0]=4 2834 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,2,0,0,0,0|2,0,0]=4 2835 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,2,0,0,0,0|2,0,0]=4 2836 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,2,0,0,0,0|2,0,0]=4 2837 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,2,0,0,0,0|1,0,0]=3 2838 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,2,0,0,0,0|1,0,0]=3 2839 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,2,0,0,0,0|1,0,0]=3 2840 B11R0.174 CCNC(=O)CCNC(=O)CO 240690a_100025743525_100000210174 [0,2,0,0,0,0|2,0,0]=4 2841 B11R0.174 CCNC(=O)CCNC(=O)CO 527a_100025743525_100000210174 [0,2,0,0,0,0|2,0,0]=4 2842 B11R0.174 CCNC(=O)CNCC(=O)OC 2230a_100016988866_100000747449 [0,2,0,0,0,0|2,0,0]=4 2843 B11R0.174 CCNC(=O)CSCC(=O)OC 11a_100015525214_100000191316 [0,2,0,0,0,0|2,0,0]=4 2844 B11R0.174 CCNC(=O)CSCC(=O)OC 240690a_100015525214_100000191316 [0,2,0,0,0,0|2,0,0]=4 2845 B11R0.174 CCNC(=O)CSCC(=O)OC 62a_100000183381_100000747449 [0,2,0,0,0,0|2,0,0]=4 2846 B11R0.174 CCNC(=O)CSCC(=O)OC 62a_100000747449_100000183381 [0,2,0,0,0,0|2,0,0]=4 2847 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,2,0,0,0,0|1,0,0]=3 2848 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,2,0,0,0,0|1,0,0]=3 2849 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,2,0,0,0,0|1,0,0]=3 2850 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,2,0,0,0,0|0,0,0]=2 2851 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,2,0,0,0,0|1,0,0]=3 2852 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,2,0,0,0,0|1,0,0]=3 2853 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,2,0,0,0,0|1,0,0]=3 2854 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,2,0,0,0,0|1,0,0]=3 2855 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,2,0,0,0,0|2,0,0]=4 2856 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,2,0,0,0,0|1,0,0]=3 2857 B11R0.174 CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000188475 [0,2,0,0,0,0|2,0,0]=4 2858 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,2,0,0,0,0|2,0,0]=4 2859 B11R0.174 CCOC(=O)COCC(=O)NC 34a_100000750040_100000188475 [0,2,0,0,0,0|2,0,0]=4 2860 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,2,0,0,0,0|2,0,0]=4 2861 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,2,0,0,0,0|2,0,0]=4 2862 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000183359_100000188475 [0,2,0,0,0,0|2,0,0]=4 2863 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000188475_100000183359 [0,2,0,0,0,0|2,0,0]=4 2864 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,2,0,0,0,0|1,0,0]=3 2865 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,2,0,0,0,0|1,0,0]=3 2866 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,2,0,0,0,0|2,0,0]=4 2867 B11R0.174 CCOC(=O)NCCC(=O)CO 1458a_100000210174_200011445536 [0,2,0,0,0,0|1,0,0]=3 2868 B11R0.174 CNC(=O)CCCC(=O)C=CBr 1458a_100016273825_100000741757 [0,2,0,0,0,0|2,0,0]=4 2869 B11R0.174 CNC(=O)CCCC(=O)C=CCl 1458a_200016279998_100000741757 [0,2,0,0,0,0|2,0,0]=4 2870 B11R0.174 CNC(=O)CCCC(=O)C=CI 1458a_100016256311_100000741757 [0,2,0,0,0,0|2,0,0]=4 2871 B11R0.174 CNC(=O)CCCC(=O)CC#N 1458a_100051588842_100000741757 [0,2,0,0,0,0|2,0,0]=4 2872 B11R0.174 CNC(=O)CCCC(=O)CCO 1458a_100011216618_100000741757 [0,2,0,0,0,0|1,0,0]=3 2873 B11R0.174 CNC(=O)CCCC(=O)COC 1458a_100000210968_100000741757 [0,2,0,0,0,0|1,0,0]=3 2874 B11R0.174 CNC(=O)CCCC(=O)CSC 1458a_100000184570_100000741757 [0,2,0,0,0,0|1,1,0]=4 2875 B11R0.174 CNC(=O)CCNC(=O)CCO 240690a_100000738227_100011216618 [0,2,0,0,0,0|2,0,0]=4 2876 B11R0.174 CNC(=O)CCNC(=O)COC 11a_100000738227_100000210968 [0,2,0,0,0,0|2,0,0]=4 2877 B11R0.174 CNC(=O)CCNC(=O)COC 240690a_100000738227_100000210968 [0,2,0,0,0,0|2,0,0]=4 2878 B11R0.174 CNC(=O)CCNC(=O)COC 527a_100000738227_100000210968 [0,2,0,0,0,0|2,0,0]=4 2879 B11R0.174 CNC(=O)CNCC(=O)NCO 2230a_100000693194_100000185155 [0,2,0,0,0,0|2,0,0]=4 2880 B11R0.174 CNC(=O)COCC(=O)NCO 34a_100000750040_100000185155 [0,2,0,0,0,0|2,0,0]=4 2881 B11R0.174 CNC(=O)CSCC(=O)NCO 62a_100000183359_100000185155 [0,2,0,0,0,0|2,0,0]=4 2882 B11R0.174 CNC(=O)CSCC(=O)NCO 62a_100000185155_100000183359 [0,2,0,0,0,0|2,0,0]=4 2883 B11R0.174 CNC(=O)OCCC(=O)CCO 1458a_100011216618_200011997002 [0,2,0,0,0,0|2,0,0]=4 2884 B11R0.174 CNC(=O)OCCC(=O)COC 1458a_100000210968_200011997002 [0,2,0,0,0,0|2,0,0]=4 2885 B11R0.174 CNCC(=O)NCCC(=O)OC 2230a_106832991635_100000230212 [0,2,0,0,0,0|2,0,0]=4 2886 B11R0.174 CNCC(=O)NCCC(=O)OC 34a_100102657272_100000230212 [0,2,0,0,0,0|2,0,0]=4 2887 B11R0.174 CNCC(=O)NCCC(=O)OC 7a_106832991635_100000230212 [0,2,0,0,0,0|2,0,0]=4 2888 B11R0.174 CNNC(=O)CCCC(=O)OC 22a_100016993582_100000239890 [0,2,0,0,0,0|1,0,0]=3 2889 B11R0.174 CNNC(=O)CSCC(=O)OC 22a_100016993582_100000191316 [0,2,0,0,0,0|2,0,0]=4 2890 B11R0.174 COC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011218270 [0,2,0,0,0,0|1,0,0]=3 2891 B11R0.174 COC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011218270 [0,2,0,0,0,0|1,0,0]=3 2892 B11R0.174 COC(=O)CCCC(=O)C=CI 1458a_100016256311_100011218270 [0,2,0,0,0,0|1,0,0]=3 2893 B11R0.174 COC(=O)CCCC(=O)CC#N 1458a_100000239890_100011214920 [0,2,0,0,0,0|1,0,0]=3 2894 B11R0.174 COC(=O)CCCC(=O)CC#N 1458a_100051588842_100011218270 [0,2,0,0,0,0|1,0,0]=3 2895 B11R0.174 COC(=O)CCCC(=O)CCF 1458a_100000239890_100011217306 [0,2,0,0,0,0|1,0,0]=3 2896 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100000239890_100000211926 [0,2,0,0,0,0|0,0,0]=2 2897 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100011216618_100011218270 [0,2,0,0,0,0|0,0,0]=2 2898 B11R0.174 COC(=O)CCCC(=O)CSC 1458a_100000184570_100011218270 [0,2,0,0,0,0|0,1,0]=3 2899 B11R0.174 COC(=O)CCCN(C)CC=O 269982a_100000739225_200015260668 [0,2,0,0,0,0|2,0,0]=4 2900 B11R0.174 COC(=O)CCCN(C)CCO 2230a_100000210263_100011218270 [0,2,0,0,0,0|2,0,0]=4 2901 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000210263_100011218270 [0,2,0,0,0,0|2,0,0]=4 2902 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000739225_100000211926 [0,2,0,0,0,0|2,0,0]=4 2903 B11R0.174 COC(=O)CCNC(=O)CSC 188690a_100000683876_100000184570 [0,2,0,0,0,0|1,1,0]=4 2904 B11R0.174 COC(=O)CCNC(=O)CSC 62a_100000230212_200000210301 [0,2,0,0,0,0|1,1,0]=4 2905 B11R0.174 COC(=O)CCNC(=O)CSC 62a_200000210301_100000230212 [0,2,0,0,0,0|1,1,0]=4 2906 B11R0.174 COC(=O)CCNC(=O)CS[13CH3] 62a_100000230212_200025704644 [0,2,0,0,0,0|1,1,0]=4 2907 B11R0.174 COC(=O)CCNC(=O)CS[13CH3] 62a_200025704644_100000230212 [0,2,0,0,0,0|1,1,0]=4 2908 B11R0.174 COC(=O)CSCC(=O)CC#N 1458a_100000191316_100011214920 [0,2,0,0,0,0|2,0,0]=4 2909 B11R0.174 COC(=O)CSCC(=O)CCF 1458a_100000191316_100011217306 [0,2,0,0,0,0|2,0,0]=4 2910 B11R0.174 COC(=O)CSCC(=O)CCO 1458a_100000191316_100000211926 [0,2,0,0,0,0|1,0,0]=3 2911 B11R0.174 COC(=O)CSCC(=O)NCO 62a_100000185155_100000747449 [0,2,0,0,0,0|1,0,0]=3 2912 B11R0.174 COC(=O)CSCC(=O)NCO 62a_100000747449_100000185155 [0,2,0,0,0,0|1,0,0]=3 2913 B11R0.174 COCC(=O)CCCC(=O)OC 1458a_100000210968_100011218270 [0,2,0,0,0,0|0,0,0]=2 2914 B11R0.174 COCC(=O)NCCC(=O)OC 188690a_100000683876_100000210968 [0,2,0,0,0,0|1,0,0]=3 2915 B11R0.174 COCC(=O)NCCC(=O)OC 34a_100138415774_100000230212 [0,2,0,0,0,0|1,0,0]=3 2916 B11R0.174 COCN(C)CCCC(=O)OC 269982a_100000739225_100000766300 [0,2,0,0,0,0|2,0,0]=4 2917 B11R0.180 COCC(=O)CCCS(=O)(=O)C 1458a_100000210968_100000754308 [0,2,0,0,0,0|1,0,1]=4 2918 B11R0.180 COCC(=O)CCCS(=O)(=O)N 1458a_100000210968_100000750626 [0,2,0,0,0,0|1,0,1]=4 2919 B11R0.180 COCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210968_100009813499 [0,2,0,0,0,0|1,0,1]=4 2920 B11R0.33 CC(=O)C(=O)CN(C)CC(=O)O 269956a_100000746989_100011261029 [0,2,0,0,0,0|2,0,0]=4 2921 B11R0.33 CC(C)C(=O)CN(C)CC(=O)O 269956a_100000746989_100000753385 [0,2,0,0,0,0|2,0,0]=4 2922 B11R0.33 CN(CC(=O)O)CC(=O)N(C)C 269956a_100000746989_100000692301 [0,2,0,0,0,0|2,0,0]=4 2923 B11R0.63 CCC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100000742827 [0,2,0,0,0,0|2,0,0]=4 2924 B11R0.63 CNC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100000209862 [0,2,0,0,0,0|2,0,0]=4 2925 B11R0.63 COC(=O)C(C)C(=O)CC(=O)N 1458a_100012027023_100000187820 [0,2,0,0,0,0|1,0,1]=4 2926 B11R0.63 COC(=O)C(C)C(=O)CC(=O)N 1458a_100134613110_100000211248 [0,2,0,0,0,0|1,0,1]=4 2927 B11R0.63 COC(=O)C(C)C(=O)CC(=O)[O-] 1458a_100012027023_100020667443 [0,2,0,0,0,0|0,0,2]=4 2928 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 2230a_100000725243_100000747473 [0,2,0,0,0,0|2,0,0]=4 2929 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 2230a_100000739694_100000211248 [0,2,0,0,0,0|2,0,0]=4 2930 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 269982a_100000725243_100000187820 [0,2,0,0,0,0|2,0,0]=4 2931 B11R0.63 COC(=O)C(C)N(C)CC(=O)[O-] 269982a_100000725243_100020667443 [0,2,0,0,0,0|1,0,1]=4 2932 B11R0.91 CCC(=O)CN(CC)CC(=O)O 269956a_100000746405_100000747405 [0,2,0,0,0,0|2,0,0]=4 2933 B11R0.91 CCN(CC(=O)O)CC(=O)NC 269956a_100000746405_100000183359 [0,2,0,0,0,0|2,0,0]=4 2934 B11R0.91 CCN(CC(=O)O)CC(=O)OC 269956a_100000746405_100000747449 [0,2,0,0,0,0|1,0,0]=3 2935 B11R0.91 COC(=O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000747449 [0,2,0,0,0,0|1,0,1]=4 2936 B11R0.92 CCC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747405 [0,2,0,0,0,0|2,0,0]=4 2937 B11R0.92 CNC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000183359 [0,2,0,0,0,0|2,0,0]=4 2938 B11R0.92 COC(=O)CC(=O)C(C)C(=O)C 1458a_100000211351_100000179758 [0,2,0,0,0,0|1,0,1]=4 2939 B11R0.92 COC(=O)CC(=O)C(C)C(=O)N 1458a_100000211351_100000702099 [0,2,0,0,0,0|1,0,1]=4 2940 B11R0.92 COC(=O)CC(=O)C(F)C(=O)N 1458a_100000211351_100009813875 [0,2,0,0,0,0|1,0,1]=4 2941 B11R0.92 COC(=O)CC(=O)C(F)C(=O)[O-] 1458a_100000211351_100020610796 [0,2,0,0,0,0|0,0,2]=4 2942 B11R0.92 COC(=O)CN(C)C(C)C(=O)C 2230a_100000198492_100009814033 [0,2,0,0,0,0|2,0,0]=4 2943 B11R0.92 COC(=O)CN(C)C(C)C(=O)N 2230a_100000198492_100000702099 [0,2,0,0,0,0|2,0,0]=4 2944 B11R0.92 COC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747449 [0,2,0,0,0,0|1,0,0]=3 2945 B11R0.92 COC(=O)CN(C)C(F)C(=O)N 2230a_100000198492_100009813875 [0,2,0,0,0,0|2,0,0]=4 2946 B11R0.110 CCC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747405 [0,2,0,0,0,0|1,0,1]=4 2947 B11R0.110 CCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210202 [0,2,0,0,0,0|1,0,0]=3 2948 B11R0.110 CCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000210414 [0,2,0,0,0,0|2,0,0]=4 2949 B11R0.110 CNC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000183359 [0,2,0,0,0,0|1,0,1]=4 2950 B11R0.110 CNC(=O)CC(C)CC(=O)OC 11a_106832991635_100000732146 [0,2,0,0,0,0|1,0,0]=3 2951 B11R0.110 CNC(=O)CC(C)CC(=O)OC 1626a_100102657272_100000732146 [0,2,0,0,0,0|1,0,0]=3 2952 B11R0.110 CNC(=O)CC(C)CC(=O)OC 240690a_100102657272_100000732146 [0,2,0,0,0,0|1,0,0]=3 2953 B11R0.110 CNC(=O)CC(C)CC(=O)OC 527a_100102657272_100000732146 [0,2,0,0,0,0|1,0,0]=3 2954 B11R0.110 CNC(=O)CN(C)CC(=O)OC 2230a_100000189611_100000747449 [0,2,0,0,0,0|2,0,0]=4 2955 B11R0.110 CNC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000183359 [0,2,0,0,0,0|2,0,0]=4 2956 B11R0.110 COC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747449 [0,2,0,0,0,0|0,0,1]=3 2957 B11R0.110 COC(=O)CC(C)CC(=O)CF 1458a_100000732146_100015361967 [0,2,0,0,0,0|1,0,0]=3 2958 B11R0.110 COC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000747449 [0,2,0,0,0,0|1,0,0]=3 2959 B11R0.110 COC(=O)CN(C)CC(=O)OC 2230a_100000750971_200000210301 [0,2,0,0,0,0|1,0,0]=3 2960 B11R0.110 COC(=O)CN([13CH3])CC(=O)OC 2230a_100000750971_200025704644 [0,2,0,0,0,0|1,0,0]=3 2961 B11R0.110 COC(=O)C[C@@H](C)NC(=O)CO 188690a_100016994721_100000210174 [0,2,0,0,0,0|1,0,0]=3 2962 B11R0.110 COC(=O)NC(=O)CC(=O)CO 1458a_100000210174_100000010850 [0,2,0,0,0,0|1,0,1]=4 2963 B11R0.117 CCC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000742827 [0,2,0,0,0,0|2,0,0]=4 2964 B11R0.117 CNC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000209862 [0,2,0,0,0,0|2,0,0]=4 2965 B11R0.117 COC(=O)C(C)N[C@H](C)C(=O)N 2230a_100000119354_100000211248 [0,2,0,0,0,0|2,0,0]=4 2966 B11R0.117 COC(=O)C(C)N[C@H](C)C(=O)N 34a_100000119354_100000211248 [0,2,0,0,0,0|2,0,0]=4 2967 B11R0.117 COC(=O)C(C)OC(C)C(=O)C 34a_100000212229_100000211248 [0,2,0,0,0,0|2,0,0]=4 2968 B11R0.117 COC(=O)C(C)OC(C)C(=O)N 34a_100011215400_100000702099 [0,2,0,0,0,0|2,0,0]=4 2969 B11R0.117 COC(=O)C(C)OC(F)C(=O)N 34a_100011215400_100009813875 [0,2,0,0,0,0|2,0,0]=4 2970 B11R0.117 COC(=O)C(C)OC(F)C(=O)[O-] 34a_100011215400_100020610796 [0,2,0,0,0,0|1,0,1]=4 2971 B11R0.117 COC(=O)C(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000211248 [0,2,0,0,0,0|1,0,1]=4 2972 B11R0.117 COC(=O)C(C)O[C@H](C)C(=O)N 34a_100000731257_100000211248 [0,2,0,0,0,0|2,0,0]=4 2973 B11R0.117 COC(=O)C(C)O[C@H](C)C(=O)N 7a_100000731257_100000211248 [0,2,0,0,0,0|2,0,0]=4 2974 B11R0.117 COC(=O)C(C)SC(C)C(=O)C 62a_100000211248_100009814033 [0,2,0,0,0,0|2,0,0]=4 2975 B11R0.117 COC(=O)C(C)SC(C)C(=O)C 62a_100009814033_100000211248 [0,2,0,0,0,0|2,0,0]=4 2976 B11R0.117 COC(=O)C(C)SC(C)C(=O)N 62a_100000211248_100000702099 [0,2,0,0,0,0|2,0,0]=4 2977 B11R0.117 COC(=O)C(C)SC(C)C(=O)N 62a_100000702099_100000211248 [0,2,0,0,0,0|2,0,0]=4 2978 B11R0.117 COC(=O)C(C)SC(F)C(=O)N 62a_100000211248_100009813875 [0,2,0,0,0,0|2,0,0]=4 2979 B11R0.117 COC(=O)C(C)SC(F)C(=O)N 62a_100009813875_100000211248 [0,2,0,0,0,0|2,0,0]=4 2980 B11R0.117 COC(=O)C(C)SC(F)C(=O)[O-] 62a_100000211248_100020610796 [0,2,0,0,0,0|1,0,1]=4 2981 B11R0.117 COC(=O)C(C)SC(F)C(=O)[O-] 62a_100020610796_100000211248 [0,2,0,0,0,0|1,0,1]=4 2982 B11R0.118 CCC(NCC(=O)N)C(=O)OC 2230a_100000711301_100000235869 [0,2,0,0,0,0|2,0,0]=4 2983 B11R0.118 CCC(OCC(=O)C)C(=O)OC 34a_100000211253_100000235869 [0,2,0,0,0,0|2,0,0]=4 2984 B11R0.118 CCC(OCC(=O)N)C(=O)OC 34a_100000695916_100000187820 [0,2,0,0,0,0|2,0,0]=4 2985 B11R0.118 CCC(OCC(=O)N)C(=O)OC 7a_100000695916_100000187820 [0,2,0,0,0,0|2,0,0]=4 2986 B11R0.118 CCC(OCC(=O)[O-])C(=O)OC 34a_100000695916_100020667443 [0,2,0,0,0,0|1,0,1]=4 2987 B11R0.118 CCC(SCC(=O)N)C(=O)OC 62a_100000235869_100000747473 [0,2,0,0,0,0|2,0,0]=4 2988 B11R0.118 CCC(SCC(=O)N)C(=O)OC 62a_100000747473_100000235869 [0,2,0,0,0,0|2,0,0]=4 2989 B11R0.118 CCC(SCC(=O)[O-])C(=O)OC 62a_100000235869_100020667443 [0,2,0,0,0,0|1,0,1]=4 2990 B11R0.118 CCC(SCC(=O)[O-])C(=O)OC 62a_100020667443_100000235869 [0,2,0,0,0,0|1,0,1]=4 2991 B11R0.118 COC(=O)C(C=O)OCC(=O)C 34a_100000211253_100000046368 [0,2,0,0,0,0|2,0,0]=4 2992 B11R0.118 COC(=O)C(C=O)SCC(=O)N 62a_100000046368_100000747473 [0,2,0,0,0,0|2,0,0]=4 2993 B11R0.118 COC(=O)C(C=O)SCC(=O)N 62a_100000747473_100000046368 [0,2,0,0,0,0|2,0,0]=4 2994 B11R0.118 COC(=O)C(C=O)SCC(=O)[O-] 62a_100000046368_100020667443 [0,2,0,0,0,0|1,0,1]=4 2995 B11R0.118 COC(=O)C(C=O)SCC(=O)[O-] 62a_100020667443_100000046368 [0,2,0,0,0,0|1,0,1]=4 2996 B11R0.118 COC(=O)C(CN)OCC(=O)N 34a_100000695228_100000187820 [0,2,0,0,0,0|2,0,0]=4 2997 B11R0.118 COC(=O)C(CN)OCC(=O)[O-] 34a_100000695228_100020667443 [0,2,0,0,0,0|1,0,1]=4 2998 B11R0.118 COC(=O)C(CO)OCC(=O)C 34a_100000211253_100012276630 [0,2,0,0,0,0|2,0,0]=4 2999 B11R0.118 COC(=O)C(CO)SCC(=O)N 62a_100000747473_100012276630 [0,2,0,0,0,0|2,0,0]=4 3000 B11R0.118 COC(=O)C(CO)SCC(=O)N 62a_100012276630_100000747473 [0,2,0,0,0,0|2,0,0]=4 3001 B11R0.118 COC(=O)C(CO)SCC(=O)[O-] 62a_100012276630_100020667443 [0,2,0,0,0,0|1,0,1]=4 3002 B11R0.118 COC(=O)C(CO)SCC(=O)[O-] 62a_100020667443_100012276630 [0,2,0,0,0,0|1,0,1]=4 3003 B11R0.118 COC(=O)C(OC)OCC(=O)C 34a_100000211253_100000101307 [0,2,0,0,0,0|2,0,0]=4 3004 B11R0.118 COC(=O)C(OC)OCC(=O)N 34a_100000036821_100000187820 [0,2,0,0,0,0|2,0,0]=4 3005 B11R0.118 COC(=O)C(OC)OCC(=O)[O-] 34a_100000036821_100020667443 [0,2,0,0,0,0|1,0,1]=4 3006 B11R0.118 COC(=O)C(OC)SCC(=O)N 62a_100000101307_100000747473 [0,2,0,0,0,0|2,0,0]=4 3007 B11R0.118 COC(=O)C(OC)SCC(=O)N 62a_100000747473_100000101307 [0,2,0,0,0,0|2,0,0]=4 3008 B11R0.118 COC(=O)C(OC)SCC(=O)[O-] 62a_100000101307_100020667443 [0,2,0,0,0,0|1,0,1]=4 3009 B11R0.118 COC(=O)C(OC)SCC(=O)[O-] 62a_100020667443_100000101307 [0,2,0,0,0,0|1,0,1]=4 3010 B11R0.120 C#CC(=O)CCC(C)C(=O)OC 1458a_100000211873_100000034942 [0,2,0,0,0,0|1,0,0]=3 3011 B11R0.120 C=CC(=O)CCC(C)C(=O)OC 1458a_100000185746_100000034942 [0,2,0,0,0,0|1,0,0]=3 3012 B11R0.120 C=CC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000185746 [0,2,0,0,0,0|2,0,0]=4 3013 B11R0.120 C=CC(=O)N(C)CCC(=O)OC 240690a_100025711912_200121576911 [0,2,0,0,0,0|2,0,0]=4 3014 B11R0.120 CCC(=O)C(C)SCC(=O)OC 62a_100000742827_100000747449 [0,2,0,0,0,0|2,0,0]=4 3015 B11R0.120 CCC(=O)C(C)SCC(=O)OC 62a_100000747449_100000742827 [0,2,0,0,0,0|2,0,0]=4 3016 B11R0.120 CCC(=O)CCC(C)C(=O)OC 1458a_100000210414_100000034942 [0,2,0,0,0,0|1,0,0]=3 3017 B11R0.120 CCC(=O)COC(C)C(=O)OC 34a_100000725409_100000211248 [0,2,0,0,0,0|2,0,0]=4 3018 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747405 [0,2,0,0,0,0|2,0,0]=4 3019 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000747405_100000211248 [0,2,0,0,0,0|2,0,0]=4 3020 B11R0.120 CCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000210414 [0,2,0,0,0,0|2,0,0]=4 3021 B11R0.120 CCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000210414 [0,2,0,0,0,0|2,0,0]=4 3022 B11R0.120 CCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000210414 [0,2,0,0,0,0|2,0,0]=4 3023 B11R0.120 CCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000210414 [0,2,0,0,0,0|2,0,0]=4 3024 B11R0.120 CCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000210414 [0,2,0,0,0,0|2,0,0]=4 3025 B11R0.120 CNC(=O)C(C)CNC(=O)CO 240690a_100015187722_100000210174 [0,2,0,0,0,0|2,0,0]=4 3026 B11R0.120 CNC(=O)C(C)CNC(=O)CO 527a_100015187722_100000210174 [0,2,0,0,0,0|2,0,0]=4 3027 B11R0.120 CNC(=O)C(C)SCC(=O)OC 62a_100000209862_100000747449 [0,2,0,0,0,0|2,0,0]=4 3028 B11R0.120 CNC(=O)C(C)SCC(=O)OC 62a_100000747449_100000731044 [0,2,0,0,0,0|2,0,0]=4 3029 B11R0.120 CNC(=O)C(F)SCC(=O)OC 62a_100000747449_100009813575 [0,2,0,0,0,0|2,0,0]=4 3030 B11R0.120 CNC(=O)C(F)SCC(=O)OC 62a_100009813575_100000747449 [0,2,0,0,0,0|2,0,0]=4 3031 B11R0.120 CNC(=O)CCN(C)C(=O)CO 240690a_100000750875_100000210174 [0,2,0,0,0,0|2,0,0]=4 3032 B11R0.120 CNC(=O)CCN(C)C(=O)CO 527a_100000750875_100000210174 [0,2,0,0,0,0|2,0,0]=4 3033 B11R0.120 CNC(=O)CNC(C)C(=O)OC 2230a_100000693194_100000211248 [0,2,0,0,0,0|2,0,0]=4 3034 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100000750040_100000211248 [0,2,0,0,0,0|2,0,0]=4 3035 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100011215400_100000183359 [0,2,0,0,0,0|2,0,0]=4 3036 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000183359_100000211248 [0,2,0,0,0,0|2,0,0]=4 3037 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000211248_100000183359 [0,2,0,0,0,0|2,0,0]=4 3038 B11R0.120 CNC(=O)[C@@H](C)NCC(=O)OC 2230a_100000684985_100000747449 [0,2,0,0,0,0|2,0,0]=4 3039 B11R0.120 CNC(=O)[C@@H](C)NCC(=O)OC 34a_100000684985_100000747449 [0,2,0,0,0,0|2,0,0]=4 3040 B11R0.120 COC(=O)C(C)CCC(=O)CO 1458a_100000210174_100000034942 [0,2,0,0,0,0|0,0,0]=2 3041 B11R0.120 COC(=O)C(O)CNC(=O)CO 188690a_100000695228_100000210174 [0,2,0,0,0,0|1,0,0]=3 3042 B11R0.120 COC(=O)CCN(C)C(=O)CO 240690a_100025711912_100000210174 [0,2,0,0,0,0|1,0,0]=3 3043 B11R0.120 COC(=O)CCN(C)C(=O)CO 527a_100025711912_100000210174 [0,2,0,0,0,0|1,0,0]=3 3044 B11R0.120 COC(=O)COC(C)C(=O)NN 34a_100000725659_100000747449 [0,2,0,0,0,0|2,0,0]=4 3045 B11R0.120 COC(=O)COC(C)C(=O)OC 34a_100011215400_100000747449 [0,2,0,0,0,0|1,0,0]=3 3046 B11R0.120 COC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747449 [0,2,0,0,0,0|1,0,0]=3 3047 B11R0.120 COC(=O)CSC(C)C(=O)OC 62a_100000747449_100000211248 [0,2,0,0,0,0|1,0,0]=3 3048 B11R0.173 CC(C)C(=O)C(C)NCC(=O)O 269956a_100016091260_100009893295 [0,2,0,0,0,0|2,0,0]=4 3049 B11R0.173 CC(NCC(=O)O)C(=O)N(C)C 269956a_100016091260_100000209910 [0,2,0,0,0,0|2,0,0]=4 3050 B11R0.288 CNC(=O)C(C)(C)NCC(=O)O 269956a_100016091260_100000732697 [0,2,0,0,0,0|2,0,0]=4 3051 B11R0.288 COC(=O)C(C)(C)CNC(=O)C 188690a_100000686941_100015343762 [0,2,0,0,0,0|2,0,0]=4 3052 B11R0.288 COC(=O)C(C)(C)NCC(=O)N 2230a_100000711301_100000689032 [0,2,0,0,0,0|2,0,0]=4 3053 B11R0.288 COC(=O)C(C)(C)OCC(=O)N 34a_100011217581_100000187820 [0,2,0,0,0,0|2,0,0]=4 3054 B11R0.288 COC(=O)C(C)(C)OCC(=O)N 7a_100011217581_100000187820 [0,2,0,0,0,0|2,0,0]=4 3055 B11R0.288 COC(=O)C(C)(C)OCC(=O)[O-] 34a_100011217581_100020667443 [0,2,0,0,0,0|1,0,1]=4 3056 B11R0.288 COC(=O)C(C)(C)SCC(=O)N 62a_100000689032_100000747473 [0,2,0,0,0,0|2,0,0]=4 3057 B11R0.288 COC(=O)C(C)(C)SCC(=O)N 62a_100000747473_100000689032 [0,2,0,0,0,0|2,0,0]=4 3058 B11R0.288 COC(=O)C(C)(C)SCC(=O)[O-] 62a_100000689032_100020667443 [0,2,0,0,0,0|1,0,1]=4 3059 B11R0.288 COC(=O)C(C)(C)SCC(=O)[O-] 62a_100020667443_100000689032 [0,2,0,0,0,0|1,0,1]=4 3060 B11R0.288 COC(=O)C(C)(F)NCC(=O)N 2230a_100000711301_200009867631 [0,2,0,0,0,0|2,0,0]=4 3061 B11R0.288 COC(=O)C(C)(F)OCC(=O)C 34a_100000211253_200009867631 [0,2,0,0,0,0|2,0,0]=4 3062 B11R0.288 COC(=O)C(C)(F)SCC(=O)N 62a_100000747473_200009867631 [0,2,0,0,0,0|2,0,0]=4 3063 B11R0.288 COC(=O)C(C)(F)SCC(=O)N 62a_200009867631_100000747473 [0,2,0,0,0,0|2,0,0]=4 3064 B11R0.288 COC(=O)C(C)(F)SCC(=O)[O-] 62a_100020667443_200009867631 [0,2,0,0,0,0|1,0,1]=4 3065 B11R0.288 COC(=O)C(C)(F)SCC(=O)[O-] 62a_200009867631_100020667443 [0,2,0,0,0,0|1,0,1]=4 3066 B11R0.288 COC(=O)C(F)(F)CNC(=O)C 188690a_100102698982_100015343762 [0,2,0,0,0,0|2,0,0]=4 3067 B11R0.288 COC(=O)C(F)(F)OCC(=O)C 34a_100000211253_100000211177 [0,2,0,0,0,0|2,0,0]=4 3068 B11R0.288 COC(=O)C(F)(F)SCC(=O)N 62a_100000211177_100000747473 [0,2,0,0,0,0|2,0,0]=4 3069 B11R0.288 COC(=O)C(F)(F)SCC(=O)N 62a_100000747473_100000211177 [0,2,0,0,0,0|2,0,0]=4 3070 B11R0.288 COC(=O)C(F)(F)SCC(=O)[O-] 62a_100000211177_100020667443 [0,2,0,0,0,0|1,0,1]=4 3071 B11R0.288 COC(=O)C(F)(F)SCC(=O)[O-] 62a_100020667443_100000211177 [0,2,0,0,0,0|1,0,1]=4 3072 B11R0.200 COC(CCCC(=O)CO)OC 1458a_100000210174_100000069011 [0,2,0,0,0,0|0,0,2]=4 3073 B11R0.90 C=C[C@H](NCC(=O)CC)C(=O)O 269956a_100016992060_100000747405 [0,2,0,0,0,0|2,0,0]=4 3074 B11R0.90 C=C[C@H](NCC(=O)NC)C(=O)O 269956a_100016992060_100000183359 [0,2,0,0,0,0|2,0,0]=4 3075 B11R0.90 C=C[C@H](NCC(=O)OC)C(=O)O 269956a_100016992060_100000747449 [0,2,0,0,0,0|1,0,0]=3 3076 B11R0.90 CCC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747405 [0,2,0,0,0,0|2,0,0]=4 3077 B11R0.90 CCC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000747405 [0,2,0,0,0,0|2,0,0]=4 3078 B11R0.90 CCC(NCC(=O)OC)C(=O)N 2230a_100000733705_100000747449 [0,2,0,0,0,0|2,0,0]=4 3079 B11R0.90 CCC(NCC(=O)OC)C(=O)N 34a_100000733705_100000747449 [0,2,0,0,0,0|2,0,0]=4 3080 B11R0.90 CCC(SCC(=O)OC)C(=O)N 62a_100000747449_100000750255 [0,2,0,0,0,0|2,0,0]=4 3081 B11R0.90 CCC(SCC(=O)OC)C(=O)N 62a_100000750255_100000747449 [0,2,0,0,0,0|2,0,0]=4 3082 B11R0.90 CCN(CCC(=O)OC)C(=O)C 11a_100000229097_100015343762 [0,2,0,0,0,0|2,0,0]=4 3083 B11R0.90 CCN(CCC(=O)OC)C(=O)C 1626a_100000229097_100015343762 [0,2,0,0,0,0|2,0,0]=4 3084 B11R0.90 CCN(CCC(=O)OC)C(=O)C 240690a_100000229097_100015343762 [0,2,0,0,0,0|2,0,0]=4 3085 B11R0.90 CCN(CCC(=O)OC)C(=O)C 527a_100000229097_100103153847 [0,2,0,0,0,0|2,0,0]=4 3086 B11R0.90 CC[C@@H](NCC(=O)NC)C(=O)O 269956a_100000747097_100000183359 [0,2,0,0,0,0|2,0,0]=4 3087 B11R0.90 CC[C@@H](NCC(=O)OC)C(=O)O 269956a_100000747097_100000747449 [0,2,0,0,0,0|1,0,0]=3 3088 B11R0.90 CNC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000183359 [0,2,0,0,0,0|2,0,0]=4 3089 B11R0.90 COC(=O)CNC(C#N)C(=O)N 2230a_100000039599_100000747449 [0,2,0,0,0,0|2,0,0]=4 3090 B11R0.90 COC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747449 [0,2,0,0,0,0|1,0,0]=3 3091 B11R0.90 COC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000747449 [0,2,0,0,0,0|2,0,0]=4 3092 B11R0.90 COC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000747449 [0,2,0,0,0,0|2,0,0]=4 3093 B11R0.150 CC(=O)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011261029 [0,2,0,0,0,0|2,0,0]=4 3094 B11R0.150 CC(C)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000753385 [0,2,0,0,0,0|2,0,0]=4 3095 B11R0.150 C[C@H](NCC(=O)N(C)C)C(=O)O 269956a_100000743915_100000692301 [0,2,0,0,0,0|2,0,0]=4 3096 B11R0.201 COC(=O)CNC(C)(C)C(=O)N 2230a_100000743658_100000747449 [0,2,0,0,0,0|2,0,0]=4 3097 B11R0.201 COC(=O)CNC(C)(C)C(=O)N 34a_100000743658_100000747449 [0,2,0,0,0,0|2,0,0]=4 3098 B11R0.201 COC(=O)COC(C)(C)C(=O)C 34a_100000747739_100000747449 [0,2,0,0,0,0|2,0,0]=4 3099 B11R0.201 COC(=O)COC(C)(C)C(=O)C 7a_100000747739_100000747449 [0,2,0,0,0,0|2,0,0]=4 3100 B11R0.201 COC(=O)COC(C)(C)C(=O)N 34a_100011626353_100000747449 [0,2,0,0,0,0|2,0,0]=4 3101 B11R0.201 COC(=O)COC(C)(C)C(=O)N 7a_100011626353_100000747449 [0,2,0,0,0,0|2,0,0]=4 3102 B11R0.201 COC(=O)CSC(C)(C)C(=O)C 62a_100000075568_100000747449 [0,2,0,0,0,0|2,0,0]=4 3103 B11R0.201 COC(=O)CSC(C)(C)C(=O)C 62a_100000747449_100000075568 [0,2,0,0,0,0|2,0,0]=4 3104 B11R0.201 COC(=O)CSC(C)(C)C(=O)N 62a_100000702505_100000747449 [0,2,0,0,0,0|2,0,0]=4 3105 B11R0.201 COC(=O)CSC(C)(C)C(=O)N 62a_100000747449_100000702505 [0,2,0,0,0,0|2,0,0]=4 3106 B11R0.201 COC(=O)CSC(F)(F)C(=O)N 62a_100000747449_100009811971 [0,2,0,0,0,0|2,0,0]=4 3107 B11R0.201 COC(=O)CSC(F)(F)C(=O)N 62a_100009811971_100000747449 [0,2,0,0,0,0|2,0,0]=4 3108 B11R0.201 COC(=O)CSC(F)(F)C(=O)[O-] 62a_100000745680_100000747449 [0,2,0,0,0,0|1,0,1]=4 3109 B11R0.201 COC(=O)CSC(F)(F)C(=O)[O-] 62a_100000747449_100000745680 [0,2,0,0,0,0|1,0,1]=4 3110 B11R0.84 CC(=O)CCCC(=O)C(C)(C)C 1458a_106744555173_100011215641 [0,2,0,0,0,0|2,0,0]=4 3111 B11R0.84 CC(=O)CCCC(=O)C(C)(C)F 1458a_100000765255_100011215641 [0,2,0,0,0,0|2,0,0]=4 3112 B11R0.84 CC(=O)CCCC(=O)C(C)(C)O 1458a_100000242741_100011215641 [0,2,0,0,0,0|2,0,0]=4 3113 B11R0.84 CC(C)(C)C(=O)CCCC(=O)N 1458a_106744555173_100102525003 [0,2,0,0,0,0|2,0,0]=4 3114 B11R0.84 CC(C)(C)C(=O)CNCC(=O)O 269956a_100016091260_100000210923 [0,2,0,0,0,0|2,0,0]=4 3115 B11R0.84 CC(C)(F)C(=O)CCCC(=O)N 1458a_100000765255_100102525003 [0,2,0,0,0,0|2,0,0]=4 3116 B11R0.84 CC(C)(O)C(=O)CCCC(=O)N 1458a_100000242741_100102525003 [0,2,0,0,0,0|2,0,0]=4 3117 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,1,0,0|1,0,1]=4 3118 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,1,0,0|1,0,1]=4 3119 B9R1.7 O=CCN1CNC(=O)C1 2230a_200000708111_200015260668 [1,0,0,1,0,0|2,0,0]=4 3120 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,0,0,1,0,0|1,0,1]=4 3121 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [1,0,0,1,0,0|1,0,1]=4 3122 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [1,0,0,1,0,0|1,0,1]=4 3123 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [1,0,0,1,0,0|1,0,1]=4 3124 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [1,0,0,1,0,0|1,0,1]=4 3125 B9R1.39 O=CCSC1CCC1=O 62a_100009892977_200015260668 [1,0,0,1,0,0|2,0,0]=4 3126 B9R1.39 O=CCSC1CCC1=O 62a_200015260668_100009892977 [1,0,0,1,0,0|2,0,0]=4 3127 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [1,0,0,1,0,0|1,0,1]=4 3128 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [1,0,0,1,0,0|1,0,1]=4 3129 B9R1.81 C#CC(=O)C1CCC1=O 1458a_100000211873_100009892977 [1,0,0,1,0,0|1,0,1]=4 3130 B9R1.81 C=CC(=O)C1CCC1=O 1458a_100000185746_100009892977 [1,0,0,1,0,0|1,0,1]=4 3131 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [1,0,0,1,0,0|1,0,0]=3 3132 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [1,0,0,1,0,0|2,0,0]=4 3133 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [1,0,0,1,0,0|2,0,0]=4 3134 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [1,0,0,1,0,0|2,0,0]=4 3135 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [1,0,0,1,0,0|2,0,0]=4 3136 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [1,0,0,1,0,0|2,0,0]=4 3137 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|1,0,1]=4 3138 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|1,0,1]=4 3139 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|2,0,0]=4 3140 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|1,0,1]=4 3141 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|2,0,0]=4 3142 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [1,0,0,1,0,0|2,0,0]=4 3143 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,1,0,0|1,0,1]=4 3144 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,1,0,0|1,0,1]=4 3145 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [1,0,0,1,0,0|2,0,0]=4 3146 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,1,0,0|1,0,1]=4 3147 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|1,0,1]=4 3148 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|1,0,1]=4 3149 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [1,0,0,1,0,0|1,0,1]=4 3150 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [1,0,0,1,0,0|1,0,1]=4 3151 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [1,0,0,1,0,0|1,0,1]=4 3152 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [1,0,0,1,0,0|1,0,1]=4 3153 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|2,0,0]=4 3154 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|1,0,0]=3 3155 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,1,0,0|1,0,1]=4 3156 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [1,0,0,1,0,0|2,0,0]=4 3157 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [1,0,0,1,0,0|2,0,0]=4 3158 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [1,0,0,1,0,0|0,0,0]=2 3159 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [1,0,0,1,0,0|2,0,0]=4 3160 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|1,0,0]=3 3161 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,1,0,0|1,0,1]=4 3162 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [1,0,0,1,0,0|2,0,0]=4 3163 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [1,0,0,1,0,0|2,0,0]=4 3164 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [1,0,0,1,0,0|0,0,0]=2 3165 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [1,0,0,1,0,0|2,0,0]=4 3166 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [1,0,0,1,0,0|1,0,0]=3 3167 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [1,0,0,1,0,0|2,0,0]=4 3168 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [1,0,0,1,0,0|2,0,0]=4 3169 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,0,0,1,1,0|2,0,0]=4 3170 B9R1.82 CNC(=O)[C@@H]1CC(=O)N1 527a_100102657272_100016090685 [0,0,0,1,1,0|2,0,0]=4 3171 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,0,0,1,0,1|2,0,0]=4 3172 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,0,0,1,0,1|2,0,0]=4 3173 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,0,0,1,0,1|2,0,0]=4 3174 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,0,0,1,0,1|2,0,0]=4 3175 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,0,0,1,0,1|2,0,0]=4 3176 B11R1.23 CCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210202 [0,0,0,1,0,1|2,0,0]=4 3177 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,0,0,1,0,1|2,0,0]=4 3178 B11R1.23 CNC(=O)C1CCNC(=O)C1 11a_106832991635_100000132800 [0,0,0,1,0,1|2,0,0]=4 3179 B11R1.23 CNC(=O)C1CCNC(=O)C1 1626a_100102657272_100000132800 [0,0,0,1,0,1|2,0,0]=4 3180 B11R1.23 CNC(=O)C1CCNC(=O)C1 240690a_100102657272_100000132800 [0,0,0,1,0,1|2,0,0]=4 3181 B11R1.23 CNC(=O)C1CCNC(=O)C1 527a_100102657272_100000132800 [0,0,0,1,0,1|2,0,0]=4 3182 B11R1.23 CNC(=O)C1CSCC(=O)N1 240690a_100102657272_100000045068 [0,0,0,1,0,1|2,0,0]=4 3183 B11R1.23 CNC(=O)C1CSCC(=O)N1 527a_100102657272_100000045068 [0,0,0,1,0,1|2,0,0]=4 3184 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 240690a_100102657272_100000705292 [0,0,0,1,0,1|2,0,0]=4 3185 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 527a_100102657272_100000705292 [0,0,0,1,0,1|2,0,0]=4 3186 B11R1.39 C#CC(=O)CC1CNC(=O)O1 1458a_100000211873_100000181169 [0,0,0,1,0,1|1,0,1]=4 3187 B11R1.39 C#CC(=O)CC1COC(=O)O1 1458a_100000211873_100000073702 [0,0,0,1,0,1|1,0,1]=4 3188 B11R1.39 C=CC(=O)CC1CNC(=O)O1 1458a_100000185746_100000181169 [0,0,0,1,0,1|1,0,1]=4 3189 B11R1.39 C=CC(=O)CC1COC(=O)O1 1458a_100000185746_100000073702 [0,0,0,1,0,1|1,0,1]=4 3190 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [0,0,0,1,0,1|2,0,0]=4 3191 B11R1.39 CCC(=O)CC1CNC(=O)O1 1458a_100000210414_100000181169 [0,0,0,1,0,1|1,0,0]=3 3192 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [0,0,0,1,0,1|1,0,0]=3 3193 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [0,0,0,1,0,1|2,0,0]=4 3194 B11R1.39 CCC(=O)C[C@H]1COC(=O)N1 1458a_100000210414_100015307671 [0,0,0,1,0,1|2,0,0]=4 3195 B11R1.39 CNC(=O)CC1CCC(=O)N1 1626a_100102657272_100000026770 [0,0,0,1,0,1|2,0,0]=4 3196 B11R1.39 CNC(=O)CC1CCC(=O)N1 240690a_100102657272_100000026770 [0,0,0,1,0,1|2,0,0]=4 3197 B11R1.39 COC(=O)CN1CCC(C1)O 2230a_100011215560_100000747449 [0,0,0,1,0,1|1,0,1]=4 3198 B11R1.39 COC(=O)CN1CCC(C1)O 269982a_100011215560_100000747449 [0,0,0,1,0,1|1,0,1]=4 3199 B11R1.39 COC(=O)CN1CNC(=O)C1 2230a_200000708111_100000747449 [0,0,0,1,0,1|2,0,0]=4 3200 B11R1.39 O=C(CO)CC1CNC(=O)O1 1458a_100000210174_100000181169 [0,0,0,1,0,1|2,0,0]=4 3201 B11R1.39 O=C(CO)CC1COC(=O)O1 1458a_100000210174_100000073702 [0,0,0,1,0,1|2,0,0]=4 3202 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [0,0,0,1,0,1|2,0,0]=4 3203 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [0,0,0,1,0,1|2,0,0]=4 3204 B11R1.75 CC(=O)NCC1CNC(=O)C1 11a_100016993742_100015343762 [0,0,0,1,0,1|2,0,0]=4 3205 B11R1.75 CC(=O)NCC1CNC(=O)C1 1626a_100016993742_100015343762 [0,0,0,1,0,1|2,0,0]=4 3206 B11R1.75 CC(=O)NCC1CNC(=O)C1 240690a_100016993742_100015343762 [0,0,0,1,0,1|2,0,0]=4 3207 B11R1.75 CC(=O)NCC1CNC(=O)C1 527a_100016993742_100103153847 [0,0,0,1,0,1|2,0,0]=4 3208 B11R1.75 NC(=O)CCN1CNC(=O)C1 2230a_200000708111_100000744528 [0,0,0,1,0,1|2,0,0]=4 3209 B11R1.75 NC(=O)CNC1CNC(=O)C1 2230a_100000697751_100000747473 [0,0,0,1,0,1|2,0,0]=4 3210 B11R1.75 NC(=O)COC1CCC(=O)C1 34a_100012614533_100000187820 [0,0,0,1,0,1|2,0,0]=4 3211 B11R1.75 NC(=O)COC1CNC(=O)C1 34a_100000690082_100000187820 [0,0,0,1,0,1|2,0,0]=4 3212 B11R1.75 NC(=O)CSC1COC(=O)O1 62a_100000747473_100000032252 [0,0,0,1,0,1|2,0,0]=4 3213 B11R1.75 O=C([O-])COC1CCC(=O)C1 34a_100012614533_100020667443 [0,0,0,1,0,1|1,0,1]=4 3214 B11R1.75 O=C([O-])COC1CNC(=O)C1 34a_100000690082_100020667443 [0,0,0,1,0,1|1,0,1]=4 3215 B11R1.75 O=C([O-])CSC1COC(=O)O1 62a_100020667443_100000032252 [0,0,0,1,0,1|1,0,1]=4 3216 B11R1.161 CC(=O)CCOC1CCC1=O 34a_100000759926_100009892977 [0,0,0,1,0,1|2,0,0]=4 3217 B11R1.161 CC(=O)CCOC1CCC1=O 7a_100000759926_100009892977 [0,0,0,1,0,1|2,0,0]=4 3218 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100000053229_100009892977 [0,0,0,1,0,1|2,0,0]=4 3219 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100009892977_100000053229 [0,0,0,1,0,1|2,0,0]=4 3220 B11R1.161 NC(=O)CCOC1CCC1=O 34a_100000757172_100009892977 [0,0,0,1,0,1|2,0,0]=4 3221 B11R1.161 NC(=O)CCOC1CCC1=O 7a_100000757172_100009892977 [0,0,0,1,0,1|2,0,0]=4 3222 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100000744528_100009892977 [0,0,0,1,0,1|2,0,0]=4 3223 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100009892977_100000744528 [0,0,0,1,0,1|2,0,0]=4 3224 B11R1.161 O=C(O)CONC1CCC1=O 269956a_100000106656_100009892977 [0,0,0,1,0,1|2,0,0]=4 3225 B11R1.224 C=C1CC(C1)NCC(=O)OC 2230a_100132301982_100000747449 [0,0,0,1,0,1|2,0,0]=4 3226 B11R1.224 CCC(=O)CSC1CC(=O)C1 62a_100009894365_100000747405 [0,0,0,1,0,1|2,0,0]=4 3227 B11R1.224 CNC(=O)CSC1CC(=O)C1 62a_100009894365_100000183359 [0,0,0,1,0,1|2,0,0]=4 3228 B11R1.224 COC(=O)CCN1CC(C1)O 269982a_100000749847_100000204255 [0,0,0,1,0,1|1,0,1]=4 3229 B11R1.224 COC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000747449 [0,0,0,1,0,1|1,0,1]=4 3230 B11R1.224 COC(=O)CSC1CC(=O)C1 62a_100009894365_100000747449 [0,0,0,1,0,1|1,0,0]=3 3231 B11R1.237 COC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000742370 [0,0,0,1,0,1|1,0,1]=4 3232 B11R1.237 COC(=O)CCSCC1CO1 62a_100000204255_102125554688 [0,0,0,1,0,1|1,0,1]=4 3233 B11R1.237 COC(=O)CCSCC1CO1 62a_102125554688_100000204255 [0,0,0,1,0,1|1,0,1]=4 3234 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000204255_100000745022 [0,0,0,1,0,1|1,0,1]=4 3235 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000204255 [0,0,0,1,0,1|1,0,1]=4 3236 B11R1.237 COC(=O)COCC[C@@H]1CO1 34a_100009820653_100000747449 [0,0,0,1,0,1|1,0,1]=4 3237 B11R1.237 COC(=O)CSCCC1CO1 62a_100000732470_100000747449 [0,0,0,1,0,1|1,0,1]=4 3238 B11R1.237 COC(=O)CSCCC1CO1 62a_100000747449_100000732470 [0,0,0,1,0,1|1,0,1]=4 3239 B11R1.849 C=C(C)CN1CC1C(=O)OC 2230a_200009830135_100000748629 [0,0,0,1,0,1|2,0,0]=4 3240 B11R1.849 C=C(F)CN1CC1C(=O)OC 2230a_200009830135_100009893438 [0,0,0,1,0,1|2,0,0]=4 3241 B11R1.849 COC(=O)C1CN1CC(=O)N 2230a_200009830135_100000747473 [0,0,0,1,0,1|1,0,0]=3 3242 B11R1.849 COC(=O)C1CN1CC(C)O 2230a_200009830135_100011218427 [0,0,0,1,0,1|1,0,1]=4 3243 B11R1.849 COC(=O)C1CN1C[C@@H](C)O 2230a_200009830135_100009817552 [0,0,0,1,0,1|1,0,1]=4 3244 B11R1.870 CCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210202 [0,0,0,1,0,1|2,0,0]=4 3245 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 11a_106832991635_200015362969 [0,0,0,1,0,1|2,0,0]=4 3246 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 1626a_100102657272_200015362969 [0,0,0,1,0,1|2,0,0]=4 3247 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 240690a_100102657272_200015362969 [0,0,0,1,0,1|2,0,0]=4 3248 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 527a_100102657272_200015362969 [0,0,0,1,0,1|2,0,0]=4 3249 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 11a_102516456887_100015343762 [0,0,0,1,0,1|1,0,0]=3 3250 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 1626a_102516456887_100015343762 [0,0,0,1,0,1|1,0,0]=3 3251 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 240690a_102516456887_100015343762 [0,0,0,1,0,1|1,0,0]=3 3252 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 527a_102516456887_100103153847 [0,0,0,1,0,1|1,0,0]=3 3253 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)C 1458a_100009908320_200000210301 [0,0,0,1,0,1|1,0,0]=3 3254 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)[13CH3] 1458a_100009908320_200025704644 [0,0,0,1,0,1|1,0,0]=3 3255 B11R1.870 COC(C)N1CCC1C(=O)O 269956a_100000021838_100009879195 [0,0,0,1,0,1|1,0,1]=4 3256 B11R1.15 C#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000184674 [0,1,0,1,0,0|1,0,1]=4 3257 B11R1.15 C=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210623 [0,1,0,1,0,0|1,0,1]=4 3258 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,1,0,1,0,0|2,0,0]=4 3259 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,1,0,1,0,0|1,0,0]=3 3260 B11R1.15 CCNC(=O)C1CCC(=O)N1 240690a_100015525214_100000210400 [0,1,0,1,0,0|2,0,0]=4 3261 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,1,0,1,0,0|1,0,0]=3 3262 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,1,0,1,0,0|1,0,0]=3 3263 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,1,0,1,0,0|1,0,0]=3 3264 B11R1.15 CNNC(=O)C1CCC(=O)N1 22a_100016993582_100000210400 [0,1,0,1,0,0|2,0,0]=4 3265 B11R1.15 CNNC(=O)[C@@H]1CCC(=O)O1 22a_100016993582_100009814974 [0,1,0,1,0,0|1,0,0]=3 3266 B11R1.15 N#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011214920 [0,1,0,1,0,0|1,0,1]=4 3267 B11R1.15 O=C1CCC(N1)C(=O)CCF 1458a_100000210400_100011217306 [0,1,0,1,0,0|2,0,0]=4 3268 B11R1.15 O=C1CCC(N1)C(=O)CCO 1458a_100000210400_100000211926 [0,1,0,1,0,0|2,0,0]=4 3269 B11R1.15 O=C1CC[C@H](O1)C(=O)CCF 1458a_100009814974_100011217306 [0,1,0,1,0,0|1,0,0]=3 3270 B11R1.15 O=C1CC[C@H](O1)C(=O)CCO 1458a_100009814974_100000211926 [0,1,0,1,0,0|1,0,0]=3 3271 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|1,0,0]=3 3272 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,1,0,1,0,0|2,0,0]=4 3273 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,1,0,1,0,0|2,0,0]=4 3274 B11R1.90 NC(=O)CNC1CCOC1=O 2230a_100000711301_100000211211 [0,1,0,1,0,0|2,0,0]=4 3275 B11R1.90 NC(=O)CN[C@@H]1CONC1=O 2230a_100000765999_100000747473 [0,1,0,1,0,0|2,0,0]=4 3276 B11R1.90 NC(=O)CN[C@@H]1CONC1=O 34a_100000765999_100000187820 [0,1,0,1,0,0|2,0,0]=4 3277 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000211211_100000747473 [0,1,0,1,0,0|2,0,0]=4 3278 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000747473_100000211211 [0,1,0,1,0,0|2,0,0]=4 3279 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,1,0,1,0,0|2,0,0]=4 3280 B11R1.90 O=C([O-])CN[C@@H]1CONC1=O 34a_100000765999_100020667443 [0,1,0,1,0,0|1,0,1]=4 3281 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100000211211_100020667443 [0,1,0,1,0,0|1,0,1]=4 3282 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100020667443_100000211211 [0,1,0,1,0,0|1,0,1]=4 3283 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|1,0,0]=3 3284 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,1,0,1,0,0|2,0,0]=4 3285 B11R1.120 COCN1CC(C1)CC(=O)O 269956a_100016993960_100000766300 [0,1,0,1,0,0|2,0,0]=4 3286 B11R1.157 NC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747473 [0,1,0,1,0,0|2,0,0]=4 3287 B11R1.201 CC#CC(=O)CC1CC(=O)C1 1458a_100000763181_100009874392 [0,1,0,1,0,0|2,0,0]=4 3288 B11R1.201 CC=CC(=O)CC1CC(=O)C1 1458a_100000210699_100009874392 [0,1,0,1,0,0|2,0,0]=4 3289 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,1,0,1,0,0|2,0,0]=4 3290 B11R1.201 COCC(=O)CC1CC(=O)C1 1458a_100000210968_100009874392 [0,1,0,1,0,0|1,0,0]=3 3291 B11R1.201 CSCC(=O)CC1CC(=O)C1 1458a_100000184570_100009874392 [0,1,0,1,0,0|1,1,0]=4 3292 B11R1.201 O=C(CCO)CC1CC(=O)C1 1458a_100011216618_100009874392 [0,1,0,1,0,0|2,0,0]=4 3293 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,1,0,1,0,0|1,0,1]=4 3294 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,1,0,1,0,0|2,0,0]=4 3295 B11R1.720 CC(=O)CCCC(=O)C1CO1 1458a_100000701028_100011215641 [0,1,0,1,0,0|1,0,0]=3 3296 B11R1.720 CC(=O)NCCC(=O)C1CO1 1458a_100000701028_100000189650 [0,1,0,1,0,0|2,0,0]=4 3297 B11R1.720 CC(=O)OCCC(=O)C1CO1 1458a_100000701028_100009814007 [0,1,0,1,0,0|2,0,0]=4 3298 B11R1.720 CC(O)CCCC(=O)C1CO1 1458a_100000701028_200000718107 [0,1,0,1,0,0|1,0,1]=4 3299 B11R1.720 NC(=O)CCCC(=O)C1CC1 1458a_100000210395_100102525003 [0,1,0,1,0,0|2,0,0]=4 3300 B11R1.720 NC(=O)CCCC(=O)C1CO1 1458a_100000701028_100102525003 [0,1,0,1,0,0|1,0,0]=3 3301 B11R1.720 NC(=O)CCNC(=O)C1CO1 11a_100000740010_100000701028 [0,1,0,1,0,0|2,0,0]=4 3302 B11R1.720 NC(=O)CCNC(=O)C1CO1 240690a_100000740010_100000701028 [0,1,0,1,0,0|2,0,0]=4 3303 B11R1.720 NC(=O)CCNC(=O)C1CO1 527a_100000740010_100000701028 [0,1,0,1,0,0|2,0,0]=4 3304 B11R1.720 NC(=O)NCCC(=O)C1CO1 1458a_100000701028_200000034859 [0,1,0,1,0,0|2,0,0]=4 3305 B11R1.720 NC(=O)OCCC(=O)C1CO1 1458a_100000701028_200011214921 [0,1,0,1,0,0|2,0,0]=4 3306 B11R1.720 O=C(O)CNCC(=O)C1CC1 269956a_100016091260_100000746382 [0,1,0,1,0,0|2,0,0]=4 3307 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)C 1458a_100009818562_200000210301 [0,1,0,1,0,0|1,0,0]=3 3308 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)[13CH3] 1458a_100009818562_200025704644 [0,1,0,1,0,0|1,0,0]=3 3309 B11R1.141 CN(CC(=O)O)C1CCC1=O 269956a_100000746989_100009892977 [0,1,0,1,0,0|2,0,0]=4 3310 B11R1.21 CC(=O)C1CCC(=O)N(C1)C 1458a_100011430921_200000210301 [0,1,0,1,0,0|2,0,0]=4 3311 B11R1.21 CN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011430921_200025704644 [0,1,0,1,0,0|2,0,0]=4 3312 B11R1.22 CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210202 [0,1,0,1,0,0|2,0,0]=4 3313 B11R1.22 CNC(=O)C1CCC(=O)NC1 11a_106832991635_100000740907 [0,1,0,1,0,0|2,0,0]=4 3314 B11R1.22 CNC(=O)C1CCC(=O)NC1 1626a_100102657272_100000740907 [0,1,0,1,0,0|2,0,0]=4 3315 B11R1.22 CNC(=O)C1CCC(=O)NC1 240690a_100102657272_100000740907 [0,1,0,1,0,0|2,0,0]=4 3316 B11R1.22 CNC(=O)C1CCC(=O)NC1 527a_100102657272_100000740907 [0,1,0,1,0,0|2,0,0]=4 3317 B11R1.22 O=C1CCC(CN1)C(=O)CF 1458a_100000740907_100015361967 [0,1,0,1,0,0|2,0,0]=4 3318 B11R1.853 COC(=O)C1CC(C1)C(=O)C 1458a_100000070787_100009897219 [0,1,0,1,0,0|1,0,0]=3 3319 B11R1.853 COC(=O)C1CN(C1)C(=O)C 240690a_100015188540_100015343762 [0,1,0,1,0,0|2,0,0]=4 3320 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [0,1,0,1,0,0|1,0,1]=4 3321 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [0,1,0,1,0,0|1,0,1]=4 3322 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [0,1,0,1,0,0|1,0,1]=4 3323 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [0,1,0,1,0,0|1,0,1]=4 3324 B11R1.223 C#CC(=O)CCC1CCC1=O 1458a_100000211873_200016118888 [0,1,0,1,0,0|2,0,0]=4 3325 B11R1.223 C=CC(=O)CCC1CCC1=O 1458a_100000185746_200016118888 [0,1,0,1,0,0|2,0,0]=4 3326 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,1,0,1,0,0|2,0,0]=4 3327 B11R1.223 COC(=O)CSC1CCC1=O 62a_100000747449_100009892977 [0,1,0,1,0,0|2,0,0]=4 3328 B11R1.223 COC(=O)CSC1CCC1=O 62a_100009892977_100000747449 [0,1,0,1,0,0|2,0,0]=4 3329 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [0,1,0,1,0,0|1,0,0]=3 3330 B11R1.851 C=CC(=O)N1CC1C(=O)OC 240690a_200009830135_200121576911 [0,1,0,1,0,0|2,0,0]=4 3331 B11R1.851 CCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210202 [0,1,0,1,0,0|1,0,0]=3 3332 B11R1.851 CCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000210414 [0,1,0,1,0,0|2,0,0]=4 3333 B11R1.851 CNC(=O)C1CC1C(=O)OC 11a_106832991635_100000750770 [0,1,0,1,0,0|1,0,0]=3 3334 B11R1.851 CNC(=O)C1CC1C(=O)OC 240690a_100102657272_100000750770 [0,1,0,1,0,0|1,0,0]=3 3335 B11R1.851 COC(=O)C1CC1C(=O)CF 1458a_100000750770_100015361967 [0,1,0,1,0,0|1,0,0]=3 3336 B11R1.851 COC(=O)C1CN1C(=O)CO 240690a_200009830135_100000210174 [0,1,0,1,0,0|1,0,0]=3 3337 B11R1.865 CCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210202 [0,1,0,1,0,0|2,0,0]=4 3338 B11R1.865 CN1C(=O)CC[C@@H]1C(=O)CF 1458a_100010979499_100015361967 [0,1,0,1,0,0|2,0,0]=4 3339 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 11a_106832991635_100010979499 [0,1,0,1,0,0|2,0,0]=4 3340 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 1626a_100102657272_100010979499 [0,1,0,1,0,0|2,0,0]=4 3341 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 240690a_100102657272_100010979499 [0,1,0,1,0,0|2,0,0]=4 3342 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 527a_100102657272_100010979499 [0,1,0,1,0,0|2,0,0]=4 3343 B11R1.142 C[C@H](NC1CCC1=O)C(=O)O 269956a_100000743915_100009892977 [0,1,0,1,0,0|2,0,0]=4 3344 B11R1.220 CC(=O)C1(COC(=O)OC1)C 1458a_100000145666_200000210301 [0,1,0,1,0,0|2,0,0]=4 3345 B11R1.220 CC1(COC(=O)OC1)C(=O)[13CH3] 1458a_100000145666_200025704644 [0,1,0,1,0,0|2,0,0]=4 3346 B11R1.314 CC(C)C(=O)C1CCC(=O)N1 1458a_100000210400_100000210206 [0,1,0,1,0,0|2,0,0]=4 3347 B11R1.314 CC(C)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210206 [0,1,0,1,0,0|1,0,0]=3 3348 B11R1.314 CN(C)C(=O)C1CCC(=O)N1 240690a_100102631434_100000210400 [0,1,0,1,0,0|2,0,0]=4 3349 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100102631434_100009814974 [0,1,0,1,0,0|1,0,0]=3 3350 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100102631434_100009814974 [0,1,0,1,0,0|1,0,0]=3 3351 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100102631434_100009814974 [0,1,0,1,0,0|1,0,0]=3 3352 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100102631434_100009814974 [0,1,0,1,0,0|1,0,0]=3 3353 B11R1.153 C=C(C)C(=O)CC1CC(=O)C1 1458a_100000185857_100009874392 [0,1,0,1,0,0|2,0,0]=4 3354 B11R1.153 CC(C)C(=O)CC1CC(=O)C1 1458a_100000210198_100009874392 [0,1,0,1,0,0|2,0,0]=4 3355 B11R1.153 CC(F)C(=O)CC1CC(=O)C1 1458a_100000062450_100009874392 [0,1,0,1,0,0|2,0,0]=4 3356 B11R1.153 C[C@@H](O)C(=O)CC1CC(=O)C1 1458a_100000717761_100009874392 [0,1,0,1,0,0|2,0,0]=4 3357 B11R1.153 C[C@H](O)C(=O)CC1CC(=O)C1 1458a_217856618621_100009874392 [0,1,0,1,0,0|2,0,0]=4 3358 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,1,0|2,0,0]=4 3359 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,1,0|2,0,0]=4 3360 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,1,0|2,0,0]=4 3361 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,1,0|1,0,0]=3 3362 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,1,0|1,0,1]=4 3363 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,0,0,0,1,0|1,0,1]=4 3364 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,0,0,1,0|2,0,0]=4 3365 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,0,0,1,0|2,0,0]=4 3366 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,0,0,1,0|2,0,0]=4 3367 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,0,0,0,1,0|2,0,0]=4 3368 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,0,0,0,1,0|2,0,0]=4 3369 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,0,0,0,1,0|2,0,0]=4 3370 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,0,0,0,1,0|2,0,0]=4 3371 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,0,0,1,0|2,0,0]=4 3372 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,0,0,1,0|2,0,0]=4 3373 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,0,0,0,1,0|2,0,0]=4 3374 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,1,0|1,0,0]=3 3375 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,0,0,0,1,0|1,0,1]=4 3376 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,0,0,1,0|2,0,0]=4 3377 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,2,0|2,0,0]=4 3378 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,2,0|2,0,0]=4 3379 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,2,0|2,0,0]=4 3380 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,2,0|1,0,1]=4 3381 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,2,0|2,0,0]=4 3382 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,2,0|2,0,0]=4 3383 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,2,0|2,0,0]=4 3384 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,2,0|1,0,0]=3 3385 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,2,0|1,0,0]=3 3386 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,2,0|1,0,0]=3 3387 B11R0.111 C=C(Br)CCOCCC(=O)OC 34a_100009813270_100000742370 [0,0,0,0,0,2|2,0,0]=4 3388 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [0,0,0,0,0,2|2,0,0]=4 3389 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [0,0,0,0,0,2|2,0,0]=4 3390 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [0,0,0,0,0,2|2,0,0]=4 3391 B11R0.111 C=C(C)CCSCOC(=O)OC 62a_100000730704_100000139417 [0,0,0,0,0,2|2,0,0]=4 3392 B11R0.111 C=C(C)COCCCC(=O)OC 34a_100000210245_100000742333 [0,0,0,0,0,2|2,0,0]=4 3393 B11R0.111 C=C(C)COCCNC(=O)OC 34a_100000757965_100000748629 [0,0,0,0,0,2|2,0,0]=4 3394 B11R0.111 C=C(C)COCCOC(=O)OC 34a_100010262106_100000748629 [0,0,0,0,0,2|2,0,0]=4 3395 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100000748629_100011218270 [0,0,0,0,0,2|2,0,0]=4 3396 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100011218270_100000211660 [0,0,0,0,0,2|2,0,0]=4 3397 B11R0.111 C=C(F)COCCCC(=O)OC 34a_200010262243_100000742333 [0,0,0,0,0,2|2,0,0]=4 3398 B11R0.111 C=C(F)COCCNC(=O)OC 34a_100000757965_100009893438 [0,0,0,0,0,2|2,0,0]=4 3399 B11R0.111 C=C(F)COCCOC(=O)OC 34a_100010262106_100009893438 [0,0,0,0,0,2|2,0,0]=4 3400 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100000042424_100011218270 [0,0,0,0,0,2|2,0,0]=4 3401 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100011218270_100000042424 [0,0,0,0,0,2|2,0,0]=4 3402 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,0,0,0,0,2|2,0,0]=4 3403 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,0,0,0,0,2|2,0,0]=4 3404 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,0,0,0,0,2|2,0,0]=4 3405 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,0,0,0,0,2|2,0,0]=4 3406 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,0,0,0,0,2|2,0,0]=4 3407 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,0,0,0,0,2|2,0,0]=4 3408 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [0,0,0,0,0,2|2,0,0]=4 3409 B11R0.111 CCC(=O)COCCOC(=O)N 34a_100000725409_200011214921 [0,0,0,0,0,2|2,0,0]=4 3410 B11R0.111 CCC(=O)COCCOC(=O)N 7a_100000766696_100000747405 [0,0,0,0,0,2|2,0,0]=4 3411 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,0,0,0,0,2|2,0,0]=4 3412 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,0,0,0,0,2|2,0,0]=4 3413 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,0,0,0,0,2|2,0,0]=4 3414 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,0,0,0,0,2|2,0,0]=4 3415 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000189650_100000747405 [0,0,0,0,0,2|2,0,0]=4 3416 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000747405_100000189650 [0,0,0,0,0,2|2,0,0]=4 3417 B11R0.111 CCC(=O)CSCCNC(=O)N 62a_100000747405_200000034859 [0,0,0,0,0,2|2,0,0]=4 3418 B11R0.111 CCC(=O)CSCCNC(=O)N 62a_200000034859_100000747405 [0,0,0,0,0,2|2,0,0]=4 3419 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100000747405_100009814007 [0,0,0,0,0,2|2,0,0]=4 3420 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100009814007_100000747405 [0,0,0,0,0,2|2,0,0]=4 3421 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_100000747405_200011214921 [0,0,0,0,0,2|2,0,0]=4 3422 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_200011214921_100000747405 [0,0,0,0,0,2|2,0,0]=4 3423 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,0,0,0,0,2|2,0,0]=4 3424 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,0,0,0,0,2|2,0,0]=4 3425 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,0,0,0,0,2|2,0,0]=4 3426 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,0,0,0,0,2|2,0,0]=4 3427 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [0,0,0,0,0,2|2,0,0]=4 3428 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [0,0,0,0,0,2|2,0,0]=4 3429 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [0,0,0,0,0,2|2,0,0]=4 3430 B11R0.111 CCC(=O)NCCNCC(=O)N 34a_100132302217_100000187820 [0,0,0,0,0,2|2,0,0]=4 3431 B11R0.111 CCC(=O)NCCNCC(=O)[O-] 34a_100132302217_100020667443 [0,0,0,0,0,2|1,0,1]=4 3432 B11R0.111 CCC(=O)NCCOCC(=O)N 34a_200000158885_100000187820 [0,0,0,0,0,2|2,0,0]=4 3433 B11R0.111 CCC(=O)NCCOCC(=O)N 7a_200000158885_100000187820 [0,0,0,0,0,2|2,0,0]=4 3434 B11R0.111 CCC(=O)NCCOCC(=O)[O-] 34a_200000158885_100020667443 [0,0,0,0,0,2|1,0,1]=4 3435 B11R0.111 CCC(=O)OCCOCC(=O)N 7a_200000031056_100000187820 [0,0,0,0,0,2|2,0,0]=4 3436 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000711301_100000741757 [0,0,0,0,0,2|2,0,0]=4 3437 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000740002_100000747473 [0,0,0,0,0,2|2,0,0]=4 3438 B11R0.111 CNC(=O)CCCNCC(=O)N 34a_100000740002_100000187820 [0,0,0,0,0,2|2,0,0]=4 3439 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [0,0,0,0,0,2|1,0,0]=3 3440 B11R0.111 CNC(=O)CCCNCC(=O)[O-] 34a_100000740002_100020667443 [0,0,0,0,0,2|1,0,1]=4 3441 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,0,0,0,0,2|2,0,0]=4 3442 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000741757_100000747473 [0,0,0,0,0,2|2,0,0]=4 3443 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000747473_100000741757 [0,0,0,0,0,2|2,0,0]=4 3444 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100000741757_100020667443 [0,0,0,0,0,2|1,0,1]=4 3445 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100020667443_100000741757 [0,0,0,0,0,2|1,0,1]=4 3446 B11R0.111 CNC(=O)CCNCCC(=O)N 2230a_100000738227_100000744528 [0,0,0,0,0,2|2,0,0]=4 3447 B11R0.111 CNC(=O)CCNCCC(=O)N 34a_100000738227_100000731001 [0,0,0,0,0,2|2,0,0]=4 3448 B11R0.111 CNC(=O)CCNCOC(=O)C 34a_100000738227_100009813279 [0,0,0,0,0,2|2,0,0]=4 3449 B11R0.111 CNC(=O)CCNOCC(=O)O 269956a_100000106656_100000737683 [0,0,0,0,0,2|1,0,0]=3 3450 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,0,0,0,0,2|2,0,0]=4 3451 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,0,0,0,0,2|2,0,0]=4 3452 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000754576_100000731001 [0,0,0,0,0,2|2,0,0]=4 3453 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000757172_100012179268 [0,0,0,0,0,2|2,0,0]=4 3454 B11R0.111 CNC(=O)CCOCCC(=O)N 7a_100000757172_100000737683 [0,0,0,0,0,2|2,0,0]=4 3455 B11R0.111 CNC(=O)CCOCOC(=O)C 34a_100000754576_100009813279 [0,0,0,0,0,2|2,0,0]=4 3456 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,0,0,0,0,2|2,0,0]=4 3457 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,0,0,0,0,2|2,0,0]=4 3458 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000737683_100000744528 [0,0,0,0,0,2|2,0,0]=4 3459 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000744528_100000737683 [0,0,0,0,0,2|2,0,0]=4 3460 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000076356_100000737683 [0,0,0,0,0,2|2,0,0]=4 3461 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000737683_100000076356 [0,0,0,0,0,2|2,0,0]=4 3462 B11R0.111 CNC(=O)CNCCCC(=O)N 34a_100000739312_100000183359 [0,0,0,0,0,2|2,0,0]=4 3463 B11R0.111 CNC(=O)CNCCNC(=O)C 2230a_100000209853_100000183359 [0,0,0,0,0,2|2,0,0]=4 3464 B11R0.111 CNC(=O)CNCCNC(=O)C 2230a_100000693194_100000189650 [0,0,0,0,0,2|2,0,0]=4 3465 B11R0.111 CNC(=O)CNCCNC(=O)N 2230a_100000693194_200000034859 [0,0,0,0,0,2|2,0,0]=4 3466 B11R0.111 CNC(=O)CNCCNC(=O)N 34a_100020590234_100000183359 [0,0,0,0,0,2|2,0,0]=4 3467 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [0,0,0,0,0,2|2,0,0]=4 3468 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [0,0,0,0,0,2|2,0,0]=4 3469 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [0,0,0,0,0,2|2,0,0]=4 3470 B11R0.111 CNC(=O)COCCCC(=O)N 34a_100000750040_100102525003 [0,0,0,0,0,2|2,0,0]=4 3471 B11R0.111 CNC(=O)COCCNC(=O)C 34a_100000158858_100000183359 [0,0,0,0,0,2|2,0,0]=4 3472 B11R0.111 CNC(=O)COCCNC(=O)N 34a_100000181757_100000183359 [0,0,0,0,0,2|2,0,0]=4 3473 B11R0.111 CNC(=O)COCCOC(=O)C 34a_100000750040_100009814007 [0,0,0,0,0,2|2,0,0]=4 3474 B11R0.111 CNC(=O)COCCOC(=O)N 34a_100000750040_200011214921 [0,0,0,0,0,2|2,0,0]=4 3475 B11R0.111 CNC(=O)COCCOC(=O)N 7a_100000766696_100000183359 [0,0,0,0,0,2|2,0,0]=4 3476 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [0,0,0,0,0,2|2,0,0]=4 3477 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [0,0,0,0,0,2|2,0,0]=4 3478 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100000183359_100102525003 [0,0,0,0,0,2|2,0,0]=4 3479 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100102525003_100000183359 [0,0,0,0,0,2|2,0,0]=4 3480 B11R0.111 CNC(=O)CSCCNC(=O)C 62a_100000183359_100000189650 [0,0,0,0,0,2|2,0,0]=4 3481 B11R0.111 CNC(=O)CSCCNC(=O)C 62a_100000189650_100000183359 [0,0,0,0,0,2|2,0,0]=4 3482 B11R0.111 CNC(=O)CSCCNC(=O)N 62a_100000183359_200000034859 [0,0,0,0,0,2|2,0,0]=4 3483 B11R0.111 CNC(=O)CSCCNC(=O)N 62a_200000034859_100000183359 [0,0,0,0,0,2|2,0,0]=4 3484 B11R0.111 CNC(=O)CSCCOC(=O)C 62a_100000183359_100009814007 [0,0,0,0,0,2|2,0,0]=4 3485 B11R0.111 CNC(=O)CSCCOC(=O)C 62a_100009814007_100000183359 [0,0,0,0,0,2|2,0,0]=4 3486 B11R0.111 CNC(=O)CSCCOC(=O)N 62a_100000183359_200011214921 [0,0,0,0,0,2|2,0,0]=4 3487 B11R0.111 CNC(=O)CSCCOC(=O)N 62a_200011214921_100000183359 [0,0,0,0,0,2|2,0,0]=4 3488 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100000696515_100102657272 [0,0,0,0,0,2|2,0,0]=4 3489 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100102657272_100000696515 [0,0,0,0,0,2|2,0,0]=4 3490 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_100000696515_100102657272 [0,0,0,0,0,2|2,0,0]=4 3491 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_106832991638_100000696515 [0,0,0,0,0,2|2,0,0]=4 3492 B11R0.111 CNC(=O)NCCCNC(=O)C 2708a_100000736810_106832991635 [0,0,0,0,0,2|2,0,0]=4 3493 B11R0.111 CNC(=O)NCCCNC(=O)C 2708a_100102657272_100000736810 [0,0,0,0,0,2|2,0,0]=4 3494 B11R0.111 CNC(=O)NCCCNC(=O)C 273464a_100000736810_100102657272 [0,0,0,0,0,2|2,0,0]=4 3495 B11R0.111 CNC(=O)NCCCNC(=O)C 273464a_100102657272_100000736810 [0,0,0,0,0,2|2,0,0]=4 3496 B11R0.111 CNC(=O)NCCCNC(=O)C 512a_100000736810_100102657272 [0,0,0,0,0,2|2,0,0]=4 3497 B11R0.111 CNC(=O)NCCCNC(=O)C 512a_106832991638_100000736810 [0,0,0,0,0,2|2,0,0]=4 3498 B11R0.111 CNC(=O)NCCNCC(=O)N 34a_100015205895_100000187820 [0,0,0,0,0,2|2,0,0]=4 3499 B11R0.111 CNC(=O)NCCNCC(=O)[O-] 34a_100015205895_100020667443 [0,0,0,0,0,2|1,0,1]=4 3500 B11R0.111 CNC(=O)OCCOCC(=O)C 34a_100000211253_200011997002 [0,0,0,0,0,2|2,0,0]=4 3501 B11R0.111 CNC(=O)OCCSCC(=O)N 62a_100000747473_200011997002 [0,0,0,0,0,2|2,0,0]=4 3502 B11R0.111 CNC(=O)OCCSCC(=O)N 62a_200011997002_100000747473 [0,0,0,0,0,2|2,0,0]=4 3503 B11R0.111 CNC(=O)OCCSCC(=O)[O-] 62a_100020667443_200011997002 [0,0,0,0,0,2|1,0,1]=4 3504 B11R0.111 CNC(=O)OCCSCC(=O)[O-] 62a_200011997002_100020667443 [0,0,0,0,0,2|1,0,1]=4 3505 B11R0.111 COC(=O)/C=C/CNCC(=O)N 2230a_100000711301_100000742655 [0,0,0,0,0,2|1,0,1]=4 3506 B11R0.111 COC(=O)/C=C/COCC(=O)C 34a_100000211253_100000742655 [0,0,0,0,0,2|1,0,1]=4 3507 B11R0.111 COC(=O)/C=C/CSCC(=O)N 62a_100000742655_100000747473 [0,0,0,0,0,2|1,0,1]=4 3508 B11R0.111 COC(=O)/C=C/CSCC(=O)N 62a_100000747473_100000742655 [0,0,0,0,0,2|1,0,1]=4 3509 B11R0.111 COC(=O)/C=C/CSCC(=O)[O-] 62a_100000742655_100020667443 [0,0,0,0,0,2|0,0,2]=4 3510 B11R0.111 COC(=O)/C=C/CSCC(=O)[O-] 62a_100020667443_100000742655 [0,0,0,0,0,2|0,0,2]=4 3511 B11R0.111 COC(=O)CCC=NNC(=O)C 4a_100000189765_100012047195 [0,0,0,0,0,2|1,0,1]=4 3512 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,0,0,0,0,2|1,0,0]=3 3513 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,0,0,0,0,2|1,0,0]=3 3514 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,0,0,0,0,2|1,0,0]=3 3515 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,0,0,0,0,2|1,0,0]=3 3516 B11R0.111 COC(=O)CCCNCC(=O)N 2230a_100000711301_100011218270 [0,0,0,0,0,2|1,0,0]=3 3517 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,0,0,0,0,2|0,0,0]=2 3518 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,0,0,0,0,2|1,0,1]=4 3519 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,0,0,0,0,2|1,0,1]=4 3520 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,0,0,0,0,2|1,0,0]=3 3521 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100000747473_100011218270 [0,0,0,0,0,2|1,0,0]=3 3522 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100011218270_100000747473 [0,0,0,0,0,2|1,0,0]=3 3523 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100011218270_100020667443 [0,0,0,0,0,2|0,0,1]=3 3524 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011218270 [0,0,0,0,0,2|0,0,1]=3 3525 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,0,0,0,0,2|1,0,1]=4 3526 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,0,0,0,0,2|1,0,1]=4 3527 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,0,0,0,0,2|1,0,1]=4 3528 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,0,0,0,0,2|1,0,1]=4 3529 B11R0.111 COC(=O)CCCSC[N+](=O)[O-] 62a_100011218270_100000761209 [0,0,0,0,0,2|1,0,1]=4 3530 B11R0.111 COC(=O)CCNCC=C(C)C 34a_100000718196_100000742370 [0,0,0,0,0,2|2,0,0]=4 3531 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,0,0,0,0,2|1,0,1]=4 3532 B11R0.111 COC(=O)CCNOCC(=O)O 269956a_100000106656_100000204255 [0,0,0,0,0,2|0,0,0]=2 3533 B11R0.111 COC(=O)CCOCC=C(C)C 34a_100000753907_100000742370 [0,0,0,0,0,2|2,0,0]=4 3534 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,0,0,0,0,2|1,0,0]=3 3535 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,0,0,0,0,2|1,0,0]=3 3536 B11R0.111 COC(=O)CCOCCC(=O)N 34a_100000757172_100000742370 [0,0,0,0,0,2|1,0,0]=3 3537 B11R0.111 COC(=O)CCOCCC(=O)N 7a_100000757172_100000204255 [0,0,0,0,0,2|1,0,0]=3 3538 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000204255_100000761012 [0,0,0,0,0,2|2,0,0]=4 3539 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000761012_100000204255 [0,0,0,0,0,2|2,0,0]=4 3540 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,0,0,0,0,2|1,0,0]=3 3541 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,0,0,0,0,2|1,0,0]=3 3542 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000204255_100000744528 [0,0,0,0,0,2|1,0,0]=3 3543 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000744528_100000204255 [0,0,0,0,0,2|1,0,0]=3 3544 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,0,0,0,0,2|1,0,1]=4 3545 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,0,0,0,0,2|1,0,1]=4 3546 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000076356_100000204255 [0,0,0,0,0,2|1,0,0]=3 3547 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000204255_100000076356 [0,0,0,0,0,2|1,0,0]=3 3548 B11R0.111 COC(=O)CNCCCC(=O)N 34a_100000739312_100000747449 [0,0,0,0,0,2|1,0,0]=3 3549 B11R0.111 COC(=O)CNCCCS(=O)C 2230a_200000753449_100000747449 [0,0,0,0,0,2|2,0,0]=4 3550 B11R0.111 COC(=O)CNCCNC(=O)C 2230a_100000209853_100000747449 [0,0,0,0,0,2|1,0,0]=3 3551 B11R0.111 COC(=O)CNCCNC(=O)N 34a_100020590234_100000747449 [0,0,0,0,0,2|1,0,0]=3 3552 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,0,0,0,0,2|1,0,0]=3 3553 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,0,0,0,0,2|1,0,0]=3 3554 B11R0.111 COC(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000747449 [0,0,0,0,0,2|1,0,1]=4 3555 B11R0.111 COC(=O)COCCNC(=O)C 34a_100000158858_100000747449 [0,0,0,0,0,2|1,0,0]=3 3556 B11R0.111 COC(=O)COCCNC(=O)N 34a_100000181757_100000747449 [0,0,0,0,0,2|1,0,0]=3 3557 B11R0.111 COC(=O)COCCOC(=O)N 7a_100000766696_100000747449 [0,0,0,0,0,2|1,0,0]=3 3558 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100000747449_100011217483 [0,0,0,0,0,2|2,0,0]=4 3559 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100011217483_100000747449 [0,0,0,0,0,2|2,0,0]=4 3560 B11R0.111 COC(=O)CSCCC=C(F)F 62a_100000747449_200009816681 [0,0,0,0,0,2|2,0,0]=4 3561 B11R0.111 COC(=O)CSCCC=C(F)F 62a_200009816681_100000747449 [0,0,0,0,0,2|2,0,0]=4 3562 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,0,0,0,0,2|1,0,0]=3 3563 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,0,0,0,0,2|1,0,0]=3 3564 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100000747449_100102525003 [0,0,0,0,0,2|1,0,0]=3 3565 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100102525003_100000747449 [0,0,0,0,0,2|1,0,0]=3 3566 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,0,0,0,0,2|1,0,1]=4 3567 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,0,0,0,0,2|1,0,1]=4 3568 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000189650_100000747449 [0,0,0,0,0,2|1,0,0]=3 3569 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000747449_100000189650 [0,0,0,0,0,2|1,0,0]=3 3570 B11R0.111 COC(=O)CSCCNC(=O)N 62a_100000747449_200000034859 [0,0,0,0,0,2|1,0,0]=3 3571 B11R0.111 COC(=O)CSCCNC(=O)N 62a_200000034859_100000747449 [0,0,0,0,0,2|1,0,0]=3 3572 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100000747449_100009814007 [0,0,0,0,0,2|1,0,0]=3 3573 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100009814007_100000747449 [0,0,0,0,0,2|1,0,0]=3 3574 B11R0.111 COC(=O)CSCCOC(=O)N 62a_100000747449_200011214921 [0,0,0,0,0,2|1,0,0]=3 3575 B11R0.111 COC(=O)CSCCOC(=O)N 62a_200011214921_100000747449 [0,0,0,0,0,2|1,0,0]=3 3576 B11R0.111 COC(=O)NCCOCC(=O)N 34a_100000757965_100000187820 [0,0,0,0,0,2|1,0,0]=3 3577 B11R0.111 COC(=O)NCCOCC(=O)[O-] 34a_100000757965_100020667443 [0,0,0,0,0,2|0,0,1]=3 3578 B11R0.111 COC(=O)NCCOCC(C)O 34a_100000757965_100011218427 [0,0,0,0,0,2|1,0,1]=4 3579 B11R0.111 COC(=O)NCCOC[C@@H](C)O 34a_100000757965_100009817552 [0,0,0,0,0,2|1,0,1]=4 3580 B11R0.111 COC(=O)NCCOC[N+](=O)[O-] 34a_100000757965_100000761209 [0,0,0,0,0,2|1,0,1]=4 3581 B11R0.111 COC(=O)OCCOCC(=O)N 34a_100010262106_100000187820 [0,0,0,0,0,2|1,0,0]=3 3582 B11R0.111 COC(=O)OCCOCC(=O)[O-] 34a_100010262106_100020667443 [0,0,0,0,0,2|0,0,1]=3 3583 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,0,0,0,0,2|1,0,1]=4 3584 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,0,0,0,0,2|1,0,1]=4 3585 B11R0.111 COC(=O)OCCOC[N+](=O)[O-] 34a_100010262106_100000761209 [0,0,0,0,0,2|1,0,1]=4 3586 B11R0.111 COC(=O)OCSCCC(=O)C 62a_100000053229_100000139417 [0,0,0,0,0,2|1,0,0]=3 3587 B11R0.111 COC(=O)OCSCCC(=O)N 62a_100000744528_100000139417 [0,0,0,0,0,2|1,0,0]=3 3588 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,0,0,0,0,2|1,0,1]=4 3589 B11R0.111 COC(=O)OCSCOC(=O)C 62a_100000076356_100000139417 [0,0,0,0,0,2|2,0,0]=4 3590 B11R0.111 COC(C)NCCOCC(=O)O 269956a_100000700818_100009879195 [0,0,0,0,0,2|1,0,1]=4