0 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.47 C#CCCCC(=O)C(O)O 1458a_100000233687_100000731252 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.47 C#CCCNC(=O)C(C)C 11a_100000755551_100000210198 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.47 C#CCCNC(=O)C(C)C 1626a_100000755551_100000210198 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.47 C#CCCNC(=O)C(C)C 240690a_100000755551_100000210198 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.47 C#CCCNC(=O)C(C)C 527a_100000755551_100000210198 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.47 C#CCCNC(=O)C(C)F 11a_100000755551_100000062450 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.47 C#CCCNC(=O)C(C)F 1626a_100000755551_100000062450 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.47 C#CCCNC(=O)C(C)F 240690a_100000755551_100000062450 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.47 C#CCCNC(=O)C(C)F 527a_100000755551_100000062450 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.47 C#CCCNC(=O)C(O)O 240690a_100000755551_100000233687 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.47 C#CCCNC(=O)[C@@H](C)O 240690a_100000755551_100000717761 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.47 C#CCCNC(=O)[C@H](C)O 1626a_100000755551_217856618621 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.47 C#CCCNC(=O)[C@H](C)O 240690a_100000755551_217856618621 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,0,0,0,0,0|2,0,1]=3 38 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,0,0,0,0,0|2,0,1]=3 39 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,0,0,0,0,0|2,0,1]=3 40 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,0,0,0,0,0|2,0,1]=3 41 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,0,0,0,0,0|2,0,1]=3 42 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,0,0,0,0,0|2,0,1]=3 43 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,0,0,0,0,0|2,0,1]=3 44 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,0,0,0,0,0|1,0,2]=3 53 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,0,0,0,0,0|1,0,2]=3 54 B9R0.47 C=CCCNC(=O)C(C)C 11a_100015191253_100000210198 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.47 C=CCCNC(=O)C(C)C 1626a_100015191253_100000210198 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.47 C=CCCNC(=O)C(C)C 240690a_100015191253_100000210198 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.47 C=CCCNC(=O)C(C)C 527a_100015191253_100000210198 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.47 C=CCCNC(=O)C(C)F 11a_100015191253_100000062450 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.47 C=CCCNC(=O)C(C)F 1626a_100015191253_100000062450 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.47 C=CCCNC(=O)C(C)F 240690a_100015191253_100000062450 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.47 C=CCCNC(=O)C(C)F 527a_100015191253_100000062450 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.47 C=CCCNC(=O)C(O)O 240690a_100015191253_100000233687 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.47 C=CCCNC(=O)[C@@H](C)O 240690a_100015191253_100000717761 [0,0,0,0,0,0|1,0,2]=3 64 B9R0.47 C=CCCNC(=O)[C@H](C)O 1626a_100015191253_217856618621 [0,0,0,0,0,0|1,0,2]=3 65 B9R0.47 C=CCCNC(=O)[C@H](C)O 240690a_100015191253_217856618621 [0,0,0,0,0,0|1,0,2]=3 66 B9R0.47 C=CCNNC(=O)[C@@H](C)O 22a_100020588587_100000717761 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.47 C=CCNNC(=O)[C@H](C)O 22a_100020588587_217856618621 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.47 C=COCCC(=O)[C@@H](C)O 1458a_100000717761_100000039644 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.47 C=COCCC(=O)[C@H](C)O 1458a_217856618621_100000039644 [0,0,0,0,0,0|2,0,2]=4 70 B9R0.47 CC#CCNC(=O)C(C)C 11a_100000685387_100000210198 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.47 CC#CCNC(=O)C(C)C 1626a_100000685387_100000210198 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.47 CC#CCNC(=O)C(C)C 527a_100000685387_100000210198 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.47 CC#CCNC(=O)C(C)F 11a_100000685387_100000062450 [0,0,0,0,0,0|2,0,2]=4 74 B9R0.47 CC#CCNC(=O)C(C)F 1626a_100000685387_100000062450 [0,0,0,0,0,0|2,0,2]=4 75 B9R0.47 CC#CCNC(=O)C(C)F 527a_100000685387_100000062450 [0,0,0,0,0,0|2,0,2]=4 76 B9R0.47 CC#CCNC(=O)[C@H](C)O 1626a_100000685387_217856618621 [0,0,0,0,0,0|1,0,2]=3 77 B9R0.47 CC(=NNCCO)C(C)O 4a_100000210001_100000212229 [0,0,0,0,0,0|4,0,0]=4 78 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,0,0,0,0,0|3,0,0]=3 81 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,0,0,0,0,0|3,0,0]=3 82 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,0,0,0,0,0|3,0,0]=3 83 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,0,0,0,0,0|4,0,0]=4 84 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,0,0,0,0,0|4,0,0]=4 85 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,0,0,0,0,0|4,0,0]=4 86 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,0,0,0,0,0|4,0,0]=4 87 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,0,0,0,0,0|4,0,0]=4 88 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,0,0,0,0,0|4,0,0]=4 89 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,0,0,0,0,0|4,0,0]=4 90 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,0,0,0,0,0|4,0,0]=4 92 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,0,0,0,0,0|4,0,0]=4 93 B9R0.47 CC(C)C(=O)NCCC#N 11a_100000720768_100000210198 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.47 CC(C)C(=O)NCCC#N 1626a_100000720768_100000210198 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.47 CC(C)C(=O)NCCC#N 240690a_100000720768_100000210198 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.47 CC(C)C(=O)NCCC#N 527a_100000720768_100000210198 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,0,0,0,0,0|3,0,0]=3 98 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,0,0,0,0,0|3,0,0]=3 99 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,0,0,0,0,0|3,0,0]=3 100 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,0,0,0,0,0|3,0,0]=3 101 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,0,0,0,0,0|3,0,0]=3 103 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,0,0,0,0,0|3,0,0]=3 105 B9R0.47 CC(C)C(=O)NNCCO 22a_100000210001_100000210198 [0,0,0,0,0,0|4,0,0]=4 106 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,0,0,0,0,0|3,0,0]=3 107 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,0,0,0,0,0|3,0,0]=3 108 B9R0.47 CC(C)C(C)OCCCF 7a_100000748068_100011934791 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.47 CC(C)C(C)OCCCO 7a_100000748068_100011215043 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,0,0,0,0,0|3,0,0]=3 113 B9R0.47 CC(F)C(=O)NCCC#N 11a_100000720768_100000062450 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.47 CC(F)C(=O)NCCC#N 1626a_100000720768_100000062450 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.47 CC(F)C(=O)NCCC#N 240690a_100000720768_100000062450 [0,0,0,0,0,0|3,0,1]=4 116 B9R0.47 CC(F)C(=O)NCCC#N 527a_100000720768_100000062450 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,0,0,0,0,0|3,0,0]=3 118 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,0,0,0,0,0|3,0,0]=3 119 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,0,0,0,0,0|3,0,0]=3 120 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,0,0,0,0,0|3,0,0]=3 121 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,0,0,0,0,0|3,0,0]=3 122 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,0,0,0,0,0|3,0,0]=3 123 B9R0.47 CC(F)C(=O)NNCCO 22a_100000210001_100000062450 [0,0,0,0,0,0|4,0,0]=4 124 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,0,0,0,0,0|2,0,2]=4 126 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,0,0,0,0,0|2,0,2]=4 128 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,0,0,0,0,0|1,0,2]=3 129 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,0,0,0,0,0|1,0,2]=3 130 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,0,0,0,0,0|2,0,2]=4 131 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,0,0,0,0,0|2,0,2]=4 132 B9R0.47 CCC#CCC(=O)C(O)O 1458a_100000233687_100009813939 [0,0,0,0,0,0|2,0,2]=4 133 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,0,0,0,0,0|1,0,2]=3 134 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,0,0,0,0,0|1,0,2]=3 135 B9R0.47 CCC=NNC(=O)C(C)C 4a_100000184118_100000210100 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,0,0,0,0,0|2,0,1]=3 137 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,0,0,0,0,0|2,0,1]=3 139 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,0,0,0,0,0|3,0,1]=4 140 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,0,0,0,0,0|3,0,1]=4 141 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,0,0,0,0,0|2,0,0]=2 143 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,0,0,0,0,0|2,0,0]=2 144 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,0,0,0,0,0|2,0,0]=2 145 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,0,0,0,0,0|2,0,0]=2 146 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,0,0,0,0,0|3,0,0]=3 147 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,0,0,0,0,0|3,0,0]=3 148 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,0,0,0,0,0|3,0,0]=3 149 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,0,0,0,0,0|3,0,0]=3 150 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,0,0,0,0,0|1,0,0]=1 151 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,0,0,0,0,0|1,0,0]=1 152 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,0,0,0,0,0|4,0,0]=4 153 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,0,0,0,0,0|4,0,0]=4 154 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,0,0,0,0,0|4,0,0]=4 155 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,0,0,0,0,0|4,0,0]=4 156 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,0,0,0,0,0|4,0,0]=4 157 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,0,0,0,0,0|4,0,0]=4 159 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,0,0,0,0,0|2,0,2]=4 160 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,0,0,0,0,0|2,0,0]=2 161 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,0,0,0,0,0|2,0,0]=2 162 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,0,0,0,0,0|2,0,0]=2 163 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,0,0,0,0,0|2,0,0]=2 164 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,0,0,0,0,0|2,0,0]=2 165 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,0,0,0,0,0|2,0,0]=2 166 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,0,0,0,0,0|2,0,0]=2 167 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,0,0,0,0,0|2,0,0]=2 168 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,0,0,0,0,0|3,0,0]=3 169 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,0,0,0,0,0|3,0,0]=3 170 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,0,0,0,0,0|3,0,0]=3 171 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,0,0,0,0,0|3,0,0]=3 172 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,0,0,0,0,0|2,0,0]=2 173 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,0,0,0,0,0|3,0,0]=3 174 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,0,0,0,0,0|1,0,0]=1 175 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,0,0,0,0,0|1,0,0]=1 176 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,0,0,0,0,0|1,0,0]=1 177 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,0,0,0,0,0|1,0,3]=4 179 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,0,0,0,0,0|1,0,3]=4 180 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,0,0,0,0,0|2,0,1]=3 181 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,0,0,0,0,0|4,0,0]=4 182 B9R0.47 CCCNN=C(C)C(C)C 4a_100000740057_100000211110 [0,0,0,0,0,0|4,0,0]=4 183 B9R0.47 CCCNN=C(C)C(C)O 4a_100000740057_100000212229 [0,0,0,0,0,0|3,0,0]=3 184 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,0,0,0,0,0|3,0,0]=3 185 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,0,0,0,0,0|3,0,0]=3 186 B9R0.47 CCCNNC(=O)C(F)F 22a_100000740057_100000210393 [0,0,0,0,0,0|4,0,0]=4 187 B9R0.47 CCCNNC(=O)C(O)O 22a_100000740057_100000233687 [0,0,0,0,0,0|3,0,0]=3 188 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,0,0,0,0,0|2,0,0]=2 189 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,0,0,0,0,0|2,0,0]=2 190 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,0,0,0,0,0|2,0,2]=4 191 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,0,0,0,0,0|3,0,0]=3 192 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,0,0,0,0,0|3,0,0]=3 193 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,0,0,0,0,0|4,0,0]=4 194 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,0,0,0,0,0|4,0,0]=4 195 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,0,0,0,0,0|4,0,0]=4 196 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,0,0,0,0,0|4,0,0]=4 197 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,0,0,0,0,0|4,0,0]=4 198 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,0,0,0,0,0|2,0,2]=4 199 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,0,0,0,0,0|2,0,2]=4 200 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,0,0,0,0,0|3,0,0]=3 201 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,0,0,0,0,0|3,0,0]=3 202 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,0,0,0,0,0|3,0,0]=3 203 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,0,0,0,0,0|4,0,0]=4 204 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,0,0,0,0,0|4,0,0]=4 205 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,0,0,0,0,0|4,0,0]=4 206 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,0,0,0,0,0|4,0,0]=4 207 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,0,0,0,0,0|4,0,0]=4 208 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,0,0,0,0,0|4,0,0]=4 209 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,0,0,0,0,0|4,0,0]=4 210 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,0,0,0,0,0|4,0,0]=4 211 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,0,0,0,0,0|3,0,1]=4 212 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,0,0,0,0,0|3,0,0]=3 213 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,0,0,0,0,0|3,0,0]=3 214 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,0,0,0,0,0|3,0,0]=3 215 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,0,0,0,0,0|3,0,0]=3 216 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,0,0,0,0,0|4,0,0]=4 217 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,0,0,0,0,0|4,0,0]=4 218 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,0,0,0,0,0|4,0,0]=4 219 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,0,0,0,0,0|4,0,0]=4 220 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,0,0,0,0,0|4,0,0]=4 221 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,0,0,0,0,0|2,0,0]=2 222 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,0,0,0,0,0|2,0,0]=2 223 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,0,0,0,0,0|3,0,0]=3 224 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,0,0,0,0,0|3,0,0]=3 225 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,0,0,0,0,0|3,0,0]=3 226 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,0,0,0,0,0|3,0,0]=3 227 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,0,0,0,0,0|4,0,0]=4 228 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,0,0,0,0,0|4,0,0]=4 229 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,0,0,0,0,0|4,0,0]=4 230 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,0,0,0,0,0|4,0,0]=4 231 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,0,0,0,0,0|4,0,0]=4 232 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,0,0,0,0,0|4,0,0]=4 233 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,0,0,0,0,0|2,0,0]=2 234 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,0,0,0,0,0|2,0,0]=2 235 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,0,0,0,0,0|2,0,0]=2 236 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,0,0,0,0,0|2,0,0]=2 237 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,0,0,0,0,0|4,0,0]=4 238 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,0,0,0,0,0|4,0,0]=4 239 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,0,0,0,0,0|4,0,0]=4 240 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,0,0,0,0,0|4,0,0]=4 241 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,0,0,0,0,0|4,0,0]=4 242 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,0,0,0,0,0|4,0,0]=4 243 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,0,0,0,0,0|4,0,0]=4 244 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,0,0,0,0,0|4,0,0]=4 245 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,0,0,0,0,0|3,0,0]=3 246 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,0,0,0,0,0|3,0,0]=3 247 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,0,0,0,0,0|3,0,1]=4 248 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,0,0,0,0,0|3,0,0]=3 249 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,0,0,0,0,0|3,0,0]=3 250 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,0,0,0,0,0|3,0,0]=3 251 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,0,0,0,0,0|3,0,0]=3 252 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,0,0,0,0,0|4,0,0]=4 253 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,0,0,0,0,0|4,0,0]=4 254 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,0,0,0,0,0|4,0,0]=4 255 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,0,0,0,0,0|4,0,0]=4 256 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,0,0,0,0,0|2,0,0]=2 257 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,0,0,0,0,0|2,0,0]=2 258 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,0,0,0,0,0|3,0,0]=3 259 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,0,0,0,0,0|3,0,0]=3 260 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,0,0,0,0,0|3,0,0]=3 261 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,0,0,0,0,0|3,0,0]=3 262 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,0,0,0,0,0|3,0,0]=3 263 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,0,0,0,0,0|3,0,0]=3 264 B9R0.47 COCCNC(=O)C(F)F 1626a_100000209980_100000210393 [0,0,0,0,0,0|4,0,0]=4 265 B9R0.47 COCCNC(=O)C(F)F 240690a_100000209980_100000210393 [0,0,0,0,0,0|4,0,0]=4 266 B9R0.47 COCCNC(=O)C(F)F 527a_100000209980_100000210393 [0,0,0,0,0,0|4,0,0]=4 267 B9R0.47 COCCNC(=O)C(O)O 240690a_100000209980_100000233687 [0,0,0,0,0,0|3,0,0]=3 268 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,0,0,0,0,0|2,0,0]=2 269 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,0,0,0,0,0|2,0,0]=2 270 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,0,0,0,0,0|2,0,0]=2 271 B9R0.47 COCCOC(C)C(C)C 7a_100000748068_100000233755 [0,0,0,0,0,0|3,0,1]=4 272 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,0,0,0,0,0|4,0,0]=4 273 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,0,0,0,0,0|4,0,0]=4 274 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,0,0,0,0,0|3,0,0]=3 275 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,0,0,0,0,0|4,0,0]=4 276 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,0,0,0,0,0|4,0,0]=4 277 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,0,0,0,0,0|4,0,0]=4 278 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,0,0,0,0,0|4,0,0]=4 279 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,0,0,0,0,0|4,0,0]=4 280 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,0,0,0,0,0|4,0,0]=4 281 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,0,0,0,0,0|3,0,0]=3 282 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,0,0,0,0,0|3,0,0]=3 283 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,0,0,0,0,0|3,0,0]=3 284 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,0,0,0,0,0|3,0,0]=3 285 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,0,0,0,0,0|3,0,0]=3 286 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,0,0,0,0,0|3,0,0]=3 287 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,0,0,0,0,0|3,0,0]=3 288 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,0,0,0,0,0|3,0,0]=3 289 B9R0.47 CSCCNC(=O)C(F)F 11a_100020590264_100000210393 [0,0,0,0,0,0|4,0,0]=4 290 B9R0.47 CSCCNC(=O)C(F)F 1626a_100020590264_100000210393 [0,0,0,0,0,0|4,0,0]=4 291 B9R0.47 CSCCNC(=O)C(F)F 240690a_100020590264_100000210393 [0,0,0,0,0,0|4,0,0]=4 292 B9R0.47 CSCCNC(=O)C(F)F 527a_100020590264_100000210393 [0,0,0,0,0,0|4,0,0]=4 293 B9R0.47 CSCCNC(=O)C(O)O 240690a_100020590264_100000233687 [0,0,0,0,0,0|3,0,0]=3 294 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,0,0,0,0,0|4,0,0]=4 295 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,0,0,0,0,0|2,0,0]=2 296 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,0,0,0,0,0|2,0,0]=2 297 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,0,0,0,0,0|2,0,0]=2 298 B9R0.47 CSCCOC(C)C(C)C 7a_100000748068_100000212216 [0,0,0,0,0,0|3,0,1]=4 299 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,0,0,0,0,0|4,0,0]=4 300 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,0,0,0,0,0|4,0,0]=4 301 B9R0.47 C[C@@H](O)C(=O)CC#CCO 1458a_100000717761_200000047223 [0,0,0,0,0,0|2,0,2]=4 302 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,0,0,0,0,0|2,0,1]=3 303 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,0,0,0,0,0|2,0,0]=2 304 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,0,0,0,0,0|2,0,0]=2 305 B9R0.47 C[C@@H](O)C(=O)NCCC#N 240690a_100000720768_100000717761 [0,0,0,0,0,0|2,0,1]=3 306 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,0,0,0,0,0|2,0,0]=2 307 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,0,0,0,0,0|2,0,0]=2 308 B9R0.47 C[C@@H](O)C(=O)NNCCO 22a_100000210001_100000717761 [0,0,0,0,0,0|3,0,0]=3 309 B9R0.47 C[C@H](O)C(=O)CC#CCO 1458a_217856618621_200000047223 [0,0,0,0,0,0|2,0,2]=4 310 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,0,0,0,0,0|2,0,1]=3 311 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,0,0,0,0,0|2,0,0]=2 312 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,0,0,0,0,0|2,0,0]=2 313 B9R0.47 C[C@H](O)C(=O)NCCC#N 1626a_100000720768_217856618621 [0,0,0,0,0,0|2,0,1]=3 314 B9R0.47 C[C@H](O)C(=O)NCCC#N 240690a_100000720768_217856618621 [0,0,0,0,0,0|2,0,1]=3 315 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,0,0,0,0,0|2,0,0]=2 316 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,0,0,0,0,0|2,0,0]=2 317 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,0,0,0,0,0|2,0,0]=2 318 B9R0.47 C[C@H](O)C(=O)NNCCO 22a_100000210001_217856618621 [0,0,0,0,0,0|3,0,0]=3 319 B9R0.47 N#CCCCC(=O)C(O)O 1458a_100000233687_100000211468 [0,0,0,0,0,0|3,0,1]=4 320 B9R0.47 N#CCCNC(=O)C(O)O 240690a_100000720768_100000233687 [0,0,0,0,0,0|3,0,1]=4 321 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,0,0,0,0,0|3,0,0]=3 322 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,0,0,0,0,0|3,0,0]=3 323 B9R0.47 O=C(NCCCF)C(F)F 11a_100015189416_100000210393 [0,0,0,0,0,0|4,0,0]=4 324 B9R0.47 O=C(NCCCF)C(F)F 1626a_100015189416_100000210393 [0,0,0,0,0,0|4,0,0]=4 325 B9R0.47 O=C(NCCCF)C(F)F 240690a_100015189416_100000210393 [0,0,0,0,0,0|4,0,0]=4 326 B9R0.47 O=C(NCCCF)C(F)F 527a_100015189416_100000210393 [0,0,0,0,0,0|4,0,0]=4 327 B9R0.47 O=C(NCCCF)C(O)O 240690a_100015189416_100000233687 [0,0,0,0,0,0|3,0,0]=3 328 B9R0.47 O=C(NCCCO)C(F)F 240690a_100000182051_100000210393 [0,0,0,0,0,0|4,0,0]=4 329 B9R0.47 O=C(NCCCO)C(F)F 527a_100000182051_100000210393 [0,0,0,0,0,0|4,0,0]=4 330 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,0,0,0,0,0|3,0,0]=3 331 B9R0.47 O=C(NNCCO)C(O)O 22a_100000210001_100000233687 [0,0,0,0,0,0|4,0,0]=4 332 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,0,0,0,0,0|1,0,2]=4 333 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,0,0,0,0,0|1,0,2]=4 334 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,0,0,0,0,0|1,0,2]=4 335 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [1,0,0,0,0,0|1,0,2]=4 336 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 337 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 338 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 339 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 340 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [1,0,0,0,0,0|1,0,2]=4 341 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [1,0,0,0,0,0|1,0,2]=4 342 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,0,0,0,0,0|1,0,2]=4 343 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,0,0,0,0,0|1,0,2]=4 344 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,0,0,0,0,0|1,0,2]=4 345 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [1,0,0,0,0,0|1,0,2]=4 346 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [1,0,0,0,0,0|1,0,2]=4 347 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [1,0,0,0,0,0|1,0,2]=4 348 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [1,0,0,0,0,0|1,0,2]=4 349 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [1,0,0,0,0,0|1,0,2]=4 350 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [1,0,0,0,0,0|1,0,2]=4 351 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [1,0,0,0,0,0|1,0,2]=4 352 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [1,0,0,0,0,0|1,0,2]=4 353 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,0,0,0,0,0|1,0,2]=4 354 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,0,0,0,0,0|1,0,2]=4 355 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,0,0,0,0,0|1,0,2]=4 356 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 357 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 358 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 359 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 360 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [1,0,0,0,0,0|1,0,2]=4 361 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [1,0,0,0,0,0|1,0,2]=4 362 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 363 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 364 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 365 B8R0.6 CC#CCNC(=O)CO 527a_100000685387_100000210174 [1,0,0,0,0,0|1,0,2]=4 366 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [1,0,0,0,0,0|2,0,1]=4 367 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [1,0,0,0,0,0|2,0,1]=4 368 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [1,0,0,0,0,0|2,0,1]=4 369 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,0,0,0,0,0|2,0,1]=4 370 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,0,0,0,0,0|1,0,2]=4 371 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,0,0,0,0,0|1,0,2]=4 372 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,0,0,0,0,0|1,0,2]=4 373 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,0,0,0,0,0|1,0,2]=4 374 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [1,0,0,0,0,0|1,0,2]=4 375 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,0,0,0,0,0|2,0,0]=3 379 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,0,0,0,0,0|2,0,0]=3 380 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,0,0,0,0,0|2,0,0]=3 381 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,0,0,0,0,0|2,0,0]=3 382 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,0,0,0,0,0|2,0,0]=3 383 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,0,0,0,0,0|2,0,0]=3 384 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,0,0,0,0,0|3,0,0]=4 385 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,0,0,0,0,0|3,0,0]=4 386 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,0,0,0,0,0|3,0,0]=4 387 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,0,0,0,0,0|3,0,0]=4 388 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,0,0,0,0,0|3,0,0]=4 389 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,0,0,0,0,0|3,0,0]=4 390 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,0,0,0,0,0|3,0,0]=4 391 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,0,0,0,0,0|3,0,0]=4 392 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,0,0,0,0,0|3,0,0]=4 393 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,0,0,0,0,0|3,0,0]=4 394 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,0,0,0,0,0|3,0,0]=4 395 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,0,0,0,0,0|3,0,0]=4 396 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 397 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 398 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 399 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 400 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 401 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 402 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 403 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 404 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,0,0,0,0,0|2,0,0]=3 405 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,0,0,0,0,0|2,0,0]=3 406 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,0,0,0,0,0|2,0,0]=3 407 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,0,0,0,0,0|2,0,0]=3 408 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 409 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 410 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,0,0,0,0,0|2,0,0]=3 411 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 412 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,0,0,0,0,0|2,0,0]=3 413 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,0,0,0,0,0|2,0,0]=3 414 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,0,0,0,0,0|2,0,0]=3 415 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 416 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 417 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 418 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 419 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [1,0,0,0,0,0|3,0,0]=4 420 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,0,0,0,0,0|1,0,0]=2 421 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,0,0,0,0,0|1,0,0]=2 422 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [1,0,0,0,0,0|2,0,1]=4 423 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [1,0,0,0,0,0|2,0,1]=4 424 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,0,0,0,0,0|2,0,1]=4 428 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [1,0,0,0,0,0|2,0,1]=4 429 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [1,0,0,0,0,0|2,0,1]=4 430 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [1,0,0,0,0,0|2,0,1]=4 431 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [1,0,0,0,0,0|2,0,1]=4 432 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [1,0,0,0,0,0|2,0,1]=4 433 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [1,0,0,0,0,0|2,0,1]=4 434 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,0,0,0,0,0|1,0,1]=3 435 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [1,0,0,0,0,0|2,0,1]=4 436 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [1,0,0,0,0,0|2,0,1]=4 437 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,0,0,0,0,0|1,0,1]=3 438 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,0,0,0,0,0|2,0,1]=4 439 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,0,0,0,0,0|2,0,1]=4 440 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,0,0,0,0,0|2,0,1]=4 441 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,0,0,0,0,0|2,0,1]=4 442 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,0,0,0,0|1,0,0]=2 443 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,0,0,0,0|1,0,0]=2 444 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,0,0,0,0,0|2,0,0]=3 445 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,0,0,0,0|1,0,0]=2 446 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,0,0,0,0,0|2,0,0]=3 447 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,0,0,0,0,0|2,0,0]=3 448 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,0,0,0,0,0|2,0,0]=3 449 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,0,0,0,0,0|2,0,0]=3 450 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,0,0,0,0,0|3,0,0]=4 451 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,0,0,0,0,0|3,0,0]=4 452 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,0,0,0,0,0|3,0,0]=4 453 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,0,0,0,0,0|3,0,0]=4 454 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 455 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 456 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 457 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 458 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,0,0,0,0,0|1,0,0]=2 459 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,0,0,0,0,0|1,0,0]=2 460 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,0,0,0,0,0|2,0,0]=3 461 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,0,0,0,0,0|2,0,0]=3 462 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,0,0,0,0,0|2,0,0]=3 463 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,0,0,0,0,0|2,0,0]=3 464 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,0,0,0,0,0|2,0,0]=3 465 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,0,0,0,0,0|2,0,0]=3 466 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,0,0,0,0,0|2,0,1]=4 468 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,0,0,0,0,0|2,0,1]=4 469 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,0,0,0,0,0|2,0,1]=4 470 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,0,0,0,0,0|2,0,1]=4 471 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,0,0,0,0,0|2,0,1]=4 472 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,0,0,0,0,0|1,0,1]=3 473 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,0,0,0,0,0|1,0,1]=3 474 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,0,0,0,0,0|1,0,1]=3 475 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,0,0,0,0,0|2,0,1]=4 476 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,0,0,0,0,0|2,0,1]=4 477 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,0,0,0,0,0|2,0,1]=4 478 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,0,0,0,0,0|1,0,1]=3 479 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,0,0,0,0,0|1,0,1]=3 480 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,0,0,0,0,0|1,1,1]=4 481 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,0,0,0,0,0|1,1,1]=4 482 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,0,0,0,0,0|1,1,1]=4 483 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,0,0,0,0,0|1,1,1]=4 484 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,0,0,0,0,0|1,1,1]=4 485 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,0,0,0,0,0|3,0,0]=4 486 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [1,0,0,0,0,0|3,0,0]=4 487 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,0,0,0,0,0|2,0,0]=3 488 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,0,0,0,0,0|2,0,0]=3 489 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [1,0,0,0,0,0|3,0,0]=4 490 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [1,0,0,0,0,0|3,0,0]=4 491 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [1,0,0,0,0,0|3,0,0]=4 492 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,0,0,0,0,0|2,0,0]=3 493 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,0,0,0,0,0|2,0,0]=3 494 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,0,0,0,0,0|3,0,0]=4 495 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,0,0,0,0,0|3,0,0]=4 496 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,0,0,0,0,0|3,0,0]=4 497 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,0,0,0,0,0|3,0,0]=4 498 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,0,0,0,0,0|3,0,0]=4 499 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,0,0,0,0,0|3,0,0]=4 500 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,0,0,0,0,0|3,0,0]=4 502 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,0,0,0,0,0|2,0,0]=3 503 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,0,0,0,0,0|2,0,0]=3 504 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,0,0,0,0,0|2,0,0]=3 505 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,0,0,0,0,0|3,0,0]=4 507 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,0,0,0,0,0|3,0,0]=4 508 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,0,0,0,0,0|3,0,0]=4 509 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,0,0,0,0,0|3,0,0]=4 510 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,0,0,0,0,0|3,0,0]=4 511 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,0,0,0,0,0|3,0,0]=4 512 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,0,0,0,0,0|3,0,0]=4 513 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,0,0,0,0,0|3,0,0]=4 514 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,0,0,0,0,0|3,0,0]=4 515 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,0,0,0,0,0|3,0,0]=4 516 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,0,0,0,0,0|3,0,0]=4 517 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,0,0,0,0,0|3,0,0]=4 518 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,0,0,0,0,0|2,0,1]=4 519 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,0,0,0,0,0|2,0,0]=3 520 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,0,0,0,0,0|2,0,0]=3 521 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,0,0,0,0,0|3,0,0]=4 522 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,0,0,0,0,0|2,0,0]=3 523 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,0,0,0,0,0|3,0,0]=4 524 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,0,0,0,0,0|3,0,0]=4 525 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,0,0,0,0,0|3,0,0]=4 526 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,0,0,0,0,0|3,0,0]=4 527 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,0,0,0,0,0|3,0,0]=4 528 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,0,0,0,0,0|3,0,0]=4 529 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,0,0,0,0,0|3,0,0]=4 530 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,0,0,0,0,0|2,0,0]=3 531 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,0,0,0,0,0|2,0,0]=3 532 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,0,0,0,0,0|3,0,0]=4 533 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,0,0,0,0,0|2,0,0]=3 534 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,0,0,0,0,0|3,0,0]=4 535 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,0,0,0,0,0|3,0,0]=4 536 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,0,0,0,0,0|3,0,0]=4 537 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,0,0,0,0,0|3,0,0]=4 538 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,0,0,0,0,0|3,0,0]=4 539 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,0,0,0,0,0|3,0,0]=4 540 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,0,0,0,0,0|3,0,0]=4 541 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,0,0,0,0,0|3,0,0]=4 542 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,0,0,0,0,0|2,0,0]=3 543 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,0,0,0,0,0|3,0,0]=4 544 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,0,0,0,0,0|3,0,0]=4 545 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,0,0,0,0,0|3,0,0]=4 546 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,0,0,0,0,0|3,0,0]=4 547 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,0,0,0,0,0|3,0,0]=4 548 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,0,0,0,0,0|3,0,0]=4 549 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,0,0,0,0,0|3,0,0]=4 550 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,0,0,0,0,0|3,0,0]=4 551 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,0,0,0,0,0|3,0,0]=4 552 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,0,0,0,0,0|3,0,0]=4 553 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,0,0,0,0,0|3,0,0]=4 554 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,0,0,0,0,0|3,0,0]=4 555 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,0,0,0,0,0|3,0,0]=4 556 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,0,0,0,0,0|3,0,0]=4 557 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,0,0,0,0,0|3,0,0]=4 558 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,0,0,0,0,0|3,0,0]=4 559 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [1,0,0,0,0,0|3,0,0]=4 560 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [1,0,0,0,0,0|3,0,0]=4 561 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [1,0,0,0,0,0|3,0,0]=4 562 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [1,0,0,0,0,0|3,0,0]=4 563 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [1,0,0,0,0,0|3,0,0]=4 564 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [1,0,0,0,0,0|3,0,0]=4 565 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,0,0,0,0,0|3,0,0]=4 566 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,0,0,0,0,0|3,0,0]=4 567 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,0,0,0,0,0|3,0,0]=4 568 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,0,0,0,0,0|3,0,0]=4 569 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,0,0,0,0,0|3,0,0]=4 570 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,0,0,0,0,0|3,0,0]=4 571 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,0,0,0,0,0|3,0,0]=4 572 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,0,0,0,0,0|3,0,0]=4 573 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,0,0,0,0,0|3,0,0]=4 574 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,0,0,0,0,0|3,0,0]=4 575 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,0,0,0,0,0|3,0,0]=4 576 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,0,0,0,0,0|3,0,0]=4 577 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,0,0,0,0,0|3,0,0]=4 578 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,0,0,0,0,0|3,0,0]=4 579 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,0,0,0,0,0|2,0,0]=3 580 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,0,0,0,0,0|2,0,0]=3 581 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,0,0,0,0,0|2,0,0]=3 582 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,0,0,0,0,0|2,0,0]=3 583 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,0,0,0,0,0|2,0,0]=3 584 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,0,0,0,0,0|3,0,0]=4 585 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,0,0,0,0,0|3,0,0]=4 586 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,0,0,0,0,0|3,0,0]=4 587 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,0,0,0,0,0|3,0,0]=4 588 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,0,0,0,0,0|3,0,0]=4 589 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,0,0,0,0,0|3,0,0]=4 590 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,0,0,0,0,0|3,0,0]=4 591 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,0,0,0,0,0|3,0,0]=4 592 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,0,0,0,0,0|3,0,0]=4 593 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,0,0,0,0,0|2,0,0]=3 594 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,0,0,0,0,0|2,0,0]=3 595 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,0,0,0,0,0|3,0,0]=4 596 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,0,0,0,0,0|3,0,0]=4 597 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,0,0,0,0,0|3,0,0]=4 598 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,0,0,0,0,0|3,0,0]=4 599 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,0,0,0,0,0|3,0,0]=4 600 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,0,0,0,0,0|2,0,0]=3 601 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [1,0,0,0,0,0|3,0,0]=4 602 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,0,0,0,0,0|3,0,0]=4 603 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,0,0,0,0,0|2,0,0]=3 604 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,0,0,0,0,0|3,0,0]=4 605 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,0,0,0,0,0|2,0,0]=3 606 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,0,0,0,0,0|2,0,0]=3 607 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,0,0,0,0,0|3,0,0]=4 608 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,0,0,0,0,0|2,0,0]=3 609 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [1,0,0,0,0,0|2,0,1]=4 610 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,0,0,0,0,0|3,0,0]=4 611 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,0,0,0,0,0|2,0,0]=3 612 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,0,0,0,0,0|2,0,0]=3 613 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [1,0,0,0,0,0|2,0,1]=4 614 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [1,0,0,0,0,0|2,0,1]=4 615 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [1,0,0,0,0,0|2,0,1]=4 616 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [1,0,0,0,0,0|2,0,1]=4 617 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [1,0,0,0,0,0|2,0,1]=4 618 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,0,0,0,0,0|3,0,0]=4 619 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,0,0,0,0,0|2,0,0]=3 620 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,0,0,0,0|2,0,0]=3 621 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,0,0,0,0,0|2,0,0]=3 622 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,0,0,0,0,0|2,0,0]=3 623 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,0,0,0,0,0|2,0,0]=3 624 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,0,0,0,0,0|2,0,0]=3 625 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [1,0,0,0,0,0|3,0,0]=4 626 B8R0.7 C#CCCOCC(C)O 34a_100011215631_100011218427 [1,0,0,0,0,0|0,0,3]=4 627 B8R0.7 C#CCCOC[C@@H](C)O 34a_100011215631_100009817552 [1,0,0,0,0,0|0,0,3]=4 628 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,0,0,0,0,0|0,0,3]=4 629 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,0,0,0,0,0|0,0,3]=4 630 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,0,0,0,0,0|1,0,2]=4 631 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,0,0,0,0,0|1,0,2]=4 632 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,0,0,0,0,0|1,0,2]=4 633 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,0,0,0,0,0|0,0,3]=4 634 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,0,0,0,0,0|0,0,3]=4 635 B8R0.7 CC#CCOCC(C)O 34a_100000761923_100011218427 [1,0,0,0,0,0|0,0,3]=4 636 B8R0.7 CC#CCOC[C@@H](C)O 34a_100000761923_100009817552 [1,0,0,0,0,0|0,0,3]=4 637 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [1,0,0,0,0,0|2,0,1]=4 638 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,0,0,0,0,0|2,0,1]=4 639 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,0,0,0,0,0|2,0,1]=4 640 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,0,0,0,0,0|2,0,1]=4 641 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,0,0,0,0,0|2,0,1]=4 642 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,0,0,0,0,0|2,0,1]=4 643 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,0,0,0,0,0|2,0,1]=4 644 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,0,0,0,0,0|2,0,1]=4 645 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,0,0,0,0,0|2,0,1]=4 646 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,0,0,0,0,0|2,0,1]=4 647 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [1,0,0,0,0,0|2,0,1]=4 648 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,0,0,0,0,0|2,0,1]=4 649 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [1,0,0,0,0,0|2,0,1]=4 650 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [1,0,0,0,0,0|2,0,1]=4 651 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [1,0,0,0,0,0|2,0,1]=4 652 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [1,0,0,0,0,0|2,0,1]=4 653 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,0,0,0,0,0|2,0,1]=4 654 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,0,0,0,0,0|2,0,1]=4 655 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,0,0,0,0,0|1,0,1]=3 656 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,0,0,0,0,0|1,0,1]=3 657 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,0,0,0,0,0|1,0,1]=3 658 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,0,0,0,0,0|1,0,1]=3 659 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [1,0,0,0,0,0|2,0,1]=4 660 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [1,0,0,0,0,0|1,1,1]=4 661 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [1,0,0,0,0,0|1,1,1]=4 662 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,0,0,0,0,0|1,1,1]=4 663 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,0,0,0,0,0|1,1,1]=4 664 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|1,0,2]=4 665 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|1,0,2]=4 666 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,0,0,0,0,0|3,0,0]=4 667 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,0,0,0,0,0|3,0,0]=4 668 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,0,0,0,0,0|3,0,0]=4 669 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,0,0,0,0|3,0,0]=4 670 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,0,0,0,0|3,0,0]=4 671 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,0,0,0,0|3,0,0]=4 672 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,0,0,0,0,0|3,0,0]=4 673 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,0,0,0,0,0|3,0,0]=4 674 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,0,0,0,0,0|2,0,1]=4 675 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,0,0,0,0,0|2,0,1]=4 676 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,0,0,0,0,0|2,0,1]=4 677 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,0,0,0,0,0|2,0,1]=4 678 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,0,0,0,0,0|2,0,1]=4 679 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,0,0,0,0,0|1,0,1]=3 680 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,0,0,0,0,0|1,0,1]=3 681 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,0,0,0,0,0|1,0,1]=3 682 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,0,0,0,0,0|1,0,1]=3 683 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,0,0,0,0,0|1,0,1]=3 684 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,0,0,0,0,0|1,0,1]=3 685 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|0,0,3]=4 686 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|0,0,3]=4 687 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|0,0,3]=4 688 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|0,0,3]=4 689 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,0,0,0,0,0|1,0,1]=3 690 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,0,0,0,0,0|1,0,1]=3 691 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,0,0,0,0,0|1,0,1]=3 692 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,0,0,0,0,0|1,0,1]=3 693 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,0,0,0,0,0|1,0,1]=3 694 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,0,0,0,0,0|0,0,1]=2 695 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,0,0,0,0,0|0,0,1]=2 696 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [1,0,0,0,0,0|2,0,1]=4 697 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [1,0,0,0,0,0|2,0,1]=4 698 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [1,0,0,0,0,0|2,0,1]=4 699 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,0,0,0,0,0|2,0,1]=4 700 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,0,0,0,0,0|2,0,1]=4 701 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,0,0,0,0,0|1,0,1]=3 702 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,0,0,0,0,0|1,0,1]=3 703 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,0,0,0,0,0|0,0,1]=2 704 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,0,0,0,0,0|0,0,1]=2 705 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,0,0,0,0,0|1,1,1]=4 706 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,0,0,0,0,0|1,1,1]=4 707 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,0,0,0,0,0|0,1,1]=3 708 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,0,0,0,0,0|0,1,1]=3 709 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,0,0,0,0,0|0,1,1]=3 710 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,0,0,0,0,0|0,1,1]=3 711 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,0,0,0,0,0|2,0,1]=4 712 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [1,0,0,0,0,0|3,0,0]=4 713 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,0,0,0,0,0|2,0,1]=4 714 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,0,0,0,0,0|2,0,1]=4 715 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,0,0,0,0,0|2,0,1]=4 716 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,0,0,0,0,0|2,0,1]=4 717 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,0,0,0,0,0|2,0,1]=4 718 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,0,0,0,0,0|1,1,1]=4 719 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,0,0,0,0,0|1,1,1]=4 720 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,0,0,0,0,0|1,1,1]=4 721 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,0,0,0,0,0|1,1,1]=4 722 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,0,0,0,0,0|2,0,1]=4 723 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 724 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,0,0,0,0,0|2,0,1]=4 725 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,0,0,0,0,0|2,0,1]=4 726 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,0,0,0,0,0|2,0,1]=4 727 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,0,0,0,0,0|2,0,1]=4 728 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [1,0,0,0,0,0|2,0,1]=4 729 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,0,0,0,0,0|2,0,1]=4 730 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,0,0,0,0,0|2,0,1]=4 731 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,0,0,0,0,0|2,0,1]=4 732 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,0,0,0,0,0|2,0,1]=4 733 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [1,0,0,0,0,0|2,0,1]=4 734 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,0,0,0,0,0|1,0,1]=3 735 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [1,0,0,0,0,0|2,0,1]=4 736 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [1,0,0,0,0,0|2,0,1]=4 737 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,0,0,0,0,0|1,0,1]=3 738 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,0,0,0,0,0|1,1,1]=4 739 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,0,0,0,0,0|1,1,1]=4 740 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,0,0,0,0,0|1,1,1]=4 741 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,0,0,0,0,0|1,1,1]=4 742 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,0,0,0,0,0|2,0,1]=4 743 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,0,0,0,0,0|2,0,1]=4 744 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,0,0,0,0,0|2,0,1]=4 745 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,0,0,0,0,0|2,0,1]=4 746 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [1,0,0,0,0,0|2,0,1]=4 747 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,0,0,0,0,0|2,0,1]=4 748 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,0,0,0,0,0|2,0,1]=4 749 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,0,0,0,0,0|2,0,1]=4 750 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [1,0,0,0,0,0|2,0,1]=4 751 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,0,0,0,0,0|1,0,1]=3 752 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,0,0,0,0,0|1,0,1]=3 753 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [1,0,0,0,0,0|2,0,1]=4 754 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [1,0,0,0,0,0|2,0,1]=4 755 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,0,0,0,0,0|1,0,1]=3 756 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,0,0,0,0,0|1,0,1]=3 757 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [1,0,0,0,0,0|1,1,1]=4 758 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [1,0,0,0,0,0|1,1,1]=4 759 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [1,0,0,0,0,0|1,1,1]=4 760 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [1,0,0,0,0,0|1,1,1]=4 761 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [1,0,0,0,0,0|2,0,1]=4 762 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,0,0,0,0,0|2,0,1]=4 763 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [1,0,0,0,0,0|2,0,1]=4 764 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,0,0,0,0,0|2,0,1]=4 765 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [1,0,0,0,0,0|2,0,1]=4 766 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [1,0,0,0,0,0|2,0,1]=4 767 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,0,0,0,0,0|1,0,1]=3 768 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,0,0,0,0,0|1,0,1]=3 769 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,0,0,0,0,0|1,0,1]=3 770 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,0,0,0,0,0|1,0,1]=3 771 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [1,0,0,0,0,0|2,0,1]=4 772 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [1,0,0,0,0,0|1,1,1]=4 773 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [1,0,0,0,0,0|1,1,1]=4 774 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,0,0,0,0,0|1,1,1]=4 775 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,0,0,0,0,0|1,1,1]=4 776 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [1,0,0,0,0,0|1,0,2]=4 777 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [1,0,0,0,0,0|1,0,2]=4 778 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [1,0,0,0,0,0|1,0,2]=4 779 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [1,0,0,0,0,0|1,0,2]=4 780 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [1,0,0,0,0,0|0,0,2]=3 781 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [1,0,0,0,0,0|0,0,2]=3 782 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [1,0,0,0,0,0|1,0,2]=4 783 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [1,0,0,0,0,0|1,0,2]=4 784 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [1,0,0,0,0,0|1,0,2]=4 785 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,0,0,0,0,0|1,0,2]=4 786 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [1,0,0,0,0,0|1,0,2]=4 787 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [1,0,0,0,0,0|1,0,2]=4 788 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [1,0,0,0,0,0|0,0,2]=3 789 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [1,0,0,0,0,0|0,0,2]=3 790 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,0,0,0,0,0|1,0,1]=3 791 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,0,0,0,0,0|2,0,1]=4 792 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,0,0,0,0,0|2,0,1]=4 793 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,0,0,0,0,0|2,0,1]=4 794 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,0,0,0,0,0|2,0,1]=4 795 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,0,0,0,0,0|2,0,1]=4 796 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,0,0,0,0,0|2,0,1]=4 797 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [1,0,0,0,0,0|1,0,2]=4 798 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [1,0,0,0,0,0|1,0,2]=4 799 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [1,0,0,0,0,0|1,0,2]=4 800 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [1,0,0,0,0,0|1,0,2]=4 801 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [1,0,0,0,0,0|0,0,2]=3 802 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [1,0,0,0,0,0|0,0,2]=3 803 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [1,0,0,0,0,0|1,0,2]=4 804 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [1,0,0,0,0,0|1,0,2]=4 805 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [1,0,0,0,0,0|1,0,2]=4 806 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [1,0,0,0,0,0|1,0,2]=4 807 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [1,0,0,0,0,0|1,0,2]=4 808 B8R0.8 CC#CCC(=O)C(O)O 1458a_100000233687_100000748600 [1,0,0,0,0,0|1,0,2]=4 809 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [1,0,0,0,0,0|0,0,2]=3 810 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [1,0,0,0,0,0|0,0,2]=3 811 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [1,0,0,0,0,0|2,0,1]=4 812 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [1,0,0,0,0,0|2,0,1]=4 813 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,0,0,0,0,0|2,0,0]=3 814 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,0,0,0,0,0|2,0,0]=3 815 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [1,0,0,0,0,0|3,0,0]=4 816 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [1,0,0,0,0,0|3,0,0]=4 817 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [1,0,0,0,0,0|3,0,0]=4 818 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [1,0,0,0,0,0|3,0,0]=4 819 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [1,0,0,0,0,0|3,0,0]=4 820 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [1,0,0,0,0,0|3,0,0]=4 821 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [1,0,0,0,0,0|3,0,0]=4 822 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [1,0,0,0,0,0|3,0,0]=4 823 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [1,0,0,0,0,0|2,0,0]=3 824 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [1,0,0,0,0,0|2,0,0]=3 825 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [1,0,0,0,0,0|2,0,1]=4 826 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,0,0,0,0,0|2,0,0]=3 827 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,0,0,0,0,0|2,0,0]=3 828 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [1,0,0,0,0,0|3,0,0]=4 829 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [1,0,0,0,0,0|3,0,0]=4 830 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [1,0,0,0,0,0|3,0,0]=4 831 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [1,0,0,0,0,0|3,0,0]=4 832 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [1,0,0,0,0,0|3,0,0]=4 833 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [1,0,0,0,0,0|3,0,0]=4 834 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,0,0,0,0,0|1,0,2]=4 835 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,0,0,0,0,0|1,0,2]=4 836 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [1,0,0,0,0,0|1,0,2]=4 837 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [1,0,0,0,0,0|1,0,2]=4 838 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [1,0,0,0,0,0|0,0,2]=3 839 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [1,0,0,0,0,0|0,0,2]=3 840 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [1,0,0,0,0,0|1,0,2]=4 841 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [1,0,0,0,0,0|1,0,2]=4 842 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,0,0,0,0,0|1,0,0]=2 843 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,0,0,0,0,0|1,0,0]=2 844 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,0,0,0,0,0|1,0,0]=2 845 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,0,0,0,0,0|1,0,0]=2 846 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,0,0,0,0,0|2,0,0]=3 847 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,0,0,0,0,0|2,0,0]=3 848 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,0,0,0,0,0|2,0,0]=3 849 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,0,0,0,0,0|2,0,0]=3 850 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,0,0,0,0,0|0,0,0]=1 851 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,0,0,0,0,0|0,0,0]=1 852 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [1,0,0,0,0,0|3,0,0]=4 853 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [1,0,0,0,0,0|3,0,0]=4 854 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [1,0,0,0,0,0|3,0,0]=4 855 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [1,0,0,0,0,0|3,0,0]=4 856 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [1,0,0,0,0,0|3,0,0]=4 857 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [1,0,0,0,0,0|3,0,0]=4 858 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [1,0,0,0,0,0|3,0,0]=4 859 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,0,0,0,0,0|1,0,2]=4 860 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,0,0,0,0,0|1,0,2]=4 861 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,0,0,0,0,0|2,0,0]=3 862 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,0,0,0,0,0|2,0,0]=3 863 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,0,0,0,0,0|2,0,0]=3 864 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,0,0,0,0,0|2,0,0]=3 865 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,0,0,0,0,0|2,0,0]=3 866 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,0,0,0,0,0|2,0,0]=3 867 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,0,0,0,0,0|2,0,0]=3 868 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,0,0,0,0,0|2,0,0]=3 869 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [1,0,0,0,0,0|3,0,0]=4 870 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [1,0,0,0,0,0|3,0,0]=4 871 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [1,0,0,0,0,0|3,0,0]=4 872 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [1,0,0,0,0,0|3,0,0]=4 873 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [1,0,0,0,0,0|2,0,0]=3 874 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,0,0,0,0,0|3,0,0]=4 875 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,0,0,0,0,0|1,0,0]=2 876 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,0,0,0,0,0|1,0,0]=2 877 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,0,0,0,0,0|1,0,0]=2 878 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,0,0,0,0,0|2,0,1]=4 879 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,0,0,0,0,0|2,0,0]=3 880 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [1,0,0,0,0,0|3,0,0]=4 881 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [1,0,0,0,0,0|3,0,0]=4 882 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [1,0,0,0,0,0|3,0,0]=4 883 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [1,0,0,0,0,0|3,0,0]=4 884 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [1,0,0,0,0,0|3,0,0]=4 885 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [1,0,0,0,0,0|3,0,0]=4 886 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [1,0,0,0,0,0|2,0,0]=3 887 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [1,0,0,0,0,0|2,0,0]=3 888 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,0,0,0,0,0|1,0,2]=4 889 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,0,0,0,0,0|2,0,0]=3 890 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,0,0,0,0,0|2,0,0]=3 891 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [1,0,0,0,0,0|3,0,0]=4 892 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [1,0,0,0,0,0|3,0,0]=4 893 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [1,0,0,0,0,0|3,0,0]=4 894 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [1,0,0,0,0,0|3,0,0]=4 895 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [1,0,0,0,0,0|3,0,0]=4 896 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,0,0,0,0,0|1,0,2]=4 897 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,0,0,0,0,0|1,0,2]=4 898 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,0,0,0,0,0|2,0,0]=3 899 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,0,0,0,0,0|2,0,0]=3 900 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,0,0,0,0,0|2,0,0]=3 901 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [1,0,0,0,0,0|3,0,0]=4 902 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [1,0,0,0,0,0|3,0,0]=4 903 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [1,0,0,0,0,0|3,0,0]=4 904 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [1,0,0,0,0,0|3,0,0]=4 905 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [1,0,0,0,0,0|3,0,0]=4 906 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [1,0,0,0,0,0|3,0,0]=4 907 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [1,0,0,0,0,0|3,0,0]=4 908 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [1,0,0,0,0,0|3,0,0]=4 909 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [1,0,0,0,0,0|3,0,0]=4 910 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [1,0,0,0,0,0|3,0,0]=4 911 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [1,0,0,0,0,0|3,0,0]=4 912 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [1,0,0,0,0,0|3,0,0]=4 913 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [1,0,0,0,0,0|3,0,0]=4 914 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,0,0,0,0,0|2,0,0]=3 915 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,0,0,0,0,0|2,0,0]=3 916 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,0,0,0,0,0|2,0,0]=3 917 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [1,0,0,0,0,0|2,0,0]=3 918 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [1,0,0,0,0,0|3,0,0]=4 919 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [1,0,0,0,0,0|3,0,0]=4 920 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [1,0,0,0,0,0|3,0,0]=4 921 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [1,0,0,0,0,0|3,0,0]=4 922 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [1,0,0,0,0,0|3,0,0]=4 923 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,0,0,0,0,0|1,0,0]=2 924 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,0,0,0,0,0|1,0,0]=2 925 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,0,0,0,0,0|2,0,0]=3 926 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,0,0,0,0,0|2,0,0]=3 927 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,0,0,0,0,0|2,0,0]=3 928 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [1,0,0,0,0,0|2,0,0]=3 929 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [1,0,0,0,0,0|3,0,0]=4 930 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [1,0,0,0,0,0|3,0,0]=4 931 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [1,0,0,0,0,0|3,0,0]=4 932 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [1,0,0,0,0,0|3,0,0]=4 933 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [1,0,0,0,0,0|3,0,0]=4 934 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [1,0,0,0,0,0|3,0,0]=4 935 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,0,0,0,0,0|1,0,0]=2 936 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,0,0,0,0,0|1,0,0]=2 937 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [1,0,0,0,0,0|2,0,0]=3 938 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [1,0,0,0,0,0|2,0,0]=3 939 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [1,0,0,0,0,0|1,0,1]=3 940 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,0,0,0,0,0|1,0,0]=2 941 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,0,0,0,0,0|1,0,0]=2 942 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [1,0,0,0,0,0|2,0,0]=3 943 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [1,0,0,0,0,0|2,0,0]=3 944 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [1,0,0,0,0,0|1,0,1]=3 945 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,0,0,0,0,0|1,0,0]=2 946 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,0,0,0,0,0|1,0,0]=2 947 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [1,0,0,0,0,0|2,0,1]=4 948 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [1,0,0,0,0,0|2,0,0]=3 949 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [1,0,0,0,0,0|2,0,0]=3 950 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [1,0,0,0,0,0|2,0,0]=3 951 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [1,0,0,0,0,0|2,0,1]=4 952 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [1,0,0,0,0,0|2,0,0]=3 953 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [1,0,0,0,0,0|2,0,0]=3 954 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [1,0,0,0,0,0|3,0,0]=4 955 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [1,0,0,0,0,0|3,0,0]=4 956 B10R0.5 C#CCCCC(=O)C(C)(C)O 1458a_100000242741_100000731252 [0,1,0,0,0,0|1,0,2]=4 957 B10R0.5 C#CCCNC(=O)C(C)(C)O 240690a_100000755551_100000242741 [0,1,0,0,0,0|1,0,2]=4 958 B10R0.5 C=CCCCC(=O)C(C)(C)O 1458a_100000242741_100000757094 [0,1,0,0,0,0|1,0,2]=4 959 B10R0.5 C=CCCNC(=O)C(C)(C)O 240690a_100015191253_100000242741 [0,1,0,0,0,0|1,0,2]=4 960 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 34a_100009817195_200025704644 [0,1,0,0,0,0|2,0,0]=3 961 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 7a_100009817195_200025704644 [0,1,0,0,0,0|2,0,0]=3 962 B10R0.5 CC(C)(C)C(=O)CCCCF 1458a_106744555173_100000729493 [0,1,0,0,0,0|3,0,0]=4 963 B10R0.5 CC(C)(C)C(=O)CCCCO 1458a_106744555173_100000210776 [0,1,0,0,0,0|3,0,0]=4 964 B10R0.5 CC(C)(C)C(=O)NCCCF 11a_100015189416_106744555173 [0,1,0,0,0,0|3,0,0]=4 965 B10R0.5 CC(C)(C)C(=O)NCCCF 1626a_100015189416_106744555173 [0,1,0,0,0,0|3,0,0]=4 966 B10R0.5 CC(C)(C)C(=O)NCCCF 240690a_100015189416_106744555173 [0,1,0,0,0,0|3,0,0]=4 967 B10R0.5 CC(C)(C)C(=O)NCCCF 527a_100015189416_106744555173 [0,1,0,0,0,0|3,0,0]=4 968 B10R0.5 CC(C)(C)C(=O)NCCCO 240690a_100000182051_106744555173 [0,1,0,0,0,0|3,0,0]=4 969 B10R0.5 CC(C)(C)C(=O)NCCCO 527a_100000182051_106744555173 [0,1,0,0,0,0|3,0,0]=4 970 B10R0.5 CC(C)(C)C(=O)OCSCF 62a_100000032063_100015361967 [0,1,0,0,0,0|3,0,0]=4 971 B10R0.5 CC(C)(C)C(=O)OCSCF 62a_100015361967_100000032063 [0,1,0,0,0,0|3,0,0]=4 972 B10R0.5 CC(C)(F)C(=O)CCCCF 1458a_100000765255_100000729493 [0,1,0,0,0,0|3,0,0]=4 973 B10R0.5 CC(C)(F)C(=O)CCCCO 1458a_100000765255_100000210776 [0,1,0,0,0,0|3,0,0]=4 974 B10R0.5 CC(C)(F)C(=O)NCCCF 11a_100015189416_100000765255 [0,1,0,0,0,0|3,0,0]=4 975 B10R0.5 CC(C)(F)C(=O)NCCCF 1626a_100015189416_100000765255 [0,1,0,0,0,0|3,0,0]=4 976 B10R0.5 CC(C)(F)C(=O)NCCCF 240690a_100015189416_100000765255 [0,1,0,0,0,0|3,0,0]=4 977 B10R0.5 CC(C)(F)C(=O)NCCCF 527a_100015189416_100000765255 [0,1,0,0,0,0|3,0,0]=4 978 B10R0.5 CC(C)(F)C(=O)NCCCO 240690a_100000182051_100000765255 [0,1,0,0,0,0|3,0,0]=4 979 B10R0.5 CC(C)(F)C(=O)NCCCO 527a_100000182051_100000765255 [0,1,0,0,0,0|3,0,0]=4 980 B10R0.5 CC(C)(O)C(=O)CCCC#N 1458a_100000242741_100000211468 [0,1,0,0,0,0|2,0,1]=4 981 B10R0.5 CC(C)(O)C(=O)CCCCF 1458a_100000242741_100000729493 [0,1,0,0,0,0|2,0,0]=3 982 B10R0.5 CC(C)(O)C(=O)CCCCO 1458a_100000242741_100000210776 [0,1,0,0,0,0|2,0,0]=3 983 B10R0.5 CC(C)(O)C(=O)NCCC#N 240690a_100000720768_100000242741 [0,1,0,0,0,0|2,0,1]=4 984 B10R0.5 CC(C)(O)C(=O)NCCCF 240690a_100015189416_100000242741 [0,1,0,0,0,0|2,0,0]=3 985 B10R0.5 CC(C)(O)C(=O)NCCCO 240690a_100000182051_100000242741 [0,1,0,0,0,0|2,0,0]=3 986 B10R0.5 CC(C)(O)C(=O)NNCCO 22a_100000210001_100000242741 [0,1,0,0,0,0|3,0,0]=4 987 B10R0.5 CC(F)(F)C(=O)NCCCF 11a_100015189416_100000042251 [0,1,0,0,0,0|3,0,0]=4 988 B10R0.5 CC(F)(F)C(=O)NCCCF 1626a_100015189416_100000042251 [0,1,0,0,0,0|3,0,0]=4 989 B10R0.5 CC(F)(F)C(=O)NCCCF 240690a_100015189416_100000042251 [0,1,0,0,0,0|3,0,0]=4 990 B10R0.5 CC(F)(F)C(=O)NCCCF 527a_100015189416_100000042251 [0,1,0,0,0,0|3,0,0]=4 991 B10R0.5 CC(F)(F)C(=O)NCCCO 240690a_100000182051_100000042251 [0,1,0,0,0,0|3,0,0]=4 992 B10R0.5 CC(F)(F)C(=O)NCCCO 527a_100000182051_100000042251 [0,1,0,0,0,0|3,0,0]=4 993 B10R0.5 CC/C=C\CC(=O)C(C)(C)O 1458a_100000242741_100103147603 [0,1,0,0,0,0|1,0,2]=4 994 B10R0.5 CCC#CCC(=O)C(C)(C)O 1458a_100000242741_100009813939 [0,1,0,0,0,0|1,0,2]=4 995 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,1,0,0,0,0|2,0,0]=3 996 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,1,0,0,0,0|2,0,0]=3 997 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,1,0,0,0,0|1,0,0]=2 998 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100000212188_200000243211 [0,1,0,0,0,0|3,0,0]=4 999 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210326 [0,1,0,0,0,0|3,0,0]=4 1000 B10R0.5 CCCCNC(=O)C(C)(C)C 11a_100000102301_106744555173 [0,1,0,0,0,0|2,0,0]=3 1001 B10R0.5 CCCCNC(=O)C(C)(C)C 1626a_100000102301_106744555173 [0,1,0,0,0,0|2,0,0]=3 1002 B10R0.5 CCCCNC(=O)C(C)(C)C 240690a_100000102301_106744555173 [0,1,0,0,0,0|2,0,0]=3 1003 B10R0.5 CCCCNC(=O)C(C)(C)C 527a_100000102301_106744555173 [0,1,0,0,0,0|2,0,0]=3 1004 B10R0.5 CCCCNC(=O)C(C)(C)F 11a_100000102301_100000765255 [0,1,0,0,0,0|2,0,0]=3 1005 B10R0.5 CCCCNC(=O)C(C)(C)F 1626a_100000102301_100000765255 [0,1,0,0,0,0|2,0,0]=3 1006 B10R0.5 CCCCNC(=O)C(C)(C)F 240690a_100000102301_100000765255 [0,1,0,0,0,0|2,0,0]=3 1007 B10R0.5 CCCCNC(=O)C(C)(C)F 527a_100000102301_100000765255 [0,1,0,0,0,0|2,0,0]=3 1008 B10R0.5 CCCCNC(=O)C(C)(C)O 240690a_100000102301_100000242741 [0,1,0,0,0,0|1,0,0]=2 1009 B10R0.5 CCCCNC(=O)C(C)(F)F 11a_100000102301_100000042251 [0,1,0,0,0,0|2,0,0]=3 1010 B10R0.5 CCCCNC(=O)C(C)(F)F 1626a_100000102301_100000042251 [0,1,0,0,0,0|2,0,0]=3 1011 B10R0.5 CCCCNC(=O)C(C)(F)F 240690a_100000102301_100000042251 [0,1,0,0,0,0|2,0,0]=3 1012 B10R0.5 CCCCNC(=O)C(C)(F)F 527a_100000102301_100000042251 [0,1,0,0,0,0|2,0,0]=3 1013 B10R0.5 CCCCNC(=O)C(F)(F)F 11a_100000102301_100015355933 [0,1,0,0,0,0|3,0,0]=4 1014 B10R0.5 CCCCNC(=O)C(F)(F)F 1626a_100000102301_100015355933 [0,1,0,0,0,0|3,0,0]=4 1015 B10R0.5 CCCCNC(=O)C(F)(F)F 240690a_100000102301_100015355933 [0,1,0,0,0,0|3,0,0]=4 1016 B10R0.5 CCCCNC(=O)C(F)(F)F 527a_100000102301_100000210220 [0,1,0,0,0,0|3,0,0]=4 1017 B10R0.5 CCCCNC(C)C(C)(C)O 269862a_100000102301_100000747739 [0,1,0,0,0,0|2,0,1]=4 1018 B10R0.5 CCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210211 [0,1,0,0,0,0|2,0,1]=4 1019 B10R0.5 CCCNN=C(C)C(C)(C)O 4a_100000740057_100000747739 [0,1,0,0,0,0|3,0,0]=4 1020 B10R0.5 CCCNNC(=O)C(C)(C)C 22a_100000740057_106744555173 [0,1,0,0,0,0|3,0,0]=4 1021 B10R0.5 CCCNNC(=O)C(C)(C)F 22a_100000740057_100000765255 [0,1,0,0,0,0|3,0,0]=4 1022 B10R0.5 CCCNNC(=O)C(C)(C)O 22a_100000740057_100000242741 [0,1,0,0,0,0|2,0,0]=3 1023 B10R0.5 CCCNNC(=O)C(C)(F)F 22a_100000740057_100000042251 [0,1,0,0,0,0|3,0,0]=4 1024 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_100000210258_100000229897 [0,1,0,0,0,0|3,0,0]=4 1025 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_200011592769_100000210303 [0,1,0,0,0,0|3,0,0]=4 1026 B10R0.5 CCCOCC(=O)C(C)(C)C 7a_200011592769_100000210303 [0,1,0,0,0,0|3,0,0]=4 1027 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210303_100000210923 [0,1,0,0,0,0|3,0,0]=4 1028 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210923_100000210303 [0,1,0,0,0,0|3,0,0]=4 1029 B10R0.5 CCOCCC(=O)C(C)(C)C 1458a_106744555173_100011215890 [0,1,0,0,0,0|3,0,0]=4 1030 B10R0.5 CCOCCC(=O)C(C)(C)F 1458a_100000765255_100011215890 [0,1,0,0,0,0|3,0,0]=4 1031 B10R0.5 CCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215890 [0,1,0,0,0,0|2,0,0]=3 1032 B10R0.5 CCSCCC(=O)C(C)(C)C 1458a_106744555173_100000757381 [0,1,0,0,0,0|3,0,0]=4 1033 B10R0.5 CCSCCC(=O)C(C)(C)F 1458a_100000765255_100000757381 [0,1,0,0,0,0|3,0,0]=4 1034 B10R0.5 CCSCCC(=O)C(C)(C)O 1458a_100000242741_100000757381 [0,1,0,0,0,0|2,0,0]=3 1035 B10R0.5 CCSCOC(=O)C(C)(C)C 62a_100000032063_100000210202 [0,1,0,0,0,0|2,0,0]=3 1036 B10R0.5 CCSCOC(=O)C(C)(C)C 62a_100000210202_100000032063 [0,1,0,0,0,0|2,0,0]=3 1037 B10R0.5 CNCCOC(=O)C(F)(F)F 34a_100102657272_200000066329 [0,1,0,0,0,0|3,0,0]=4 1038 B10R0.5 COCCCC(=O)C(C)(C)C 1458a_106744555173_100000740836 [0,1,0,0,0,0|3,0,0]=4 1039 B10R0.5 COCCCC(=O)C(C)(C)F 1458a_100000765255_100000740836 [0,1,0,0,0,0|3,0,0]=4 1040 B10R0.5 COCCCC(=O)C(C)(C)O 1458a_100000242741_100000740836 [0,1,0,0,0,0|2,0,0]=3 1041 B10R0.5 COCCNC(=O)C(C)(C)C 1626a_100000209980_106744555173 [0,1,0,0,0,0|3,0,0]=4 1042 B10R0.5 COCCNC(=O)C(C)(C)C 240690a_100000209980_106744555173 [0,1,0,0,0,0|3,0,0]=4 1043 B10R0.5 COCCNC(=O)C(C)(C)C 527a_100000209980_106744555173 [0,1,0,0,0,0|3,0,0]=4 1044 B10R0.5 COCCNC(=O)C(C)(C)F 1626a_100000209980_100000765255 [0,1,0,0,0,0|3,0,0]=4 1045 B10R0.5 COCCNC(=O)C(C)(C)F 240690a_100000209980_100000765255 [0,1,0,0,0,0|3,0,0]=4 1046 B10R0.5 COCCNC(=O)C(C)(C)F 527a_100000209980_100000765255 [0,1,0,0,0,0|3,0,0]=4 1047 B10R0.5 COCCNC(=O)C(C)(C)O 240690a_100000209980_100000242741 [0,1,0,0,0,0|2,0,0]=3 1048 B10R0.5 COCCNC(=O)C(C)(F)F 1626a_100000209980_100000042251 [0,1,0,0,0,0|3,0,0]=4 1049 B10R0.5 COCCNC(=O)C(C)(F)F 240690a_100000209980_100000042251 [0,1,0,0,0,0|3,0,0]=4 1050 B10R0.5 COCCNC(=O)C(C)(F)F 527a_100000209980_100000042251 [0,1,0,0,0,0|3,0,0]=4 1051 B10R0.5 COCCOC(=O)C(C)(C)Br 34a_100009817195_200000210301 [0,1,0,0,0,0|2,0,0]=3 1052 B10R0.5 COCCOC(=O)C(C)(C)Br 7a_100009817195_200000210301 [0,1,0,0,0,0|2,0,0]=3 1053 B10R0.5 COCCOC(=O)C(F)(F)F 34a_100138415774_200000066329 [0,1,0,0,0,0|3,0,0]=4 1054 B10R0.5 CSCCNC(=O)C(C)(C)C 11a_100020590264_106744555173 [0,1,0,0,0,0|3,0,0]=4 1055 B10R0.5 CSCCNC(=O)C(C)(C)C 1626a_100020590264_106744555173 [0,1,0,0,0,0|3,0,0]=4 1056 B10R0.5 CSCCNC(=O)C(C)(C)C 240690a_100020590264_106744555173 [0,1,0,0,0,0|3,0,0]=4 1057 B10R0.5 CSCCNC(=O)C(C)(C)C 527a_100020590264_106744555173 [0,1,0,0,0,0|3,0,0]=4 1058 B10R0.5 CSCCNC(=O)C(C)(C)F 11a_100020590264_100000765255 [0,1,0,0,0,0|3,0,0]=4 1059 B10R0.5 CSCCNC(=O)C(C)(C)F 1626a_100020590264_100000765255 [0,1,0,0,0,0|3,0,0]=4 1060 B10R0.5 CSCCNC(=O)C(C)(C)F 240690a_100020590264_100000765255 [0,1,0,0,0,0|3,0,0]=4 1061 B10R0.5 CSCCNC(=O)C(C)(C)F 527a_100020590264_100000765255 [0,1,0,0,0,0|3,0,0]=4 1062 B10R0.5 CSCCNC(=O)C(C)(C)O 240690a_100020590264_100000242741 [0,1,0,0,0,0|2,0,0]=3 1063 B10R0.5 CSCCNC(=O)C(C)(F)F 11a_100020590264_100000042251 [0,1,0,0,0,0|3,0,0]=4 1064 B10R0.5 CSCCNC(=O)C(C)(F)F 1626a_100020590264_100000042251 [0,1,0,0,0,0|3,0,0]=4 1065 B10R0.5 CSCCNC(=O)C(C)(F)F 240690a_100020590264_100000042251 [0,1,0,0,0,0|3,0,0]=4 1066 B10R0.5 CSCCNC(=O)C(C)(F)F 527a_100020590264_100000042251 [0,1,0,0,0,0|3,0,0]=4 1067 B10R0.5 CSCCOC(=O)C(F)(F)F 62a_200000066329_200000210301 [0,1,0,0,0,0|3,0,0]=4 1068 B10R0.5 CSCCOC(=O)C(F)(F)F 62a_200000210301_200000066329 [0,1,0,0,0,0|3,0,0]=4 1069 B10R0.5 [13CH3]SCCOC(=O)C(F)(F)F 62a_200000066329_200025704644 [0,1,0,0,0,0|3,0,0]=4 1070 B10R0.5 [13CH3]SCCOC(=O)C(F)(F)F 62a_200025704644_200000066329 [0,1,0,0,0,0|3,0,0]=4 1071 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 11a_100000102301_200015216371 [0,1,0,0,0,0|3,0,0]=4 1072 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 1626a_100000102301_200015216371 [0,1,0,0,0,0|3,0,0]=4 1073 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 240690a_100000102301_200015216371 [0,1,0,0,0,0|3,0,0]=4 1074 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 527a_100000102301_200015216371 [0,1,0,0,0,0|3,0,0]=4 1075 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,1,0,0,0,0|2,0,1]=4 1076 B10R0.26 C=C(C)C(=O)NC(C)CCC 11a_100000741246_100000185857 [0,1,0,0,0,0|2,0,1]=4 1077 B10R0.26 C=C(C)C(=O)NC(C)CCC 1626a_100000741246_100000185857 [0,1,0,0,0,0|2,0,1]=4 1078 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,1,0,0,0,0|2,0,1]=4 1079 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000210198 [0,1,0,0,0,0|3,0,0]=4 1080 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000210198 [0,1,0,0,0,0|3,0,0]=4 1081 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 240690a_100000706166_100000062450 [0,1,0,0,0,0|3,0,0]=4 1082 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 527a_100000706166_100000062450 [0,1,0,0,0,0|3,0,0]=4 1083 B10R0.26 CCCC(=CC(=O)C(C)C)C 1458a_100020676950_100000210206 [0,1,0,0,0,0|2,0,1]=4 1084 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,1,0,0,0,0|2,0,1]=4 1085 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,1,0,0,0,0|2,0,1]=4 1086 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,1,0,0,0,0|2,0,1]=4 1087 B10R0.26 CCCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747444 [0,1,0,0,0,0|2,0,1]=4 1088 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,1,0,0,0,0|1,0,1]=3 1089 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,1,0,0,0,0|1,0,1]=3 1090 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,1,0,0,0,0|2,0,0]=3 1091 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,1,0,0,0,0|2,0,0]=3 1092 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,1,0,0,0,0|2,0,0]=3 1093 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [0,1,0,0,0,0|2,0,0]=3 1094 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,1,0,0,0,0|3,0,0]=4 1095 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,1,0,0,0,0|3,0,0]=4 1096 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,1,0,0,0,0|3,0,0]=4 1097 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,1,0,0,0,0|3,0,0]=4 1098 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,1,0,0,0,0|1,0,0]=2 1099 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,1,0,0,0,0|1,0,0]=2 1100 B10R0.26 CCCC(C)NC(=O)C(C)C 11a_100000741246_100000210198 [0,1,0,0,0,0|2,0,0]=3 1101 B10R0.26 CCCC(C)NC(=O)C(C)C 1626a_100000741246_100000210198 [0,1,0,0,0,0|2,0,0]=3 1102 B10R0.26 CCCC(C)NC(=O)C(C)C 240690a_100000741246_100000210198 [0,1,0,0,0,0|2,0,0]=3 1103 B10R0.26 CCCC(C)NC(=O)C(C)C 527a_100000741246_100000210198 [0,1,0,0,0,0|2,0,0]=3 1104 B10R0.26 CCCC(C)NC(=O)C(C)F 11a_100000741246_100000062450 [0,1,0,0,0,0|2,0,0]=3 1105 B10R0.26 CCCC(C)NC(=O)C(C)F 1626a_100000741246_100000062450 [0,1,0,0,0,0|2,0,0]=3 1106 B10R0.26 CCCC(C)NC(=O)C(C)F 240690a_100000741246_100000062450 [0,1,0,0,0,0|2,0,0]=3 1107 B10R0.26 CCCC(C)NC(=O)C(C)F 527a_100000741246_100000062450 [0,1,0,0,0,0|2,0,0]=3 1108 B10R0.26 CCCC(C)NC(=O)C(F)F 11a_100000741246_100000210393 [0,1,0,0,0,0|3,0,0]=4 1109 B10R0.26 CCCC(C)NC(=O)C(F)F 1626a_100000741246_100000210393 [0,1,0,0,0,0|3,0,0]=4 1110 B10R0.26 CCCC(C)NC(=O)C(F)F 240690a_100000741246_100000210393 [0,1,0,0,0,0|3,0,0]=4 1111 B10R0.26 CCCC(C)NC(=O)C(F)F 527a_100000741246_100000210393 [0,1,0,0,0,0|3,0,0]=4 1112 B10R0.26 CCCC(C)NC(=O)C(O)O 240690a_100000741246_100000233687 [0,1,0,0,0,0|2,0,0]=3 1113 B10R0.26 CCCC(C)NC(=O)N(C)C 2708a_100000741246_100102631434 [0,1,0,0,0,0|3,0,0]=4 1114 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,1,0,0,0,0|1,0,0]=2 1115 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,1,0,0,0,0|1,0,0]=2 1116 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,1,0,0,0,0|1,0,0]=2 1117 B10R0.26 CCCC(C)OC(C)C(C)C 7a_100000748068_100000766640 [0,1,0,0,0,0|2,0,1]=4 1118 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [0,1,0,0,0,0|3,0,0]=4 1119 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [0,1,0,0,0,0|3,0,0]=4 1120 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [0,1,0,0,0,0|3,0,0]=4 1121 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [0,1,0,0,0,0|2,0,1]=4 1122 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [0,1,0,0,0,0|2,0,1]=4 1123 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,1,0,0,0,0|2,0,1]=4 1124 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,1,0,0,0,0|2,0,1]=4 1125 B10R0.26 CCSC(C)CC(=O)C(C)C 1458a_200011311441_100000210206 [0,1,0,0,0,0|3,0,0]=4 1126 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 11a_100000764878_100000210198 [0,1,0,0,0,0|3,0,0]=4 1127 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 1626a_100000764878_100000210198 [0,1,0,0,0,0|3,0,0]=4 1128 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 240690a_100000764878_100000210198 [0,1,0,0,0,0|3,0,0]=4 1129 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 527a_100000764878_100000210198 [0,1,0,0,0,0|3,0,0]=4 1130 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 11a_100000764878_100000062450 [0,1,0,0,0,0|3,0,0]=4 1131 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 1626a_100000764878_100000062450 [0,1,0,0,0,0|3,0,0]=4 1132 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 240690a_100000764878_100000062450 [0,1,0,0,0,0|3,0,0]=4 1133 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 527a_100000764878_100000062450 [0,1,0,0,0,0|3,0,0]=4 1134 B10R0.26 COC[C@@H](C)NC(=O)C(O)O 240690a_100000764878_100000233687 [0,1,0,0,0,0|3,0,0]=4 1135 B10R0.26 COC[C@@H](C)NC(=O)[C@@H](C)O 240690a_100000764878_100000717761 [0,1,0,0,0,0|2,0,0]=3 1136 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 1626a_100000764878_217856618621 [0,1,0,0,0,0|2,0,0]=3 1137 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 240690a_100000764878_217856618621 [0,1,0,0,0,0|2,0,0]=3 1138 B10R0.26 C[C@@H](CC#N)NC(=O)[C@@H](C)O 240690a_100016994482_100000717761 [0,1,0,0,0,0|2,0,1]=4 1139 B10R0.26 C[C@H](CCO)NC(=O)C(O)O 240690a_100000706166_100000233687 [0,1,0,0,0,0|3,0,0]=4 1140 B10R0.26 C[C@H](CCO)NC(=O)[C@@H](C)O 240690a_100000706166_100000717761 [0,1,0,0,0,0|2,0,0]=3 1141 B10R0.26 C[C@H](CCO)NC(=O)[C@H](C)O 240690a_100000706166_217856618621 [0,1,0,0,0,0|2,0,0]=3 1142 B10R0.26 C[C@H](O)C(=O)N[C@@H](C)CC#N 1626a_100016994482_217856618621 [0,1,0,0,0,0|2,0,1]=4 1143 B10R0.26 C[C@H](O)C(=O)N[C@@H](C)CC#N 240690a_100016994482_217856618621 [0,1,0,0,0,0|2,0,1]=4 1144 B10R0.42 CCCCNS(=O)(=O)C(C)C 270084a_100000102301_100000742656 [0,1,0,0,0,0|3,0,0]=4 1145 B10R0.42 CCCCNS(=O)(=O)C(C)C 274078a_100000102301_100000742656 [0,1,0,0,0,0|3,0,0]=4 1146 B10R0.42 CCCCOC(C)(C)C(C)C 7a_100011215261_100000210211 [0,1,0,0,0,0|2,0,1]=4 1147 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000210198_100010269958 [0,1,0,0,0,0|2,0,1]=4 1148 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000696528_100000210206 [0,1,0,0,0,0|2,0,1]=4 1149 B10R0.75 C#CCCCCC(=O)C(C)F 1458a_100000062450_100010269958 [0,1,0,0,0,0|2,0,1]=4 1150 B10R0.75 C#CCCCCC(=O)C(O)O 1458a_100000233687_100010269958 [0,1,0,0,0,0|2,0,1]=4 1151 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,1,0,0,0,0|1,0,1]=3 1152 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,1,0,0,0,0|1,0,1]=3 1153 B10R0.75 C#CCCCNC(=O)C(C)C 11a_100000718082_100000210198 [0,1,0,0,0,0|2,0,1]=4 1154 B10R0.75 C#CCCCNC(=O)C(C)C 1626a_100000718082_100000210198 [0,1,0,0,0,0|2,0,1]=4 1155 B10R0.75 C#CCCCNC(=O)C(C)C 240690a_100000718082_100000210198 [0,1,0,0,0,0|2,0,1]=4 1156 B10R0.75 C#CCCCNC(=O)C(C)C 527a_100000718082_100000210198 [0,1,0,0,0,0|2,0,1]=4 1157 B10R0.75 C#CCCCNC(=O)C(C)F 11a_100000718082_100000062450 [0,1,0,0,0,0|2,0,1]=4 1158 B10R0.75 C#CCCCNC(=O)C(C)F 1626a_100000718082_100000062450 [0,1,0,0,0,0|2,0,1]=4 1159 B10R0.75 C#CCCCNC(=O)C(C)F 240690a_100000718082_100000062450 [0,1,0,0,0,0|2,0,1]=4 1160 B10R0.75 C#CCCCNC(=O)C(C)F 527a_100000718082_100000062450 [0,1,0,0,0,0|2,0,1]=4 1161 B10R0.75 C#CCCCNC(=O)C(O)O 240690a_100000718082_100000233687 [0,1,0,0,0,0|2,0,1]=4 1162 B10R0.75 C#CCCCNC(=O)[C@@H](C)O 240690a_100000718082_100000717761 [0,1,0,0,0,0|1,0,1]=3 1163 B10R0.75 C#CCCCNC(=O)[C@H](C)O 1626a_100000718082_217856618621 [0,1,0,0,0,0|1,0,1]=3 1164 B10R0.75 C#CCCCNC(=O)[C@H](C)O 240690a_100000718082_217856618621 [0,1,0,0,0,0|1,0,1]=3 1165 B10R0.75 C#CCCOCC(=O)C(C)C 34a_100011215631_100000753385 [0,1,0,0,0,0|1,0,2]=4 1166 B10R0.75 C#CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100010402529 [0,1,0,0,0,0|1,0,2]=4 1167 B10R0.75 C#CCOCCC(=O)[C@H](C)O 1458a_217856618621_100010402529 [0,1,0,0,0,0|1,0,2]=4 1168 B10R0.75 C#CCSCOC(=O)C(C)C 62a_100000038162_100000139345 [0,1,0,0,0,0|1,0,2]=4 1169 B10R0.75 C/C=C/COCC(=O)C(C)C 34a_100016270725_100000753385 [0,1,0,0,0,0|1,0,2]=4 1170 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,1,0,0,0,0|2,0,1]=4 1171 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,1,0,0,0,0|2,0,1]=4 1172 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,1,0,0,0,0|2,0,1]=4 1173 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,1,0,0,0,0|2,0,1]=4 1174 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,1,0,0,0,0|2,0,1]=4 1175 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,1,0,0,0,0|2,0,1]=4 1176 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,1,0,0,0,0|1,0,1]=3 1177 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,1,0,0,0,0|2,0,1]=4 1178 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,1,0,0,0,0|2,0,1]=4 1179 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,1,0,0,0,0|2,0,1]=4 1180 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,1,0,0,0,0|2,0,1]=4 1181 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,1,0,0,0,0|2,0,1]=4 1182 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,1,0,0,0,0|2,0,1]=4 1183 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,1,0,0,0,0|2,0,1]=4 1184 B10R0.75 C=C(C)C(=O)NCCNCC 2230a_100102636416_100000210202 [0,1,0,0,0,0|2,0,1]=4 1185 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,1,0,0,0,0|2,0,1]=4 1186 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,1,0,0,0,0|2,0,1]=4 1187 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,1,0,0,0,0|2,0,1]=4 1188 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,1,0,0,0,0|2,0,1]=4 1189 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [0,1,0,0,0,0|2,0,1]=4 1190 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,1,0,0,0,0|1,0,1]=3 1191 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,1,0,0,0,0|1,0,1]=3 1192 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,1,0,0,0,0|1,0,1]=3 1193 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,1,0,0,0,0|1,0,1]=3 1194 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,1,0,0,0,0|1,0,1]=3 1195 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,1,0,0,0,0|1,0,1]=3 1196 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100009816335_100015361967 [0,1,0,0,0,0|2,0,1]=4 1197 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100015361967_100009816335 [0,1,0,0,0,0|2,0,1]=4 1198 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,1,0,0,0,0|2,0,1]=4 1199 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,1,0,0,0,0|2,0,1]=4 1200 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,1,0,0,0,0|2,0,1]=4 1201 B10R0.75 C=CCCCCC(=O)C(O)O 1458a_100000233687_100011215482 [0,1,0,0,0,0|2,0,1]=4 1202 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,1,0,0,0,0|1,0,1]=3 1203 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,1,0,0,0,0|1,0,1]=3 1204 B10R0.75 C=CCCCNC(=O)C(C)C 11a_100000700776_100000210198 [0,1,0,0,0,0|2,0,1]=4 1205 B10R0.75 C=CCCCNC(=O)C(C)C 1626a_100000700776_100000210198 [0,1,0,0,0,0|2,0,1]=4 1206 B10R0.75 C=CCCCNC(=O)C(C)C 240690a_100000700776_100000210198 [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.75 C=CCCCNC(=O)C(C)C 527a_100000700776_100000210198 [0,1,0,0,0,0|2,0,1]=4 1208 B10R0.75 C=CCCCNC(=O)C(C)F 11a_100000700776_100000062450 [0,1,0,0,0,0|2,0,1]=4 1209 B10R0.75 C=CCCCNC(=O)C(C)F 1626a_100000700776_100000062450 [0,1,0,0,0,0|2,0,1]=4 1210 B10R0.75 C=CCCCNC(=O)C(C)F 240690a_100000700776_100000062450 [0,1,0,0,0,0|2,0,1]=4 1211 B10R0.75 C=CCCCNC(=O)C(C)F 527a_100000700776_100000062450 [0,1,0,0,0,0|2,0,1]=4 1212 B10R0.75 C=CCCCNC(=O)C(O)O 240690a_100000700776_100000233687 [0,1,0,0,0,0|2,0,1]=4 1213 B10R0.75 C=CCCCNC(=O)[C@@H](C)O 240690a_100000700776_100000717761 [0,1,0,0,0,0|1,0,1]=3 1214 B10R0.75 C=CCCCNC(=O)[C@H](C)O 1626a_100000700776_217856618621 [0,1,0,0,0,0|1,0,1]=3 1215 B10R0.75 C=CCCCNC(=O)[C@H](C)O 240690a_100000700776_217856618621 [0,1,0,0,0,0|1,0,1]=3 1216 B10R0.75 C=CCCOCC(=O)C(C)C 34a_100011205117_100000753385 [0,1,0,0,0,0|1,0,2]=4 1217 B10R0.75 C=CCSCOC(=O)C(C)C 62a_100000139345_100000210623 [0,1,0,0,0,0|1,0,2]=4 1218 B10R0.75 C=CCSCOC(=O)C(C)C 62a_100000210623_100000139345 [0,1,0,0,0,0|1,0,2]=4 1219 B10R0.75 CC#CCOCC(=O)C(C)C 34a_100000761923_100000753385 [0,1,0,0,0,0|1,0,2]=4 1220 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,1,0,0,0,0|1,0,2]=4 1221 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,1,0,0,0,0|1,0,2]=4 1222 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,1,0,0,0,0|1,0,2]=4 1223 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,1,0,0,0,0|1,0,2]=4 1224 B10R0.75 CC(C)C(=O)CCCCC#N 1458a_100000210198_100000211819 [0,1,0,0,0,0|2,0,1]=4 1225 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,1,0,0,0,0|2,0,0]=3 1226 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,1,0,0,0,0|2,0,0]=3 1227 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,1,0,0,0,0|2,0,0]=3 1228 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [0,1,0,0,0,0|3,0,0]=4 1229 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [0,1,0,0,0,0|3,0,0]=4 1230 B10R0.75 CC(C)C(=O)CNCCCF 2230a_100015189416_100000753385 [0,1,0,0,0,0|3,0,0]=4 1231 B10R0.75 CC(C)C(=O)CNCCCF 34a_100015189416_100000753385 [0,1,0,0,0,0|3,0,0]=4 1232 B10R0.75 CC(C)C(=O)COCCCBr 34a_100011217188_100000753385 [0,1,0,0,0,0|2,0,0]=3 1233 B10R0.75 CC(C)C(=O)COCCCCl 34a_100000230001_100000753385 [0,1,0,0,0,0|2,0,0]=3 1234 B10R0.75 CC(C)C(=O)COCCCF 34a_100000759539_100000753385 [0,1,0,0,0,0|2,0,0]=3 1235 B10R0.75 CC(C)C(=O)COCCCN 34a_100000182051_100000753385 [0,1,0,0,0,0|2,0,0]=3 1236 B10R0.75 CC(C)C(=O)COCCON 34a_100000700252_100000753385 [0,1,0,0,0,0|3,0,0]=4 1237 B10R0.75 CC(C)C(=O)CSCCCF 62a_100000753385_100011934791 [0,1,0,0,0,0|2,1,0]=4 1238 B10R0.75 CC(C)C(=O)CSCCCF 62a_100011934791_100000753385 [0,1,0,0,0,0|2,1,0]=4 1239 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [0,1,0,0,0,0|2,1,0]=4 1240 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [0,1,0,0,0,0|2,1,0]=4 1241 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [0,1,0,0,0,0|2,0,0]=3 1242 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [0,1,0,0,0,0|2,0,0]=3 1243 B10R0.75 CC(C)C(=O)NCCNCF 34a_100000752568_100015361967 [0,1,0,0,0,0|3,0,0]=4 1244 B10R0.75 CC(C)C(=O)OCSCC#N 62a_100000139345_100011215382 [0,1,0,0,0,0|2,0,1]=4 1245 B10R0.75 CC(C)C(=O)OCSCC#N 62a_100011215382_100000139345 [0,1,0,0,0,0|2,0,1]=4 1246 B10R0.75 CC(C)C(=O)OCSCC=O 62a_100000139345_200015260668 [0,1,0,0,0,0|2,0,1]=4 1247 B10R0.75 CC(C)C(=O)OCSCC=O 62a_200015260668_100000139345 [0,1,0,0,0,0|2,0,1]=4 1248 B10R0.75 CC(C)C(=O)OCSCCF 62a_100000139345_100011217306 [0,1,0,0,0,0|2,0,0]=3 1249 B10R0.75 CC(C)C(=O)OCSCCF 62a_100011217306_100000139345 [0,1,0,0,0,0|2,0,0]=3 1250 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000139345_100000211926 [0,1,0,0,0,0|2,0,0]=3 1251 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000211926_100000139345 [0,1,0,0,0,0|2,0,0]=3 1252 B10R0.75 CC(C)C(C)OCCCCF 7a_100000748068_100000729493 [0,1,0,0,0,0|2,0,1]=4 1253 B10R0.75 CC(C)C(C)OCCCCO 7a_100000748068_100000210776 [0,1,0,0,0,0|2,0,1]=4 1254 B10R0.75 CC(F)C(=O)CCCCC#N 1458a_100000062450_100000211819 [0,1,0,0,0,0|2,0,1]=4 1255 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,1,0,0,0,0|2,0,0]=3 1256 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,1,0,0,0,0|2,0,0]=3 1257 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [0,1,0,0,0,0|3,0,0]=4 1258 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [0,1,0,0,0,0|2,0,0]=3 1259 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [0,1,0,0,0,0|2,0,0]=3 1260 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [0,1,0,0,0,0|2,0,1]=4 1261 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [0,1,0,0,0,0|2,0,1]=4 1262 B10R0.75 CC/C=C\CCC(=O)C(O)O 1458a_100000233687_100015370543 [0,1,0,0,0,0|2,0,1]=4 1263 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,1,0,0,0,0|1,0,1]=3 1264 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,1,0,0,0,0|1,0,1]=3 1265 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,1,0,0,0,0|2,0,1]=4 1266 B10R0.75 CCCC=NNC(=O)C(C)C 4a_100000184118_100000185831 [0,1,0,0,0,0|2,0,1]=4 1267 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,1,0,0,0,0|2,0,0]=3 1268 B10R0.75 CCCCC=CC(=O)N(C)C 11a_100102631434_100016266645 [0,1,0,0,0,0|3,0,0]=4 1269 B10R0.75 CCCCC=CC(=O)N(C)C 1626a_100102631434_100016266645 [0,1,0,0,0,0|3,0,0]=4 1270 B10R0.75 CCCCC=CC(=O)N(C)C 240690a_100102631434_100016266645 [0,1,0,0,0,0|3,0,0]=4 1271 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,1,0,0,0,0|2,0,0]=3 1272 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,1,0,0,0,0|2,0,0]=3 1273 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,1,0,0,0,0|2,0,0]=3 1274 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,1,0,0,0,0|2,0,0]=3 1275 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,1,0,0,0,0|3,0,0]=4 1276 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,1,0,0,0,0|3,0,0]=4 1277 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,1,0,0,0,0|3,0,0]=4 1278 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,1,0,0,0,0|3,0,0]=4 1279 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,1,0,0,0,0|1,0,0]=2 1280 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,1,0,0,0,0|1,0,0]=2 1281 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,1,0,0,0,0|2,0,0]=3 1282 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,1,0,0,0,0|2,0,0]=3 1283 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,1,0,0,0,0|2,0,0]=3 1284 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,1,0,0,0,0|2,0,0]=3 1285 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,1,0,0,0,0|2,0,0]=3 1286 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,1,0,0,0,0|2,0,0]=3 1287 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,1,0,0,0,0|2,0,0]=3 1288 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,1,0,0,0,0|2,0,0]=3 1289 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,1,0,0,0,0|3,0,0]=4 1290 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,1,0,0,0,0|3,0,0]=4 1291 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,1,0,0,0,0|3,0,0]=4 1292 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,1,0,0,0,0|3,0,0]=4 1293 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,1,0,0,0,0|2,0,0]=3 1294 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,1,0,0,0,0|3,0,0]=4 1295 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,1,0,0,0,0|1,0,0]=2 1296 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,1,0,0,0,0|1,0,0]=2 1297 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,1,0,0,0,0|1,0,0]=2 1298 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,1,0,0,0,0|2,0,1]=4 1299 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,1,0,0,0,0|2,0,0]=3 1300 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,1,0,0,0,0|2,0,0]=3 1301 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,1,0,0,0,0|3,0,0]=4 1302 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,1,0,0,0,0|3,0,0]=4 1303 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,1,0,0,0,0|3,0,0]=4 1304 B10R0.75 CCCCNN=C(C)C(C)C 4a_100025702795_100000211110 [0,1,0,0,0,0|3,0,0]=4 1305 B10R0.75 CCCCNN=C(C)C(C)O 4a_100025702795_100000212229 [0,1,0,0,0,0|2,0,0]=3 1306 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [0,1,0,0,0,0|2,0,0]=3 1307 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [0,1,0,0,0,0|2,0,0]=3 1308 B10R0.75 CCCCNNC(=O)C(F)F 22a_100025702795_100000210393 [0,1,0,0,0,0|3,0,0]=4 1309 B10R0.75 CCCCNNC(=O)C(O)O 22a_100025702795_100000233687 [0,1,0,0,0,0|2,0,0]=3 1310 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,1,0,0,0,0|1,0,0]=2 1311 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,1,0,0,0,0|1,0,0]=2 1312 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,1,0,0,0,0|0,0,2]=3 1313 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,1,0,0,0,0|1,0,0]=2 1314 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,1,0,0,0,0|1,0,0]=2 1315 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,1,0,0,0,0|1,0,0]=2 1316 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,1,0,0,0,0|1,0,0]=2 1317 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,1,0,0,0,0|1,0,0]=2 1318 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,1,0,0,0,0|1,0,0]=2 1319 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,1,0,0,0,0|2,0,0]=3 1320 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,1,0,0,0,0|2,0,0]=3 1321 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,1,0,0,0,0|2,0,0]=3 1322 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,1,0,0,0,0|2,0,0]=3 1323 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,1,0,0,0,0|2,0,0]=3 1324 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,1,0,0,0,0|2,0,0]=3 1325 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,1,0,0,0,0|0,0,0]=1 1326 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,1,0,0,0,0|0,0,0]=1 1327 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [0,1,0,0,0,0|3,0,0]=4 1328 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,1,0,0,0,0|2,0,1]=4 1329 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,1,0,0,0,0|0,1,2]=4 1330 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,1,0,0,0,0|0,1,2]=4 1331 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,1,0,0,0,0|1,1,0]=3 1332 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,1,0,0,0,0|1,1,0]=3 1333 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,1,0,0,0,0|1,1,0]=3 1334 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,1,0,0,0,0|2,1,0]=4 1335 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,1,0,0,0,0|2,1,0]=4 1336 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,1,0,0,0,0|2,1,0]=4 1337 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,1,0,0,0,0|2,1,0]=4 1338 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,1,0,0,0,0|2,1,0]=4 1339 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,1,0,0,0,0|2,1,0]=4 1340 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,1,0,0,0,0|3,0,0]=4 1341 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,1,0,0,0,0|2,0,0]=3 1342 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,1,0,0,0,0|2,0,0]=3 1343 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,1,0,0,0,0|2,0,0]=3 1344 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,1,0,0,0,0|3,0,0]=4 1345 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,1,0,0,0,0|1,0,0]=2 1346 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,1,0,0,0,0|1,0,0]=2 1347 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,1,0,0,0,0|3,0,0]=4 1348 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,1,0,0,0,0|3,0,0]=4 1349 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [0,1,0,0,0,0|1,0,0]=2 1350 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [0,1,0,0,0,0|1,0,0]=2 1351 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,1,0,0,0,0|3,0,0]=4 1352 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,1,0,0,0,0|3,0,0]=4 1353 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [0,1,0,0,0,0|2,0,0]=3 1354 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [0,1,0,0,0,0|2,0,0]=3 1355 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,1,0,0,0,0|2,0,0]=3 1356 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,1,0,0,0,0|2,0,0]=3 1357 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,1,0,0,0,0|2,0,0]=3 1358 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,1,0,0,0,0|1,0,0]=2 1359 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,1,0,0,0,0|1,0,0]=2 1360 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [0,1,0,0,0,0|2,0,0]=3 1361 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [0,1,0,0,0,0|2,0,0]=3 1362 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [0,1,0,0,0,0|2,0,0]=3 1363 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [0,1,0,0,0,0|2,0,0]=3 1364 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [0,1,0,0,0,0|2,0,0]=3 1365 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [0,1,0,0,0,0|2,0,0]=3 1366 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [0,1,0,0,0,0|2,0,0]=3 1367 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [0,1,0,0,0,0|2,0,0]=3 1368 B10R0.75 CCOCCNC(=O)C(F)F 11a_100011200944_100000210393 [0,1,0,0,0,0|3,0,0]=4 1369 B10R0.75 CCOCCNC(=O)C(F)F 1626a_102516460346_100000210393 [0,1,0,0,0,0|3,0,0]=4 1370 B10R0.75 CCOCCNC(=O)C(F)F 240690a_100011200944_100000210393 [0,1,0,0,0,0|3,0,0]=4 1371 B10R0.75 CCOCCNC(=O)C(F)F 527a_100011200944_100000210393 [0,1,0,0,0,0|3,0,0]=4 1372 B10R0.75 CCOCCNC(=O)C(O)O 240690a_100011200944_100000233687 [0,1,0,0,0,0|2,0,0]=3 1373 B10R0.75 CCOCCNC(=O)N(C)C 2708a_100011200944_100102631434 [0,1,0,0,0,0|3,0,0]=4 1374 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,1,0,0,0,0|1,0,0]=2 1375 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,1,0,0,0,0|1,0,0]=2 1376 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,1,0,0,0,0|1,0,0]=2 1377 B10R0.75 CCOCCOC(C)C(C)C 7a_100000748068_100011215890 [0,1,0,0,0,0|2,0,1]=4 1378 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000739092_100000753385 [0,1,0,0,0,0|2,1,0]=4 1379 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000753385_100000739092 [0,1,0,0,0,0|2,1,0]=4 1380 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,1,0,0,0,0|3,0,0]=4 1381 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,1,0,0,0,0|3,0,0]=4 1382 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [0,1,0,0,0,0|2,0,0]=3 1383 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [0,1,0,0,0,0|2,0,0]=3 1384 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [0,1,0,0,0,0|2,0,0]=3 1385 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [0,1,0,0,0,0|2,0,0]=3 1386 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [0,1,0,0,0,0|2,0,0]=3 1387 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [0,1,0,0,0,0|2,0,0]=3 1388 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [0,1,0,0,0,0|2,0,0]=3 1389 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [0,1,0,0,0,0|2,0,0]=3 1390 B10R0.75 CCSCCNC(=O)C(F)F 11a_100000106463_100000210393 [0,1,0,0,0,0|3,0,0]=4 1391 B10R0.75 CCSCCNC(=O)C(F)F 1626a_100000106463_100000210393 [0,1,0,0,0,0|3,0,0]=4 1392 B10R0.75 CCSCCNC(=O)C(F)F 240690a_100000106463_100000210393 [0,1,0,0,0,0|3,0,0]=4 1393 B10R0.75 CCSCCNC(=O)C(F)F 527a_100000106463_100000210393 [0,1,0,0,0,0|3,0,0]=4 1394 B10R0.75 CCSCCNC(=O)C(O)O 240690a_100000106463_100000233687 [0,1,0,0,0,0|2,0,0]=3 1395 B10R0.75 CCSCCNC(=O)N(C)C 2708a_100000106463_100102631434 [0,1,0,0,0,0|3,0,0]=4 1396 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,1,0,0,0,0|1,0,0]=2 1397 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,1,0,0,0,0|1,0,0]=2 1398 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,1,0,0,0,0|1,0,0]=2 1399 B10R0.75 CCSCCOC(C)C(C)C 7a_100000748068_100000757381 [0,1,0,0,0,0|2,0,1]=4 1400 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,1,0,0,0,0|3,0,0]=4 1401 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,1,0,0,0,0|3,0,0]=4 1402 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,1,0,0,0,0|3,0,0]=4 1403 B10R0.75 CN(C)C(=O)COCCCBr 34a_100011217188_100000692301 [0,1,0,0,0,0|3,0,0]=4 1404 B10R0.75 CN(C)C(=O)COCCCCl 34a_100000230001_100000692301 [0,1,0,0,0,0|3,0,0]=4 1405 B10R0.75 CN(C)C(=O)COCCCF 34a_100000759539_100000692301 [0,1,0,0,0,0|3,0,0]=4 1406 B10R0.75 CN(C)C(=O)COCCCN 34a_100000182051_100000692301 [0,1,0,0,0,0|3,0,0]=4 1407 B10R0.75 CN(C)C(=O)NCCCCO 2708a_100000750430_100102631434 [0,1,0,0,0,0|3,0,0]=4 1408 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,1,0,0,0,0|3,0,0]=4 1409 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,1,0,0,0,0|3,0,0]=4 1410 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,1,0,0,0,0|2,0,0]=3 1411 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,1,0,0,0,0|2,0,0]=3 1412 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,1,0,0,0,0|2,0,0]=3 1413 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,1,0,0,0,0|3,0,0]=4 1414 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,1,0,0,0,0|1,0,0]=2 1415 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,1,0,0,0,0|1,0,0]=2 1416 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,1,0,0,0,0|2,0,0]=3 1417 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,1,0,0,0,0|2,0,0]=3 1418 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,1,0,0,0,0|2,0,0]=3 1419 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,1,0,0,0,0|2,0,0]=3 1420 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,1,0,0,0,0|2,0,0]=3 1421 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,1,0,0,0,0|2,0,0]=3 1422 B10R0.75 COCCCNC(=O)C(F)F 1626a_100150723488_100000210393 [0,1,0,0,0,0|3,0,0]=4 1423 B10R0.75 COCCCNC(=O)C(F)F 240690a_100150723488_100000210393 [0,1,0,0,0,0|3,0,0]=4 1424 B10R0.75 COCCCNC(=O)C(F)F 527a_100150723488_100000210393 [0,1,0,0,0,0|3,0,0]=4 1425 B10R0.75 COCCCNC(=O)C(O)O 240690a_100150723488_100000233687 [0,1,0,0,0,0|2,0,0]=3 1426 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,1,0,0,0,0|3,0,0]=4 1427 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,1,0,0,0,0|1,0,0]=2 1428 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,1,0,0,0,0|1,0,0]=2 1429 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,1,0,0,0,0|1,0,0]=2 1430 B10R0.75 COCCCOC(C)C(C)C 7a_100000748068_100000740836 [0,1,0,0,0,0|2,0,1]=4 1431 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [0,1,0,0,0,0|3,0,0]=4 1432 B10R0.75 COCCNNC(=O)C(C)C 22a_100000741390_100000210198 [0,1,0,0,0,0|3,0,0]=4 1433 B10R0.75 COCCNNC(=O)C(C)F 22a_100000741390_100000062450 [0,1,0,0,0,0|3,0,0]=4 1434 B10R0.75 COCCNNC(=O)C(O)O 22a_100000741390_100000233687 [0,1,0,0,0,0|3,0,0]=4 1435 B10R0.75 COCCNNC(=O)[C@@H](C)O 22a_100000741390_100000717761 [0,1,0,0,0,0|2,0,0]=3 1436 B10R0.75 COCCNNC(=O)[C@H](C)O 22a_100000741390_217856618621 [0,1,0,0,0,0|2,0,0]=3 1437 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,1,0,0,0,0|1,0,2]=4 1438 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,1,0,0,0,0|2,0,0]=3 1439 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,1,0,0,0,0|2,0,0]=3 1440 B10R0.75 COCCOCC(=O)N(C)C 11a_100102631434_100000211095 [0,1,0,0,0,0|3,0,0]=4 1441 B10R0.75 COCCOCC(=O)N(C)C 1626a_100102631434_100000211095 [0,1,0,0,0,0|3,0,0]=4 1442 B10R0.75 COCCOCC(=O)N(C)C 240690a_100102631434_100000211095 [0,1,0,0,0,0|3,0,0]=4 1443 B10R0.75 COCCOCC(=O)N(C)C 34a_100000210237_100000692301 [0,1,0,0,0,0|3,0,0]=4 1444 B10R0.75 COCCOCC(=O)N(C)C 527a_100102631434_100000211095 [0,1,0,0,0,0|3,0,0]=4 1445 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [0,1,0,0,0,0|2,1,0]=4 1446 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [0,1,0,0,0,0|2,1,0]=4 1447 B10R0.75 COCSCOC(=O)C(C)C 62a_100000139345_100000766300 [0,1,0,0,0,0|2,0,0]=3 1448 B10R0.75 COCSCOC(=O)C(C)C 62a_100000766300_100000139345 [0,1,0,0,0,0|2,0,0]=3 1449 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,1,0,0,0,0|3,0,0]=4 1450 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,1,0,0,0,0|3,0,0]=4 1451 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,1,0,0,0,0|2,0,0]=3 1452 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,1,0,0,0,0|2,0,0]=3 1453 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,1,0,0,0,0|2,0,0]=3 1454 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,1,0,0,0,0|2,0,0]=3 1455 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,1,0,0,0,0|2,0,0]=3 1456 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,1,0,0,0,0|2,0,0]=3 1457 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,1,0,0,0,0|2,0,0]=3 1458 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,1,0,0,0,0|2,0,0]=3 1459 B10R0.75 CSCCCNC(=O)C(F)F 11a_100000749238_100000210393 [0,1,0,0,0,0|3,0,0]=4 1460 B10R0.75 CSCCCNC(=O)C(F)F 1626a_100000749238_100000210393 [0,1,0,0,0,0|3,0,0]=4 1461 B10R0.75 CSCCCNC(=O)C(F)F 240690a_100000749238_100000210393 [0,1,0,0,0,0|3,0,0]=4 1462 B10R0.75 CSCCCNC(=O)C(F)F 527a_100000749238_100000210393 [0,1,0,0,0,0|3,0,0]=4 1463 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,1,0,0,0,0|2,0,0]=3 1464 B10R0.75 CSCCCNC(=O)N(C)C 2708a_100000749238_100102631434 [0,1,0,0,0,0|3,0,0]=4 1465 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,1,0,0,0,0|1,0,0]=2 1466 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,1,0,0,0,0|1,0,0]=2 1467 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,1,0,0,0,0|1,0,0]=2 1468 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,1,0,0,0,0|3,0,0]=4 1469 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,1,0,0,0,0|1,0,2]=4 1470 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [0,1,0,0,0,0|2,0,0]=3 1471 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [0,1,0,0,0,0|2,0,0]=3 1472 B10R0.75 CSCCOCC(=O)N(C)C 34a_100000230434_100000692301 [0,1,0,0,0,0|3,0,0]=4 1473 B10R0.75 CSCCOCC(=O)N(C)C 7a_100000230434_100000692301 [0,1,0,0,0,0|3,0,0]=4 1474 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [0,1,0,0,0,0|2,1,0]=4 1475 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [0,1,0,0,0,0|2,1,0]=4 1476 B10R0.75 CSCSCOC(=O)C(C)C 62a_100000139345_100011218213 [0,1,0,0,0,0|2,0,0]=3 1477 B10R0.75 CSCSCOC(=O)C(C)C 62a_100011218213_100000139345 [0,1,0,0,0,0|2,0,0]=3 1478 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,1,0,0,0,0|1,0,1]=3 1479 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,1,0,0,0,0|1,0,0]=2 1480 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,1,0,0,0,0|1,0,0]=2 1481 B10R0.75 C[C@@H](O)C(=O)CCOCC#N 1458a_100000717761_200000047693 [0,1,0,0,0,0|2,0,1]=4 1482 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,1,0,0,0,0|2,0,0]=3 1483 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,1,0,0,0,0|1,0,0]=2 1484 B10R0.75 C[C@@H](O)C(=O)NNCCC#N 22a_100000229987_100000717761 [0,1,0,0,0,0|2,0,1]=4 1485 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,1,0,0,0,0|1,0,1]=3 1486 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,1,0,0,0,0|1,0,0]=2 1487 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,1,0,0,0,0|1,0,0]=2 1488 B10R0.75 C[C@H](O)C(=O)CCOCC#N 1458a_217856618621_200000047693 [0,1,0,0,0,0|2,0,1]=4 1489 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,1,0,0,0,0|2,0,0]=3 1490 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,1,0,0,0,0|1,0,0]=2 1491 B10R0.75 C[C@H](O)C(=O)NNCCC#N 22a_100000229987_217856618621 [0,1,0,0,0,0|2,0,1]=4 1492 B10R0.75 N#CCCCCC(=O)C(O)O 1458a_100000233687_100000211819 [0,1,0,0,0,0|2,0,1]=4 1493 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,1,0,0,0,0|2,0,0]=3 1494 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,1,0,0,0,0|2,0,0]=3 1495 B10R0.75 O=C(CCOCCO)C(O)O 1458a_100000233687_100011215305 [0,1,0,0,0,0|3,0,0]=4 1496 B10R0.75 O=C(NCCCCO)C(F)F 240690a_100000750430_100000210393 [0,1,0,0,0,0|3,0,0]=4 1497 B10R0.75 O=C(NCCCCO)C(F)F 527a_100000750430_100000210393 [0,1,0,0,0,0|3,0,0]=4 1498 B10R0.75 O=C(NCCCCO)C(O)O 240690a_100000750430_100000233687 [0,1,0,0,0,0|2,0,0]=3 1499 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,1,0,0,0,0|2,0,1]=4 1500 B10R0.81 C=C(C)C(=O)N(C)CCCC 11a_100000207549_100000185857 [0,1,0,0,0,0|2,0,1]=4 1501 B10R0.81 C=C(C)C(=O)N(C)CCCC 1626a_100000207549_100000185857 [0,1,0,0,0,0|2,0,1]=4 1502 B10R0.81 C=CCCN(C)C(=O)[C@@H](C)O 240690a_100020639649_100000717761 [0,1,0,0,0,0|1,0,2]=4 1503 B10R0.81 C=CCCN(C)C(=O)[C@H](C)O 1626a_100020639649_217856618621 [0,1,0,0,0,0|1,0,2]=4 1504 B10R0.81 C=CCCN(C)C(=O)[C@H](C)O 240690a_100020639649_217856618621 [0,1,0,0,0,0|1,0,2]=4 1505 B10R0.81 CC(C)C(=O)N(C)CCCO 240690a_100000213112_100000210198 [0,1,0,0,0,0|3,0,0]=4 1506 B10R0.81 CC(C)C(=O)N(C)CCCO 527a_100000213112_100000210198 [0,1,0,0,0,0|3,0,0]=4 1507 B10R0.81 CC(F)C(=O)N(C)CCCO 240690a_100000213112_100000062450 [0,1,0,0,0,0|3,0,0]=4 1508 B10R0.81 CC(F)C(=O)N(C)CCCO 527a_100000213112_100000062450 [0,1,0,0,0,0|3,0,0]=4 1509 B10R0.81 CCC/C=C(\C)/C(=O)C(C)C 1458a_200020648666_100000210206 [0,1,0,0,0,0|2,0,1]=4 1510 B10R0.81 CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210211 [0,1,0,0,0,0|3,0,0]=4 1511 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000210198_200011215066 [0,1,0,0,0,0|2,0,0]=3 1512 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000725509_100000210206 [0,1,0,0,0,0|2,0,0]=3 1513 B10R0.81 CCCCC(C)C(=O)C(C)F 1458a_100000062450_200011215066 [0,1,0,0,0,0|2,0,0]=3 1514 B10R0.81 CCCCC(C)C(=O)C(O)O 1458a_100000233687_200011215066 [0,1,0,0,0,0|2,0,0]=3 1515 B10R0.81 CCCCC(C)C(=O)N(C)C 11a_100102631434_100000725509 [0,1,0,0,0,0|3,0,0]=4 1516 B10R0.81 CCCCC(C)C(=O)N(C)C 1626a_100102631434_100000725509 [0,1,0,0,0,0|3,0,0]=4 1517 B10R0.81 CCCCC(C)C(=O)N(C)C 240690a_100102631434_100000725509 [0,1,0,0,0,0|3,0,0]=4 1518 B10R0.81 CCCCC(C)C(=O)N(C)C 527a_100102631434_100000725509 [0,1,0,0,0,0|3,0,0]=4 1519 B10R0.81 CCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011215066 [0,1,0,0,0,0|1,0,0]=2 1520 B10R0.81 CCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011215066 [0,1,0,0,0,0|1,0,0]=2 1521 B10R0.81 CCCCC(O)C(=O)C(C)C 1458a_100000720857_100000210206 [0,1,0,0,0,0|2,0,0]=3 1522 B10R0.81 CCCCC(O)C(=O)N(C)C 240690a_100102631434_100000720857 [0,1,0,0,0,0|3,0,0]=4 1523 B10R0.81 CCCCC(O)C(=O)N(C)C 527a_100102631434_100000720857 [0,1,0,0,0,0|3,0,0]=4 1524 B10R0.81 CCCCN(C)C(=O)C(C)C 11a_100000207549_100000210198 [0,1,0,0,0,0|2,0,0]=3 1525 B10R0.81 CCCCN(C)C(=O)C(C)C 1626a_100000207549_100000210198 [0,1,0,0,0,0|2,0,0]=3 1526 B10R0.81 CCCCN(C)C(=O)C(C)C 240690a_100000207549_100000210198 [0,1,0,0,0,0|2,0,0]=3 1527 B10R0.81 CCCCN(C)C(=O)C(C)C 527a_100000207549_100000210198 [0,1,0,0,0,0|2,0,0]=3 1528 B10R0.81 CCCCN(C)C(=O)C(C)F 11a_100000207549_100000062450 [0,1,0,0,0,0|2,0,0]=3 1529 B10R0.81 CCCCN(C)C(=O)C(C)F 1626a_100000207549_100000062450 [0,1,0,0,0,0|2,0,0]=3 1530 B10R0.81 CCCCN(C)C(=O)C(C)F 240690a_100000207549_100000062450 [0,1,0,0,0,0|2,0,0]=3 1531 B10R0.81 CCCCN(C)C(=O)C(C)F 527a_100000207549_100000062450 [0,1,0,0,0,0|2,0,0]=3 1532 B10R0.81 CCCCN(C)C(=O)C(F)F 11a_100000207549_100000210393 [0,1,0,0,0,0|3,0,0]=4 1533 B10R0.81 CCCCN(C)C(=O)C(F)F 1626a_100000207549_100000210393 [0,1,0,0,0,0|3,0,0]=4 1534 B10R0.81 CCCCN(C)C(=O)C(F)F 240690a_100000207549_100000210393 [0,1,0,0,0,0|3,0,0]=4 1535 B10R0.81 CCCCN(C)C(=O)C(F)F 527a_100000207549_100000210393 [0,1,0,0,0,0|3,0,0]=4 1536 B10R0.81 CCCCN(C)C(=O)C(O)O 240690a_100000207549_100000233687 [0,1,0,0,0,0|2,0,0]=3 1537 B10R0.81 CCCCN(C)C(=O)[C@@H](C)O 240690a_100000207549_100000717761 [0,1,0,0,0,0|1,0,0]=2 1538 B10R0.81 CCCCN(C)C(=O)[C@H](C)O 1626a_100000207549_217856618621 [0,1,0,0,0,0|1,0,0]=2 1539 B10R0.81 CCCCN(C)C(=O)[C@H](C)O 240690a_100000207549_217856618621 [0,1,0,0,0,0|1,0,0]=2 1540 B10R0.81 CCCNC(=O)C(=O)C(C)C 1458a_200011297150_100000210206 [0,1,0,0,0,0|3,0,0]=4 1541 B10R0.81 CCCSC(C)C(=O)C(C)C 62a_100000210303_100009893295 [0,1,0,0,0,0|3,0,0]=4 1542 B10R0.81 CCCSC(C)C(=O)C(C)C 62a_100009893295_100000210303 [0,1,0,0,0,0|3,0,0]=4 1543 B10R0.81 CN(CCCO)C(=O)C(O)O 240690a_100000213112_100000233687 [0,1,0,0,0,0|3,0,0]=4 1544 B10R0.81 COCCN(C)C(=O)C(C)C 11a_100000743101_100000210198 [0,1,0,0,0,0|3,0,0]=4 1545 B10R0.81 COCCN(C)C(=O)C(C)C 1626a_100000743101_100000210198 [0,1,0,0,0,0|3,0,0]=4 1546 B10R0.81 COCCN(C)C(=O)C(C)C 240690a_100000743101_100000210198 [0,1,0,0,0,0|3,0,0]=4 1547 B10R0.81 COCCN(C)C(=O)C(C)C 527a_100000743101_100000210198 [0,1,0,0,0,0|3,0,0]=4 1548 B10R0.81 COCCN(C)C(=O)C(C)F 11a_100000743101_100000062450 [0,1,0,0,0,0|3,0,0]=4 1549 B10R0.81 COCCN(C)C(=O)C(C)F 1626a_100000743101_100000062450 [0,1,0,0,0,0|3,0,0]=4 1550 B10R0.81 COCCN(C)C(=O)C(C)F 240690a_100000743101_100000062450 [0,1,0,0,0,0|3,0,0]=4 1551 B10R0.81 COCCN(C)C(=O)C(C)F 527a_100000743101_100000062450 [0,1,0,0,0,0|3,0,0]=4 1552 B10R0.81 COCCN(C)C(=O)C(O)O 240690a_100000743101_100000233687 [0,1,0,0,0,0|3,0,0]=4 1553 B10R0.81 COCCN(C)C(=O)[C@@H](C)O 240690a_100000743101_100000717761 [0,1,0,0,0,0|2,0,0]=3 1554 B10R0.81 COCCN(C)C(=O)[C@H](C)O 1626a_100000743101_217856618621 [0,1,0,0,0,0|2,0,0]=3 1555 B10R0.81 COCCN(C)C(=O)[C@H](C)O 240690a_100000743101_217856618621 [0,1,0,0,0,0|2,0,0]=3 1556 B10R0.81 CSCCC(O)C(=O)C(C)C 1458a_100000685904_100000210206 [0,1,0,0,0,0|3,0,0]=4 1557 B10R0.81 CSCCN(C)C(=O)C(C)C 11a_100000686725_100000210198 [0,1,0,0,0,0|3,0,0]=4 1558 B10R0.81 CSCCN(C)C(=O)C(C)C 1626a_100000686725_100000210198 [0,1,0,0,0,0|3,0,0]=4 1559 B10R0.81 CSCCN(C)C(=O)C(C)C 240690a_100000686725_100000210198 [0,1,0,0,0,0|3,0,0]=4 1560 B10R0.81 CSCCN(C)C(=O)C(C)C 527a_100000686725_100000210198 [0,1,0,0,0,0|3,0,0]=4 1561 B10R0.81 CSCCN(C)C(=O)C(C)F 11a_100000686725_100000062450 [0,1,0,0,0,0|3,0,0]=4 1562 B10R0.81 CSCCN(C)C(=O)C(C)F 1626a_100000686725_100000062450 [0,1,0,0,0,0|3,0,0]=4 1563 B10R0.81 CSCCN(C)C(=O)C(C)F 240690a_100000686725_100000062450 [0,1,0,0,0,0|3,0,0]=4 1564 B10R0.81 CSCCN(C)C(=O)C(C)F 527a_100000686725_100000062450 [0,1,0,0,0,0|3,0,0]=4 1565 B10R0.81 CSCCN(C)C(=O)C(O)O 240690a_100000686725_100000233687 [0,1,0,0,0,0|3,0,0]=4 1566 B10R0.81 CSCCN(C)C(=O)[C@@H](C)O 240690a_100000686725_100000717761 [0,1,0,0,0,0|2,0,0]=3 1567 B10R0.81 CSCCN(C)C(=O)[C@H](C)O 1626a_100000686725_217856618621 [0,1,0,0,0,0|2,0,0]=3 1568 B10R0.81 CSCCN(C)C(=O)[C@H](C)O 240690a_100000686725_217856618621 [0,1,0,0,0,0|2,0,0]=3 1569 B10R0.81 C[C@@H](O)C(=O)N(C)CCC#N 240690a_100000184479_100000717761 [0,1,0,0,0,0|2,0,1]=4 1570 B10R0.81 C[C@@H](O)C(=O)N(C)CCCO 240690a_100000213112_100000717761 [0,1,0,0,0,0|2,0,0]=3 1571 B10R0.81 C[C@H](O)C(=O)N(C)CCC#N 1626a_100000184479_217856618621 [0,1,0,0,0,0|2,0,1]=4 1572 B10R0.81 C[C@H](O)C(=O)N(C)CCC#N 240690a_100000184479_217856618621 [0,1,0,0,0,0|2,0,1]=4 1573 B10R0.81 C[C@H](O)C(=O)N(C)CCCO 240690a_100000213112_217856618621 [0,1,0,0,0,0|2,0,0]=3 1574 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,1,0,0,0,0|2,0,1]=4 1575 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,1,0,0,0,0|2,0,1]=4 1576 B10R0.82 C=C(C)C(=O)NCC(O)CC 11a_100011218483_100000185857 [0,1,0,0,0,0|2,0,1]=4 1577 B10R0.82 C=C(C)C(=O)OCC(C)OC 7a_100000061822_200000210301 [0,1,0,0,0,0|2,0,1]=4 1578 B10R0.82 C=C(C)C(=O)OCC(C)O[13CH3] 7a_100000061822_200025704644 [0,1,0,0,0,0|2,0,1]=4 1579 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000210198 [0,1,0,0,0,0|3,0,0]=4 1580 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 527a_100015665980_100000210198 [0,1,0,0,0,0|3,0,0]=4 1581 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000210198 [0,1,0,0,0,0|3,0,0]=4 1582 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000210198 [0,1,0,0,0,0|3,0,0]=4 1583 B10R0.82 CC(C)C(=O)OCC(=O)CO 1458a_100000210174_100000139345 [0,1,0,0,0,0|2,0,1]=4 1584 B10R0.82 CC(CO)CNC(=O)C(C)C 240690a_100000744482_100000210198 [0,1,0,0,0,0|3,0,0]=4 1585 B10R0.82 CC(CO)CNC(=O)C(C)C 527a_100000744482_100000210198 [0,1,0,0,0,0|3,0,0]=4 1586 B10R0.82 CC(CO)CNC(=O)C(C)F 240690a_100000744482_100000062450 [0,1,0,0,0,0|3,0,0]=4 1587 B10R0.82 CC(CO)CNC(=O)C(C)F 527a_100000744482_100000062450 [0,1,0,0,0,0|3,0,0]=4 1588 B10R0.82 CC(CO)CNC(=O)C(O)O 240690a_100000744482_100000233687 [0,1,0,0,0,0|3,0,0]=4 1589 B10R0.82 CC(CO)CNC(=O)[C@@H](C)O 240690a_100000744482_100000717761 [0,1,0,0,0,0|2,0,0]=3 1590 B10R0.82 CC(CO)CNC(=O)[C@H](C)O 240690a_100000744482_217856618621 [0,1,0,0,0,0|2,0,0]=3 1591 B10R0.82 CC(F)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000062450 [0,1,0,0,0,0|3,0,0]=4 1592 B10R0.82 CC(F)C(=O)NC[C@@H](F)CO 527a_100015665980_100000062450 [0,1,0,0,0,0|3,0,0]=4 1593 B10R0.82 CC(F)C(=O)NC[C@H](O)CO 240690a_100020644852_100000062450 [0,1,0,0,0,0|3,0,0]=4 1594 B10R0.82 CC(F)C(=O)NC[C@H](O)CO 527a_100020644852_100000062450 [0,1,0,0,0,0|3,0,0]=4 1595 B10R0.82 CCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210202 [0,1,0,0,0,0|2,0,1]=4 1596 B10R0.82 CCC(=O)COC(=O)C(C)C 1458a_100000210414_100000139345 [0,1,0,0,0,0|1,0,1]=3 1597 B10R0.82 CCC(=O)NNC(=O)[C@@H](C)O 22a_100000183195_100000717761 [0,1,0,0,0,0|2,0,1]=4 1598 B10R0.82 CCC(=O)NNC(=O)[C@H](C)O 22a_100000183195_217856618621 [0,1,0,0,0,0|2,0,1]=4 1599 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,1,0,0,0,0|2,0,0]=3 1600 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,1,0,0,0,0|3,0,0]=4 1601 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,1,0,0,0,0|3,0,0]=4 1602 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,1,0,0,0,0|3,0,0]=4 1603 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,1,0,0,0,0|3,0,0]=4 1604 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [0,1,0,0,0,0|2,0,0]=3 1605 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [0,1,0,0,0,0|2,0,0]=3 1606 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [0,1,0,0,0,0|2,0,0]=3 1607 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [0,1,0,0,0,0|2,0,0]=3 1608 B10R0.82 CCC(C)CNC(=O)C(C)F 11a_100020588543_100000062450 [0,1,0,0,0,0|2,0,0]=3 1609 B10R0.82 CCC(C)CNC(=O)C(C)F 1626a_100020588543_100000062450 [0,1,0,0,0,0|2,0,0]=3 1610 B10R0.82 CCC(C)CNC(=O)C(C)F 240690a_100020588543_100000062450 [0,1,0,0,0,0|2,0,0]=3 1611 B10R0.82 CCC(C)CNC(=O)C(C)F 527a_100020588543_100000062450 [0,1,0,0,0,0|2,0,0]=3 1612 B10R0.82 CCC(C)CNC(=O)C(F)F 11a_100020588543_100000210393 [0,1,0,0,0,0|3,0,0]=4 1613 B10R0.82 CCC(C)CNC(=O)C(F)F 1626a_100020588543_100000210393 [0,1,0,0,0,0|3,0,0]=4 1614 B10R0.82 CCC(C)CNC(=O)C(F)F 240690a_100020588543_100000210393 [0,1,0,0,0,0|3,0,0]=4 1615 B10R0.82 CCC(C)CNC(=O)C(F)F 527a_100020588543_100000210393 [0,1,0,0,0,0|3,0,0]=4 1616 B10R0.82 CCC(C)CNC(=O)C(O)O 240690a_100020588543_100000233687 [0,1,0,0,0,0|2,0,0]=3 1617 B10R0.82 CCC(C)CNC(=O)N(C)C 2708a_100020588543_100102631434 [0,1,0,0,0,0|3,0,0]=4 1618 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,1,0,0,0,0|1,0,0]=2 1619 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,1,0,0,0,0|1,0,0]=2 1620 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,1,0,0,0,0|1,0,0]=2 1621 B10R0.82 CCC(C)COC(C)C(C)C 7a_100000748068_100000748023 [0,1,0,0,0,0|2,0,1]=4 1622 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [0,1,0,0,0,0|3,0,0]=4 1623 B10R0.82 CCC(C)NN=C(C)C(C)O 4a_100000718999_100000212229 [0,1,0,0,0,0|3,0,0]=4 1624 B10R0.82 CCC(C)NNC(=O)C(C)C 22a_100000718999_100000210198 [0,1,0,0,0,0|3,0,0]=4 1625 B10R0.82 CCC(C)NNC(=O)C(C)F 22a_100000718999_100000062450 [0,1,0,0,0,0|3,0,0]=4 1626 B10R0.82 CCC(C)NNC(=O)C(O)O 22a_100000718999_100000233687 [0,1,0,0,0,0|3,0,0]=4 1627 B10R0.82 CCC(C)NNC(=O)[C@@H](C)O 22a_100000718999_100000717761 [0,1,0,0,0,0|2,0,0]=3 1628 B10R0.82 CCC(C)NNC(=O)[C@H](C)O 22a_100000718999_217856618621 [0,1,0,0,0,0|2,0,0]=3 1629 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [0,1,0,0,0,0|3,0,0]=4 1630 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000753385_100000758301 [0,1,0,0,0,0|3,0,0]=4 1631 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000758301_100000753385 [0,1,0,0,0,0|3,0,0]=4 1632 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,1,0,0,0,0|3,0,0]=4 1633 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,1,0,0,0,0|3,0,0]=4 1634 B10R0.82 CCC(O)CNC(=O)C(C)C 11a_100011218483_100000210198 [0,1,0,0,0,0|2,0,0]=3 1635 B10R0.82 CCC(O)CNC(=O)C(C)C 240690a_100011218483_100000210198 [0,1,0,0,0,0|2,0,0]=3 1636 B10R0.82 CCC(O)CNC(=O)C(C)C 527a_100011218483_100000210198 [0,1,0,0,0,0|2,0,0]=3 1637 B10R0.82 CCC(O)CNC(=O)C(C)F 11a_100011218483_100000062450 [0,1,0,0,0,0|2,0,0]=3 1638 B10R0.82 CCC(O)CNC(=O)C(C)F 240690a_100011218483_100000062450 [0,1,0,0,0,0|2,0,0]=3 1639 B10R0.82 CCC(O)CNC(=O)C(C)F 527a_100011218483_100000062450 [0,1,0,0,0,0|2,0,0]=3 1640 B10R0.82 CCC(O)CNC(=O)C(F)F 11a_100011218483_100000210393 [0,1,0,0,0,0|3,0,0]=4 1641 B10R0.82 CCC(O)CNC(=O)C(F)F 240690a_100011218483_100000210393 [0,1,0,0,0,0|3,0,0]=4 1642 B10R0.82 CCC(O)CNC(=O)C(F)F 527a_100011218483_100000210393 [0,1,0,0,0,0|3,0,0]=4 1643 B10R0.82 CCC(O)CNC(=O)C(O)O 240690a_100011218483_100000233687 [0,1,0,0,0,0|2,0,0]=3 1644 B10R0.82 CCC(O)CNC(=O)[C@@H](C)O 240690a_100011218483_100000717761 [0,1,0,0,0,0|1,0,0]=2 1645 B10R0.82 CCC(O)CNC(=O)[C@H](C)O 240690a_100011218483_217856618621 [0,1,0,0,0,0|1,0,0]=2 1646 B10R0.82 CCC(O)COC(C)C(C)C 7a_100000748068_100011218378 [0,1,0,0,0,0|2,0,1]=4 1647 B10R0.82 CCN(C)CCC(=O)C(C)C 1458a_100000755305_100000210206 [0,1,0,0,0,0|3,0,0]=4 1648 B10R0.82 CCS(=O)CCC(=O)C(C)C 1458a_100011387550_100000210206 [0,1,0,0,0,0|3,0,0]=4 1649 B10R0.82 CC[C@H](C)COC(C)C(C)C 7a_100000748068_100009816398 [0,1,0,0,0,0|2,0,1]=4 1650 B10R0.82 CNC(=O)CNC(=O)[C@@H](C)O 240690a_100000693194_100000717761 [0,1,0,0,0,0|2,0,1]=4 1651 B10R0.82 CNC(=O)CNC(=O)[C@H](C)O 240690a_100000693194_217856618621 [0,1,0,0,0,0|2,0,1]=4 1652 B10R0.82 COC(=O)CNC(=O)[C@@H](C)O 188690a_100000185156_100000717761 [0,1,0,0,0,0|2,0,1]=4 1653 B10R0.82 COC(=O)CNC(=O)[C@H](C)O 188690a_100000185156_217856618621 [0,1,0,0,0,0|2,0,1]=4 1654 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 11a_100020591295_100000210198 [0,1,0,0,0,0|3,0,0]=4 1655 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 1626a_100020591295_100000210198 [0,1,0,0,0,0|3,0,0]=4 1656 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 240690a_100020591295_100000210198 [0,1,0,0,0,0|3,0,0]=4 1657 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 527a_100020591295_100000210198 [0,1,0,0,0,0|3,0,0]=4 1658 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 11a_100020591295_100000062450 [0,1,0,0,0,0|3,0,0]=4 1659 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 1626a_100020591295_100000062450 [0,1,0,0,0,0|3,0,0]=4 1660 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 240690a_100020591295_100000062450 [0,1,0,0,0,0|3,0,0]=4 1661 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 527a_100020591295_100000062450 [0,1,0,0,0,0|3,0,0]=4 1662 B10R0.82 CO[C@H](C)CNC(=O)C(O)O 240690a_100020591295_100000233687 [0,1,0,0,0,0|3,0,0]=4 1663 B10R0.82 CO[C@H](C)CNC(=O)[C@@H](C)O 240690a_100020591295_100000717761 [0,1,0,0,0,0|2,0,0]=3 1664 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 1626a_100020591295_217856618621 [0,1,0,0,0,0|2,0,0]=3 1665 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 240690a_100020591295_217856618621 [0,1,0,0,0,0|2,0,0]=3 1666 B10R0.82 C[C@@H](O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000717761 [0,1,0,0,0,0|2,0,0]=3 1667 B10R0.82 C[C@@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000717761 [0,1,0,0,0,0|2,0,0]=3 1668 B10R0.82 C[C@H](O)C(=O)NC[C@@H](F)CO 240690a_100015665980_217856618621 [0,1,0,0,0,0|2,0,0]=3 1669 B10R0.82 C[C@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_217856618621 [0,1,0,0,0,0|2,0,0]=3 1670 B10R0.82 O=C(NC[C@@H](F)CO)C(O)O 240690a_100015665980_100000233687 [0,1,0,0,0,0|3,0,0]=4 1671 B10R0.82 O=C(NC[C@H](O)CO)C(O)O 240690a_100020644852_100000233687 [0,1,0,0,0,0|3,0,0]=4 1672 B10R0.83 C#CC(C)C(=O)C#CCCC 1458a_200011218047_200000035995 [0,1,0,0,0,0|2,0,1]=4 1673 B10R0.83 C#CC(C)C(=O)C=CCCC 1458a_100000212230_200000035995 [0,1,0,0,0,0|2,0,1]=4 1674 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,1,0,0,0,0|2,0,0]=3 1675 B10R0.83 C#CC(C)C(=O)CCCCO 1458a_100000695505_200000035995 [0,1,0,0,0,0|3,0,0]=4 1676 B10R0.83 C#CC(C)C(=O)CCCOC 1458a_100000741012_200000035995 [0,1,0,0,0,0|3,0,0]=4 1677 B10R0.83 C#CC(C)C(=O)CCCSC 1458a_100000173376_200000035995 [0,1,0,0,0,0|3,0,0]=4 1678 B10R0.83 C#CC(C)C(=O)CCOCC 1458a_100000749530_200000035995 [0,1,0,0,0,0|3,0,0]=4 1679 B10R0.83 C#CC(C)C(=O)CCSCC 1458a_100000230768_200000035995 [0,1,0,0,0,0|3,0,0]=4 1680 B10R0.83 C#CC(C)C(=O)COCCC 1458a_100000745993_200000035995 [0,1,0,0,0,0|3,0,0]=4 1681 B10R0.83 C#CC(C)C(=O)CSCCC 1458a_100000217233_200000035995 [0,1,0,0,0,0|3,0,0]=4 1682 B10R0.83 C#CCCCC(=O)C(C)OC 1458a_100000743197_100000731252 [0,1,0,0,0,0|1,0,2]=4 1683 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [0,1,0,0,0,0|1,0,2]=4 1684 B10R0.83 C#CCCCC(=O)C(O)CO 1458a_100011215603_100000731252 [0,1,0,0,0,0|1,0,2]=4 1685 B10R0.83 C#CCCNC(=O)C(C)OC 11a_100000755551_100000743197 [0,1,0,0,0,0|1,0,2]=4 1686 B10R0.83 C#CCCNC(=O)C(C)OC 1626a_100000755551_100000743197 [0,1,0,0,0,0|1,0,2]=4 1687 B10R0.83 C#CCCNC(=O)C(C)OC 240690a_100000755551_100000743197 [0,1,0,0,0,0|1,0,2]=4 1688 B10R0.83 C#CCCNC(=O)C(C)OC 527a_100000755551_100000743197 [0,1,0,0,0,0|1,0,2]=4 1689 B10R0.83 C#CCCNC(=O)C(O)CC 240690a_100000755551_100011196387 [0,1,0,0,0,0|1,0,2]=4 1690 B10R0.83 C#CCCNC(=O)C(O)CO 240690a_100000755551_100011215603 [0,1,0,0,0,0|1,0,2]=4 1691 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,1,0,0,0,0|2,0,1]=4 1692 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [0,1,0,0,0,0|2,0,1]=4 1693 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [0,1,0,0,0,0|2,0,1]=4 1694 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,1,0,0,0,0|2,0,0]=3 1695 B10R0.83 C=CC(C)C(=O)CCCCF 1458a_100011216780_100000729493 [0,1,0,0,0,0|3,0,0]=4 1696 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [0,1,0,0,0,0|3,0,0]=4 1697 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,1,0,0,0,0|3,0,0]=4 1698 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [0,1,0,0,0,0|3,0,0]=4 1699 B10R0.83 C=CC(C)C(=O)CCSCC 1458a_100011216780_100000757381 [0,1,0,0,0,0|3,0,0]=4 1700 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [0,1,0,0,0,0|2,0,0]=3 1701 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [0,1,0,0,0,0|2,0,0]=3 1702 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [0,1,0,0,0,0|2,0,0]=3 1703 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [0,1,0,0,0,0|2,0,0]=3 1704 B10R0.83 C=CC(C)C(=O)NCCCF 11a_100015189416_100011216780 [0,1,0,0,0,0|3,0,0]=4 1705 B10R0.83 C=CC(C)C(=O)NCCCF 1626a_100015189416_100011216780 [0,1,0,0,0,0|3,0,0]=4 1706 B10R0.83 C=CC(C)C(=O)NCCCF 240690a_100015189416_100011216780 [0,1,0,0,0,0|3,0,0]=4 1707 B10R0.83 C=CC(C)C(=O)NCCCF 527a_100015189416_100011216780 [0,1,0,0,0,0|3,0,0]=4 1708 B10R0.83 C=CC(C)C(=O)NCCCO 240690a_100000182051_100011216780 [0,1,0,0,0,0|3,0,0]=4 1709 B10R0.83 C=CC(C)C(=O)NCCCO 527a_100000182051_100011216780 [0,1,0,0,0,0|3,0,0]=4 1710 B10R0.83 C=CC(C)C(=O)NCCOC 1626a_100000209980_100011216780 [0,1,0,0,0,0|3,0,0]=4 1711 B10R0.83 C=CC(C)C(=O)NCCOC 240690a_100000209980_100011216780 [0,1,0,0,0,0|3,0,0]=4 1712 B10R0.83 C=CC(C)C(=O)NCCOC 527a_100000209980_100011216780 [0,1,0,0,0,0|3,0,0]=4 1713 B10R0.83 C=CC(C)C(=O)NCCSC 11a_100020590264_100011216780 [0,1,0,0,0,0|3,0,0]=4 1714 B10R0.83 C=CC(C)C(=O)NCCSC 1626a_100020590264_100011216780 [0,1,0,0,0,0|3,0,0]=4 1715 B10R0.83 C=CC(C)C(=O)NCCSC 240690a_100020590264_100011216780 [0,1,0,0,0,0|3,0,0]=4 1716 B10R0.83 C=CC(C)C(=O)NCCSC 527a_100020590264_100011216780 [0,1,0,0,0,0|3,0,0]=4 1717 B10R0.83 C=CC(C)C(=O)NNCCC 22a_100000740057_100011216780 [0,1,0,0,0,0|3,0,0]=4 1718 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [0,1,0,0,0,0|1,0,2]=4 1719 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,1,0,0,0,0|1,0,2]=4 1720 B10R0.83 C=CCCCC(=O)C(O)CO 1458a_100011215603_100000757094 [0,1,0,0,0,0|1,0,2]=4 1721 B10R0.83 C=CCCNC(=O)C(C)OC 11a_100015191253_100000743197 [0,1,0,0,0,0|1,0,2]=4 1722 B10R0.83 C=CCCNC(=O)C(C)OC 1626a_100015191253_100000743197 [0,1,0,0,0,0|1,0,2]=4 1723 B10R0.83 C=CCCNC(=O)C(C)OC 240690a_100015191253_100000743197 [0,1,0,0,0,0|1,0,2]=4 1724 B10R0.83 C=CCCNC(=O)C(C)OC 527a_100015191253_100000743197 [0,1,0,0,0,0|1,0,2]=4 1725 B10R0.83 C=CCCNC(=O)C(O)CC 240690a_100015191253_100011196387 [0,1,0,0,0,0|1,0,2]=4 1726 B10R0.83 C=CCCNC(=O)C(O)CO 240690a_100015191253_100011215603 [0,1,0,0,0,0|1,0,2]=4 1727 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 34a_100015455354_100000210210 [0,1,0,0,0,0|2,0,1]=4 1728 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 7a_100015455354_100000210211 [0,1,0,0,0,0|2,0,1]=4 1729 B10R0.83 CC#CCNC(=O)C(C)OC 11a_100000685387_100000743197 [0,1,0,0,0,0|1,0,2]=4 1730 B10R0.83 CC#CCNC(=O)C(C)OC 1626a_100000685387_100000743197 [0,1,0,0,0,0|1,0,2]=4 1731 B10R0.83 CC#CCNC(=O)C(C)OC 527a_100000685387_100000743197 [0,1,0,0,0,0|1,0,2]=4 1732 B10R0.83 CC(C#N)C(=O)CCCCF 1458a_100000753662_100000729493 [0,1,0,0,0,0|3,0,0]=4 1733 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000695505_100000703298 [0,1,0,0,0,0|3,0,0]=4 1734 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000753662_100000210776 [0,1,0,0,0,0|3,0,0]=4 1735 B10R0.83 CC(C#N)C(=O)NCCCF 11a_100015189416_100000753662 [0,1,0,0,0,0|3,0,0]=4 1736 B10R0.83 CC(C#N)C(=O)NCCCF 1626a_100015189416_100000753662 [0,1,0,0,0,0|3,0,0]=4 1737 B10R0.83 CC(C#N)C(=O)NCCCF 240690a_100015189416_100000753662 [0,1,0,0,0,0|3,0,0]=4 1738 B10R0.83 CC(C#N)C(=O)NCCCF 527a_100015189416_100000753662 [0,1,0,0,0,0|3,0,0]=4 1739 B10R0.83 CC(C#N)C(=O)NCCCO 240690a_100000182051_100000753662 [0,1,0,0,0,0|3,0,0]=4 1740 B10R0.83 CC(C#N)C(=O)NCCCO 527a_100000182051_100000753662 [0,1,0,0,0,0|3,0,0]=4 1741 B10R0.83 CC/C=C\CC(=O)C(C)OC 1458a_100000743197_100103147603 [0,1,0,0,0,0|1,0,2]=4 1742 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,1,0,0,0,0|1,0,2]=4 1743 B10R0.83 CC/C=C\CC(=O)C(O)CO 1458a_100011215603_100103147603 [0,1,0,0,0,0|1,0,2]=4 1744 B10R0.83 CCC#CCC(=O)C(C)OC 1458a_100000743197_100009813939 [0,1,0,0,0,0|1,0,2]=4 1745 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [0,1,0,0,0,0|1,0,2]=4 1746 B10R0.83 CCC#CCC(=O)C(O)CO 1458a_100011215603_100009813939 [0,1,0,0,0,0|1,0,2]=4 1747 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,1,0,0,0,0|3,0,0]=4 1748 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,1,0,0,0,0|3,0,0]=4 1749 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,1,0,0,0,0|3,0,0]=4 1750 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,1,0,0,0,0|3,0,0]=4 1751 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,1,0,0,0,0|3,0,0]=4 1752 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,1,0,0,0,0|3,0,0]=4 1753 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [0,1,0,0,0,0|3,0,0]=4 1754 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [0,1,0,0,0,0|3,0,0]=4 1755 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [0,1,0,0,0,0|3,0,0]=4 1756 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [0,1,0,0,0,0|3,0,0]=4 1757 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [0,1,0,0,0,0|3,0,0]=4 1758 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [0,1,0,0,0,0|3,0,0]=4 1759 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [0,1,0,0,0,0|3,0,0]=4 1760 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [0,1,0,0,0,0|3,0,0]=4 1761 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [0,1,0,0,0,0|3,0,0]=4 1762 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,1,0,0,0,0|3,0,0]=4 1763 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,1,0,0,0,0|3,0,0]=4 1764 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,1,0,0,0,0|3,0,0]=4 1765 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,1,0,0,0,0|3,0,0]=4 1766 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [0,1,0,0,0,0|2,0,1]=4 1767 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,1,0,0,0,0|2,0,0]=3 1768 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,1,0,0,0,0|2,0,0]=3 1769 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,1,0,0,0,0|2,0,0]=3 1770 B10R0.83 CCC(O)C(=O)NCCC#N 240690a_100000720768_100011196387 [0,1,0,0,0,0|2,0,1]=4 1771 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [0,1,0,0,0,0|2,0,0]=3 1772 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,1,0,0,0,0|2,0,0]=3 1773 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,1,0,0,0,0|2,0,0]=3 1774 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,1,0,0,0,0|2,0,0]=3 1775 B10R0.83 CCC(O)C(=O)NNCCO 22a_100000210001_100011196387 [0,1,0,0,0,0|3,0,0]=4 1776 B10R0.83 CCC=NNC(=O)C(C)OC 4a_100000243824_100000210100 [0,1,0,0,0,0|2,0,1]=4 1777 B10R0.83 CCCC#CC(=O)C(C)C#N 1458a_200011218047_100000703298 [0,1,0,0,0,0|2,0,1]=4 1778 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [0,1,0,0,0,0|2,0,1]=4 1779 B10R0.83 CCCC=CC(=O)C(C)C#N 1458a_100000212230_100000703298 [0,1,0,0,0,0|2,0,1]=4 1780 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,1,0,0,0,0|2,0,1]=4 1781 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,1,0,0,0,0|1,0,2]=4 1782 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,1,0,0,0,0|2,0,0]=3 1783 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,1,0,0,0,0|2,0,0]=3 1784 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,1,0,0,0,0|2,0,0]=3 1785 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,1,0,0,0,0|2,0,0]=3 1786 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,1,0,0,0,0|1,0,0]=2 1787 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,1,0,0,0,0|1,1,0]=3 1788 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,1,0,0,0,0|1,0,0]=2 1789 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,1,0,0,0,0|1,0,0]=2 1790 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,1,0,0,0,0|3,0,0]=4 1791 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,1,0,0,0,0|3,0,0]=4 1792 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,1,0,0,0,0|3,0,0]=4 1793 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,1,0,0,0,0|3,0,0]=4 1794 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [0,1,0,0,0,0|3,0,0]=4 1795 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [0,1,0,0,0,0|3,0,0]=4 1796 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [0,1,0,0,0,0|3,0,0]=4 1797 B10R0.83 CCCCCN(C)C(C)OC 269982a_100000223495_100009879195 [0,1,0,0,0,0|3,0,0]=4 1798 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [0,1,0,0,0,0|3,0,0]=4 1799 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,1,0,0,0,0|1,0,2]=4 1800 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,1,0,0,0,0|1,0,2]=4 1801 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,1,0,0,0,0|1,0,2]=4 1802 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,1,0,0,0,0|1,0,2]=4 1803 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,1,0,0,0,0|1,0,2]=4 1804 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,1,0,0,0,0|1,0,2]=4 1805 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,1,0,0,0,0|1,0,2]=4 1806 B10R0.83 CCCCNC(=O)C(C)C#N 11a_100000102301_100000753662 [0,1,0,0,0,0|2,0,0]=3 1807 B10R0.83 CCCCNC(=O)C(C)C#N 1626a_100000102301_100000753662 [0,1,0,0,0,0|2,0,0]=3 1808 B10R0.83 CCCCNC(=O)C(C)C#N 240690a_100000102301_100000753662 [0,1,0,0,0,0|2,0,0]=3 1809 B10R0.83 CCCCNC(=O)C(C)C#N 527a_100000102301_100000753662 [0,1,0,0,0,0|2,0,0]=3 1810 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,1,0,0,0,0|2,0,0]=3 1811 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,1,0,0,0,0|2,0,0]=3 1812 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,1,0,0,0,0|2,0,0]=3 1813 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,1,0,0,0,0|2,0,0]=3 1814 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,1,0,0,0,0|2,0,0]=3 1815 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,1,0,0,0,0|2,0,0]=3 1816 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,1,0,0,0,0|2,0,0]=3 1817 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,1,0,0,0,0|1,0,0]=2 1818 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,1,0,0,0,0|1,0,0]=2 1819 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,1,0,0,0,0|1,0,0]=2 1820 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,1,0,0,0,0|1,0,0]=2 1821 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,1,0,0,0,0|1,0,0]=2 1822 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,1,0,0,0,0|1,1,0]=3 1823 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,1,0,0,0,0|1,1,0]=3 1824 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,1,0,0,0,0|1,1,0]=3 1825 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,1,0,0,0,0|1,1,0]=3 1826 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,1,0,0,0,0|1,1,0]=3 1827 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,1,0,0,0,0|1,1,0]=3 1828 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,1,0,0,0,0|1,1,0]=3 1829 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,1,0,0,0,0|1,1,0]=3 1830 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,1,0,0,0,0|1,0,0]=2 1831 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,1,0,0,0,0|1,0,0]=2 1832 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,1,0,0,0,0|3,0,0]=4 1833 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,1,0,0,0,0|3,0,0]=4 1834 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,1,0,0,0,0|1,0,0]=2 1835 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,1,0,0,0,0|1,0,0]=2 1836 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,1,0,0,0,0|1,0,0]=2 1837 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,1,0,0,0,0|0,0,0]=1 1838 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,1,0,0,0,0|0,0,0]=1 1839 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,1,0,0,0,0|0,0,0]=1 1840 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,1,0,0,0,0|0,0,0]=1 1841 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,1,0,0,0,0|0,0,0]=1 1842 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,1,0,0,0,0|0,1,0]=2 1843 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,1,0,0,0,0|0,1,0]=2 1844 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,1,0,0,0,0|0,1,0]=2 1845 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,1,0,0,0,0|0,1,0]=2 1846 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,1,0,0,0,0|2,0,1]=4 1847 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,1,0,0,0,0|3,0,0]=4 1848 B10R0.83 CCCNN=C(C)C(C)CO 4a_100000740057_100000032740 [0,1,0,0,0,0|3,0,0]=4 1849 B10R0.83 CCCNNC(=O)C(C)C#N 22a_100000740057_100000753662 [0,1,0,0,0,0|3,0,0]=4 1850 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [0,1,0,0,0,0|3,0,0]=4 1851 B10R0.83 CCCNNC(=O)C(C)OC 22a_100000740057_100000743197 [0,1,0,0,0,0|2,0,0]=3 1852 B10R0.83 CCCNNC(=O)C(C)SC 22a_100000740057_100000149566 [0,1,0,0,0,0|2,1,0]=4 1853 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [0,1,0,0,0,0|2,0,0]=3 1854 B10R0.83 CCCNNC(=O)C(O)CO 22a_100000740057_100011215603 [0,1,0,0,0,0|2,0,0]=3 1855 B10R0.83 CCCOCC(=O)C(C)C#N 1458a_100000745993_100000703298 [0,1,0,0,0,0|3,0,0]=4 1856 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,1,0,0,0,0|3,0,0]=4 1857 B10R0.83 CCCSCC(=O)C(C)C#N 1458a_100000217233_100000703298 [0,1,0,0,0,0|3,0,0]=4 1858 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,1,0,0,0,0|3,0,0]=4 1859 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000210303_100000764215 [0,1,0,0,0,0|3,0,0]=4 1860 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000764215_100000210303 [0,1,0,0,0,0|3,0,0]=4 1861 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000749530_100000703298 [0,1,0,0,0,0|3,0,0]=4 1862 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000753662_100011215890 [0,1,0,0,0,0|3,0,0]=4 1863 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,1,0,0,0,0|3,0,0]=4 1864 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,1,0,0,0,0|3,0,0]=4 1865 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,1,0,0,0,0|2,0,0]=3 1866 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [0,1,0,0,0,0|2,1,0]=4 1867 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,1,0,0,0,0|2,0,0]=3 1868 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,1,0,0,0,0|2,0,0]=3 1869 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000230768_100000703298 [0,1,0,0,0,0|3,0,0]=4 1870 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000753662_100000757381 [0,1,0,0,0,0|3,0,0]=4 1871 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,1,0,0,0,0|3,0,0]=4 1872 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,1,0,0,0,0|3,0,0]=4 1873 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,1,0,0,0,0|2,0,0]=3 1874 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,1,0,0,0,0|2,1,0]=4 1875 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,1,0,0,0,0|2,0,0]=3 1876 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,1,0,0,0,0|2,0,0]=3 1877 B10R0.83 CNC(C)C(=O)NCCOC 2230a_106832991635_100000230274 [0,1,0,0,0,0|3,0,0]=4 1878 B10R0.83 CNC(C)C(=O)NCCOC 7a_106832991635_100000230274 [0,1,0,0,0,0|3,0,0]=4 1879 B10R0.83 CNCCCC(=O)N(C)OC 7a_106832991635_100011842776 [0,1,0,0,0,0|3,0,0]=4 1880 B10R0.83 COC(C)C(=O)CCCC#N 1458a_100000743197_100000211468 [0,1,0,0,0,0|2,0,1]=4 1881 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,1,0,0,0,0|2,0,0]=3 1882 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,1,0,0,0,0|2,0,0]=3 1883 B10R0.83 COC(C)C(=O)NCCC#N 11a_100000720768_100000743197 [0,1,0,0,0,0|2,0,1]=4 1884 B10R0.83 COC(C)C(=O)NCCC#N 1626a_100000720768_100000743197 [0,1,0,0,0,0|2,0,1]=4 1885 B10R0.83 COC(C)C(=O)NCCC#N 240690a_100000720768_100000743197 [0,1,0,0,0,0|2,0,1]=4 1886 B10R0.83 COC(C)C(=O)NCCC#N 527a_100000720768_100000743197 [0,1,0,0,0,0|2,0,1]=4 1887 B10R0.83 COC(C)C(=O)NCCCF 11a_100015189416_100000743197 [0,1,0,0,0,0|2,0,0]=3 1888 B10R0.83 COC(C)C(=O)NCCCF 1626a_100015189416_100000743197 [0,1,0,0,0,0|2,0,0]=3 1889 B10R0.83 COC(C)C(=O)NCCCF 240690a_100015189416_100000743197 [0,1,0,0,0,0|2,0,0]=3 1890 B10R0.83 COC(C)C(=O)NCCCF 527a_100015189416_100000743197 [0,1,0,0,0,0|2,0,0]=3 1891 B10R0.83 COC(C)C(=O)NCCCO 240690a_100000182051_100000743197 [0,1,0,0,0,0|2,0,0]=3 1892 B10R0.83 COC(C)C(=O)NCCCO 527a_100000182051_100000743197 [0,1,0,0,0,0|2,0,0]=3 1893 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,1,0,0,0,0|2,0,0]=3 1894 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,1,0,0,0,0|2,0,0]=3 1895 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,1,0,0,0,0|2,0,0]=3 1896 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,1,0,0,0,0|2,0,0]=3 1897 B10R0.83 COC(C)C(=O)NNCCO 22a_100000210001_100000743197 [0,1,0,0,0,0|3,0,0]=4 1898 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000741012_100000703298 [0,1,0,0,0,0|3,0,0]=4 1899 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000753662_100000740836 [0,1,0,0,0,0|3,0,0]=4 1900 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,1,0,0,0,0|2,0,0]=3 1901 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,1,0,0,0,0|2,1,0]=4 1902 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,1,0,0,0,0|2,0,0]=3 1903 B10R0.83 COCCNC(=O)C(C)C#N 1626a_100000209980_100000753662 [0,1,0,0,0,0|3,0,0]=4 1904 B10R0.83 COCCNC(=O)C(C)C#N 240690a_100000209980_100000753662 [0,1,0,0,0,0|3,0,0]=4 1905 B10R0.83 COCCNC(=O)C(C)C#N 527a_100000209980_100000753662 [0,1,0,0,0,0|3,0,0]=4 1906 B10R0.83 COCCNC(=O)C(C)OC 1626a_100000209980_100000743197 [0,1,0,0,0,0|2,0,0]=3 1907 B10R0.83 COCCNC(=O)C(C)OC 240690a_100000209980_100000743197 [0,1,0,0,0,0|2,0,0]=3 1908 B10R0.83 COCCNC(=O)C(C)OC 527a_100000209980_100000743197 [0,1,0,0,0,0|2,0,0]=3 1909 B10R0.83 COCCNC(=O)C(C)SC 1626a_100000209980_100000149566 [0,1,0,0,0,0|2,1,0]=4 1910 B10R0.83 COCCNC(=O)C(C)SC 240690a_100000209980_100000149566 [0,1,0,0,0,0|2,1,0]=4 1911 B10R0.83 COCCNC(=O)C(C)SC 527a_100000209980_100000149566 [0,1,0,0,0,0|2,1,0]=4 1912 B10R0.83 COCCNC(=O)C(C)SC 62a_100000230274_200000210301 [0,1,0,0,0,0|2,1,0]=4 1913 B10R0.83 COCCNC(=O)C(C)SC 62a_200000210301_100000230274 [0,1,0,0,0,0|2,1,0]=4 1914 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_100000230274_200025704644 [0,1,0,0,0,0|2,1,0]=4 1915 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230274 [0,1,0,0,0,0|2,1,0]=4 1916 B10R0.83 COCCNC(=O)C(O)CO 240690a_100000209980_100011215603 [0,1,0,0,0,0|2,0,0]=3 1917 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,1,0,0,0,0|3,0,0]=4 1918 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,1,0,0,0,0|3,0,0]=4 1919 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,1,0,0,0,0|3,0,0]=4 1920 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,1,0,0,0,0|3,0,0]=4 1921 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [0,1,0,0,0,0|2,1,0]=4 1922 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,1,0,0,0,0|2,1,0]=4 1923 B10R0.83 CSC(C)C(=O)NCCCF 11a_100015189416_100000149566 [0,1,0,0,0,0|2,1,0]=4 1924 B10R0.83 CSC(C)C(=O)NCCCF 1626a_100015189416_100000149566 [0,1,0,0,0,0|2,1,0]=4 1925 B10R0.83 CSC(C)C(=O)NCCCF 240690a_100015189416_100000149566 [0,1,0,0,0,0|2,1,0]=4 1926 B10R0.83 CSC(C)C(=O)NCCCF 527a_100015189416_100000149566 [0,1,0,0,0,0|2,1,0]=4 1927 B10R0.83 CSC(C)C(=O)NCCCO 240690a_100000182051_100000149566 [0,1,0,0,0,0|2,1,0]=4 1928 B10R0.83 CSC(C)C(=O)NCCCO 527a_100000182051_100000149566 [0,1,0,0,0,0|2,1,0]=4 1929 B10R0.83 CSCCCC(=O)C(C)C#N 1458a_100000173376_100000703298 [0,1,0,0,0,0|3,0,0]=4 1930 B10R0.83 CSCCNC(=O)C(C)C#N 11a_100020590264_100000753662 [0,1,0,0,0,0|3,0,0]=4 1931 B10R0.83 CSCCNC(=O)C(C)C#N 1626a_100020590264_100000753662 [0,1,0,0,0,0|3,0,0]=4 1932 B10R0.83 CSCCNC(=O)C(C)C#N 240690a_100020590264_100000753662 [0,1,0,0,0,0|3,0,0]=4 1933 B10R0.83 CSCCNC(=O)C(C)C#N 527a_100020590264_100000753662 [0,1,0,0,0,0|3,0,0]=4 1934 B10R0.83 CSCCNC(=O)C(C)SC 11a_100020590264_100000149566 [0,1,0,0,0,0|2,1,0]=4 1935 B10R0.83 CSCCNC(=O)C(C)SC 1626a_100020590264_100000149566 [0,1,0,0,0,0|2,1,0]=4 1936 B10R0.83 CSCCNC(=O)C(C)SC 240690a_100020590264_100000149566 [0,1,0,0,0,0|2,1,0]=4 1937 B10R0.83 CSCCNC(=O)C(C)SC 527a_100020590264_100000149566 [0,1,0,0,0,0|2,1,0]=4 1938 B10R0.83 CSCCNC(=O)C(O)CO 240690a_100020590264_100011215603 [0,1,0,0,0,0|2,0,0]=3 1939 B10R0.83 N#CCCCC(=O)C(O)CO 1458a_100011215603_100000211468 [0,1,0,0,0,0|2,0,1]=4 1940 B10R0.83 N#CCCNC(=O)C(O)CO 240690a_100000720768_100011215603 [0,1,0,0,0,0|2,0,1]=4 1941 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,1,0,0,0,0|2,0,0]=3 1942 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,1,0,0,0,0|2,0,0]=3 1943 B10R0.83 O=C(NCCCF)C(O)CO 240690a_100015189416_100011215603 [0,1,0,0,0,0|2,0,0]=3 1944 B10R0.83 O=C(NCCCO)C(O)CO 240690a_100000182051_100011215603 [0,1,0,0,0,0|2,0,0]=3 1945 B10R0.83 O=C(NNCCO)C(O)CO 22a_100000210001_100011215603 [0,1,0,0,0,0|3,0,0]=4 1946 B10R0.86 C#CC(OCCCC)C(C)C 34a_100011217124_100000210210 [0,1,0,0,0,0|2,0,1]=4 1947 B10R0.86 C#CC(OCCCC)C(C)C 7a_100011217124_100000210211 [0,1,0,0,0,0|2,0,1]=4 1948 B10R0.86 C=CC(OCCCC)C(C)C 34a_100000732651_100000210210 [0,1,0,0,0,0|2,0,1]=4 1949 B10R0.86 C=CC(OCCCC)C(C)C 7a_100000732651_100000210211 [0,1,0,0,0,0|2,0,1]=4 1950 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210211 [0,1,0,0,0,0|2,0,1]=4 1951 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210210 [0,1,0,0,0,0|2,0,1]=4 1952 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210211 [0,1,0,0,0,0|1,0,2]=4 1953 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210210 [0,1,0,0,0,0|1,0,2]=4 1954 B10R0.86 CCCCOC(C#N)C(C)C 34a_100000748901_100000210210 [0,1,0,0,0,0|2,0,1]=4 1955 B10R0.86 CCCCOC(C#N)C(C)C 7a_100000748901_100000210211 [0,1,0,0,0,0|2,0,1]=4 1956 B10R0.86 CCCCOC(CC)C(C)C 34a_100011218073_100000210210 [0,1,0,0,0,0|2,0,1]=4 1957 B10R0.86 CCCCOC(CC)C(C)C 7a_100011218073_100000210211 [0,1,0,0,0,0|2,0,1]=4 1958 B10R0.86 CCCCOC(CN)C(C)C 34a_100000759067_100000210210 [0,1,0,0,0,0|2,0,1]=4 1959 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,1,0,0,0,0|2,0,1]=4 1960 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,1,0,0,0,0|2,0,1]=4 1961 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,1,0,0,0,0|2,0,1]=4 1962 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,1,0,0,0,0|2,0,1]=4 1963 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,1,0,0,0,0|1,0,2]=4 1964 B10R0.98 C=C(C)C(=O)OCCN(C)C 2230a_100102631434_100009816335 [0,1,0,0,0,0|2,0,1]=4 1965 B10R0.98 C=C(C)C(=O)OCCN(C)C 269982a_100102631434_100009816335 [0,1,0,0,0,0|2,0,1]=4 1966 B10R0.98 C=C(C)CNNC(=O)[C@@H](C)O 22a_100000729518_100000717761 [0,1,0,0,0,0|2,0,1]=4 1967 B10R0.98 C=C(C)CNNC(=O)[C@H](C)O 22a_100000729518_217856618621 [0,1,0,0,0,0|2,0,1]=4 1968 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [0,1,0,0,0,0|1,0,2]=4 1969 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [0,1,0,0,0,0|1,0,2]=4 1970 B10R0.98 CC(=CCNC(=O)[C@H](C)O)C 1626a_100000718196_217856618621 [0,1,0,0,0,0|1,0,2]=4 1971 B10R0.98 CC(=NNCC(C)O)C(C)O 4a_200000730056_100000212229 [0,1,0,0,0,0|3,0,0]=4 1972 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,0,0,0,0|2,0,1]=4 1973 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,1,0,0,0,0|2,0,1]=4 1974 B10R0.98 CC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215641 [0,1,0,0,0,0|2,0,1]=4 1975 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,1,0,0,0,0|1,0,1]=3 1976 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,1,0,0,0,0|1,0,1]=3 1977 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,1,0,0,0,0|2,0,1]=4 1978 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,1,0,0,0,0|2,0,1]=4 1979 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,1,0,0,0,0|2,0,1]=4 1980 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,1,0,0,0,0|2,0,1]=4 1981 B10R0.98 CC(Br)COCC(=O)C(C)C 34a_100012180447_100000753385 [0,1,0,0,0,0|3,0,0]=4 1982 B10R0.98 CC(C)C(=O)CCCN(C)C 1458a_100000210198_100000695564 [0,1,0,0,0,0|3,0,0]=4 1983 B10R0.98 CC(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000753385 [0,1,0,0,0,0|3,0,0]=4 1984 B10R0.98 CC(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000753385 [0,1,0,0,0,0|3,0,0]=4 1985 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,1,0,0,0,0|3,0,0]=4 1986 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,1,0,0,0,0|3,0,0]=4 1987 B10R0.98 CC(C)C(=O)NCCN(C)C 240690a_100000210585_100000210198 [0,1,0,0,0,0|3,0,0]=4 1988 B10R0.98 CC(C)C(=O)NCCN(C)C 527a_100000210585_100000210198 [0,1,0,0,0,0|3,0,0]=4 1989 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,1,0,0,0,0|2,0,0]=3 1990 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,1,0,0,0,0|2,0,0]=3 1991 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,1,0,0,0,0|2,0,0]=3 1992 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [0,1,0,0,0,0|2,0,0]=3 1993 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,1,0,0,0,0|3,0,0]=4 1994 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,1,0,0,0,0|3,0,0]=4 1995 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,1,0,0,0,0|3,0,0]=4 1996 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,1,0,0,0,0|3,0,0]=4 1997 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,1,0,0,0,0|1,0,0]=2 1998 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,1,0,0,0,0|1,0,0]=2 1999 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,1,0,0,0,0|2,0,0]=3 2000 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,1,0,0,0,0|2,0,0]=3 2001 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,1,0,0,0,0|2,0,0]=3 2002 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,1,0,0,0,0|2,0,0]=3 2003 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,1,0,0,0,0|2,0,0]=3 2004 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,1,0,0,0,0|2,0,0]=3 2005 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,1,0,0,0,0|2,0,0]=3 2006 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,1,0,0,0,0|2,0,0]=3 2007 B10R0.98 CC(C)CCNC(=O)C(F)F 11a_100000210545_100000210393 [0,1,0,0,0,0|3,0,0]=4 2008 B10R0.98 CC(C)CCNC(=O)C(F)F 1626a_100000210545_100000210393 [0,1,0,0,0,0|3,0,0]=4 2009 B10R0.98 CC(C)CCNC(=O)C(F)F 240690a_100000210545_100000210393 [0,1,0,0,0,0|3,0,0]=4 2010 B10R0.98 CC(C)CCNC(=O)C(F)F 527a_100000210545_100000210393 [0,1,0,0,0,0|3,0,0]=4 2011 B10R0.98 CC(C)CCNC(=O)C(O)O 240690a_100000210545_100000233687 [0,1,0,0,0,0|2,0,0]=3 2012 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [0,1,0,0,0,0|3,0,0]=4 2013 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,1,0,0,0,0|1,0,0]=2 2014 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,1,0,0,0,0|1,0,0]=2 2015 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,1,0,0,0,0|1,0,0]=2 2016 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [0,1,0,0,0,0|2,0,1]=4 2017 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [0,1,0,0,0,0|3,0,0]=4 2018 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [0,1,0,0,0,0|3,0,0]=4 2019 B10R0.98 CC(C)CNNC(=O)C(C)C 22a_100000696102_100000210198 [0,1,0,0,0,0|3,0,0]=4 2020 B10R0.98 CC(C)CNNC(=O)C(C)F 22a_100000696102_100000062450 [0,1,0,0,0,0|3,0,0]=4 2021 B10R0.98 CC(C)CNNC(=O)C(O)O 22a_100000696102_100000233687 [0,1,0,0,0,0|3,0,0]=4 2022 B10R0.98 CC(C)CNNC(=O)[C@@H](C)O 22a_100000696102_100000717761 [0,1,0,0,0,0|2,0,0]=3 2023 B10R0.98 CC(C)CNNC(=O)[C@H](C)O 22a_100000696102_217856618621 [0,1,0,0,0,0|2,0,0]=3 2024 B10R0.98 CC(C)COCC(=O)C(C)C 1458a_100011223364_100000210206 [0,1,0,0,0,0|3,0,0]=4 2025 B10R0.98 CC(C)COCC(=O)C(C)C 34a_100000210257_100000753385 [0,1,0,0,0,0|3,0,0]=4 2026 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000210624_100000753385 [0,1,0,0,0,0|3,0,0]=4 2027 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000753385_100000210760 [0,1,0,0,0,0|3,0,0]=4 2028 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [0,1,0,0,0,0|3,0,0]=4 2029 B10R0.98 CC(C)OCCC(=O)C(C)F 1458a_100000062450_100000211751 [0,1,0,0,0,0|3,0,0]=4 2030 B10R0.98 CC(C)OCCC(=O)C(O)O 1458a_100000233687_100000211751 [0,1,0,0,0,0|3,0,0]=4 2031 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,1,0,0,0,0|2,0,0]=3 2032 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,1,0,0,0,0|2,0,0]=3 2033 B10R0.98 CC(C)SCCC(=O)C(C)C 1458a_100000210198_100000730970 [0,1,0,0,0,0|3,0,0]=4 2034 B10R0.98 CC(C)SCCC(=O)C(C)F 1458a_100000062450_100000730970 [0,1,0,0,0,0|3,0,0]=4 2035 B10R0.98 CC(C)SCCC(=O)C(O)O 1458a_100000233687_100000730970 [0,1,0,0,0,0|3,0,0]=4 2036 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,1,0,0,0,0|2,0,0]=3 2037 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,1,0,0,0,0|2,0,0]=3 2038 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000139345_100000210206 [0,1,0,0,0,0|2,0,0]=3 2039 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000210206_100000139345 [0,1,0,0,0,0|2,0,0]=3 2040 B10R0.98 CC(F)C(=O)CCCN(C)C 1458a_100000062450_100000695564 [0,1,0,0,0,0|3,0,0]=4 2041 B10R0.98 CC(F)C(=O)NCCN(C)C 240690a_100000210585_100000062450 [0,1,0,0,0,0|3,0,0]=4 2042 B10R0.98 CC(F)C(=O)NCCN(C)C 527a_100000210585_100000062450 [0,1,0,0,0,0|3,0,0]=4 2043 B10R0.98 CC(F)COCC(=O)C(C)C 34a_100015925927_100000753385 [0,1,0,0,0,0|3,0,0]=4 2044 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,1,0,0,0,0|2,0,0]=3 2045 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,1,0,0,0,0|2,0,0]=3 2046 B10R0.98 CC(O)CCCC(=O)C(O)O 1458a_100000233687_200000718107 [0,1,0,0,0,0|2,0,0]=3 2047 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,1,0,0,0,0|3,0,0]=4 2048 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,1,0,0,0,0|3,0,0]=4 2049 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,1,0,0,0,0|1,0,0]=2 2050 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,1,0,0,0,0|1,0,0]=2 2051 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,1,0,0,0,0|2,0,0]=3 2052 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,1,0,0,0,0|2,0,0]=3 2053 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,1,0,0,0,0|2,0,0]=3 2054 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,1,0,0,0,0|2,0,0]=3 2055 B10R0.98 CC(O)CCNC(=O)C(F)F 240690a_200000755665_100000210393 [0,1,0,0,0,0|3,0,0]=4 2056 B10R0.98 CC(O)CCNC(=O)C(F)F 527a_200000755665_100000210393 [0,1,0,0,0,0|3,0,0]=4 2057 B10R0.98 CC(O)CCNC(=O)C(O)O 240690a_200000755665_100000233687 [0,1,0,0,0,0|2,0,0]=3 2058 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,1,0,0,0,0|1,0,0]=2 2059 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,1,0,0,0,0|1,0,0]=2 2060 B10R0.98 CC(O)CCOC(C)C(C)C 7a_100000748068_100012276601 [0,1,0,0,0,0|2,0,1]=4 2061 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,1,0,0,0,0|3,0,0]=4 2062 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,1,0,0,0,0|3,0,0]=4 2063 B10R0.98 CC(O)CNNC(=O)C(C)C 22a_200000730056_100000210198 [0,1,0,0,0,0|3,0,0]=4 2064 B10R0.98 CC(O)CNNC(=O)C(C)F 22a_200000730056_100000062450 [0,1,0,0,0,0|3,0,0]=4 2065 B10R0.98 CC(O)CNNC(=O)C(O)O 22a_200000730056_100000233687 [0,1,0,0,0,0|3,0,0]=4 2066 B10R0.98 CC(O)CNNC(=O)[C@@H](C)O 22a_200000730056_100000717761 [0,1,0,0,0,0|2,0,0]=3 2067 B10R0.98 CC(O)CNNC(=O)[C@H](C)O 22a_200000730056_217856618621 [0,1,0,0,0,0|2,0,0]=3 2068 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,1,0,0,0,0|3,0,0]=4 2069 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,1,0,0,0,0|3,0,0]=4 2070 B10R0.98 CN(C)CCCC(=O)C(O)O 1458a_100000233687_100000695564 [0,1,0,0,0,0|3,0,0]=4 2071 B10R0.98 CN(C)CCNC(=O)C(O)O 240690a_100000210585_100000233687 [0,1,0,0,0,0|3,0,0]=4 2072 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,1,0,0,0,0|2,0,1]=4 2073 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,1,0,0,0,0|2,0,0]=3 2074 B10R0.98 C[C@@H](O)C(=O)NCCC(=O)N 240690a_100000740010_100000717761 [0,1,0,0,0,0|2,0,1]=4 2075 B10R0.98 C[C@@H](O)C(=O)NCCN(C)C 240690a_100000210585_100000717761 [0,1,0,0,0,0|2,0,0]=3 2076 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,1,0,0,0,0|2,0,1]=4 2077 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,1,0,0,0,0|2,0,0]=3 2078 B10R0.98 C[C@H](O)C(=O)NCCC(=O)N 240690a_100000740010_217856618621 [0,1,0,0,0,0|2,0,1]=4 2079 B10R0.98 C[C@H](O)C(=O)NCCN(C)C 240690a_100000210585_217856618621 [0,1,0,0,0,0|2,0,0]=3 2080 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,0,0,1,0,0|2,0,1]=4 2081 B10R1.23 CC(C)C(=O)C1=CCCC1 1458a_100000038896_100000210206 [0,0,0,1,0,0|2,0,1]=4 2082 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,0,0,1,0,0|2,0,0]=3 2083 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,0,0,1,0,0|2,0,0]=3 2084 B10R1.23 CC(C)C(=O)C1CCCS1 1458a_100012002731_100000210206 [0,0,0,1,0,0|3,0,0]=4 2085 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100000210198_100000690089 [0,0,0,1,0,0|3,0,0]=4 2086 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100011219752_100000210206 [0,0,0,1,0,0|3,0,0]=4 2087 B10R1.23 CC(C)C(=O)N1CCCC1 240690a_100000188435_100000210198 [0,0,0,1,0,0|2,0,0]=3 2088 B10R1.23 CC(C)C(=O)N1CCCC1 527a_100000188435_100000210198 [0,0,0,1,0,0|2,0,0]=3 2089 B10R1.23 CC(C)C(=O)N1CCSC1 11a_100011215254_100000210198 [0,0,0,1,0,0|3,0,0]=4 2090 B10R1.23 CC(C)C(=O)N1CCSC1 240690a_100011215254_100000210198 [0,0,0,1,0,0|3,0,0]=4 2091 B10R1.23 CC(C)C(=O)N1CCSC1 527a_100011215254_100000210198 [0,0,0,1,0,0|3,0,0]=4 2092 B10R1.23 CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000210206 [0,0,0,1,0,0|3,0,0]=4 2093 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,0,0,1,0,0|2,0,0]=3 2094 B10R1.23 CC(F)C(=O)C1CCOC1 1458a_100000062450_100000690089 [0,0,0,1,0,0|3,0,0]=4 2095 B10R1.23 CC(F)C(=O)N1CCCC1 240690a_100000188435_100000062450 [0,0,0,1,0,0|2,0,0]=3 2096 B10R1.23 CC(F)C(=O)N1CCCC1 527a_100000188435_100000062450 [0,0,0,1,0,0|2,0,0]=3 2097 B10R1.23 CC(F)C(=O)N1CCSC1 11a_100011215254_100000062450 [0,0,0,1,0,0|3,0,0]=4 2098 B10R1.23 CC(F)C(=O)N1CCSC1 240690a_100011215254_100000062450 [0,0,0,1,0,0|3,0,0]=4 2099 B10R1.23 CC(F)C(=O)N1CCSC1 527a_100011215254_100000062450 [0,0,0,1,0,0|3,0,0]=4 2100 B10R1.23 CN(C)C(=O)C1CCCC1 11a_100102631434_100000210718 [0,0,0,1,0,0|3,0,0]=4 2101 B10R1.23 CN(C)C(=O)C1CCCC1 1626a_100102631434_100000210718 [0,0,0,1,0,0|3,0,0]=4 2102 B10R1.23 CN(C)C(=O)C1CCCC1 240690a_100102631434_100000210718 [0,0,0,1,0,0|3,0,0]=4 2103 B10R1.23 CN(C)C(=O)C1CCCC1 527a_100102631434_100000210718 [0,0,0,1,0,0|3,0,0]=4 2104 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,0,0,1,0,0|1,0,0]=2 2105 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,0,0,1,0,0|2,0,0]=3 2106 B10R1.23 C[C@@H](O)C(=O)N1CC=CC1 240690a_100015195280_100000717761 [0,0,0,1,0,0|1,0,2]=4 2107 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,0,0,1,0,0|1,0,0]=2 2108 B10R1.23 C[C@@H](O)C(=O)N1CCSC1 240690a_100011215254_100000717761 [0,0,0,1,0,0|2,0,0]=3 2109 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,0,0,1,0,0|1,0,0]=2 2110 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,0,0,1,0,0|2,0,0]=3 2111 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 1626a_100015195280_217856618621 [0,0,0,1,0,0|1,0,2]=4 2112 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 240690a_100015195280_217856618621 [0,0,0,1,0,0|1,0,2]=4 2113 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,0,0,1,0,0|1,0,0]=2 2114 B10R1.23 C[C@H](O)C(=O)N1CCSC1 240690a_100011215254_217856618621 [0,0,0,1,0,0|2,0,0]=3 2115 B10R1.23 O=C(C(F)F)N1CCCC1 240690a_100000188435_100000210393 [0,0,0,1,0,0|3,0,0]=4 2116 B10R1.23 O=C(C(F)F)N1CCCC1 527a_100000188435_100000210393 [0,0,0,1,0,0|3,0,0]=4 2117 B10R1.23 O=C(C(O)O)C1CCCC1 1458a_100000233687_100000179811 [0,0,0,1,0,0|2,0,0]=3 2118 B10R1.23 O=C(C(O)O)C1CCOC1 1458a_100000233687_100000690089 [0,0,0,1,0,0|3,0,0]=4 2119 B10R1.23 O=C(C(O)O)N1CCCC1 240690a_100000188435_100000233687 [0,0,0,1,0,0|2,0,0]=3 2120 B10R1.23 O=C(C(O)O)N1CCSC1 240690a_100011215254_100000233687 [0,0,0,1,0,0|3,0,0]=4 2121 B10R1.31 CCc1noc(n1)[C@@H](C)O 270196a_200000212204_100000717761 [0,0,0,1,0,0|2,0,1]=4 2122 B10R1.31 CCc1noc(n1)[C@H](C)O 270196a_200000212204_217856618621 [0,0,0,1,0,0|2,0,1]=4 2123 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 2230a_100000751695_200025704644 [0,0,0,1,0,0|3,0,0]=4 2124 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 269982a_100000751695_200025704644 [0,0,0,1,0,0|3,0,0]=4 2125 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 34a_100000751695_200025704644 [0,0,0,1,0,0|3,0,0]=4 2126 B10R1.114 CN1CCNC(=O)C1(C)C 2230a_100000751695_200000210301 [0,0,0,1,0,0|3,0,0]=4 2127 B10R1.114 CN1CCNC(=O)C1(C)C 269982a_100000751695_200000210301 [0,0,0,1,0,0|3,0,0]=4 2128 B10R1.114 CN1CCNC(=O)C1(C)C 34a_100000751695_200000210301 [0,0,0,1,0,0|3,0,0]=4 2129 B10R1.116 C=C(C)C(=O)N1CCC1C 11a_100000755817_100000185857 [0,0,0,1,0,0|2,0,1]=4 2130 B10R1.116 CC(C)C(=O)N1CCC1C 11a_100000755817_100000210198 [0,0,0,1,0,0|2,0,0]=3 2131 B10R1.116 CC(C)C(=O)N1CCC1C 240690a_100000755817_100000210198 [0,0,0,1,0,0|2,0,0]=3 2132 B10R1.116 CC(C)C(=O)N1CCC1C 527a_100000755817_100000210198 [0,0,0,1,0,0|2,0,0]=3 2133 B10R1.116 CC(F)C(=O)N1CCC1C 11a_100000755817_100000062450 [0,0,0,1,0,0|2,0,0]=3 2134 B10R1.116 CC(F)C(=O)N1CCC1C 240690a_100000755817_100000062450 [0,0,0,1,0,0|2,0,0]=3 2135 B10R1.116 CC(F)C(=O)N1CCC1C 527a_100000755817_100000062450 [0,0,0,1,0,0|2,0,0]=3 2136 B10R1.116 CC1CCN1C(=O)C(F)F 11a_100000755817_100000210393 [0,0,0,1,0,0|3,0,0]=4 2137 B10R1.116 CC1CCN1C(=O)C(F)F 240690a_100000755817_100000210393 [0,0,0,1,0,0|3,0,0]=4 2138 B10R1.116 CC1CCN1C(=O)C(F)F 527a_100000755817_100000210393 [0,0,0,1,0,0|3,0,0]=4 2139 B10R1.116 CC1CCN1C(=O)C(O)O 240690a_100000755817_100000233687 [0,0,0,1,0,0|2,0,0]=3 2140 B10R1.116 CC1CCN1C(=O)[C@@H](C)O 240690a_100000755817_100000717761 [0,0,0,1,0,0|1,0,0]=2 2141 B10R1.116 CC1CCN1C(=O)[C@H](C)O 240690a_100000755817_217856618621 [0,0,0,1,0,0|1,0,0]=2 2142 B10R1.116 C[C@@H](O)C(=O)C1CCC1=O 1458a_100000717761_100009892977 [0,0,0,1,0,0|2,0,1]=4 2143 B10R1.116 C[C@H](O)C(=O)C1CCC1=O 1458a_217856618621_100009892977 [0,0,0,1,0,0|2,0,1]=4 2144 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [0,0,0,1,0,0|2,0,1]=4 2145 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,0,0,1,0,0|2,0,1]=4 2146 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,0,0,1,0,0|2,0,1]=4 2147 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,0,0,1,0,0|2,0,0]=3 2148 B10R1.155 CCC1CC1C(=O)N(C)C 11a_100102631434_200011661523 [0,0,0,1,0,0|3,0,0]=4 2149 B10R1.155 CCC1CC1C(=O)N(C)C 1626a_100102631434_200011661523 [0,0,0,1,0,0|3,0,0]=4 2150 B10R1.155 CCC1CC1C(=O)N(C)C 240690a_100102631434_200011661523 [0,0,0,1,0,0|3,0,0]=4 2151 B10R1.155 CCC1CC1C(=O)N(C)C 527a_100102631434_200011661523 [0,0,0,1,0,0|3,0,0]=4 2152 B10R1.186 C#CCCCC(=O)C1CO1 1458a_100000701028_100000731252 [0,0,0,1,0,0|1,0,2]=4 2153 B10R1.186 C#CCCNC(=O)C1CO1 11a_100000755551_100000701028 [0,0,0,1,0,0|1,0,2]=4 2154 B10R1.186 C#CCCNC(=O)C1CO1 1626a_100000755551_100000701028 [0,0,0,1,0,0|1,0,2]=4 2155 B10R1.186 C#CCCNC(=O)C1CO1 240690a_100000755551_100000701028 [0,0,0,1,0,0|1,0,2]=4 2156 B10R1.186 C#CCCNC(=O)C1CO1 527a_100000755551_100000701028 [0,0,0,1,0,0|1,0,2]=4 2157 B10R1.186 C=CCCCC(=O)C1CO1 1458a_100000701028_100000757094 [0,0,0,1,0,0|1,0,2]=4 2158 B10R1.186 C=CCCNC(=O)C1CO1 11a_100015191253_100000701028 [0,0,0,1,0,0|1,0,2]=4 2159 B10R1.186 C=CCCNC(=O)C1CO1 1626a_100015191253_100000701028 [0,0,0,1,0,0|1,0,2]=4 2160 B10R1.186 C=CCCNC(=O)C1CO1 240690a_100015191253_100000701028 [0,0,0,1,0,0|1,0,2]=4 2161 B10R1.186 C=CCCNC(=O)C1CO1 527a_100015191253_100000701028 [0,0,0,1,0,0|1,0,2]=4 2162 B10R1.186 CC#CCNC(=O)C1CO1 11a_100000685387_100000701028 [0,0,0,1,0,0|1,0,2]=4 2163 B10R1.186 CC#CCNC(=O)C1CO1 1626a_100000685387_100000701028 [0,0,0,1,0,0|1,0,2]=4 2164 B10R1.186 CC#CCNC(=O)C1CO1 527a_100000685387_100000701028 [0,0,0,1,0,0|1,0,2]=4 2165 B10R1.186 CC/C=C\CC(=O)C1CO1 1458a_100000701028_100103147603 [0,0,0,1,0,0|1,0,2]=4 2166 B10R1.186 CCC#CCC(=O)C1CO1 1458a_100000701028_100009813939 [0,0,0,1,0,0|1,0,2]=4 2167 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,0,0,1,0,0|2,0,0]=3 2168 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,0,0,1,0,0|1,0,0]=2 2169 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,0,0,1,0,0|2,0,0]=3 2170 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,0,0,1,0,0|2,0,0]=3 2171 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,0,0,1,0,0|2,0,0]=3 2172 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,0,0,1,0,0|2,0,0]=3 2173 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,0,0,1,0,0|1,0,0]=2 2174 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,0,0,1,0,0|1,0,0]=2 2175 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,0,0,1,0,0|1,0,0]=2 2176 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,0,0,1,0,0|1,0,0]=2 2177 B10R1.186 CCCCNC(C)C1CO1 270004a_100000102301_100000031964 [0,0,0,1,0,0|2,0,1]=4 2178 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [0,0,0,1,0,0|2,0,1]=4 2179 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [0,0,0,1,0,0|2,0,1]=4 2180 B10R1.186 CCCNN=C(C)C1CO1 4a_100000740057_100000031964 [0,0,0,1,0,0|3,0,0]=4 2181 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [0,0,0,1,0,0|3,0,0]=4 2182 B10R1.186 CCCNNC(=O)C1CO1 22a_100000740057_100000701028 [0,0,0,1,0,0|2,0,0]=3 2183 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,0,0,1,0,0|3,0,0]=4 2184 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,0,0,1,0,0|3,0,0]=4 2185 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,0,0,1,0,0|3,0,0]=4 2186 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,0,0,1,0,0|3,0,0]=4 2187 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [0,0,0,1,0,0|2,0,0]=3 2188 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,0,0,1,0,0|3,0,0]=4 2189 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,0,0,1,0,0|2,0,0]=3 2190 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [0,0,0,1,0,0|2,0,0]=3 2191 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,0,0,1,0,0|3,0,0]=4 2192 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,0,0,1,0,0|2,0,0]=3 2193 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [0,0,0,1,0,0|2,0,0]=3 2194 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [0,0,0,1,0,0|2,0,0]=3 2195 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,0,0,1,0,0|3,0,0]=4 2196 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,0,0,1,0,0|2,0,0]=3 2197 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [0,0,0,1,0,0|3,0,0]=4 2198 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [0,0,0,1,0,0|3,0,0]=4 2199 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [0,0,0,1,0,0|3,0,0]=4 2200 B10R1.186 COCCNC(=O)C1CO1 1626a_100000209980_100000701028 [0,0,0,1,0,0|2,0,0]=3 2201 B10R1.186 COCCNC(=O)C1CO1 240690a_100000209980_100000701028 [0,0,0,1,0,0|2,0,0]=3 2202 B10R1.186 COCCNC(=O)C1CO1 527a_100000209980_100000701028 [0,0,0,1,0,0|2,0,0]=3 2203 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [0,0,0,1,0,0|3,0,0]=4 2204 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [0,0,0,1,0,0|3,0,0]=4 2205 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [0,0,0,1,0,0|3,0,0]=4 2206 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [0,0,0,1,0,0|3,0,0]=4 2207 B10R1.186 CSCCNC(=O)C1CO1 11a_100020590264_100000701028 [0,0,0,1,0,0|2,0,0]=3 2208 B10R1.186 CSCCNC(=O)C1CO1 1626a_100020590264_100000701028 [0,0,0,1,0,0|2,0,0]=3 2209 B10R1.186 CSCCNC(=O)C1CO1 240690a_100020590264_100000701028 [0,0,0,1,0,0|2,0,0]=3 2210 B10R1.186 CSCCNC(=O)C1CO1 527a_100020590264_100000701028 [0,0,0,1,0,0|2,0,0]=3 2211 B10R1.186 N#CCCCC(=O)C1CO1 1458a_100000701028_100000211468 [0,0,0,1,0,0|2,0,1]=4 2212 B10R1.186 N#CCCNC(=O)C1CO1 11a_100000720768_100000701028 [0,0,0,1,0,0|2,0,1]=4 2213 B10R1.186 N#CCCNC(=O)C1CO1 1626a_100000720768_100000701028 [0,0,0,1,0,0|2,0,1]=4 2214 B10R1.186 N#CCCNC(=O)C1CO1 240690a_100000720768_100000701028 [0,0,0,1,0,0|2,0,1]=4 2215 B10R1.186 N#CCCNC(=O)C1CO1 527a_100000720768_100000701028 [0,0,0,1,0,0|2,0,1]=4 2216 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,0,0,1,0,0|3,0,0]=4 2217 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,0,0,1,0,0|2,0,0]=3 2218 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,0,0,1,0,0|3,0,0]=4 2219 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,0,0,1,0,0|2,0,0]=3 2220 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [0,0,0,1,0,0|3,0,0]=4 2221 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [0,0,0,1,0,0|3,0,0]=4 2222 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [0,0,0,1,0,0|3,0,0]=4 2223 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [0,0,0,1,0,0|3,0,0]=4 2224 B10R1.186 O=C(NCCCF)C1CO1 11a_100015189416_100000701028 [0,0,0,1,0,0|2,0,0]=3 2225 B10R1.186 O=C(NCCCF)C1CO1 1626a_100015189416_100000701028 [0,0,0,1,0,0|2,0,0]=3 2226 B10R1.186 O=C(NCCCF)C1CO1 240690a_100015189416_100000701028 [0,0,0,1,0,0|2,0,0]=3 2227 B10R1.186 O=C(NCCCF)C1CO1 527a_100015189416_100000701028 [0,0,0,1,0,0|2,0,0]=3 2228 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [0,0,0,1,0,0|3,0,0]=4 2229 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [0,0,0,1,0,0|3,0,0]=4 2230 B10R1.186 O=C(NCCCO)C1CO1 240690a_100000182051_100000701028 [0,0,0,1,0,0|2,0,0]=3 2231 B10R1.186 O=C(NCCCO)C1CO1 527a_100000182051_100000701028 [0,0,0,1,0,0|2,0,0]=3 2232 B10R1.186 O=C(NNCCO)C1CO1 22a_100000210001_100000701028 [0,0,0,1,0,0|3,0,0]=4 2233 B10R1.186 O=C(OCSCF)C1CC1 62a_100000140896_100015361967 [0,0,0,1,0,0|3,0,0]=4 2234 B10R1.186 O=C(OCSCF)C1CC1 62a_100015361967_100000140896 [0,0,0,1,0,0|3,0,0]=4 2235 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210198 [0,0,0,1,0,0|3,0,0]=4 2236 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210198 [0,0,0,1,0,0|3,0,0]=4 2237 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210198 [0,0,0,1,0,0|3,0,0]=4 2238 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210198 [0,0,0,1,0,0|3,0,0]=4 2239 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210198 [0,0,0,1,0,0|3,0,0]=4 2240 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210198 [0,0,0,1,0,0|3,0,0]=4 2241 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000062450 [0,0,0,1,0,0|3,0,0]=4 2242 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000062450 [0,0,0,1,0,0|3,0,0]=4 2243 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000062450 [0,0,0,1,0,0|3,0,0]=4 2244 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000062450 [0,0,0,1,0,0|3,0,0]=4 2245 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000062450 [0,0,0,1,0,0|3,0,0]=4 2246 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000062450 [0,0,0,1,0,0|3,0,0]=4 2247 B10R1.190 C[C@@H](O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000717761 [0,0,0,1,0,0|2,0,0]=3 2248 B10R1.190 C[C@@H](O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000717761 [0,0,0,1,0,0|2,0,0]=3 2249 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_217856618621 [0,0,0,1,0,0|2,0,0]=3 2250 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_217856618621 [0,0,0,1,0,0|2,0,0]=3 2251 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_217856618621 [0,0,0,1,0,0|2,0,0]=3 2252 B10R1.190 O=C(N[C@@H]1C[C@@H]1F)C(O)O 240690a_100015190264_100000233687 [0,0,0,1,0,0|3,0,0]=4 2253 B10R1.190 O=C(N[C@@H]1C[C@H]1F)C(O)O 240690a_100025746932_100000233687 [0,0,0,1,0,0|3,0,0]=4 2254 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,0,0,1,0,0|2,0,1]=4 2255 B10R1.204 C=C(C)C(=O)NC1CCC1 11a_100000749019_100000185857 [0,0,0,1,0,0|2,0,1]=4 2256 B10R1.204 C=C(C)C(=O)NC1CCC1 1626a_100000749019_100000185857 [0,0,0,1,0,0|2,0,1]=4 2257 B10R1.204 CC(C)C(=O)C=C1CCC1 1458a_100000686340_100000210206 [0,0,0,1,0,0|2,0,1]=4 2258 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,0,0,1,0,0|2,0,0]=3 2259 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,0,0,1,0,0|2,0,0]=3 2260 B10R1.204 CC(C)C(=O)CC1CCO1 1458a_100000210198_100000103362 [0,0,0,1,0,0|3,0,0]=4 2261 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000210198_100010264016 [0,0,0,1,0,0|3,0,0]=4 2262 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000687760_100000210206 [0,0,0,1,0,0|3,0,0]=4 2263 B10R1.204 CC(C)C(=O)CN1CCC1 269982a_100000754969_100000753385 [0,0,0,1,0,0|3,0,0]=4 2264 B10R1.204 CC(C)C(=O)NC1CCC1 11a_100000749019_100000210198 [0,0,0,1,0,0|2,0,0]=3 2265 B10R1.204 CC(C)C(=O)NC1CCC1 1626a_100000749019_100000210198 [0,0,0,1,0,0|2,0,0]=3 2266 B10R1.204 CC(C)C(=O)NC1CCC1 240690a_100000749019_100000210198 [0,0,0,1,0,0|2,0,0]=3 2267 B10R1.204 CC(C)C(=O)NC1CCC1 527a_100000749019_100000210198 [0,0,0,1,0,0|2,0,0]=3 2268 B10R1.204 CC(C)C(=O)NC1COC1 11a_100016991112_100000210198 [0,0,0,1,0,0|3,0,0]=4 2269 B10R1.204 CC(C)C(=O)NC1COC1 1626a_100016991112_100000210198 [0,0,0,1,0,0|3,0,0]=4 2270 B10R1.204 CC(C)C(=O)NC1COC1 240690a_100016991112_100000210198 [0,0,0,1,0,0|3,0,0]=4 2271 B10R1.204 CC(C)C(=O)NC1COC1 527a_100016991112_100000210198 [0,0,0,1,0,0|3,0,0]=4 2272 B10R1.204 CC(C)C(=O)NC1CSC1 11a_100016994217_100000210198 [0,0,0,1,0,0|3,0,0]=4 2273 B10R1.204 CC(C)C(=O)NC1CSC1 1626a_100016994217_100000210198 [0,0,0,1,0,0|3,0,0]=4 2274 B10R1.204 CC(C)C(=O)NC1CSC1 240690a_100016994217_100000210198 [0,0,0,1,0,0|3,0,0]=4 2275 B10R1.204 CC(C)C(=O)NC1CSC1 527a_100016994217_100000210198 [0,0,0,1,0,0|3,0,0]=4 2276 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,0,0,1,0,0|2,0,0]=3 2277 B10R1.204 CC(F)C(=O)CC1CCO1 1458a_100000062450_100000103362 [0,0,0,1,0,0|3,0,0]=4 2278 B10R1.204 CC(F)C(=O)CC1COC1 1458a_100000062450_100010264016 [0,0,0,1,0,0|3,0,0]=4 2279 B10R1.204 CC(F)C(=O)NC1CCC1 11a_100000749019_100000062450 [0,0,0,1,0,0|2,0,0]=3 2280 B10R1.204 CC(F)C(=O)NC1CCC1 1626a_100000749019_100000062450 [0,0,0,1,0,0|2,0,0]=3 2281 B10R1.204 CC(F)C(=O)NC1CCC1 240690a_100000749019_100000062450 [0,0,0,1,0,0|2,0,0]=3 2282 B10R1.204 CC(F)C(=O)NC1CCC1 527a_100000749019_100000062450 [0,0,0,1,0,0|2,0,0]=3 2283 B10R1.204 CC(F)C(=O)NC1COC1 11a_100016991112_100000062450 [0,0,0,1,0,0|3,0,0]=4 2284 B10R1.204 CC(F)C(=O)NC1COC1 1626a_100016991112_100000062450 [0,0,0,1,0,0|3,0,0]=4 2285 B10R1.204 CC(F)C(=O)NC1COC1 240690a_100016991112_100000062450 [0,0,0,1,0,0|3,0,0]=4 2286 B10R1.204 CC(F)C(=O)NC1COC1 527a_100016991112_100000062450 [0,0,0,1,0,0|3,0,0]=4 2287 B10R1.204 CC(F)C(=O)NC1CSC1 11a_100016994217_100000062450 [0,0,0,1,0,0|3,0,0]=4 2288 B10R1.204 CC(F)C(=O)NC1CSC1 1626a_100016994217_100000062450 [0,0,0,1,0,0|3,0,0]=4 2289 B10R1.204 CC(F)C(=O)NC1CSC1 240690a_100016994217_100000062450 [0,0,0,1,0,0|3,0,0]=4 2290 B10R1.204 CC(F)C(=O)NC1CSC1 527a_100016994217_100000062450 [0,0,0,1,0,0|3,0,0]=4 2291 B10R1.204 CN(C)C(=O)CC1CCC1 11a_100102631434_100000763092 [0,0,0,1,0,0|3,0,0]=4 2292 B10R1.204 CN(C)C(=O)CC1CCC1 1626a_100102631434_100000763092 [0,0,0,1,0,0|3,0,0]=4 2293 B10R1.204 CN(C)C(=O)CC1CCC1 240690a_100102631434_100000763092 [0,0,0,1,0,0|3,0,0]=4 2294 B10R1.204 CN(C)C(=O)CC1CCC1 527a_100102631434_100000763092 [0,0,0,1,0,0|3,0,0]=4 2295 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,0,0,1,0,0|1,0,0]=2 2296 B10R1.204 C[C@@H](O)C(=O)CC1CCO1 1458a_100000717761_100000103362 [0,0,0,1,0,0|2,0,0]=3 2297 B10R1.204 C[C@@H](O)C(=O)CC1COC1 1458a_100000717761_100010264016 [0,0,0,1,0,0|2,0,0]=3 2298 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000717761 [0,0,0,1,0,0|1,0,0]=2 2299 B10R1.204 C[C@@H](O)C(=O)NC1COC1 240690a_100016991112_100000717761 [0,0,0,1,0,0|2,0,0]=3 2300 B10R1.204 C[C@@H](O)C(=O)NC1CSC1 240690a_100016994217_100000717761 [0,0,0,1,0,0|2,0,0]=3 2301 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,0,0,1,0,0|1,0,0]=2 2302 B10R1.204 C[C@H](O)C(=O)CC1CCO1 1458a_217856618621_100000103362 [0,0,0,1,0,0|2,0,0]=3 2303 B10R1.204 C[C@H](O)C(=O)CC1COC1 1458a_217856618621_100010264016 [0,0,0,1,0,0|2,0,0]=3 2304 B10R1.204 C[C@H](O)C(=O)NC1CCC1 1626a_100000749019_217856618621 [0,0,0,1,0,0|1,0,0]=2 2305 B10R1.204 C[C@H](O)C(=O)NC1CCC1 240690a_100000749019_217856618621 [0,0,0,1,0,0|1,0,0]=2 2306 B10R1.204 C[C@H](O)C(=O)NC1COC1 1626a_100016991112_217856618621 [0,0,0,1,0,0|2,0,0]=3 2307 B10R1.204 C[C@H](O)C(=O)NC1COC1 240690a_100016991112_217856618621 [0,0,0,1,0,0|2,0,0]=3 2308 B10R1.204 C[C@H](O)C(=O)NC1CSC1 1626a_100016994217_217856618621 [0,0,0,1,0,0|2,0,0]=3 2309 B10R1.204 C[C@H](O)C(=O)NC1CSC1 240690a_100016994217_217856618621 [0,0,0,1,0,0|2,0,0]=3 2310 B10R1.204 O=C(CC1CCC1)C(O)O 1458a_100000233687_100000763275 [0,0,0,1,0,0|2,0,0]=3 2311 B10R1.204 O=C(CC1CCO1)C(O)O 1458a_100000233687_100000103362 [0,0,0,1,0,0|3,0,0]=4 2312 B10R1.204 O=C(CC1COC1)C(O)O 1458a_100000233687_100010264016 [0,0,0,1,0,0|3,0,0]=4 2313 B10R1.204 O=C(NC1CCC1)C(F)F 11a_100000749019_100000210393 [0,0,0,1,0,0|3,0,0]=4 2314 B10R1.204 O=C(NC1CCC1)C(F)F 1626a_100000749019_100000210393 [0,0,0,1,0,0|3,0,0]=4 2315 B10R1.204 O=C(NC1CCC1)C(F)F 240690a_100000749019_100000210393 [0,0,0,1,0,0|3,0,0]=4 2316 B10R1.204 O=C(NC1CCC1)C(F)F 527a_100000749019_100000210393 [0,0,0,1,0,0|3,0,0]=4 2317 B10R1.204 O=C(NC1CCC1)C(O)O 240690a_100000749019_100000233687 [0,0,0,1,0,0|2,0,0]=3 2318 B10R1.204 O=C(NC1COC1)C(O)O 240690a_100016991112_100000233687 [0,0,0,1,0,0|3,0,0]=4 2319 B10R1.204 O=C(NC1CSC1)C(O)O 240690a_100016994217_100000233687 [0,0,0,1,0,0|3,0,0]=4 2320 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,0,0,1,0,0|2,0,1]=4 2321 B10R1.205 C=C(C)C(=O)NCC1CC1 11a_100000735609_100000185857 [0,0,0,1,0,0|2,0,1]=4 2322 B10R1.205 C=C(C)C(=O)NCC1CC1 1626a_100000735609_100000185857 [0,0,0,1,0,0|2,0,1]=4 2323 B10R1.205 CC(=NNC1CC1)C(C)O 4a_100000701032_100000212229 [0,0,0,1,0,0|3,0,0]=4 2324 B10R1.205 CC(C)C(=O)C=CC1CC1 1458a_100102529529_100000210206 [0,0,0,1,0,0|2,0,1]=4 2325 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,0,0,1,0,0|2,0,0]=3 2326 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,0,0,1,0,0|2,0,0]=3 2327 B10R1.205 CC(C)C(=O)CCC1CO1 1458a_100000210198_100000732470 [0,0,0,1,0,0|3,0,0]=4 2328 B10R1.205 CC(C)C(=O)CNC1CC1 34a_100000212008_100000753385 [0,0,0,1,0,0|3,0,0]=4 2329 B10R1.205 CC(C)C(=O)CSC1CC1 62a_100000753385_100000211595 [0,0,0,1,0,0|3,0,0]=4 2330 B10R1.205 CC(C)C(=O)NCC1CC1 11a_100000735609_100000210198 [0,0,0,1,0,0|2,0,0]=3 2331 B10R1.205 CC(C)C(=O)NCC1CC1 1626a_100000735609_100000210198 [0,0,0,1,0,0|2,0,0]=3 2332 B10R1.205 CC(C)C(=O)NCC1CC1 240690a_100000735609_100000210198 [0,0,0,1,0,0|2,0,0]=3 2333 B10R1.205 CC(C)C(=O)NCC1CC1 527a_100000735609_100000210198 [0,0,0,1,0,0|2,0,0]=3 2334 B10R1.205 CC(C)C(=O)NNC1CC1 22a_100000701032_100000210198 [0,0,0,1,0,0|3,0,0]=4 2335 B10R1.205 CC(C)C(C)OCC1CC1 7a_100000748068_100000742324 [0,0,0,1,0,0|2,0,1]=4 2336 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,0,0,1,0,0|2,0,0]=3 2337 B10R1.205 CC(F)C(=O)CCC1CO1 1458a_100000062450_100000732470 [0,0,0,1,0,0|3,0,0]=4 2338 B10R1.205 CC(F)C(=O)NCC1CC1 11a_100000735609_100000062450 [0,0,0,1,0,0|2,0,0]=3 2339 B10R1.205 CC(F)C(=O)NCC1CC1 1626a_100000735609_100000062450 [0,0,0,1,0,0|2,0,0]=3 2340 B10R1.205 CC(F)C(=O)NCC1CC1 240690a_100000735609_100000062450 [0,0,0,1,0,0|2,0,0]=3 2341 B10R1.205 CC(F)C(=O)NCC1CC1 527a_100000735609_100000062450 [0,0,0,1,0,0|2,0,0]=3 2342 B10R1.205 CC(F)C(=O)NNC1CC1 22a_100000701032_100000062450 [0,0,0,1,0,0|3,0,0]=4 2343 B10R1.205 CN(C)C(=O)CCC1CC1 11a_100102631434_100000756386 [0,0,0,1,0,0|3,0,0]=4 2344 B10R1.205 CN(C)C(=O)CCC1CC1 1626a_100102631434_100000756386 [0,0,0,1,0,0|3,0,0]=4 2345 B10R1.205 CN(C)C(=O)CCC1CC1 240690a_100102631434_100000756386 [0,0,0,1,0,0|3,0,0]=4 2346 B10R1.205 CN(C)C(=O)CCC1CC1 527a_100102631434_100000756386 [0,0,0,1,0,0|3,0,0]=4 2347 B10R1.205 CN(C)C(=O)NCC1CC1 2708a_100000735609_100102631434 [0,0,0,1,0,0|3,0,0]=4 2348 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,0,0,1,0,0|1,0,0]=2 2349 B10R1.205 C[C@@H](O)C(=O)CCC1CO1 1458a_100000717761_100000732470 [0,0,0,1,0,0|2,0,0]=3 2350 B10R1.205 C[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000717761 [0,0,0,1,0,0|1,0,0]=2 2351 B10R1.205 C[C@@H](O)C(=O)NNC1CC1 22a_100000701032_100000717761 [0,0,0,1,0,0|2,0,0]=3 2352 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,0,0,1,0,0|1,0,0]=2 2353 B10R1.205 C[C@H](O)C(=O)CCC1CO1 1458a_217856618621_100000732470 [0,0,0,1,0,0|2,0,0]=3 2354 B10R1.205 C[C@H](O)C(=O)NCC1CC1 1626a_100000735609_217856618621 [0,0,0,1,0,0|1,0,0]=2 2355 B10R1.205 C[C@H](O)C(=O)NCC1CC1 240690a_100000735609_217856618621 [0,0,0,1,0,0|1,0,0]=2 2356 B10R1.205 C[C@H](O)C(=O)NNC1CC1 22a_100000701032_217856618621 [0,0,0,1,0,0|2,0,0]=3 2357 B10R1.205 O=C(CCC1CC1)C(O)O 1458a_100000233687_100000694398 [0,0,0,1,0,0|2,0,0]=3 2358 B10R1.205 O=C(CCC1CO1)C(O)O 1458a_100000233687_100000732470 [0,0,0,1,0,0|3,0,0]=4 2359 B10R1.205 O=C(NCC1CC1)C(F)F 11a_100000735609_100000210393 [0,0,0,1,0,0|3,0,0]=4 2360 B10R1.205 O=C(NCC1CC1)C(F)F 1626a_100000735609_100000210393 [0,0,0,1,0,0|3,0,0]=4 2361 B10R1.205 O=C(NCC1CC1)C(F)F 240690a_100000735609_100000210393 [0,0,0,1,0,0|3,0,0]=4 2362 B10R1.205 O=C(NCC1CC1)C(F)F 527a_100000735609_100000210393 [0,0,0,1,0,0|3,0,0]=4 2363 B10R1.205 O=C(NCC1CC1)C(O)O 240690a_100000735609_100000233687 [0,0,0,1,0,0|2,0,0]=3 2364 B10R1.205 O=C(NNC1CC1)C(O)O 22a_100000701032_100000233687 [0,0,0,1,0,0|3,0,0]=4 2365 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,0,0,1,0,0|2,0,1]=4 2366 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,0,0,1,0,0|2,0,1]=4 2367 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,0,0,0,0,1|1,0,2]=4 2368 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,0,0,0,0,1|1,0,2]=4 2369 B10R0.6 C#CCCNC(=O)C[C@@H](C)O 240690a_100000755551_100011933948 [0,0,0,0,0,1|1,0,2]=4 2370 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,0,0,0,0,1|2,0,1]=4 2371 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,0,0,0,0,1|1,0,2]=4 2372 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,0,0,0,0,1|1,0,2]=4 2373 B10R0.6 C=CCCNC(=O)C[C@@H](C)O 240690a_100015191253_100011933948 [0,0,0,0,0,1|1,0,2]=4 2374 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,0,0,0,0,1|1,0,2]=4 2375 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,0,0,0,0,1|1,0,2]=4 2376 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,0,0,0,0,1|3,0,0]=4 2377 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,0,0,0,0,1|3,0,0]=4 2378 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,0,0,0,0,1|3,0,0]=4 2379 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [0,0,0,0,0,1|3,0,0]=4 2380 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [0,0,0,0,0,1|3,0,0]=4 2381 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [0,0,0,0,0,1|3,0,0]=4 2382 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [0,0,0,0,0,1|3,0,0]=4 2383 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,0,0,0,0,1|3,0,0]=4 2384 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,0,0,0,0,1|3,0,0]=4 2385 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,0,0,0,0,1|3,0,0]=4 2386 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100015189416_100138425928 [0,0,0,0,0,1|3,0,0]=4 2387 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100138425928_100015189416 [0,0,0,0,0,1|3,0,0]=4 2388 B10R0.6 CC(C)NC(=O)NCCCF 273464a_100138425928_100015189416 [0,0,0,0,0,1|3,0,0]=4 2389 B10R0.6 CC(C)NC(=O)NCCCF 512a_100015189416_100138425928 [0,0,0,0,0,1|3,0,0]=4 2390 B10R0.6 CC(C)NC(=O)NCCCF 512a_100138425928_100015189416 [0,0,0,0,0,1|3,0,0]=4 2391 B10R0.6 CC(C)NC(=O)NCCCO 2708a_100138425928_100000182051 [0,0,0,0,0,1|3,0,0]=4 2392 B10R0.6 CC(C)NC(=O)NCCCO 273464a_100138425928_100000182051 [0,0,0,0,0,1|3,0,0]=4 2393 B10R0.6 CC(C)NC(=O)NCCCO 512a_100138425928_100000182051 [0,0,0,0,0,1|3,0,0]=4 2394 B10R0.6 CC(C)OC(=O)OCSCF 62a_100000003507_100015361967 [0,0,0,0,0,1|3,0,0]=4 2395 B10R0.6 CC(C)OC(=O)OCSCF 62a_100015361967_100000003507 [0,0,0,0,0,1|3,0,0]=4 2396 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,0,0,0,0,1|2,0,1]=4 2397 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,0,0,0,0,1|2,0,0]=3 2398 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,0,0,0,0,1|3,0,0]=4 2399 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,0,0,0,0,1|1,0,2]=4 2400 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,0,0,0,0,1|1,0,2]=4 2401 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,0,0,0,0,1|1,0,2]=4 2402 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [0,0,0,0,0,1|2,0,1]=4 2403 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,0,0,0,0,1|1,0,1]=3 2404 B10R0.6 CCCC#CC(=O)NC(C)C 240690a_100138425928_200011218047 [0,0,0,0,0,1|2,0,1]=4 2405 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,0,0,0,0,1|2,0,1]=4 2406 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,0,0,0,0,1|1,0,1]=3 2407 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,0,0,0,0,1|2,0,1]=4 2408 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,0,0,0,0,1|2,0,1]=4 2409 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,0,0,0,0,1|2,0,1]=4 2410 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,0,0,0,0,1|2,0,1]=4 2411 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,0,0,0,0,1|2,0,1]=4 2412 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,0,0,0,0,1|2,0,1]=4 2413 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,0,0,0,0,1|1,0,2]=4 2414 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,0,0,0,0,1|2,0,0]=3 2415 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,0,0,0,0,1|2,0,0]=3 2416 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,0,0,0,0,1|1,0,0]=2 2417 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,0,0,0,0,1|3,0,0]=4 2418 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,0,0,0,0,1|3,0,0]=4 2419 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,0,0,0,0,1|3,0,0]=4 2420 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,0,0,0,0,1|3,0,0]=4 2421 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,0,0,0,0,1|1,0,0]=2 2422 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,0,0,0,0,1|3,0,0]=4 2423 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,0,0,0,0,1|2,0,0]=3 2424 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,0,0,0,0,1|2,0,0]=3 2425 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,0,0,0,0,1|2,0,0]=3 2426 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,0,0,0,0,1|2,0,0]=3 2427 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,0,0,0,0,1|3,0,0]=4 2428 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,0,0,0,0,1|3,0,0]=4 2429 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,0,0,0,0,1|3,0,0]=4 2430 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,0,0,0,0,1|3,0,0]=4 2431 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,0,0,0,0,1|3,0,0]=4 2432 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,0,0,0,0,1|3,0,0]=4 2433 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,0,0,0,0,1|2,0,1]=4 2434 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,0,0,0,0,1|2,0,1]=4 2435 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,0,0,0,0,1|2,0,1]=4 2436 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,0,0,0,0,1|2,0,1]=4 2437 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,0,0,0,0,1|2,0,1]=4 2438 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,0,0,0,0,1|2,0,1]=4 2439 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,0,0,0,0,1|2,0,1]=4 2440 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,0,0,0,0,1|2,0,1]=4 2441 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,0,0,0,0,1|1,0,2]=4 2442 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,0,0,0,0,1|2,0,0]=3 2443 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,0,0,0,0,1|2,0,0]=3 2444 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,0,0,0,0,1|2,0,0]=3 2445 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,0,0,0,0,1|2,0,0]=3 2446 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,0,0,0,0,1|3,0,0]=4 2447 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,0,0,0,0,1|3,0,0]=4 2448 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,0,0,0,0,1|3,0,0]=4 2449 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,0,0,0,0,1|3,0,0]=4 2450 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,0,0,0,0,1|3,0,0]=4 2451 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,0,0,0,0,1|3,0,0]=4 2452 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,0,0,0,0,1|3,0,0]=4 2453 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,0,0,0,0,1|3,0,0]=4 2454 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,0,0,0,0,1|3,0,0]=4 2455 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,0,0,0,0,1|1,0,0]=2 2456 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,0,0,0,0,1|3,0,0]=4 2457 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,0,0,0,0,1|3,0,0]=4 2458 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,0,0,0,0,1|3,0,0]=4 2459 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,0,0,0,0,1|3,0,0]=4 2460 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,0,0,0,0,1|2,0,0]=3 2461 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,0,0,0,0,1|2,0,0]=3 2462 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,0,0,0,0,1|2,0,0]=3 2463 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,0,0,0,0,1|2,0,0]=3 2464 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,0,0,0,0,1|2,0,0]=3 2465 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,0,0,0,0,1|0,0,2]=3 2466 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,0,0,0,0,1|2,0,0]=3 2467 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,0,0,0,0,1|2,0,0]=3 2468 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,0,0,0,0,1|2,0,1]=4 2469 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,0,0,0,0,1|2,0,1]=4 2470 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,0,0,0,0,1|2,0,1]=4 2471 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,0,0,0,0,1|2,0,1]=4 2472 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,0,0,0,0,1|3,0,0]=4 2473 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [0,0,0,0,0,1|3,0,0]=4 2474 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,0,0,0,0,1|2,0,0]=3 2475 B10R0.6 CCCNNC(=O)NC(C)C 273464a_100138425928_100000740057 [0,0,0,0,0,1|3,0,0]=4 2476 B10R0.6 CCCNNC(=O)NC(C)C 512a_100000740057_100138425928 [0,0,0,0,0,1|3,0,0]=4 2477 B10R0.6 CCCNNC(=O)NC(C)C 512a_100138425928_100000740057 [0,0,0,0,0,1|3,0,0]=4 2478 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,0,0,0,0,1|3,0,0]=4 2479 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,0,0,0,0,1|2,0,0]=3 2480 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,0,0,0,0,1|3,0,0]=4 2481 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,0,0,0,0,1|3,0,0]=4 2482 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,0,0,0,0,1|3,0,0]=4 2483 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,0,0,0,0,1|3,0,0]=4 2484 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,0,0,0,0,1|3,0,0]=4 2485 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,0,0,0,0,1|3,0,0]=4 2486 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,0,0,0,0,1|3,0,0]=4 2487 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,0,0,0,0,1|2,0,0]=3 2488 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,0,0,0,0,1|3,0,0]=4 2489 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,0,0,0,0,1|3,0,0]=4 2490 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,0,0,0,0,1|3,0,0]=4 2491 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,0,0,0,0,1|3,0,0]=4 2492 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,0,0,0,0,1|3,0,0]=4 2493 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,0,0,0,0,1|3,0,0]=4 2494 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,0,0,0,0,1|3,0,0]=4 2495 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,0,0,0,0,1|3,0,0]=4 2496 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,0,0,0,0,1|3,0,0]=4 2497 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,0,0,0,0,1|3,0,0]=4 2498 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [0,0,0,0,0,1|2,0,1]=4 2499 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,0,0,0,0,1|3,0,0]=4 2500 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,0,0,0,0,1|3,0,0]=4 2501 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,0,0,0,0,1|2,0,0]=3 2502 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,0,0,0,0,1|2,0,0]=3 2503 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,0,0,0,0,1|3,0,0]=4 2504 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,0,0,0,0,1|3,0,0]=4 2505 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,0,0,0,0,1|3,0,0]=4 2506 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,0,0,0,0,1|3,0,0]=4 2507 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,0,0,0,0,1|3,0,0]=4 2508 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,0,0,0,0,1|3,0,0]=4 2509 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,0,0,0,0,1|2,0,0]=3 2510 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,0,0,0,0,1|2,0,0]=3 2511 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,0,0,0,0,1|3,0,0]=4 2512 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,0,0,0,0,1|3,0,0]=4 2513 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,0,0,0,0,1|3,0,0]=4 2514 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,0,0,0,0,1|3,0,0]=4 2515 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,0,0,0,0,1|3,0,0]=4 2516 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,0,0,0,0,1|3,0,0]=4 2517 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,0,0,0,0,1|3,0,0]=4 2518 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,0,0,0,0,1|3,0,0]=4 2519 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,0,0,0,0,1|2,0,0]=3 2520 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,0,0,0,0,1|2,0,0]=3 2521 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,0,0,0,0,1|1,0,2]=4 2522 B10R0.6 COCC=CC(=O)CC(C)O 1458a_100016285016_100011218427 [0,0,0,0,0,1|2,0,1]=4 2523 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,0,0,0,0,1|3,0,0]=4 2524 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,0,0,0,0,1|3,0,0]=4 2525 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,0,0,0,0,1|2,0,0]=3 2526 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,0,0,0,0,1|2,0,0]=3 2527 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,0,0,0,0,1|3,0,0]=4 2528 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,0,0,0,0,1|3,0,0]=4 2529 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,0,0,0,0,1|3,0,0]=4 2530 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,0,0,0,0,1|3,0,0]=4 2531 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,0,0,0,0,1|3,0,0]=4 2532 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,0,0,0,0,1|3,0,0]=4 2533 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,0,0,0,0,1|3,0,0]=4 2534 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,0,0,0,0,1|2,0,0]=3 2535 B10R0.6 COCCNC(=O)NC(C)C 2708a_100138425928_100000209980 [0,0,0,0,0,1|3,0,0]=4 2536 B10R0.6 COCCNC(=O)NC(C)C 273464a_100138425928_100000209980 [0,0,0,0,0,1|3,0,0]=4 2537 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,0,0,0,0,1|1,0,2]=4 2538 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,0,0,0,0,1|1,0,2]=4 2539 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,0,0,0,0,1|3,0,0]=4 2540 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,0,0,0,0,1|3,0,0]=4 2541 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,0,0,0,0,1|3,0,0]=4 2542 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,0,0,0,0,1|2,0,0]=3 2543 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,0,0,0,0,1|3,0,0]=4 2544 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,0,0,0,0,1|3,0,0]=4 2545 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,0,0,0,0,1|3,0,0]=4 2546 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,0,0,0,0,1|3,0,0]=4 2547 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,0,0,0,0,1|3,0,0]=4 2548 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,0,0,0,0,1|3,0,0]=4 2549 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,0,0,0,0,1|3,0,0]=4 2550 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,0,0,0,0,1|3,0,0]=4 2551 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,0,0,0,0,1|2,0,0]=3 2552 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,0,0,0,0,1|3,0,0]=4 2553 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,0,0,0,0,1|3,0,0]=4 2554 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,0,0,0,0,1|3,0,0]=4 2555 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,0,0,0,0,1|3,0,0]=4 2556 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,0,0,0,0,1|3,0,0]=4 2557 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,0,0,0,0,1|1,0,2]=4 2558 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,0,0,0,0,1|1,0,2]=4 2559 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,0,0,0,0,1|2,0,1]=4 2560 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,0,0,0,0,1|2,0,0]=3 2561 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,0,0,0,0,1|2,0,0]=3 2562 B10R0.6 C[C@@H](O)CC(=O)NCCC#N 240690a_100000720768_100011933948 [0,0,0,0,0,1|2,0,1]=4 2563 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,0,0,0,0,1|2,0,0]=3 2564 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,0,0,0,0,1|2,0,0]=3 2565 B10R0.6 C[C@@H](O)CC(=O)NNCCO 22a_100000210001_100011933948 [0,0,0,0,0,1|3,0,0]=4 2566 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 2567 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|2,0,0]=4 2568 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 2569 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 2570 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|2,0,0]=4 2571 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 2572 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 2573 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 2574 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|2,0,0]=4 2575 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|2,0,0]=4 2576 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|2,0,0]=4 2577 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|2,0,0]=4 2578 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|2,0,0]=4 2579 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|2,0,0]=4 2580 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|2,0,0]=4 2581 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|2,0,0]=4 2582 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|2,0,0]=4 2583 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [2,0,0,0,0,0|2,0,0]=4 2584 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|2,0,0]=4 2585 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|2,0,0]=4 2586 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|2,0,0]=4 2587 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|2,0,0]=4 2588 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|2,0,0]=4 2589 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|2,0,0]=4 2590 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|2,0,0]=4 2591 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,1]=4 2592 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,1]=4 2593 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,1]=4 2594 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,1]=4 2595 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,1]=4 2596 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,1]=4 2597 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|1,0,1]=4 2598 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|0,0,1]=3 2599 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|0,0,1]=3 2600 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|0,0,1]=3 2601 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|1,0,1]=4 2602 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|1,0,1]=4 2603 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|1,0,1]=4 2604 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|0,0,1]=3 2605 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|0,0,1]=3 2606 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|1,0,1]=4 2607 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|1,0,1]=4 2608 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|1,0,1]=4 2609 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|1,0,1]=4 2610 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|1,0,1]=4 2611 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|1,0,1]=4 2612 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|1,0,1]=4 2613 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|1,0,1]=4 2614 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|0,1,1]=4 2615 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|0,1,1]=4 2616 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|0,1,1]=4 2617 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|0,1,1]=4 2618 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|1,0,1]=4 2619 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|1,0,1]=4 2620 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|1,0,1]=4 2621 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|1,0,1]=4 2622 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|1,0,1]=4 2623 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,1]=4 2624 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|1,0,1]=4 2625 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|1,0,1]=4 2626 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|1,0,1]=4 2627 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|1,0,1]=4 2628 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|1,0,1]=4 2629 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|1,0,1]=4 2630 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|1,0,1]=4 2631 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|1,0,1]=4 2632 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|1,0,1]=4 2633 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 2634 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|1,0,1]=4 2635 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 2636 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 2637 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 2638 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|1,0,1]=4 2639 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|1,0,1]=4 2640 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|1,0,1]=4 2641 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|1,0,1]=4 2642 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|1,0,1]=4 2643 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|1,0,1]=4 2644 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|1,0,1]=4 2645 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [2,0,0,0,0,0|1,0,1]=4 2646 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [2,0,0,0,0,0|1,0,1]=4 2647 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [2,0,0,0,0,0|1,0,1]=4 2648 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [2,0,0,0,0,0|1,0,1]=4 2649 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [2,0,0,0,0,0|1,0,1]=4 2650 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [2,0,0,0,0,0|1,0,1]=4 2651 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [2,0,0,0,0,0|1,0,1]=4 2652 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [2,0,0,0,0,0|1,0,1]=4 2653 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [2,0,0,0,0,0|1,0,1]=4 2654 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [2,0,0,0,0,0|1,0,1]=4 2655 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [2,0,0,0,0,0|1,0,1]=4 2656 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|1,0,1]=4 2657 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [2,0,0,0,0,0|1,0,1]=4 2658 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [2,0,0,0,0,0|1,0,1]=4 2659 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [2,0,0,0,0,0|1,0,1]=4 2660 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [2,0,0,0,0,0|1,0,1]=4 2661 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [2,0,0,0,0,0|1,0,1]=4 2662 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [2,0,0,0,0,0|1,0,1]=4 2663 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [2,0,0,0,0,0|1,0,1]=4 2664 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [2,0,0,0,0,0|0,0,2]=4 2665 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [2,0,0,0,0,0|0,0,2]=4 2666 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [2,0,0,0,0,0|0,0,2]=4 2667 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [2,0,0,0,0,0|0,0,2]=4 2668 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,2]=4 2669 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [2,0,0,0,0,0|0,0,2]=4 2670 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [2,0,0,0,0,0|0,0,2]=4 2671 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,2]=4 2672 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,2]=4 2673 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [2,0,0,0,0,0|0,0,2]=4 2674 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [2,0,0,0,0,0|0,0,2]=4 2675 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [2,0,0,0,0,0|0,0,2]=4 2676 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,2]=4 2677 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,2]=4 2678 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [2,0,0,0,0,0|0,0,2]=4 2679 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [2,0,0,0,0,0|0,0,2]=4 2680 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [2,0,0,0,0,0|1,0,1]=4 2681 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [2,0,0,0,0,0|1,0,1]=4 2682 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,0]=3 2683 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,0]=3 2684 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,0]=3 2685 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,0]=3 2686 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,0]=3 2687 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,0]=3 2688 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [2,0,0,0,0,0|2,0,0]=4 2689 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [2,0,0,0,0,0|2,0,0]=4 2690 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [2,0,0,0,0,0|2,0,0]=4 2691 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2692 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2693 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2694 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2695 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2696 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2697 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|0,0,2]=4 2698 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,0]=2 2699 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,0]=2 2700 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,0]=3 2701 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|0,0,0]=2 2702 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,0]=3 2703 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2704 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2705 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2706 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [2,0,0,0,0,0|2,0,0]=4 2707 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 2708 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 2709 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [2,0,0,0,0,0|2,0,0]=4 2710 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 2711 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 2712 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 2713 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 2714 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2715 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2716 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2717 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2718 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [2,0,0,0,0,0|1,0,0]=3 2719 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [2,0,0,0,0,0|1,0,0]=3 2720 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [2,0,0,0,0,0|2,0,0]=4 2721 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 2722 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 2723 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 2724 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 2725 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [2,0,0,0,0,0|2,0,0]=4 2726 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [2,0,0,0,0,0|1,0,1]=4 2727 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [2,0,0,0,0,0|1,0,1]=4 2728 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [2,0,0,0,0,0|1,0,1]=4 2729 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [2,0,0,0,0,0|2,0,0]=4 2730 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [2,0,0,0,0,0|2,0,0]=4 2731 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|2,0,0]=4 2732 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [2,0,0,0,0,0|2,0,0]=4 2733 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [2,0,0,0,0,0|2,0,0]=4 2734 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,0]=3 2735 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,0]=3 2736 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [2,0,0,0,0,0|2,0,0]=4 2737 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [2,0,0,0,0,0|2,0,0]=4 2738 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 2739 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 2740 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [2,0,0,0,0,0|2,0,0]=4 2741 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [2,0,0,0,0,0|2,0,0]=4 2742 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 2743 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|2,0,0]=4 2744 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,0]=3 2745 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,0]=3 2746 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,0]=3 2747 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [2,0,0,0,0,0|2,0,0]=4 2748 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [2,0,0,0,0,0|2,0,0]=4 2749 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 2750 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 2751 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 2752 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [2,0,0,0,0,0|2,0,0]=4 2753 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [2,0,0,0,0,0|2,0,0]=4 2754 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|2,0,0]=4 2755 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|2,0,0]=4 2756 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2757 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2758 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [2,0,0,0,0,0|2,0,0]=4 2759 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2760 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2761 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [2,0,0,0,0,0|2,0,0]=4 2762 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [2,0,0,0,0,0|2,0,0]=4 2763 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2764 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [2,0,0,0,0,0|2,0,0]=4 2765 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [2,0,0,0,0,0|2,0,0]=4 2766 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2767 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2768 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2769 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [2,0,0,0,0,0|2,0,0]=4 2770 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [2,0,0,0,0,0|2,0,0]=4 2771 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [2,0,0,0,0,0|2,0,0]=4 2772 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [2,0,0,0,0,0|2,0,0]=4 2773 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2774 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 2775 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2776 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [2,0,0,0,0,0|2,0,0]=4 2777 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 2778 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|2,0,0]=4 2779 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|2,0,0]=4 2780 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|2,0,0]=4 2781 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|2,0,0]=4 2782 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|2,0,0]=4 2783 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|2,0,0]=4 2784 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|2,0,0]=4 2785 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [2,0,0,0,0,0|2,0,0]=4 2786 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [2,0,0,0,0,0|2,0,0]=4 2787 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [2,0,0,0,0,0|2,0,0]=4 2788 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [2,0,0,0,0,0|1,0,0]=3 2789 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|2,0,0]=4 2790 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [2,0,0,0,0,0|2,0,0]=4 2791 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [2,0,0,0,0,0|1,0,0]=3 2792 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [2,0,0,0,0,0|1,0,1]=4 2793 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [2,0,0,0,0,0|1,0,0]=3 2794 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|1,0,0]=3 2795 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [2,0,0,0,0,0|2,0,0]=4 2796 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [2,0,0,0,0,0|2,0,0]=4 2797 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [2,0,0,0,0,0|2,0,0]=4 2798 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [2,0,0,0,0,0|2,0,0]=4 2799 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 2800 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|2,0,0]=4 2801 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|2,0,0]=4 2802 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 2803 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 2804 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|2,0,0]=4 2805 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|2,0,0]=4 2806 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 2807 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 2808 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 2809 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [2,0,0,0,0,0|2,0,0]=4 2810 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 2811 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 2812 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [2,0,0,0,0,0|2,0,0]=4 2813 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|2,0,0]=4 2814 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [2,0,0,0,0,0|2,0,0]=4 2815 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [2,0,0,0,0,0|2,0,0]=4 2816 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [2,0,0,0,0,0|1,0,0]=3 2817 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [2,0,0,0,0,0|1,0,0]=3 2818 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [2,0,0,0,0,0|2,0,0]=4 2819 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [2,0,0,0,0,0|2,0,0]=4 2820 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [2,0,0,0,0,0|2,0,0]=4 2821 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [2,0,0,0,0,0|2,0,0]=4 2822 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [2,0,0,0,0,0|2,0,0]=4 2823 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [2,0,0,0,0,0|2,0,0]=4 2824 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [2,0,0,0,0,0|2,0,0]=4 2825 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [2,0,0,0,0,0|2,0,0]=4 2826 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [2,0,0,0,0,0|2,0,0]=4 2827 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [2,0,0,0,0,0|2,0,0]=4 2828 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [2,0,0,0,0,0|2,0,0]=4 2829 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [2,0,0,0,0,0|2,0,0]=4 2830 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [2,0,0,0,0,0|2,0,0]=4 2831 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [2,0,0,0,0,0|2,0,0]=4 2832 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [2,0,0,0,0,0|1,0,1]=4 2833 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [2,0,0,0,0,0|1,0,1]=4 2834 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [2,0,0,0,0,0|1,0,1]=4 2835 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [2,0,0,0,0,0|1,0,1]=4 2836 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [2,0,0,0,0,0|1,0,1]=4 2837 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [2,0,0,0,0,0|1,0,1]=4 2838 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|1,0,1]=4 2839 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|1,0,1]=4 2840 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,0]=3 2841 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,0]=3 2842 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,0]=3 2843 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 2844 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 2845 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 2846 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,0]=3 2847 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|2,0,0]=4 2848 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|2,0,0]=4 2849 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|2,0,0]=4 2850 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|2,0,0]=4 2851 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,0]=3 2852 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,0]=3 2853 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,0]=3 2854 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|1,1,0]=4 2855 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|1,1,0]=4 2856 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|2,0,0]=4 2857 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [2,0,0,0,0,0|1,0,1]=4 2858 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [2,0,0,0,0,0|1,0,1]=4 2859 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [2,0,0,0,0,0|2,0,0]=4 2860 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|2,0,0]=4 2861 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|2,0,0]=4 2862 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|2,0,0]=4 2863 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [2,0,0,0,0,0|1,0,1]=4 2864 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [2,0,0,0,0,0|1,0,1]=4 2865 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [2,0,0,0,0,0|1,0,1]=4 2866 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [2,0,0,0,0,0|1,0,1]=4 2867 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [2,0,0,0,0,0|0,0,1]=3 2868 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [2,0,0,0,0,0|1,0,1]=4 2869 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [2,0,0,0,0,0|1,0,1]=4 2870 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [2,0,0,0,0,0|0,0,1]=3 2871 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|2,0,0]=4 2872 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|2,0,0]=4 2873 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [2,0,0,0,0,0|0,1,1]=4 2874 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [2,0,0,0,0,0|0,1,1]=4 2875 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [2,0,0,0,0,0|0,1,1]=4 2876 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [2,0,0,0,0,0|0,1,1]=4 2877 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [2,0,0,0,0,0|1,0,1]=4 2878 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [2,0,0,0,0,0|1,0,1]=4 2879 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [2,0,0,0,0,0|2,0,0]=4 2880 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|2,0,0]=4 2881 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|2,0,0]=4 2882 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 2883 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 2884 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|2,0,0]=4 2885 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|1,0,1]=4 2886 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|1,0,0]=3 2887 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [2,0,0,0,0,0|2,0,0]=4 2888 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|2,0,0]=4 2889 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|2,0,0]=4 2890 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|2,0,0]=4 2891 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|2,0,0]=4 2892 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|2,0,0]=4 2893 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [2,0,0,0,0,0|1,0,1]=4 2894 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [2,0,0,0,0,0|1,0,1]=4 2895 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|1,0,0]=3 2896 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|1,0,0]=3 2897 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [2,0,0,0,0,0|2,0,0]=4 2898 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [2,0,0,0,0,0|2,0,0]=4 2899 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|2,0,0]=4 2900 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|2,0,0]=4 2901 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [2,0,0,0,0,0|1,0,1]=4 2902 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [2,0,0,0,0,0|1,0,1]=4 2903 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [2,0,0,0,0,0|1,0,1]=4 2904 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [2,0,0,0,0,0|2,0,0]=4 2905 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 2906 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 2907 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|1,0,0]=3 2908 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|1,0,0]=3 2909 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [2,0,0,0,0,0|2,0,0]=4 2910 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [2,0,0,0,0,0|2,0,0]=4 2911 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [2,0,0,0,0,0|2,0,0]=4 2912 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [2,0,0,0,0,0|2,0,0]=4 2913 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [2,0,0,0,0,0|2,0,0]=4 2914 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [2,0,0,0,0,0|2,0,0]=4 2915 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [2,0,0,0,0,0|2,0,0]=4 2916 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|2,0,0]=4 2917 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|2,0,0]=4 2918 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 2919 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|2,0,0]=4 2920 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 2921 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|2,0,0]=4 2922 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [2,0,0,0,0,0|1,0,1]=4 2923 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 2924 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 2925 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|2,0,0]=4 2926 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|2,0,0]=4 2927 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|1,0,0]=3 2928 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [2,0,0,0,0,0|2,0,0]=4 2929 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [2,0,0,0,0,0|2,0,0]=4 2930 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [2,0,0,0,0,0|2,0,0]=4 2931 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [2,0,0,0,0,0|2,0,0]=4 2932 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [2,0,0,0,0,0|2,0,0]=4 2933 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [2,0,0,0,0,0|2,0,0]=4 2934 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [2,0,0,0,0,0|2,0,0]=4 2935 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|2,0,0]=4 2936 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|2,0,0]=4 2937 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|2,0,0]=4 2938 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|2,0,0]=4 2939 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [2,0,0,0,0,0|1,0,1]=4 2940 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [2,0,0,0,0,0|1,0,1]=4 2941 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 2942 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 2943 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 2944 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [2,0,0,0,0,0|2,0,0]=4 2945 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [2,0,0,0,0,0|2,0,0]=4 2946 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [2,0,0,0,0,0|2,0,0]=4 2947 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [2,0,0,0,0,0|1,0,0]=3 2948 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [2,0,0,0,0,0|1,0,0]=3 2949 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [2,0,0,0,0,0|2,0,0]=4 2950 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [2,0,0,0,0,0|2,0,0]=4 2951 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [2,0,0,0,0,0|2,0,0]=4 2952 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [2,0,0,0,0,0|2,0,0]=4 2953 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [2,0,0,0,0,0|2,0,0]=4 2954 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [2,0,0,0,0,0|2,0,0]=4 2955 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [2,0,0,0,0,0|2,0,0]=4 2956 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [2,0,0,0,0,0|1,0,1]=4 2957 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [2,0,0,0,0,0|1,0,1]=4 2958 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|2,0,0]=4 2959 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [2,0,0,0,0,0|2,0,0]=4 2960 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [2,0,0,0,0,0|2,0,0]=4 2961 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [2,0,0,0,0,0|2,0,0]=4 2962 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [2,0,0,0,0,0|0,0,2]=4 2963 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [2,0,0,0,0,0|0,0,2]=4 2964 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [2,0,0,0,0,0|1,0,1]=4 2965 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [2,0,0,0,0,0|0,0,2]=4 2966 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [2,0,0,0,0,0|0,0,2]=4 2967 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [2,0,0,0,0,0|2,0,0]=4 2968 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [2,0,0,0,0,0|2,0,0]=4 2969 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [2,0,0,0,0,0|2,0,0]=4 2970 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [2,0,0,0,0,0|2,0,0]=4 2971 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [2,0,0,0,0,0|2,0,0]=4 2972 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [2,0,0,0,0,0|2,0,0]=4 2973 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [2,0,0,0,0,0|2,0,0]=4 2974 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [2,0,0,0,0,0|1,0,0]=3 2975 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [2,0,0,0,0,0|1,0,0]=3 2976 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [2,0,0,0,0,0|1,0,0]=3 2977 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [2,0,0,0,0,0|1,0,0]=3 2978 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 2979 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 2980 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 2981 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 2982 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [2,0,0,0,0,0|0,0,0]=2 2983 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [2,0,0,0,0,0|0,0,0]=2 2984 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [2,0,0,0,0,0|2,0,0]=4 2985 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [2,0,0,0,0,0|2,0,0]=4 2986 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [2,0,0,0,0,0|2,0,0]=4 2987 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 2988 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 2989 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 2990 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [2,0,0,0,0,0|2,0,0]=4 2991 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [2,0,0,0,0,0|1,0,0]=3 2992 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [2,0,0,0,0,0|1,0,0]=3 2993 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 2994 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [2,0,0,0,0,0|2,0,0]=4 2995 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 2996 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [2,0,0,0,0,0|2,0,0]=4 2997 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [2,0,0,0,0,0|2,0,0]=4 2998 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [2,0,0,0,0,0|2,0,0]=4 2999 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [2,0,0,0,0,0|2,0,0]=4 3000 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [2,0,0,0,0,0|2,0,0]=4 3001 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [2,0,0,0,0,0|2,0,0]=4 3002 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [2,0,0,0,0,0|2,0,0]=4 3003 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [2,0,0,0,0,0|1,0,1]=4 3004 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [2,0,0,0,0,0|1,0,0]=3 3005 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [2,0,0,0,0,0|1,0,0]=3 3006 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [2,0,0,0,0,0|1,0,1]=4 3007 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [2,0,0,0,0,0|1,0,0]=3 3008 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [2,0,0,0,0,0|1,0,0]=3 3009 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [2,0,0,0,0,0|2,0,0]=4 3010 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [2,0,0,0,0,0|2,0,0]=4 3011 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,1]=4 3012 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [1,1,0,0,0,0|1,0,1]=4 3013 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [1,1,0,0,0,0|2,0,0]=4 3014 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,1,0,0,0,0|1,0,0]=3 3015 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [1,1,0,0,0,0|1,0,0]=3 3016 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [1,1,0,0,0,0|1,0,0]=3 3017 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [1,1,0,0,0,0|1,0,1]=4 3018 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [1,1,0,0,0,0|1,0,1]=4 3019 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [1,1,0,0,0,0|2,0,0]=4 3020 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [1,1,0,0,0,0|2,0,0]=4 3021 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [1,1,0,0,0,0|2,0,0]=4 3022 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [1,1,0,0,0,0|1,0,1]=4 3023 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|1,0,0]=3 3024 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [1,1,0,0,0,0|1,0,0]=3 3025 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [1,1,0,0,0,0|1,0,0]=3 3026 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [1,1,0,0,0,0|2,0,0]=4 3027 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|1,0,1]=4 3028 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,1,0,0,0,0|1,0,0]=3 3029 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,1,0,0,0,0|1,0,0]=3 3030 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,1,0,0,0,0|1,0,0]=3 3031 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [1,1,0,0,0,0|2,0,0]=4 3032 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [1,1,0,0,0,0|2,0,0]=4 3033 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [1,1,0,0,0,0|2,0,0]=4 3034 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [1,1,0,0,0,0|2,0,0]=4 3035 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [1,1,0,0,0,0|2,0,0]=4 3036 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [1,1,0,0,0,0|2,0,0]=4 3037 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [1,1,0,0,0,0|2,0,0]=4 3038 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [1,1,0,0,0,0|2,0,0]=4 3039 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [1,1,0,0,0,0|2,0,0]=4 3040 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [1,1,0,0,0,0|2,0,0]=4 3041 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [1,1,0,0,0,0|2,0,0]=4 3042 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [1,1,0,0,0,0|2,0,0]=4 3043 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [1,1,0,0,0,0|2,0,0]=4 3044 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 3045 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 3046 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 3047 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 3048 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [1,1,0,0,0,0|1,0,0]=3 3049 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [1,1,0,0,0,0|1,0,0]=3 3050 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [1,1,0,0,0,0|2,0,0]=4 3051 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [1,1,0,0,0,0|2,0,0]=4 3052 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [1,1,0,0,0,0|2,0,0]=4 3053 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [1,1,0,0,0,0|2,0,0]=4 3054 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [1,1,0,0,0,0|1,0,1]=4 3055 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,1,0,0,0,0|1,0,1]=4 3056 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,1,0,0,0,0|1,0,1]=4 3057 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,1,0,0,0,0|1,0,1]=4 3058 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [1,1,0,0,0,0|1,0,1]=4 3059 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [1,1,0,0,0,0|1,0,1]=4 3060 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [1,1,0,0,0,0|2,0,0]=4 3061 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [1,1,0,0,0,0|2,0,0]=4 3062 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [1,1,0,0,0,0|2,0,0]=4 3063 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [1,1,0,0,0,0|2,0,0]=4 3064 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [1,1,0,0,0,0|2,0,0]=4 3065 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [1,1,0,0,0,0|2,0,0]=4 3066 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [1,1,0,0,0,0|2,0,0]=4 3067 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [1,1,0,0,0,0|2,0,0]=4 3068 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [1,1,0,0,0,0|2,0,0]=4 3069 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [1,1,0,0,0,0|2,0,0]=4 3070 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [1,1,0,0,0,0|2,0,0]=4 3071 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [1,1,0,0,0,0|2,0,0]=4 3072 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [1,1,0,0,0,0|2,0,0]=4 3073 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [1,1,0,0,0,0|2,0,0]=4 3074 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [1,1,0,0,0,0|2,0,0]=4 3075 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [1,1,0,0,0,0|2,0,0]=4 3076 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [1,1,0,0,0,0|2,0,0]=4 3077 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [1,1,0,0,0,0|2,0,0]=4 3078 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [1,1,0,0,0,0|2,0,0]=4 3079 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [1,1,0,0,0,0|1,0,1]=4 3080 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [1,1,0,0,0,0|2,0,0]=4 3081 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [1,1,0,0,0,0|2,0,0]=4 3082 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,1,0,0,0,0|1,0,1]=4 3083 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,1,0,0,0,0|1,0,1]=4 3084 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [1,1,0,0,0,0|1,0,1]=4 3085 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [1,1,0,0,0,0|1,0,1]=4 3086 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,1,0,0,0,0|1,0,1]=4 3087 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,1,0,0,0,0|1,0,1]=4 3088 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [1,1,0,0,0,0|1,0,1]=4 3089 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [1,1,0,0,0,0|1,0,1]=4 3090 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [1,1,0,0,0,0|1,0,1]=4 3091 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [1,1,0,0,0,0|1,0,1]=4 3092 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,1,0,0,0,0|1,0,1]=4 3093 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|1,0,1]=4 3094 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3095 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3096 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3097 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,1,0,0,0,0|1,0,1]=4 3098 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [1,1,0,0,0,0|1,0,1]=4 3099 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [1,1,0,0,0,0|1,0,1]=4 3100 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,1,0,0,0,0|1,0,1]=4 3101 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|2,0,0]=4 3102 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|2,0,0]=4 3103 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|2,0,0]=4 3104 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|2,0,0]=4 3105 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|2,0,0]=4 3106 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|2,0,0]=4 3107 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|2,0,0]=4 3108 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|2,0,0]=4 3109 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|2,0,0]=4 3110 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|2,0,0]=4 3111 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3112 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3113 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3114 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3115 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|2,0,0]=4 3116 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|2,0,0]=4 3117 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3118 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3119 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3120 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3121 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3122 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3123 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3124 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,1,0,0,0,0|1,0,0]=3 3125 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,1,0,0,0,0|1,0,0]=3 3126 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,1,0,0,0,0|1,0,0]=3 3127 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [1,1,0,0,0,0|2,0,0]=4 3128 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,1,0,0,0,0|1,0,1]=4 3129 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,1,0,0,0,0|1,0,1]=4 3130 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,1,0,0,0,0|1,0,1]=4 3131 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3132 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3133 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,1,0,0,0,0|1,0,1]=4 3134 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,1,0,0,0,0|1,0,1]=4 3135 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|1,0,0]=3 3136 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|1,0,0]=3 3137 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,0]=3 3138 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|1,0,0]=3 3139 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|1,0,0]=3 3140 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|1,0,0]=3 3141 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|1,0,0]=3 3142 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|1,0,0]=3 3143 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,0]=3 3144 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,0]=3 3145 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|1,0,0]=3 3146 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|1,0,0]=3 3147 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|1,0,0]=3 3148 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|1,0,0]=3 3149 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|1,0,0]=3 3150 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3151 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3152 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3153 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,1,0,0,0,0|2,0,0]=4 3154 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [1,1,0,0,0,0|1,0,1]=4 3155 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [1,1,0,0,0,0|1,0,1]=4 3156 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3157 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3158 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3159 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3160 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|1,0,0]=3 3161 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,1,0,0,0,0|1,0,0]=3 3162 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,1,0,0,0,0|1,0,0]=3 3163 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,1,0,0,0,0|1,0,0]=3 3164 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3165 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3166 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3167 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,1,0,0,0,0|1,0,0]=3 3168 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3169 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3170 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3171 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3172 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3173 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,1,0,0,0,0|1,0,0]=3 3174 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,1,0,0,0,0|1,0,0]=3 3175 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,1,0,0,0,0|1,0,0]=3 3176 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,1,0,0,0,0|1,0,0]=3 3177 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3178 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3179 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3180 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3181 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3182 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3183 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3184 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3185 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,1,0,0,0,0|2,0,0]=4 3186 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,1,0,0,0,0|0,0,0]=2 3187 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,1,0,0,0,0|0,0,0]=2 3188 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,1,0,0,0,0|0,0,0]=2 3189 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,1,0,0,0,0|0,0,0]=2 3190 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,1,0,0,0,0|0,0,0]=2 3191 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,1,0,0,0,0|0,0,0]=2 3192 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,1,0,0,0,0|0,0,0]=2 3193 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,1,0,0,0,0|0,0,0]=2 3194 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,1,0,0,0,0|1,0,1]=4 3195 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 3196 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,1,0,0,0,0|1,0,1]=4 3197 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 3198 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,1,0,0,0,0|1,0,1]=4 3199 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 3200 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 3201 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,1,0,0,0,0|1,0,1]=4 3202 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,1,0,0,0,0|1,0,1]=4 3203 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,1,0,0,0,0|1,0,1]=4 3204 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,1,0,0,0,0|2,0,0]=4 3205 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,1,0,0,0,0|2,0,0]=4 3206 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [1,1,0,0,0,0|2,0,0]=4 3207 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [1,1,0,0,0,0|2,0,0]=4 3208 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [1,1,0,0,0,0|2,0,0]=4 3209 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3210 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,1,0,0,0,0|2,0,0]=4 3211 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3212 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|2,0,0]=4 3213 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,1,0,0,0,0|2,0,0]=4 3214 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|2,0,0]=4 3215 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 3216 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 3217 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|2,0,0]=4 3218 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 3219 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,1,0,0,0,0|2,0,0]=4 3220 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|2,0,0]=4 3221 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|2,0,0]=4 3222 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|2,0,0]=4 3223 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|2,0,0]=4 3224 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,1,0,0,0,0|2,0,0]=4 3225 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|2,0,0]=4 3226 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 3227 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 3228 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 3229 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,1,0,0,0,0|2,0,0]=4 3230 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,1,0,0,0,0|2,0,0]=4 3231 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,1,0,0,0,0|2,0,0]=4 3232 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,1,0,0,0,0|2,0,0]=4 3233 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,1,0,0,0,0|2,0,0]=4 3234 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,1,0,0,0,0|2,0,0]=4 3235 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 3236 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 3237 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 3238 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 3239 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 3240 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 3241 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 3242 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 3243 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 3244 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 3245 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 3246 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 3247 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,1,0,0,0,0|2,0,0]=4 3248 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,1,0,0,0,0|2,0,0]=4 3249 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3250 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3251 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3252 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3253 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3254 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3255 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3256 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,1,0,0,0,0|2,0,0]=4 3257 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3258 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3259 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3260 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,1,0,0,0,0|2,0,0]=4 3261 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3262 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3263 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3264 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3265 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3266 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3267 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3268 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,1,0,0,0,0|2,0,0]=4 3269 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,1,0,0,0,0|2,0,0]=4 3270 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,1,0,0,0,0|2,0,0]=4 3271 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|2,0,0]=4 3272 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|2,0,0]=4 3273 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|2,0,0]=4 3274 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|2,0,0]=4 3275 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|2,0,0]=4 3276 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|2,0,0]=4 3277 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|2,0,0]=4 3278 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|2,0,0]=4 3279 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|2,0,0]=4 3280 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|2,0,0]=4 3281 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,1,0,0,0,0|2,0,0]=4 3282 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,1,0,0,0,0|2,0,0]=4 3283 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,1,0,0,0,0|2,0,0]=4 3284 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,1,0,0,0,0|2,0,0]=4 3285 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,1,0,0,0,0|2,0,0]=4 3286 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,1,0,0,0,0|2,0,0]=4 3287 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,1,0,0,0,0|2,0,0]=4 3288 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,1,0,0,0,0|1,0,0]=3 3289 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,1,0,0,0,0|2,0,0]=4 3290 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,1,0,0,0,0|2,0,0]=4 3291 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|2,0,0]=4 3292 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|2,0,0]=4 3293 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,1,0,0,0,0|2,0,0]=4 3294 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,1,0,0,0,0|2,0,0]=4 3295 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|2,0,0]=4 3296 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,1,0,0,0,0|2,0,0]=4 3297 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|2,0,0]=4 3298 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|2,0,0]=4 3299 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,1,0,0,0,0|2,0,0]=4 3300 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,1,0,0,0,0|2,0,0]=4 3301 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [1,1,0,0,0,0|2,0,0]=4 3302 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [1,1,0,0,0,0|2,0,0]=4 3303 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [1,1,0,0,0,0|2,0,0]=4 3304 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [1,1,0,0,0,0|2,0,0]=4 3305 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [1,1,0,0,0,0|1,0,0]=3 3306 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [1,1,0,0,0,0|1,0,0]=3 3307 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [1,1,0,0,0,0|1,0,0]=3 3308 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,1,0,0,0,0|2,0,0]=4 3309 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|2,0,0]=4 3310 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3311 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3312 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3313 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3314 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,1,0,0,0,0|2,0,0]=4 3315 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,1,0,0,0,0|2,0,0]=4 3316 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3317 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3318 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3319 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3320 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,1,0,0,0,0|2,0,0]=4 3321 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|2,0,0]=4 3322 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|2,0,0]=4 3323 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,1,0,0,0,0|2,0,0]=4 3324 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,1,0,0,0,0|2,0,0]=4 3325 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [1,1,0,0,0,0|2,0,0]=4 3326 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [1,1,0,0,0,0|2,0,0]=4 3327 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 3328 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 3329 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [1,1,0,0,0,0|2,0,0]=4 3330 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 3331 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 3332 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 3333 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 3334 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [1,1,0,0,0,0|2,0,0]=4 3335 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [1,1,0,0,0,0|2,0,0]=4 3336 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [1,1,0,0,0,0|2,0,0]=4 3337 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [1,1,0,0,0,0|2,0,0]=4 3338 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [1,1,0,0,0,0|1,0,0]=3 3339 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [1,1,0,0,0,0|1,0,0]=3 3340 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [1,1,0,0,0,0|1,0,0]=3 3341 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [1,1,0,0,0,0|1,0,0]=3 3342 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [1,1,0,0,0,0|1,0,0]=3 3343 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,1,0,0,0,0|2,0,0]=4 3344 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|2,0,0]=4 3345 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3346 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3347 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3348 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3349 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [1,1,0,0,0,0|2,0,0]=4 3350 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [1,1,0,0,0,0|2,0,0]=4 3351 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,1,0,0,0,0|2,0,0]=4 3352 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|2,0,0]=4 3353 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [1,1,0,0,0,0|2,0,0]=4 3354 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3355 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3356 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3357 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3358 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|2,0,0]=4 3359 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|2,0,0]=4 3360 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|2,0,0]=4 3361 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|2,0,0]=4 3362 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [1,1,0,0,0,0|2,0,0]=4 3363 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,1,0,0,0,0|2,0,0]=4 3364 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [1,1,0,0,0,0|2,0,0]=4 3365 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [1,1,0,0,0,0|2,0,0]=4 3366 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [1,1,0,0,0,0|2,0,0]=4 3367 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 3368 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 3369 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 3370 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 3371 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 3372 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 3373 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 3374 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 3375 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [1,1,0,0,0,0|1,0,1]=4 3376 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [1,1,0,0,0,0|2,0,0]=4 3377 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [1,1,0,0,0,0|1,0,0]=3 3378 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [1,1,0,0,0,0|1,0,0]=3 3379 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [1,1,0,0,0,0|2,0,0]=4 3380 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [1,1,0,0,0,0|1,0,0]=3 3381 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [1,1,0,0,0,0|2,0,0]=4 3382 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [1,1,0,0,0,0|2,0,0]=4 3383 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [1,1,0,0,0,0|2,0,0]=4 3384 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [1,1,0,0,0,0|2,0,0]=4 3385 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [1,1,0,0,0,0|1,0,0]=3 3386 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [1,1,0,0,0,0|2,0,0]=4 3387 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [1,1,0,0,0,0|2,0,0]=4 3388 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [1,1,0,0,0,0|2,0,0]=4 3389 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 3390 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 3391 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 3392 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 3393 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [1,1,0,0,0,0|1,0,0]=3 3394 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [1,1,0,0,0,0|1,0,0]=3 3395 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [1,1,0,0,0,0|2,0,0]=4 3396 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [1,1,0,0,0,0|2,0,0]=4 3397 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [1,1,0,0,0,0|2,0,0]=4 3398 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [1,1,0,0,0,0|2,0,0]=4 3399 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [1,1,0,0,0,0|2,0,0]=4 3400 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [1,1,0,0,0,0|2,0,0]=4 3401 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [1,1,0,0,0,0|2,0,0]=4 3402 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [1,1,0,0,0,0|2,0,0]=4 3403 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [1,1,0,0,0,0|2,0,0]=4 3404 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [1,1,0,0,0,0|2,0,0]=4 3405 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [1,1,0,0,0,0|2,0,0]=4 3406 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [1,1,0,0,0,0|2,0,0]=4 3407 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [1,1,0,0,0,0|2,0,0]=4 3408 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [1,1,0,0,0,0|2,0,0]=4 3409 B9R0.20 CCCCOC(C)(C)CC 7a_100000210227_100000210677 [1,1,0,0,0,0|1,0,1]=4 3410 B9R0.20 CCCCOC(C)(C)CC 7a_100000210230_100000210211 [1,1,0,0,0,0|1,0,1]=4 3411 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [1,1,0,0,0,0|2,0,0]=4 3412 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [1,1,0,0,0,0|2,0,0]=4 3413 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|1,0,0]=3 3414 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [1,1,0,0,0,0|2,0,0]=4 3415 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [1,1,0,0,0,0|2,0,0]=4 3416 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [1,1,0,0,0,0|1,0,1]=4 3417 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [1,1,0,0,0,0|2,0,0]=4 3418 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [1,1,0,0,0,0|2,0,0]=4 3419 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [1,1,0,0,0,0|2,0,0]=4 3420 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [1,1,0,0,0,0|2,0,0]=4 3421 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 3422 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 3423 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 3424 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 3425 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [1,1,0,0,0,0|2,0,0]=4 3426 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [1,1,0,0,0,0|2,0,0]=4 3427 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 3428 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 3429 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 3430 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 3431 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 3432 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 3433 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 3434 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 3435 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 3436 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 3437 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 3438 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [1,1,0,0,0,0|2,0,0]=4 3439 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [1,1,0,0,0,0|2,0,0]=4 3440 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [1,1,0,0,0,0|2,0,0]=4 3441 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [1,1,0,0,0,0|2,0,0]=4 3442 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [1,1,0,0,0,0|2,0,0]=4 3443 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [1,1,0,0,0,0|2,0,0]=4 3444 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [1,1,0,0,0,0|1,0,0]=3 3445 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [1,1,0,0,0,0|1,0,0]=3 3446 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [1,1,0,0,0,0|2,0,0]=4 3447 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 3448 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 3449 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 3450 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 3451 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [1,1,0,0,0,0|2,0,0]=4 3452 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [1,1,0,0,0,0|1,0,1]=4 3453 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [1,1,0,0,0,0|2,0,0]=4 3454 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [1,1,0,0,0,0|1,0,1]=4 3455 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [1,1,0,0,0,0|1,0,1]=4 3456 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [1,1,0,0,0,0|2,0,0]=4 3457 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [1,1,0,0,0,0|2,0,0]=4 3458 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [1,1,0,0,0,0|1,0,0]=3 3459 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [1,1,0,0,0,0|1,0,0]=3 3460 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [1,1,0,0,0,0|2,0,0]=4 3461 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [1,1,0,0,0,0|2,0,0]=4 3462 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [1,1,0,0,0,0|2,0,0]=4 3463 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [1,1,0,0,0,0|2,0,0]=4 3464 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [1,1,0,0,0,0|1,0,1]=4 3465 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [1,1,0,0,0,0|1,0,1]=4 3466 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [1,1,0,0,0,0|2,0,0]=4 3467 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [1,1,0,0,0,0|2,0,0]=4 3468 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [1,1,0,0,0,0|2,0,0]=4 3469 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [1,1,0,0,0,0|2,0,0]=4 3470 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [1,1,0,0,0,0|2,0,0]=4 3471 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [1,1,0,0,0,0|2,0,0]=4 3472 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [1,1,0,0,0,0|1,0,1]=4 3473 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [1,1,0,0,0,0|2,0,0]=4 3474 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [1,1,0,0,0,0|2,0,0]=4 3475 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 3476 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 3477 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 3478 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 3479 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [1,1,0,0,0,0|1,0,1]=4 3480 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,1,0,0,0,0|1,0,1]=4 3481 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,1,0,0,0,0|1,0,1]=4 3482 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [1,1,0,0,0,0|1,0,1]=4 3483 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [1,1,0,0,0,0|1,0,0]=3 3484 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [1,1,0,0,0,0|1,0,0]=3 3485 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [1,1,0,0,0,0|2,0,0]=4 3486 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [1,1,0,0,0,0|1,0,0]=3 3487 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [1,1,0,0,0,0|2,0,0]=4 3488 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [1,1,0,0,0,0|2,0,0]=4 3489 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [1,1,0,0,0,0|2,0,0]=4 3490 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [1,1,0,0,0,0|2,0,0]=4 3491 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 3492 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 3493 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 3494 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 3495 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [1,1,0,0,0,0|1,0,0]=3 3496 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [1,1,0,0,0,0|1,0,0]=3 3497 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [1,1,0,0,0,0|2,0,0]=4 3498 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [1,1,0,0,0,0|2,0,0]=4 3499 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [1,1,0,0,0,0|2,0,0]=4 3500 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [1,1,0,0,0,0|2,0,0]=4 3501 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [1,1,0,0,0,0|2,0,0]=4 3502 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [1,1,0,0,0,0|1,0,1]=4 3503 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [1,1,0,0,0,0|1,0,1]=4 3504 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [1,1,0,0,0,0|1,0,1]=4 3505 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [1,1,0,0,0,0|1,0,1]=4 3506 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [1,1,0,0,0,0|1,0,1]=4 3507 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [1,1,0,0,0,0|2,0,0]=4 3508 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [1,1,0,0,0,0|2,0,0]=4 3509 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [1,1,0,0,0,0|2,0,0]=4 3510 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [1,1,0,0,0,0|2,0,0]=4 3511 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [1,1,0,0,0,0|2,0,0]=4 3512 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [1,1,0,0,0,0|2,0,0]=4 3513 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [1,1,0,0,0,0|2,0,0]=4 3514 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [1,1,0,0,0,0|0,0,2]=4 3515 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [1,1,0,0,0,0|1,0,1]=4 3516 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [1,1,0,0,0,0|1,0,1]=4 3517 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [1,1,0,0,0,0|1,0,1]=4 3518 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [1,1,0,0,0,0|1,0,1]=4 3519 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [1,1,0,0,0,0|1,0,1]=4 3520 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [1,1,0,0,0,0|1,0,1]=4 3521 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [1,1,0,0,0,0|1,0,1]=4 3522 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [1,1,0,0,0,0|1,0,1]=4 3523 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [1,1,0,0,0,0|1,0,1]=4 3524 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [1,1,0,0,0,0|0,0,2]=4 3525 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [1,1,0,0,0,0|0,0,2]=4 3526 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [1,1,0,0,0,0|0,0,2]=4 3527 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [1,1,0,0,0,0|0,0,2]=4 3528 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [1,1,0,0,0,0|0,0,2]=4 3529 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [1,1,0,0,0,0|0,0,2]=4 3530 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [1,1,0,0,0,0|0,0,2]=4 3531 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|1,0,1]=4 3532 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|1,0,1]=4 3533 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [1,1,0,0,0,0|1,0,1]=4 3534 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 3535 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 3536 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 3537 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 3538 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [1,1,0,0,0,0|1,0,1]=4 3539 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [1,1,0,0,0,0|1,0,1]=4 3540 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [1,1,0,0,0,0|0,0,2]=4 3541 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [1,1,0,0,0,0|0,0,2]=4 3542 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [1,1,0,0,0,0|1,0,1]=4 3543 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [1,1,0,0,0,0|1,0,1]=4 3544 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [1,1,0,0,0,0|1,0,1]=4 3545 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [1,1,0,0,0,0|1,0,1]=4 3546 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [1,1,0,0,0,0|1,0,1]=4 3547 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [1,1,0,0,0,0|1,0,1]=4 3548 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [1,1,0,0,0,0|1,0,1]=4 3549 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,1,0,0,0,0|1,0,1]=4 3550 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [1,1,0,0,0,0|1,0,1]=4 3551 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [1,1,0,0,0,0|0,0,2]=4 3552 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [1,1,0,0,0,0|1,0,1]=4 3553 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,1,0,0,0,0|1,0,0]=3 3554 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|1,0,0]=3 3555 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|1,0,0]=3 3556 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,1,0,0,0,0|1,0,0]=3 3557 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,1,0,0,0,0|2,0,0]=4 3558 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,1,0,0,0,0|2,0,0]=4 3559 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [1,1,0,0,0,0|1,0,0]=3 3560 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,1,0,0,0,0|1,0,0]=3 3561 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [1,1,0,0,0,0|1,0,0]=3 3562 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [1,1,0,0,0,0|1,0,0]=3 3563 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [1,1,0,0,0,0|1,0,0]=3 3564 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [1,1,0,0,0,0|1,0,0]=3 3565 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [1,1,0,0,0,0|1,1,0]=4 3566 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [1,1,0,0,0,0|1,1,0]=4 3567 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,1,0,0,0,0|1,1,0]=4 3568 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,1,0,0,0,0|1,1,0]=4 3569 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [1,1,0,0,0,0|1,1,0]=4 3570 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [1,1,0,0,0,0|1,1,0]=4 3571 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [1,1,0,0,0,0|1,1,0]=4 3572 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [1,1,0,0,0,0|1,1,0]=4 3573 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,1,0,0,0,0|1,0,0]=3 3574 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,1,0,0,0,0|1,0,0]=3 3575 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,1,0,0,0,0|1,0,0]=3 3576 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,1,0,0,0,0|1,0,0]=3 3577 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,1,0,0,0,0|1,0,0]=3 3578 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,1,0,0,0,0|1,0,0]=3 3579 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,1,0,0,0,0|1,0,0]=3 3580 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,1,0,0,0,0|1,0,0]=3 3581 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,1,0,0,0,0|1,0,0]=3 3582 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [1,1,0,0,0,0|2,0,0]=4 3583 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [1,1,0,0,0,0|2,0,0]=4 3584 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [1,1,0,0,0,0|2,0,0]=4 3585 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [1,1,0,0,0,0|2,0,0]=4 3586 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [1,1,0,0,0,0|1,0,0]=3 3587 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [1,1,0,0,0,0|1,0,1]=4 3588 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [1,1,0,0,0,0|1,0,1]=4 3589 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [1,1,0,0,0,0|1,0,1]=4 3590 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [1,1,0,0,0,0|1,0,1]=4 3591 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [1,1,0,0,0,0|1,0,1]=4 3592 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [1,1,0,0,0,0|1,0,1]=4 3593 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [1,1,0,0,0,0|1,0,1]=4 3594 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [1,1,0,0,0,0|1,0,1]=4 3595 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,1]=4 3596 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [1,1,0,0,0,0|1,0,1]=4 3597 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [1,1,0,0,0,0|1,0,1]=4 3598 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [1,1,0,0,0,0|1,0,1]=4 3599 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [1,1,0,0,0,0|1,0,1]=4 3600 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [1,1,0,0,0,0|1,0,1]=4 3601 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,1,0,0,0,0|1,0,1]=4 3602 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [1,1,0,0,0,0|1,0,1]=4 3603 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,1,0,0,0,0|1,0,0]=3 3604 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [1,1,0,0,0,0|2,0,0]=4 3605 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,1,0,0,0,0|2,0,0]=4 3606 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,1,0,0,0,0|2,0,0]=4 3607 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,1,0,0,0,0|2,0,0]=4 3608 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|1,0,0]=3 3609 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|1,0,0]=3 3610 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,1,0,0,0,0|2,0,0]=4 3611 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|1,0,0]=3 3612 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,1,0,0,0,0|2,0,0]=4 3613 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,1,0,0,0,0|2,0,0]=4 3614 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,1,0,0,0,0|2,0,0]=4 3615 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,1,0,0,0,0|2,0,0]=4 3616 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 3617 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 3618 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 3619 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 3620 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,1,0,0,0,0|1,0,0]=3 3621 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,1,0,0,0,0|1,0,0]=3 3622 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,1,0,0,0,0|2,0,0]=4 3623 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,1,0,0,0,0|2,0,0]=4 3624 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,1,0,0,0,0|2,0,0]=4 3625 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,1,0,0,0,0|2,0,0]=4 3626 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,1,0,0,0,0|2,0,0]=4 3627 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,1,0,0,0,0|2,0,0]=4 3628 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|1,0,1]=4 3629 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|1,0,1]=4 3630 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|1,0,1]=4 3631 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|1,0,1]=4 3632 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|1,0,1]=4 3633 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,1,0,0,0,0|1,0,0]=3 3634 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [1,1,0,0,0,0|2,0,0]=4 3635 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [1,1,0,0,0,0|2,0,0]=4 3636 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [1,1,0,0,0,0|2,0,0]=4 3637 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [1,1,0,0,0,0|2,0,0]=4 3638 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [1,1,0,0,0,0|2,0,0]=4 3639 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [1,1,0,0,0,0|2,0,0]=4 3640 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,1,0,0,0,0|1,0,0]=3 3641 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [1,1,0,0,0,0|1,0,0]=3 3642 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [1,1,0,0,0,0|2,0,0]=4 3643 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [1,1,0,0,0,0|2,0,0]=4 3644 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [1,1,0,0,0,0|2,0,0]=4 3645 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,1,0,0,0,0|0,0,0]=2 3646 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,1,0,0,0,0|0,0,0]=2 3647 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,1,0,0,0,0|0,0,0]=2 3648 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,1,0,0,0,0|0,0,0]=2 3649 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [1,1,0,0,0,0|1,0,0]=3 3650 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,1,0,0,0,0|0,0,0]=2 3651 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [1,1,0,0,0,0|1,0,0]=3 3652 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [1,1,0,0,0,0|1,0,0]=3 3653 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [1,1,0,0,0,0|1,0,0]=3 3654 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [1,1,0,0,0,0|1,0,0]=3 3655 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [1,1,0,0,0,0|1,0,0]=3 3656 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [1,1,0,0,0,0|1,0,0]=3 3657 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [1,1,0,0,0,0|1,0,0]=3 3658 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,1,0,0,0,0|1,0,0]=3 3659 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,1,0,0,0,0|1,0,0]=3 3660 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 3661 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 3662 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,1,0,0,0,0|0,0,2]=4 3663 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,1,0,0,0,0|0,0,2]=4 3664 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,1,0,0,0,0|0,0,2]=4 3665 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,1,0,0,0,0|0,0,2]=4 3666 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [1,1,0,0,0,0|2,0,0]=4 3667 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [1,1,0,0,0,0|2,0,0]=4 3668 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 3669 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 3670 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,1,0,0,0,0|1,0,1]=4 3671 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 3672 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 3673 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,1,0,0,0,0|0,0,2]=4 3674 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,1,0,0,0,0|0,0,2]=4 3675 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,1,0,0,0,0|0,1,0]=3 3676 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,1,0,0,0,0|0,1,0]=3 3677 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,1,0,0,0,0|0,1,0]=3 3678 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [1,1,0,0,0,0|1,1,0]=4 3679 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [1,1,0,0,0,0|1,1,0]=4 3680 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [1,1,0,0,0,0|1,1,0]=4 3681 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [1,1,0,0,0,0|1,1,0]=4 3682 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [1,1,0,0,0,0|1,1,0]=4 3683 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [1,1,0,0,0,0|1,1,0]=4 3684 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [1,1,0,0,0,0|1,1,0]=4 3685 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [1,1,0,0,0,0|1,1,0]=4 3686 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [1,1,0,0,0,0|1,1,0]=4 3687 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,1,0,0,0,0|2,0,0]=4 3688 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,1,0,0,0,0|2,0,0]=4 3689 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,1,0,0,0,0|1,0,0]=3 3690 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,1,0,0,0,0|1,0,0]=3 3691 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,1,0,0,0,0|2,0,0]=4 3692 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,1,0,0,0,0|2,0,0]=4 3693 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,1,0,0,0,0|2,0,0]=4 3694 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,1,0,0,0,0|2,0,0]=4 3695 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,1,0,0,0,0|2,0,0]=4 3696 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,1,0,0,0,0|2,0,0]=4 3697 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,1,0,0,0,0|2,0,0]=4 3698 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,1,0,0,0,0|1,0,0]=3 3699 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,1,0,0,0,0|2,0,0]=4 3700 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,1,0,0,0,0|2,0,0]=4 3701 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,1,0,0,0,0|2,0,0]=4 3702 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,1,0,0,0,0|2,0,0]=4 3703 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,1,0,0,0,0|1,0,0]=3 3704 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [1,1,0,0,0,0|2,0,0]=4 3705 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|1,0,0]=3 3706 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,1,0,0,0,0|1,0,0]=3 3707 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,1,0,0,0,0|2,0,0]=4 3708 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,1,0,0,0,0|2,0,0]=4 3709 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,1,0,0,0,0|1,0,0]=3 3710 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,1,0,0,0,0|1,0,0]=3 3711 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,1,0,0,0,0|1,0,0]=3 3712 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,1,0,0,0,0|1,0,0]=3 3713 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,1,0,0,0,0|1,0,0]=3 3714 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,1,0,0,0,0|1,0,0]=3 3715 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,1,0,0,0,0|1,0,0]=3 3716 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,1,0,0,0,0|1,0,0]=3 3717 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,1,0,0,0,0|2,0,0]=4 3718 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,1,0,0,0,0|2,0,0]=4 3719 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,1,0,0,0,0|2,0,0]=4 3720 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,1,0,0,0,0|2,0,0]=4 3721 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,1,0,0,0,0|2,0,0]=4 3722 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,1,0,0,0,0|2,0,0]=4 3723 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,1,0,0,0,0|2,0,0]=4 3724 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,1,0,0,0,0|0,0,0]=2 3725 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,1,0,0,0,0|1,0,0]=3 3726 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,1,0,0,0,0|1,0,0]=3 3727 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,1,0,0,0,0|1,0,1]=4 3728 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,1,0,0,0,0|1,0,1]=4 3729 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,1,0,0,0,0|1,0,1]=4 3730 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|1,0,1]=4 3731 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|1,0,1]=4 3732 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [1,1,0,0,0,0|1,1,0]=4 3733 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [1,1,0,0,0,0|1,1,0]=4 3734 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,1,0,0,0,0|2,0,0]=4 3735 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,1,0,0,0,0|2,0,0]=4 3736 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,1,0,0,0,0|2,0,0]=4 3737 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,1,0,0,0,0|2,0,0]=4 3738 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,1,0,0,0,0|1,0,0]=3 3739 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,1,0,0,0,0|1,0,0]=3 3740 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,1,0,0,0,0|1,0,0]=3 3741 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,1,0,0,0,0|1,0,0]=3 3742 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [1,1,0,0,0,0|1,0,0]=3 3743 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [1,1,0,0,0,0|1,0,0]=3 3744 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [1,1,0,0,0,0|2,0,0]=4 3745 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [1,1,0,0,0,0|2,0,0]=4 3746 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [1,1,0,0,0,0|2,0,0]=4 3747 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [1,1,0,0,0,0|2,0,0]=4 3748 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [1,1,0,0,0,0|2,0,0]=4 3749 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [1,1,0,0,0,0|2,0,0]=4 3750 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,1,0,0,0,0|1,0,0]=3 3751 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,1,0,0,0,0|1,0,0]=3 3752 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,1,0,0,0,0|1,0,1]=4 3753 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,1,0,0,0,0|1,0,1]=4 3754 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,1,0,0,0,0|1,0,1]=4 3755 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [1,1,0,0,0,0|1,0,1]=4 3756 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [1,1,0,0,0,0|1,0,1]=4 3757 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,1,0,0,0,0|2,0,0]=4 3758 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [1,1,0,0,0,0|2,0,0]=4 3759 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [1,1,0,0,0,0|2,0,0]=4 3760 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [1,1,0,0,0,0|2,0,0]=4 3761 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [1,1,0,0,0,0|2,0,0]=4 3762 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [1,1,0,0,0,0|2,0,0]=4 3763 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [1,1,0,0,0,0|2,0,0]=4 3764 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [1,1,0,0,0,0|2,0,0]=4 3765 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [1,1,0,0,0,0|2,0,0]=4 3766 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [1,1,0,0,0,0|2,0,0]=4 3767 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [1,1,0,0,0,0|2,0,0]=4 3768 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [1,1,0,0,0,0|2,0,0]=4 3769 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [1,1,0,0,0,0|2,0,0]=4 3770 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [1,1,0,0,0,0|2,0,0]=4 3771 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [1,1,0,0,0,0|2,0,0]=4 3772 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [1,1,0,0,0,0|2,0,0]=4 3773 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,1,0,0,0,0|2,0,0]=4 3774 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,1,0,0,0,0|2,0,0]=4 3775 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,1,0,0,0,0|2,0,0]=4 3776 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,1,0,0,0,0|2,0,0]=4 3777 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,1,0,0,0,0|2,0,0]=4 3778 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,1,0,0,0,0|2,0,0]=4 3779 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [1,1,0,0,0,0|2,0,0]=4 3780 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [1,1,0,0,0,0|2,0,0]=4 3781 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [1,1,0,0,0,0|2,0,0]=4 3782 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [1,1,0,0,0,0|2,0,0]=4 3783 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [1,1,0,0,0,0|2,0,0]=4 3784 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [1,1,0,0,0,0|2,0,0]=4 3785 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [1,1,0,0,0,0|2,0,0]=4 3786 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [1,1,0,0,0,0|2,0,0]=4 3787 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [1,1,0,0,0,0|2,0,0]=4 3788 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [1,1,0,0,0,0|2,0,0]=4 3789 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [1,1,0,0,0,0|2,0,0]=4 3790 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [1,1,0,0,0,0|2,0,0]=4 3791 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [1,1,0,0,0,0|2,0,0]=4 3792 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,1,0,0,0,0|2,0,0]=4 3793 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,1,0,0,0,0|2,0,0]=4 3794 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,1,0,0,0,0|2,0,0]=4 3795 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [1,1,0,0,0,0|1,0,1]=4 3796 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [1,1,0,0,0,0|2,0,0]=4 3797 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [1,1,0,0,0,0|2,0,0]=4 3798 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [1,1,0,0,0,0|2,0,0]=4 3799 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,1,0,0,0,0|2,0,0]=4 3800 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,1,0,0,0,0|2,0,0]=4 3801 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,1,0,0,0,0|2,0,0]=4 3802 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,1,0,0,0,0|2,0,0]=4 3803 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,1,0,0,0,0|2,0,0]=4 3804 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,1,0,0,0,0|2,0,0]=4 3805 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [1,1,0,0,0,0|2,0,0]=4 3806 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [1,1,0,0,0,0|2,0,0]=4 3807 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [1,1,0,0,0,0|2,0,0]=4 3808 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [1,1,0,0,0,0|2,0,0]=4 3809 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [1,1,0,0,0,0|2,0,0]=4 3810 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [1,1,0,0,0,0|2,0,0]=4 3811 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [1,1,0,0,0,0|2,0,0]=4 3812 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [1,1,0,0,0,0|2,0,0]=4 3813 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [1,1,0,0,0,0|2,0,0]=4 3814 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [1,1,0,0,0,0|2,0,0]=4 3815 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [1,1,0,0,0,0|2,0,0]=4 3816 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [1,1,0,0,0,0|2,0,0]=4 3817 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [1,1,0,0,0,0|2,0,0]=4 3818 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [1,1,0,0,0,0|2,0,0]=4 3819 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,1,0,0,0,0|1,0,0]=3 3820 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,1,0,0,0,0|2,0,0]=4 3821 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,1,0,0,0,0|2,0,0]=4 3822 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,1,0,0,0,0|2,0,0]=4 3823 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [1,1,0,0,0,0|1,0,0]=3 3824 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [1,1,0,0,0,0|1,0,0]=3 3825 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [1,1,0,0,0,0|1,0,1]=4 3826 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [1,1,0,0,0,0|2,0,0]=4 3827 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [1,1,0,0,0,0|2,0,0]=4 3828 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [1,1,0,0,0,0|2,0,0]=4 3829 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [1,1,0,0,0,0|2,0,0]=4 3830 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [1,1,0,0,0,0|2,0,0]=4 3831 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [1,1,0,0,0,0|1,0,0]=3 3832 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [1,1,0,0,0,0|1,0,0]=3 3833 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [1,1,0,0,0,0|1,0,1]=4 3834 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [1,1,0,0,0,0|1,0,1]=4 3835 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [1,1,0,0,0,0|1,0,1]=4 3836 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,1,0,0,0,0|2,0,0]=4 3837 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,1,0,0,0,0|1,0,0]=3 3838 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,1,0,0,0,0|1,0,0]=3 3839 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [1,1,0,0,0,0|2,0,0]=4 3840 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,1,0,0,0,0|1,0,0]=3 3841 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,1,0,0,0,0|1,0,0]=3 3842 B9R0.50 C#CC(CC)OCCCC 34a_100000758843_100000210210 [1,1,0,0,0,0|1,0,1]=4 3843 B9R0.50 C#CC(CC)OCCCC 7a_100000758843_100000210211 [1,1,0,0,0,0|1,0,1]=4 3844 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [1,1,0,0,0,0|1,0,1]=4 3845 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [1,1,0,0,0,0|1,0,1]=4 3846 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [1,1,0,0,0,0|1,0,1]=4 3847 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [1,1,0,0,0,0|1,0,1]=4 3848 B9R0.2 C#CCCCOCC(C)O 34a_100000215630_100011218427 [1,1,0,0,0,0|0,0,2]=4 3849 B9R0.2 C#CCCCOCC(C)O 7a_100000215630_100011218427 [1,1,0,0,0,0|0,0,2]=4 3850 B9R0.2 C#CCCCOC[C@@H](C)O 34a_100000215630_100009817552 [1,1,0,0,0,0|0,0,2]=4 3851 B9R0.2 C#CCCCOC[C@@H](C)O 7a_100000215630_100009817552 [1,1,0,0,0,0|0,0,2]=4 3852 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [1,1,0,0,0,0|0,0,2]=4 3853 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [1,1,0,0,0,0|0,0,2]=4 3854 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [1,1,0,0,0,0|0,0,2]=4 3855 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [1,1,0,0,0,0|0,0,2]=4 3856 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [1,1,0,0,0,0|0,0,2]=4 3857 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [1,1,0,0,0,0|0,0,2]=4 3858 B9R0.2 CC#CCCOCC(C)O 34a_100000750427_100011218427 [1,1,0,0,0,0|0,0,2]=4 3859 B9R0.2 CC#CCCOC[C@@H](C)O 34a_100000750427_100009817552 [1,1,0,0,0,0|0,0,2]=4 3860 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [1,1,0,0,0,0|1,0,1]=4 3861 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,1,0,0,0,0|1,0,1]=4 3862 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [1,1,0,0,0,0|1,0,1]=4 3863 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [1,1,0,0,0,0|1,0,1]=4 3864 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [1,1,0,0,0,0|1,0,1]=4 3865 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [1,1,0,0,0,0|1,0,1]=4 3866 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [1,1,0,0,0,0|1,0,1]=4 3867 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [1,1,0,0,0,0|1,0,1]=4 3868 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [1,1,0,0,0,0|1,0,1]=4 3869 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,1,0,0,0,0|1,0,1]=4 3870 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,1,0,0,0,0|1,0,1]=4 3871 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [1,1,0,0,0,0|1,0,1]=4 3872 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [1,1,0,0,0,0|1,0,1]=4 3873 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [1,1,0,0,0,0|1,0,1]=4 3874 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,1,0,0,0,0|1,0,1]=4 3875 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,1,0,0,0,0|1,0,1]=4 3876 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,1,0,0,0,0|1,0,1]=4 3877 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,1,0,0,0,0|1,0,1]=4 3878 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,1,0,0,0,0|1,0,1]=4 3879 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,1,0,0,0,0|1,0,1]=4 3880 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,1,0,0,0,0|1,0,1]=4 3881 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,1,0,0,0,0|1,0,1]=4 3882 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 3883 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|1,0,1]=4 3884 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 3885 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,1,0,0,0,0|0,0,1]=3 3886 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,1,0,0,0,0|0,0,1]=3 3887 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,1,0,0,0,0|0,0,1]=3 3888 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,1,0,0,0,0|0,0,1]=3 3889 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,1,0,0,0,0|0,0,1]=3 3890 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,1,0,0,0,0|0,0,1]=3 3891 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,1,0,0,0,0|0,0,1]=3 3892 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,1,0,0,0,0|0,1,1]=4 3893 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,1,0,0,0,0|0,1,1]=4 3894 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,1,0,0,0,0|0,1,1]=4 3895 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,1,0,0,0,0|0,1,1]=4 3896 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|0,0,2]=4 3897 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|0,0,2]=4 3898 B9R0.2 CCC#CCOCC(C)O 34a_100000032950_100011218427 [1,1,0,0,0,0|0,0,2]=4 3899 B9R0.2 CCC#CCOC[C@@H](C)O 34a_100000032950_100009817552 [1,1,0,0,0,0|0,0,2]=4 3900 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|1,0,1]=4 3901 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|1,0,1]=4 3902 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,1]=4 3903 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|1,0,1]=4 3904 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|1,0,1]=4 3905 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|1,0,1]=4 3906 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|1,0,1]=4 3907 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|1,0,1]=4 3908 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|1,0,1]=4 3909 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|0,0,1]=3 3910 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|0,0,1]=3 3911 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|1,0,1]=4 3912 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|1,0,1]=4 3913 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|0,0,1]=3 3914 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|0,0,1]=3 3915 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|0,1,1]=4 3916 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|0,1,1]=4 3917 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|0,1,1]=4 3918 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|0,1,1]=4 3919 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,1,0,0,0,0|1,0,1]=4 3920 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,1,0,0,0,0|1,0,1]=4 3921 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,1,0,0,0,0|1,0,1]=4 3922 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [1,1,0,0,0,0|2,0,0]=4 3923 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,1,0,0,0,0|1,0,1]=4 3924 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,1,0,0,0,0|1,0,1]=4 3925 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,1,0,0,0,0|1,0,1]=4 3926 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,1,0,0,0,0|1,0,1]=4 3927 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,1,0,0,0,0|1,0,1]=4 3928 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,1,0,0,0,0|1,0,1]=4 3929 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,1,0,0,0,0|1,0,1]=4 3930 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,1,0,0,0,0|1,0,1]=4 3931 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|0,0,1]=3 3932 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|0,0,1]=3 3933 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,1]=4 3934 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [1,1,0,0,0,0|1,0,1]=4 3935 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [1,1,0,0,0,0|1,0,1]=4 3936 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,1,0,0,0,0|1,0,1]=4 3937 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,1,0,0,0,0|1,0,1]=4 3938 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [1,1,0,0,0,0|1,0,1]=4 3939 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [1,1,0,0,0,0|1,0,1]=4 3940 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,1,0,0,0,0|0,1,1]=4 3941 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,1,0,0,0,0|0,1,1]=4 3942 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,1]=4 3943 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|1,0,1]=4 3944 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|1,0,1]=4 3945 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|1,0,1]=4 3946 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|1,0,1]=4 3947 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|1,0,1]=4 3948 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|1,0,1]=4 3949 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|1,0,1]=4 3950 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|1,0,1]=4 3951 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [1,1,0,0,0,0|1,0,1]=4 3952 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,1,0,0,0,0|1,0,1]=4 3953 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,1,0,0,0,0|1,0,1]=4 3954 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,1,0,0,0,0|1,0,1]=4 3955 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,1,0,0,0,0|1,0,1]=4 3956 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,1,0,0,0,0|1,0,1]=4 3957 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [1,1,0,0,0,0|1,0,1]=4 3958 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|0,0,1]=3 3959 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|0,0,1]=3 3960 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [1,1,0,0,0,0|1,0,1]=4 3961 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [1,1,0,0,0,0|1,0,1]=4 3962 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|0,0,1]=3 3963 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|0,0,1]=3 3964 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|0,1,1]=4 3965 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|0,1,1]=4 3966 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|0,1,1]=4 3967 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|0,1,1]=4 3968 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,1,0,0,0,0|1,0,1]=4 3969 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,1,0,0,0,0|1,0,1]=4 3970 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,1,0,0,0,0|1,0,1]=4 3971 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,1,0,0,0,0|1,0,1]=4 3972 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [1,1,0,0,0,0|1,0,1]=4 3973 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,1,0,0,0,0|1,0,1]=4 3974 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,1,0,0,0,0|1,0,1]=4 3975 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,1,0,0,0,0|1,0,1]=4 3976 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [1,1,0,0,0,0|1,0,1]=4 3977 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,1,0,0,0,0|0,0,1]=3 3978 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,1,0,0,0,0|0,0,1]=3 3979 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [1,1,0,0,0,0|1,0,1]=4 3980 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [1,1,0,0,0,0|1,0,1]=4 3981 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,1,0,0,0,0|0,0,1]=3 3982 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,1,0,0,0,0|0,0,1]=3 3983 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,1,0,0,0,0|0,1,1]=4 3984 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,1,0,0,0,0|0,1,1]=4 3985 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,1,0,0,0,0|0,1,1]=4 3986 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,1,0,0,0,0|0,1,1]=4 3987 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [1,1,0,0,0,0|1,0,1]=4 3988 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [1,1,0,0,0,0|1,0,1]=4 3989 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [1,1,0,0,0,0|1,0,1]=4 3990 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,1,0,0,0,0|0,0,1]=3 3991 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,1,0,0,0,0|0,0,1]=3 3992 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [1,1,0,0,0,0|1,0,1]=4 3993 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [1,1,0,0,0,0|1,0,1]=4 3994 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [1,1,0,0,0,0|1,0,1]=4 3995 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [1,1,0,0,0,0|1,0,1]=4 3996 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [1,1,0,0,0,0|1,0,1]=4 3997 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [1,1,0,0,0,0|1,0,1]=4 3998 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [1,1,0,0,0,0|1,0,1]=4 3999 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [1,1,0,0,0,0|1,0,1]=4 4000 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [1,1,0,0,0,0|0,0,1]=3 4001 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [1,1,0,0,0,0|1,0,1]=4 4002 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [1,1,0,0,0,0|1,0,1]=4 4003 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [1,1,0,0,0,0|0,0,1]=3 4004 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [1,1,0,0,0,0|0,1,1]=4 4005 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [1,1,0,0,0,0|0,1,1]=4 4006 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [1,1,0,0,0,0|0,1,1]=4 4007 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [1,1,0,0,0,0|0,1,1]=4 4008 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [1,1,0,0,0,0|1,0,1]=4 4009 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [1,1,0,0,0,0|1,0,1]=4 4010 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [1,1,0,0,0,0|1,0,1]=4 4011 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [1,1,0,0,0,0|1,0,1]=4 4012 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [1,1,0,0,0,0|1,0,1]=4 4013 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [1,1,0,0,0,0|0,0,1]=3 4014 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [1,1,0,0,0,0|0,0,1]=3 4015 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [1,1,0,0,0,0|0,0,1]=3 4016 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [1,1,0,0,0,0|0,0,1]=3 4017 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [1,1,0,0,0,0|1,0,1]=4 4018 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [1,1,0,0,0,0|1,0,1]=4 4019 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [1,1,0,0,0,0|1,0,1]=4 4020 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,1,0,0,0,0|1,0,1]=4 4021 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [1,1,0,0,0,0|1,0,1]=4 4022 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,1,0,0,0,0|1,0,1]=4 4023 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 4024 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 4025 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,1,0,0,0,0|0,0,1]=3 4026 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,1,0,0,0,0|0,0,1]=3 4027 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,1,0,0,0,0|0,0,1]=3 4028 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,1,0,0,0,0|0,0,1]=3 4029 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,1,0,0,0,0|0,0,1]=3 4030 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,1,0,0,0,0|0,0,1]=3 4031 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,1,0,0,0,0|0,0,1]=3 4032 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,1,0,0,0,0|0,1,1]=4 4033 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,1,0,0,0,0|0,1,1]=4 4034 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,1,0,0,0,0|0,1,1]=4 4035 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,1,0,0,0,0|0,1,1]=4 4036 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|1,0,1]=4 4037 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|1,0,1]=4 4038 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [1,1,0,0,0,0|1,0,1]=4 4039 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [1,1,0,0,0,0|1,0,1]=4 4040 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [1,1,0,0,0,0|1,0,1]=4 4041 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [1,1,0,0,0,0|1,0,1]=4 4042 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [1,1,0,0,0,0|1,0,1]=4 4043 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [1,1,0,0,0,0|1,0,1]=4 4044 B9R0.38 CC(C)(O)COCCCBr 34a_100011217188_100000764493 [1,1,0,0,0,0|1,0,1]=4 4045 B9R0.38 CC(C)(O)COCCCCl 34a_100000230001_100000764493 [1,1,0,0,0,0|1,0,1]=4 4046 B9R0.38 CC(C)(O)COCCCF 34a_100000759539_100000764493 [1,1,0,0,0,0|1,0,1]=4 4047 B9R0.38 CC(C)(O)COCCCN 34a_100000182051_100000764493 [1,1,0,0,0,0|1,0,1]=4 4048 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [1,1,0,0,0,0|1,0,1]=4 4049 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [1,1,0,0,0,0|1,0,1]=4 4050 B9R0.38 CCCCOCC(C)(C)C 34a_100000210227_100011219605 [1,1,0,0,0,0|1,0,1]=4 4051 B9R0.38 CCCCOCC(C)(C)F 34a_100000210227_100011997219 [1,1,0,0,0,0|1,0,1]=4 4052 B9R0.38 CCCCOCC(C)(C)F 34a_100000716592_100000210210 [1,1,0,0,0,0|1,0,1]=4 4053 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [1,1,0,0,0,0|0,0,1]=3 4054 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [1,1,0,0,0,0|0,0,1]=3 4055 B9R0.38 CCCCOCC(C)(F)F 34a_100000068830_100000210210 [1,1,0,0,0,0|1,0,1]=4 4056 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [1,1,0,0,0,0|0,1,1]=4 4057 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [1,1,0,0,0,0|0,1,1]=4 4058 B9R0.38 COCCOCC(C)(C)O 34a_100000210237_100000764493 [1,1,0,0,0,0|1,0,1]=4 4059 B9R0.38 CSCCOCC(C)(C)O 34a_100000230434_100000764493 [1,1,0,0,0,0|1,0,1]=4 4060 B9R0.38 CSCCOCC(C)(C)O 7a_100000230434_100000764493 [1,1,0,0,0,0|1,0,1]=4 4061 B9R0.48 CC(CCBr)OC[C@@H](C)O 34a_100012276601_100009817552 [1,1,0,0,0,0|1,0,1]=4 4062 B9R0.48 CC(O)COC(C)CCBr 34a_100012276601_100011218427 [1,1,0,0,0,0|1,0,1]=4 4063 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [1,1,0,0,0,0|1,0,1]=4 4064 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [1,1,0,0,0,0|1,0,1]=4 4065 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [1,1,0,0,0,0|1,0,1]=4 4066 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [1,1,0,0,0,0|1,0,1]=4 4067 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [1,1,0,0,0,0|1,0,1]=4 4068 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [1,1,0,0,0,0|1,0,1]=4 4069 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [1,1,0,0,0,0|1,0,1]=4 4070 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [1,1,0,0,0,0|1,0,1]=4 4071 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [1,1,0,0,0,0|1,0,1]=4 4072 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [1,1,0,0,0,0|1,0,1]=4 4073 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [1,1,0,0,0,0|0,0,1]=3 4074 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [1,1,0,0,0,0|0,0,1]=3 4075 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [1,1,0,0,0,0|1,0,1]=4 4076 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [1,1,0,0,0,0|1,0,1]=4 4077 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [1,1,0,0,0,0|0,0,1]=3 4078 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [1,1,0,0,0,0|0,0,1]=3 4079 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [1,1,0,0,0,0|0,1,1]=4 4080 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [1,1,0,0,0,0|0,1,1]=4 4081 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [1,1,0,0,0,0|0,1,1]=4 4082 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [1,1,0,0,0,0|0,1,1]=4 4083 B9R0.48 COC[C@@H](C)OCC(C)O 34a_100011934205_100011218427 [1,1,0,0,0,0|1,0,1]=4 4084 B9R0.48 COC[C@@H](C)OC[C@@H](C)O 34a_100011934205_100009817552 [1,1,0,0,0,0|1,0,1]=4 4085 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [1,1,0,0,0,0|0,0,2]=4 4086 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [1,1,0,0,0,0|0,0,2]=4 4087 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|0,0,2]=4 4088 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|0,0,2]=4 4089 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|0,0,2]=4 4090 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|0,0,2]=4 4091 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [1,1,0,0,0,0|0,0,1]=3 4092 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [1,1,0,0,0,0|1,0,1]=4 4093 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [1,1,0,0,0,0|1,0,1]=4 4094 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [1,1,0,0,0,0|1,0,1]=4 4095 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [1,1,0,0,0,0|1,0,1]=4 4096 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [1,1,0,0,0,0|1,0,1]=4 4097 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [1,1,0,0,0,0|1,0,1]=4 4098 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [1,1,0,0,0,0|1,0,1]=4 4099 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [1,1,0,0,0,0|1,0,1]=4 4100 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [1,1,0,0,0,0|0,0,1]=3 4101 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [1,1,0,0,0,0|0,0,1]=3 4102 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [1,1,0,0,0,0|1,0,1]=4 4103 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [1,1,0,0,0,0|1,0,1]=4 4104 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [1,1,0,0,0,0|0,0,1]=3 4105 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [1,1,0,0,0,0|0,0,1]=3 4106 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [1,1,0,0,0,0|0,1,1]=4 4107 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [1,1,0,0,0,0|0,1,1]=4 4108 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [1,1,0,0,0,0|0,1,1]=4 4109 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [1,1,0,0,0,0|0,1,1]=4 4110 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [1,1,0,0,0,0|1,0,1]=4 4111 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [1,1,0,0,0,0|1,0,1]=4 4112 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [1,1,0,0,0,0|1,0,1]=4 4113 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [1,1,0,0,0,0|1,0,1]=4 4114 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [1,1,0,0,0,0|1,0,1]=4 4115 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [1,1,0,0,0,0|1,0,1]=4 4116 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [1,1,0,0,0,0|1,0,1]=4 4117 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [1,1,0,0,0,0|1,0,1]=4 4118 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [1,1,0,0,0,0|1,0,1]=4 4119 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [1,1,0,0,0,0|1,0,1]=4 4120 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [1,1,0,0,0,0|1,0,1]=4 4121 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [1,1,0,0,0,0|0,1,1]=4 4122 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [1,1,0,0,0,0|0,1,1]=4 4123 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [1,1,0,0,0,0|0,1,1]=4 4124 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [1,1,0,0,0,0|0,1,1]=4 4125 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [1,1,0,0,0,0|0,0,1]=3 4126 B9R0.55 CC(O)COCCC(F)F 34a_100103093639_100011218427 [1,1,0,0,0,0|1,0,1]=4 4127 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [1,1,0,0,0,0|0,0,1]=3 4128 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [1,1,0,0,0,0|0,0,1]=3 4129 B9R0.55 C[C@@H](O)COCCC(F)F 34a_100103093639_100009817552 [1,1,0,0,0,0|1,0,1]=4 4130 B9R0.3 C#CCCC(=O)C(C)(C)O 1458a_100000242741_100000753159 [1,1,0,0,0,0|0,0,2]=4 4131 B9R0.3 C/C=C/CC(=O)C(C)(C)O 1458a_100000242741_100102629194 [1,1,0,0,0,0|0,0,2]=4 4132 B9R0.3 C=CCCC(=O)C(C)(C)O 1458a_100000242741_100000754431 [1,1,0,0,0,0|0,0,2]=4 4133 B9R0.3 CC#CCC(=O)C(C)(C)O 1458a_100000242741_100000748600 [1,1,0,0,0,0|0,0,2]=4 4134 B9R0.3 CC(C)(C)C(=O)CCCF 1458a_106744555173_100011934791 [1,1,0,0,0,0|2,0,0]=4 4135 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [1,1,0,0,0,0|2,0,0]=4 4136 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_100000032063_200025704644 [1,1,0,0,0,0|2,0,0]=4 4137 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_200025704644_100000032063 [1,1,0,0,0,0|2,0,0]=4 4138 B9R0.3 CC(C)(F)C(=O)CCCF 1458a_100000765255_100011934791 [1,1,0,0,0,0|2,0,0]=4 4139 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [1,1,0,0,0,0|2,0,0]=4 4140 B9R0.3 CC(C)(O)C(=O)CCC#N 1458a_100000242741_100011215226 [1,1,0,0,0,0|1,0,1]=4 4141 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [1,1,0,0,0,0|1,0,0]=3 4142 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [1,1,0,0,0,0|1,0,0]=3 4143 B9R0.3 CC(C)(O)C(=O)NCCF 240690a_100000724931_100000242741 [1,1,0,0,0,0|2,0,0]=4 4144 B9R0.3 CC(C)(O)C(=O)NCCO 240690a_100000210304_100000242741 [1,1,0,0,0,0|2,0,0]=4 4145 B9R0.3 CC=CCC(=O)C(C)(C)O 1458a_100000242741_100000070051 [1,1,0,0,0,0|0,0,2]=4 4146 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [1,1,0,0,0,0|1,0,0]=3 4147 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [1,1,0,0,0,0|1,0,0]=3 4148 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [1,1,0,0,0,0|0,0,0]=2 4149 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100000210183_200000243211 [1,1,0,0,0,0|2,0,0]=4 4150 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100015355933_100000210211 [1,1,0,0,0,0|2,0,0]=4 4151 B9R0.3 CCCNC(=O)C(C)(C)C 11a_100020643023_106744555173 [1,1,0,0,0,0|2,0,0]=4 4152 B9R0.3 CCCNC(=O)C(C)(C)C 1626a_100020643023_106744555173 [1,1,0,0,0,0|2,0,0]=4 4153 B9R0.3 CCCNC(=O)C(C)(C)C 240690a_100020643023_106744555173 [1,1,0,0,0,0|2,0,0]=4 4154 B9R0.3 CCCNC(=O)C(C)(C)C 527a_100020643023_106744555173 [1,1,0,0,0,0|2,0,0]=4 4155 B9R0.3 CCCNC(=O)C(C)(C)F 11a_100020643023_100000765255 [1,1,0,0,0,0|2,0,0]=4 4156 B9R0.3 CCCNC(=O)C(C)(C)F 1626a_100020643023_100000765255 [1,1,0,0,0,0|2,0,0]=4 4157 B9R0.3 CCCNC(=O)C(C)(C)F 240690a_100020643023_100000765255 [1,1,0,0,0,0|2,0,0]=4 4158 B9R0.3 CCCNC(=O)C(C)(C)F 527a_100020643023_100000765255 [1,1,0,0,0,0|2,0,0]=4 4159 B9R0.3 CCCNC(=O)C(C)(C)O 240690a_100020643023_100000242741 [1,1,0,0,0,0|1,0,0]=3 4160 B9R0.3 CCCNC(=O)C(C)(F)F 11a_100020643023_100000042251 [1,1,0,0,0,0|2,0,0]=4 4161 B9R0.3 CCCNC(=O)C(C)(F)F 1626a_100020643023_100000042251 [1,1,0,0,0,0|2,0,0]=4 4162 B9R0.3 CCCNC(=O)C(C)(F)F 240690a_100020643023_100000042251 [1,1,0,0,0,0|2,0,0]=4 4163 B9R0.3 CCCNC(=O)C(C)(F)F 527a_100020643023_100000042251 [1,1,0,0,0,0|2,0,0]=4 4164 B9R0.3 CCNNC(=O)C(C)(C)O 22a_100000756455_100000242741 [1,1,0,0,0,0|2,0,0]=4 4165 B9R0.3 CCOCC(=O)C(C)(C)C 34a_100121572206_100000229897 [1,1,0,0,0,0|2,0,0]=4 4166 B9R0.3 CCOCC(=O)C(C)(C)C 34a_200011592769_100000210202 [1,1,0,0,0,0|2,0,0]=4 4167 B9R0.3 CCOCC(=O)C(C)(C)C 7a_200011592769_100000210202 [1,1,0,0,0,0|2,0,0]=4 4168 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210202_100000210923 [1,1,0,0,0,0|2,0,0]=4 4169 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210923_100000210202 [1,1,0,0,0,0|2,0,0]=4 4170 B9R0.3 COCCC(=O)C(C)(C)C 1458a_106744555173_100000233755 [1,1,0,0,0,0|2,0,0]=4 4171 B9R0.3 COCCC(=O)C(C)(C)F 1458a_100000765255_100000233755 [1,1,0,0,0,0|2,0,0]=4 4172 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [1,1,0,0,0,0|1,0,0]=3 4173 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [1,1,0,0,0,0|2,0,0]=4 4174 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [1,1,0,0,0,0|2,0,0]=4 4175 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [1,1,0,0,0,0|1,0,0]=3 4176 B9R0.3 CSCOC(=O)C(C)(C)C 62a_100000032063_200000210301 [1,1,0,0,0,0|2,0,0]=4 4177 B9R0.3 CSCOC(=O)C(C)(C)C 62a_200000210301_100000032063 [1,1,0,0,0,0|2,0,0]=4 4178 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [1,1,0,0,0,0|1,0,1]=4 4179 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [1,1,0,0,0,0|2,0,0]=4 4180 B9R0.6 CC(CC#N)C(=O)[C@@H](C)O 1458a_100000717761_100009813641 [1,1,0,0,0,0|1,0,1]=4 4181 B9R0.6 CC(CC#N)C(=O)[C@H](C)O 1458a_217856618621_100009813641 [1,1,0,0,0,0|1,0,1]=4 4182 B9R0.6 CC(CCO)C(=O)C(O)O 1458a_100000233687_100009893172 [1,1,0,0,0,0|2,0,0]=4 4183 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [1,1,0,0,0,0|1,0,0]=3 4184 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [1,1,0,0,0,0|1,0,0]=3 4185 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [1,1,0,0,0,0|2,0,0]=4 4186 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [1,1,0,0,0,0|1,0,0]=3 4187 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [1,1,0,0,0,0|1,0,0]=3 4188 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [1,1,0,0,0,0|1,0,0]=3 4189 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [1,1,0,0,0,0|1,0,0]=3 4190 B9R0.6 CCCC(C)C(=O)N(C)C 11a_100102631434_100000210906 [1,1,0,0,0,0|2,0,0]=4 4191 B9R0.6 CCCC(C)C(=O)N(C)C 1626a_100102631434_100000210906 [1,1,0,0,0,0|2,0,0]=4 4192 B9R0.6 CCCC(C)C(=O)N(C)C 240690a_100102631434_100000210906 [1,1,0,0,0,0|2,0,0]=4 4193 B9R0.6 CCCC(C)C(=O)N(C)C 527a_100102631434_100000210906 [1,1,0,0,0,0|2,0,0]=4 4194 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [1,1,0,0,0,0|0,0,0]=2 4195 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [1,1,0,0,0,0|0,0,0]=2 4196 B9R0.6 CCCN(C)C(=O)C(C)C 11a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 4197 B9R0.6 CCCN(C)C(=O)C(C)C 1626a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 4198 B9R0.6 CCCN(C)C(=O)C(C)C 240690a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 4199 B9R0.6 CCCN(C)C(=O)C(C)C 527a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 4200 B9R0.6 CCCN(C)C(=O)C(C)F 11a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 4201 B9R0.6 CCCN(C)C(=O)C(C)F 1626a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 4202 B9R0.6 CCCN(C)C(=O)C(C)F 240690a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 4203 B9R0.6 CCCN(C)C(=O)C(C)F 527a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 4204 B9R0.6 CCCN(C)C(=O)C(O)O 240690a_100000747261_100000233687 [1,1,0,0,0,0|2,0,0]=4 4205 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [1,1,0,0,0,0|1,0,0]=3 4206 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [1,1,0,0,0,0|1,0,0]=3 4207 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [1,1,0,0,0,0|1,0,0]=3 4208 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [1,1,0,0,0,0|1,0,0]=3 4209 B9R0.6 CCC[C@H](O)C(=O)N(C)C 240690a_100102631434_100009822183 [1,1,0,0,0,0|2,0,0]=4 4210 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [1,1,0,0,0,0|2,0,0]=4 4211 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [1,1,0,0,0,0|2,0,0]=4 4212 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [1,1,0,0,0,0|2,0,0]=4 4213 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [1,1,0,0,0,0|2,0,0]=4 4214 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [1,1,0,0,0,0|2,0,0]=4 4215 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [1,1,0,0,0,0|2,0,0]=4 4216 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [1,1,0,0,0,0|2,0,0]=4 4217 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [1,1,0,0,0,0|2,0,0]=4 4218 B9R0.6 COCC(C)C(=O)C(O)O 1458a_100000233687_100000765312 [1,1,0,0,0,0|2,0,0]=4 4219 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [1,1,0,0,0,0|1,0,0]=3 4220 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [1,1,0,0,0,0|1,0,0]=3 4221 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [1,1,0,0,0,0|2,0,0]=4 4222 B9R0.6 C[C@@H](O)C(=O)N(C)CCO 240690a_100000210263_100000717761 [1,1,0,0,0,0|2,0,0]=4 4223 B9R0.6 C[C@H](O)C(=O)N(C)CCO 240690a_100000210263_217856618621 [1,1,0,0,0,0|2,0,0]=4 4224 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [1,1,0,0,0,0|1,0,1]=4 4225 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [1,1,0,0,0,0|1,0,1]=4 4226 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [1,1,0,0,0,0|1,0,1]=4 4227 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [1,1,0,0,0,0|1,0,1]=4 4228 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [1,1,0,0,0,0|1,0,1]=4 4229 B9R0.7 C=C(C)CCC(=O)C(O)O 1458a_100000233687_100000730704 [1,1,0,0,0,0|1,0,1]=4 4230 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [1,1,0,0,0,0|0,0,1]=3 4231 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [1,1,0,0,0,0|0,0,1]=3 4232 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 240690a_100000765925_100000717761 [1,1,0,0,0,0|1,0,1]=4 4233 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 1626a_100000765925_217856618621 [1,1,0,0,0,0|1,0,1]=4 4234 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 240690a_100000765925_217856618621 [1,1,0,0,0,0|1,0,1]=4 4235 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [1,1,0,0,0,0|0,0,2]=4 4236 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [1,1,0,0,0,0|0,0,2]=4 4237 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [1,1,0,0,0,0|1,0,1]=4 4238 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [1,1,0,0,0,0|2,0,0]=4 4239 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [1,1,0,0,0,0|1,0,0]=3 4240 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [1,1,0,0,0,0|1,0,0]=3 4241 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [1,1,0,0,0,0|1,0,0]=3 4242 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [1,1,0,0,0,0|1,0,0]=3 4243 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [1,1,0,0,0,0|2,0,0]=4 4244 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [1,1,0,0,0,0|2,0,0]=4 4245 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [1,1,0,0,0,0|2,0,0]=4 4246 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [1,1,0,0,0,0|2,0,0]=4 4247 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [1,1,0,0,0,0|0,0,0]=2 4248 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [1,1,0,0,0,0|0,0,0]=2 4249 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [1,1,0,0,0,0|2,0,0]=4 4250 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [1,1,0,0,0,0|2,0,0]=4 4251 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [1,1,0,0,0,0|2,0,0]=4 4252 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [1,1,0,0,0,0|2,0,0]=4 4253 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [1,1,0,0,0,0|2,0,0]=4 4254 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [1,1,0,0,0,0|2,0,0]=4 4255 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [1,1,0,0,0,0|2,0,0]=4 4256 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [1,1,0,0,0,0|2,0,0]=4 4257 B9R0.7 CC(C)CNC(=O)C(O)O 240690a_100000210953_100000233687 [1,1,0,0,0,0|2,0,0]=4 4258 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [1,1,0,0,0,0|1,0,0]=3 4259 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [1,1,0,0,0,0|1,0,0]=3 4260 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [1,1,0,0,0,0|1,0,0]=3 4261 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [1,1,0,0,0,0|2,0,0]=4 4262 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [1,1,0,0,0,0|2,0,0]=4 4263 B9R0.7 CC(C)NNC(=O)[C@@H](C)O 22a_100000741168_100000717761 [1,1,0,0,0,0|2,0,0]=4 4264 B9R0.7 CC(C)NNC(=O)[C@H](C)O 22a_100000741168_217856618621 [1,1,0,0,0,0|2,0,0]=4 4265 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [1,1,0,0,0,0|2,0,0]=4 4266 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [1,1,0,0,0,0|2,0,0]=4 4267 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [1,1,0,0,0,0|2,0,0]=4 4268 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [1,1,0,0,0,0|2,0,0]=4 4269 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [1,1,0,0,0,0|2,0,0]=4 4270 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [1,1,0,0,0,0|1,0,0]=3 4271 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [1,1,0,0,0,0|1,0,0]=3 4272 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [1,1,0,0,0,0|1,0,0]=3 4273 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [1,1,0,0,0,0|2,0,0]=4 4274 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [1,1,0,0,0,0|0,0,0]=2 4275 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [1,1,0,0,0,0|0,0,0]=2 4276 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [1,1,0,0,0,0|2,0,0]=4 4277 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [1,1,0,0,0,0|2,0,0]=4 4278 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [1,1,0,0,0,0|2,0,0]=4 4279 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [1,1,0,0,0,0|2,0,0]=4 4280 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [1,1,0,0,0,0|2,0,0]=4 4281 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [1,1,0,0,0,0|2,0,0]=4 4282 B9R0.7 CC(O)CNC(=O)C(O)O 240690a_100000210904_100000233687 [1,1,0,0,0,0|2,0,0]=4 4283 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [1,1,0,0,0,0|1,0,0]=3 4284 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [1,1,0,0,0,0|1,0,0]=3 4285 B9R0.7 C[C@@H](O)C(=O)NCC(F)F 240690a_100000765723_100000717761 [1,1,0,0,0,0|2,0,0]=4 4286 B9R0.7 C[C@H](O)C(=O)NCC(F)F 1626a_100000765723_217856618621 [1,1,0,0,0,0|2,0,0]=4 4287 B9R0.7 C[C@H](O)C(=O)NCC(F)F 240690a_100000765723_217856618621 [1,1,0,0,0,0|2,0,0]=4 4288 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [1,1,0,0,0,0|1,0,1]=4 4289 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [1,1,0,0,0,0|1,0,1]=4 4290 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [1,1,0,0,0,0|1,0,1]=4 4291 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [1,1,0,0,0,0|2,0,0]=4 4292 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [1,1,0,0,0,0|2,0,0]=4 4293 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [1,1,0,0,0,0|1,0,1]=4 4294 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [1,1,0,0,0,0|1,0,1]=4 4295 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [1,1,0,0,0,0|1,0,1]=4 4296 B9R0.42 CCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747405 [1,1,0,0,0,0|1,0,1]=4 4297 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [1,1,0,0,0,0|0,0,1]=3 4298 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [1,1,0,0,0,0|0,0,1]=3 4299 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [1,1,0,0,0,0|1,0,0]=3 4300 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [1,1,0,0,0,0|1,0,0]=3 4301 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [1,1,0,0,0,0|1,0,0]=3 4302 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [1,1,0,0,0,0|1,0,0]=3 4303 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [1,1,0,0,0,0|2,0,0]=4 4304 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [1,1,0,0,0,0|2,0,0]=4 4305 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [1,1,0,0,0,0|2,0,0]=4 4306 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [1,1,0,0,0,0|2,0,0]=4 4307 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [1,1,0,0,0,0|0,0,0]=2 4308 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [1,1,0,0,0,0|0,0,0]=2 4309 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [1,1,0,0,0,0|2,0,0]=4 4310 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [1,1,0,0,0,0|2,0,0]=4 4311 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [1,1,0,0,0,0|2,0,0]=4 4312 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [1,1,0,0,0,0|2,0,0]=4 4313 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [1,1,0,0,0,0|2,0,0]=4 4314 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [1,1,0,0,0,0|2,0,0]=4 4315 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [1,1,0,0,0,0|2,0,0]=4 4316 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [1,1,0,0,0,0|2,0,0]=4 4317 B9R0.42 CCC(C)NC(=O)C(O)O 240690a_100000209981_100000233687 [1,1,0,0,0,0|2,0,0]=4 4318 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [1,1,0,0,0,0|1,0,0]=3 4319 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [1,1,0,0,0,0|1,0,0]=3 4320 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [1,1,0,0,0,0|1,0,0]=3 4321 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [1,1,0,0,0,0|1,0,0]=3 4322 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [1,1,0,0,0,0|1,0,0]=3 4323 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [1,1,0,0,0,0|1,0,0]=3 4324 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [1,1,0,0,0,0|1,0,0]=3 4325 B9R0.42 CCC(O)CC(=O)N(C)C 1626a_100102631434_100011667805 [1,1,0,0,0,0|2,0,0]=4 4326 B9R0.42 CCC(O)CC(=O)N(C)C 240690a_100102631434_100011667805 [1,1,0,0,0,0|2,0,0]=4 4327 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [1,1,0,0,0,0|0,0,0]=2 4328 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [1,1,0,0,0,0|0,0,0]=2 4329 B9R0.42 CCN(C)CC(=O)C(C)C 1458a_100116209913_100000210206 [1,1,0,0,0,0|2,0,0]=4 4330 B9R0.42 CCN(C)CC(=O)C(C)C 2230a_100000225621_100000753385 [1,1,0,0,0,0|2,0,0]=4 4331 B9R0.42 CCN(C)CC(=O)C(C)C 269982a_100000225621_100000753385 [1,1,0,0,0,0|2,0,0]=4 4332 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [1,1,0,0,0,0|1,0,0]=3 4333 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [1,1,0,0,0,0|1,0,0]=3 4334 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [1,1,0,0,0,0|1,0,0]=3 4335 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [1,1,0,0,0,0|0,0,0]=2 4336 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [1,1,0,0,0,0|0,0,0]=2 4337 B9R0.42 CNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183359 [1,1,0,0,0,0|1,0,1]=4 4338 B9R0.42 CNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183359 [1,1,0,0,0,0|1,0,1]=4 4339 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [1,1,0,0,0,0|1,0,1]=4 4340 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [1,1,0,0,0,0|1,0,1]=4 4341 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [1,1,0,0,0,0|2,0,0]=4 4342 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [1,1,0,0,0,0|1,0,0]=3 4343 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [1,1,0,0,0,0|1,0,0]=3 4344 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [1,1,0,0,0,0|2,0,0]=4 4345 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [1,1,0,0,0,0|2,0,0]=4 4346 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [1,1,0,0,0,0|2,0,0]=4 4347 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [1,1,0,0,0,0|2,0,0]=4 4348 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [1,1,0,0,0,0|2,0,0]=4 4349 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,1,0,0,0,1|1,0,1]=4 4350 B11R0.1 CCCC(=CC(=O)CC(C)O)C 1458a_100020676950_100011218427 [0,1,0,0,0,1|1,0,1]=4 4351 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,1|1,0,1]=4 4352 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,1,0,0,0,1|2,0,0]=4 4353 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,1,0,0,0,1|2,0,0]=4 4354 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,1,0,0,0,1|1,0,0]=3 4355 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,1,0,0,0,1|1,0,0]=3 4356 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,1,0,0,0,1|2,0,0]=4 4357 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,1,0,0,0,1|2,0,0]=4 4358 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,1,0,0,0,1|2,0,0]=4 4359 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,1,0,0,0,1|2,0,0]=4 4360 B11R0.1 CCCC(C)NC(=O)CC(C)C 11a_100000741246_100000210554 [0,1,0,0,0,1|2,0,0]=4 4361 B11R0.1 CCCC(C)NC(=O)CC(C)C 1626a_100000741246_100000210554 [0,1,0,0,0,1|2,0,0]=4 4362 B11R0.1 CCCC(C)NC(=O)CC(C)C 240690a_100000741246_100000210554 [0,1,0,0,0,1|2,0,0]=4 4363 B11R0.1 CCCC(C)NC(=O)CC(C)C 527a_100000741246_100000210554 [0,1,0,0,0,1|2,0,0]=4 4364 B11R0.1 CCCC(C)NC(=O)C[C@@H](C)O 240690a_100000741246_100011933948 [0,1,0,0,0,1|1,0,0]=3 4365 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100000741246_100138425928 [0,1,0,0,0,1|2,0,0]=4 4366 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000741246 [0,1,0,0,0,1|2,0,0]=4 4367 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100000741246_100138425928 [0,1,0,0,0,1|2,0,0]=4 4368 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100138425928_100000741246 [0,1,0,0,0,1|2,0,0]=4 4369 B11R0.1 CCCS(=O)CC(=O)CC(C)O 1458a_100011387404_100011218427 [0,1,0,0,0,1|2,0,0]=4 4370 B11R0.1 CCSC(C)CC(=O)CC(C)O 1458a_200011311441_100011218427 [0,1,0,0,0,1|2,0,0]=4 4371 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210202 [0,1,0,0,0,1|2,0,0]=4 4372 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000210202_100000067433 [0,1,0,0,0,1|2,0,0]=4 4373 B11R0.1 COC[C@@H](C)NC(=O)C[C@@H](C)O 240690a_100000764878_100011933948 [0,1,0,0,0,1|2,0,0]=4 4374 B11R0.1 C[C@H](CCO)NC(=O)C[C@@H](C)O 240690a_100000706166_100011933948 [0,1,0,0,0,1|2,0,0]=4 4375 B11R0.2 C#CCCCCC(=O)CC(C)O 1458a_100000696528_100011218427 [0,1,0,0,0,1|1,0,1]=4 4376 B11R0.2 C#CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100010269958 [0,1,0,0,0,1|1,0,1]=4 4377 B11R0.2 C#CCCCNC(=O)C[C@@H](C)O 240690a_100000718082_100011933948 [0,1,0,0,0,1|1,0,1]=4 4378 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [0,1,0,0,0,1|1,0,1]=4 4379 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,1,0,0,0,1|1,0,1]=4 4380 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,1,0,0,0,1|1,0,1]=4 4381 B11R0.2 C=CCCCNC(=O)C[C@@H](C)O 240690a_100000700776_100011933948 [0,1,0,0,0,1|1,0,1]=4 4382 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,1,0,0,0,1|2,0,0]=4 4383 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,1,0,0,0,1|2,0,0]=4 4384 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,1,0,0,0,1|2,0,0]=4 4385 B11R0.2 CC(C)CC(=O)NCCCCO 240690a_100000750430_100000210554 [0,1,0,0,0,1|2,0,0]=4 4386 B11R0.2 CC(C)CC(=O)NCCCCO 527a_100000750430_100000210554 [0,1,0,0,0,1|2,0,0]=4 4387 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [0,1,0,0,0,1|2,0,0]=4 4388 B11R0.2 CC(C)NC(=O)COCCCBr 34a_100011217188_100000183996 [0,1,0,0,0,1|2,0,0]=4 4389 B11R0.2 CC(C)NC(=O)COCCCCl 34a_100000230001_100000183996 [0,1,0,0,0,1|2,0,0]=4 4390 B11R0.2 CC(C)NC(=O)COCCCF 34a_100000759539_100000183996 [0,1,0,0,0,1|2,0,0]=4 4391 B11R0.2 CC(C)NC(=O)COCCCN 34a_100000182051_100000183996 [0,1,0,0,0,1|2,0,0]=4 4392 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100000750430_100138425928 [0,1,0,0,0,1|2,0,0]=4 4393 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100138425928_100000750430 [0,1,0,0,0,1|2,0,0]=4 4394 B11R0.2 CC(C)NC(=O)NCCCCO 273464a_100138425928_100000750430 [0,1,0,0,0,1|2,0,0]=4 4395 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100000750430_100138425928 [0,1,0,0,0,1|2,0,0]=4 4396 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100138425928_100000750430 [0,1,0,0,0,1|2,0,0]=4 4397 B11R0.2 CC(C)OC(=O)COCCCBr 34a_100011217188_100011215430 [0,1,0,0,0,1|2,0,0]=4 4398 B11R0.2 CC(C)OC(=O)COCCCCl 34a_100000230001_100011215430 [0,1,0,0,0,1|2,0,0]=4 4399 B11R0.2 CC(C)OC(=O)COCCCF 34a_100000759539_100011215430 [0,1,0,0,0,1|2,0,0]=4 4400 B11R0.2 CC(C)OC(=O)COCCCN 34a_100000182051_100011215430 [0,1,0,0,0,1|2,0,0]=4 4401 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100000003507_100011217306 [0,1,0,0,0,1|2,0,0]=4 4402 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100011217306_100000003507 [0,1,0,0,0,1|2,0,0]=4 4403 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000003507_100000211926 [0,1,0,0,0,1|2,0,0]=4 4404 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000211926_100000003507 [0,1,0,0,0,1|2,0,0]=4 4405 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,1,0,0,0,1|1,0,0]=3 4406 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,1,0,0,0,1|2,0,0]=4 4407 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [0,1,0,0,0,1|1,0,1]=4 4408 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [0,1,0,0,0,1|1,0,1]=4 4409 B11R0.2 CCCCC=CC(=O)CC(C)C 1458a_100016266645_100000210624 [0,1,0,0,0,1|2,0,0]=4 4410 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [0,1,0,0,0,1|1,0,0]=3 4411 B11R0.2 CCCCC=CC(=O)NC(C)C 11a_100138425928_100016266645 [0,1,0,0,0,1|2,0,0]=4 4412 B11R0.2 CCCCC=CC(=O)NC(C)C 1626a_100138425928_100016266645 [0,1,0,0,0,1|2,0,0]=4 4413 B11R0.2 CCCCC=CC(=O)NC(C)C 240690a_100138425928_100016266645 [0,1,0,0,0,1|2,0,0]=4 4414 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,1,0,0,0,1|2,0,0]=4 4415 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,1,0,0,0,1|2,0,0]=4 4416 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,1,0,0,0,1|1,0,0]=3 4417 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,1,0,0,0,1|1,0,0]=3 4418 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,1,0,0,0,1|2,0,0]=4 4419 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,1,0,0,0,1|2,0,0]=4 4420 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,1,0,0,0,1|2,0,0]=4 4421 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,1,0,0,0,1|2,0,0]=4 4422 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,1,0,0,0,1|2,0,0]=4 4423 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,1,0,0,0,1|2,0,0]=4 4424 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,1,0,0,0,1|2,0,0]=4 4425 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,1,0,0,0,1|2,0,0]=4 4426 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,1,0,0,0,1|1,0,0]=3 4427 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [0,1,0,0,0,1|2,0,0]=4 4428 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [0,1,0,0,0,1|2,0,0]=4 4429 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [0,1,0,0,0,1|2,0,0]=4 4430 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [0,1,0,0,0,1|2,0,0]=4 4431 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [0,1,0,0,0,1|2,0,0]=4 4432 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000102301_100000183996 [0,1,0,0,0,1|2,0,0]=4 4433 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000168517_100000210211 [0,1,0,0,0,1|2,0,0]=4 4434 B11R0.2 CCCCNCC(=O)NC(C)C 7a_106832991798_100000183996 [0,1,0,0,0,1|2,0,0]=4 4435 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [0,1,0,0,0,1|2,0,0]=4 4436 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [0,1,0,0,0,1|2,0,0]=4 4437 B11R0.2 CCCCNNC(=O)CC(C)C 22a_100025702795_100000210554 [0,1,0,0,0,1|2,0,0]=4 4438 B11R0.2 CCCCNNC(=O)C[C@@H](C)O 22a_100025702795_100011933948 [0,1,0,0,0,1|1,0,0]=3 4439 B11R0.2 CCCCNNC(=O)NC(C)C 273464a_100138425928_100025702795 [0,1,0,0,0,1|2,0,0]=4 4440 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100025702795_100138425928 [0,1,0,0,0,1|2,0,0]=4 4441 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100138425928_100025702795 [0,1,0,0,0,1|2,0,0]=4 4442 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [0,1,0,0,0,1|1,0,1]=4 4443 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [0,1,0,0,0,1|1,0,1]=4 4444 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [0,1,0,0,0,1|1,0,1]=4 4445 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,1,0,0,0,1|1,0,0]=3 4446 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,1,0,0,0,1|1,0,0]=3 4447 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,1,0,0,0,1|0,0,0]=2 4448 B11R0.2 CCCCOCC(=O)CC(F)F 1458a_100000757543_100011934356 [0,1,0,0,0,1|2,0,0]=4 4449 B11R0.2 CCCCOCC(=O)CN(C)C 1458a_100000750896_100011995733 [0,1,0,0,0,1|2,0,0]=4 4450 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,1,0,0,0,1|0,0,0]=2 4451 B11R0.2 CCCCOCC(=O)C[S+](C)C 1458a_200159257847_100011995733 [0,1,0,0,0,1|2,0,0]=4 4452 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,1,0,0,0,1|0,0,2]=4 4453 B11R0.2 CCCCOCC(=O)NC(C)C 11a_100138425928_100000757543 [0,1,0,0,0,1|1,0,0]=3 4454 B11R0.2 CCCCOCC(=O)NC(C)C 1626a_100138425928_100000757543 [0,1,0,0,0,1|1,0,0]=3 4455 B11R0.2 CCCCOCC(=O)NC(C)C 240690a_100138425928_100000757543 [0,1,0,0,0,1|1,0,0]=3 4456 B11R0.2 CCCCOCC(=O)NC(C)C 34a_100000210227_100000183996 [0,1,0,0,0,1|1,0,0]=3 4457 B11R0.2 CCCCOCC(=O)NC(C)C 527a_100138425928_100000757543 [0,1,0,0,0,1|1,0,0]=3 4458 B11R0.2 CCCCOCC(=O)NC(C)C 7a_100000210227_100000183996 [0,1,0,0,0,1|1,0,0]=3 4459 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,1,0,0,0,1|1,0,0]=3 4460 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,1,0,0,0,1|1,0,0]=3 4461 B11R0.2 CCCCOCN(C)CC(C)O 2230a_100000227577_100011995733 [0,1,0,0,0,1|2,0,0]=4 4462 B11R0.2 CCCCOCN(C)CC(C)O 269982a_100000227577_100011995733 [0,1,0,0,0,1|2,0,0]=4 4463 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,1,0,0,0,1|1,1,0]=4 4464 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,1,0,0,0,1|0,1,0]=3 4465 B11R0.2 CCCCSCC(=O)NC(C)C 11a_100138425928_100000191162 [0,1,0,0,0,1|1,1,0]=4 4466 B11R0.2 CCCCSCC(=O)NC(C)C 1626a_100138425928_100000191162 [0,1,0,0,0,1|1,1,0]=4 4467 B11R0.2 CCCCSCC(=O)NC(C)C 240690a_100138425928_100000191162 [0,1,0,0,0,1|1,1,0]=4 4468 B11R0.2 CCCCSCC(=O)NC(C)C 527a_100138425928_100000191162 [0,1,0,0,0,1|1,1,0]=4 4469 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000183996_100000210210 [0,1,0,0,0,1|1,1,0]=4 4470 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000210211_100000183996 [0,1,0,0,0,1|1,1,0]=4 4471 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [0,1,0,0,0,1|1,1,0]=4 4472 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [0,1,0,0,0,1|1,1,0]=4 4473 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [0,1,0,0,0,1|2,0,0]=4 4474 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,1,0,0,0,1|1,0,0]=3 4475 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000210303_100000737564 [0,1,0,0,0,1|2,0,0]=4 4476 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000737564_100000210303 [0,1,0,0,0,1|2,0,0]=4 4477 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [0,1,0,0,0,1|2,0,0]=4 4478 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [0,1,0,0,0,1|2,0,0]=4 4479 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [0,1,0,0,0,1|1,0,0]=3 4480 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [0,1,0,0,0,1|1,0,0]=3 4481 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [0,1,0,0,0,1|2,0,0]=4 4482 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,1,0,0,0,1|1,0,0]=3 4483 B11R0.2 CCOCCNC(=O)CC(C)C 11a_100011200944_100000210554 [0,1,0,0,0,1|2,0,0]=4 4484 B11R0.2 CCOCCNC(=O)CC(C)C 1626a_102516460346_100000210554 [0,1,0,0,0,1|2,0,0]=4 4485 B11R0.2 CCOCCNC(=O)CC(C)C 240690a_100011200944_100000210554 [0,1,0,0,0,1|2,0,0]=4 4486 B11R0.2 CCOCCNC(=O)CC(C)C 527a_100011200944_100000210554 [0,1,0,0,0,1|2,0,0]=4 4487 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [0,1,0,0,0,1|1,0,0]=3 4488 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100011200944_100138425928 [0,1,0,0,0,1|2,0,0]=4 4489 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100138425928_100011200944 [0,1,0,0,0,1|2,0,0]=4 4490 B11R0.2 CCOCCNC(=O)NC(C)C 273464a_100138425928_102516460346 [0,1,0,0,0,1|2,0,0]=4 4491 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100011200944_100138425928 [0,1,0,0,0,1|2,0,0]=4 4492 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100138425928_100011200944 [0,1,0,0,0,1|2,0,0]=4 4493 B11R0.2 CCOCCOC(=O)CC(=O)C 1458a_100000070787_200000101388 [0,1,0,0,0,1|0,0,2]=4 4494 B11R0.2 CCOCCOC(=O)CC(=O)C 34a_100121572206_100000102702 [0,1,0,0,0,1|0,0,2]=4 4495 B11R0.2 CCOCCOC(=O)CN(C)C 2230a_100102631434_200000101388 [0,1,0,0,0,1|2,0,0]=4 4496 B11R0.2 CCOCCOC(=O)CN(C)C 269982a_100102631434_200000101388 [0,1,0,0,0,1|2,0,0]=4 4497 B11R0.2 CCSCCNC(=O)CC(C)C 11a_100000106463_100000210554 [0,1,0,0,0,1|2,0,0]=4 4498 B11R0.2 CCSCCNC(=O)CC(C)C 1626a_100000106463_100000210554 [0,1,0,0,0,1|2,0,0]=4 4499 B11R0.2 CCSCCNC(=O)CC(C)C 240690a_100000106463_100000210554 [0,1,0,0,0,1|2,0,0]=4 4500 B11R0.2 CCSCCNC(=O)CC(C)C 527a_100000106463_100000210554 [0,1,0,0,0,1|2,0,0]=4 4501 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [0,1,0,0,0,1|1,0,0]=3 4502 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100000106463_100138425928 [0,1,0,0,0,1|2,0,0]=4 4503 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100138425928_100000106463 [0,1,0,0,0,1|2,0,0]=4 4504 B11R0.2 CCSCCNC(=O)NC(C)C 273464a_100138425928_100000106463 [0,1,0,0,0,1|2,0,0]=4 4505 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100000106463_100138425928 [0,1,0,0,0,1|2,0,0]=4 4506 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100138425928_100000106463 [0,1,0,0,0,1|2,0,0]=4 4507 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000102702_100000210202 [0,1,0,0,0,1|0,0,2]=4 4508 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000210202_100000102702 [0,1,0,0,0,1|0,0,2]=4 4509 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [0,1,0,0,0,1|2,0,0]=4 4510 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,1,0,0,0,1|1,0,0]=3 4511 B11R0.2 COCCCNC(=O)CC(C)C 1626a_100150723488_100000210554 [0,1,0,0,0,1|2,0,0]=4 4512 B11R0.2 COCCCNC(=O)CC(C)C 240690a_100150723488_100000210554 [0,1,0,0,0,1|2,0,0]=4 4513 B11R0.2 COCCCNC(=O)CC(C)C 527a_100150723488_100000210554 [0,1,0,0,0,1|2,0,0]=4 4514 B11R0.2 COCCCNC(=O)C[C@@H](C)O 240690a_100150723488_100011933948 [0,1,0,0,0,1|1,0,0]=3 4515 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100138425928_100150723488 [0,1,0,0,0,1|2,0,0]=4 4516 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100150723488_100138425928 [0,1,0,0,0,1|2,0,0]=4 4517 B11R0.2 COCCCNC(=O)NC(C)C 273464a_100138425928_100150723488 [0,1,0,0,0,1|2,0,0]=4 4518 B11R0.2 COCCCNC(=O)NC(C)C 512a_100138425928_100150723488 [0,1,0,0,0,1|2,0,0]=4 4519 B11R0.2 COCCNNC(=O)C[C@@H](C)O 22a_100000741390_100011933948 [0,1,0,0,0,1|2,0,0]=4 4520 B11R0.2 COCCOCC(=O)CC(C)C 1458a_100000211095_100000210624 [0,1,0,0,0,1|2,0,0]=4 4521 B11R0.2 COCCOCC(=O)CC(C)O 1458a_100000211095_100011218427 [0,1,0,0,0,1|1,0,0]=3 4522 B11R0.2 COCCOCC(=O)NC(C)C 11a_100138425928_100000211095 [0,1,0,0,0,1|2,0,0]=4 4523 B11R0.2 COCCOCC(=O)NC(C)C 1626a_100138425928_100000211095 [0,1,0,0,0,1|2,0,0]=4 4524 B11R0.2 COCCOCC(=O)NC(C)C 240690a_100138425928_100000211095 [0,1,0,0,0,1|2,0,0]=4 4525 B11R0.2 COCCOCC(=O)NC(C)C 34a_100000210237_100000183996 [0,1,0,0,0,1|2,0,0]=4 4526 B11R0.2 COCCOCC(=O)NC(C)C 527a_100138425928_100000211095 [0,1,0,0,0,1|2,0,0]=4 4527 B11R0.2 COCCOCC(=O)OC(C)C 34a_100000210237_100011215430 [0,1,0,0,0,1|2,0,0]=4 4528 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000003507_100000766300 [0,1,0,0,0,1|2,0,0]=4 4529 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000766300_100000003507 [0,1,0,0,0,1|2,0,0]=4 4530 B11R0.2 CSCCCNC(=O)CC(C)C 11a_100000749238_100000210554 [0,1,0,0,0,1|2,0,0]=4 4531 B11R0.2 CSCCCNC(=O)CC(C)C 1626a_100000749238_100000210554 [0,1,0,0,0,1|2,0,0]=4 4532 B11R0.2 CSCCCNC(=O)CC(C)C 240690a_100000749238_100000210554 [0,1,0,0,0,1|2,0,0]=4 4533 B11R0.2 CSCCCNC(=O)CC(C)C 527a_100000749238_100000210554 [0,1,0,0,0,1|2,0,0]=4 4534 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 240690a_100000749238_100011933948 [0,1,0,0,0,1|1,0,0]=3 4535 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100000749238_100138425928 [0,1,0,0,0,1|2,0,0]=4 4536 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100138425928_100000749238 [0,1,0,0,0,1|2,0,0]=4 4537 B11R0.2 CSCCCNC(=O)NC(C)C 273464a_100138425928_100000749238 [0,1,0,0,0,1|2,0,0]=4 4538 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100000749238_100138425928 [0,1,0,0,0,1|2,0,0]=4 4539 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100138425928_100000749238 [0,1,0,0,0,1|2,0,0]=4 4540 B11R0.2 CSCCOCC(=O)NC(C)C 34a_100000230434_100000183996 [0,1,0,0,0,1|2,0,0]=4 4541 B11R0.2 CSCCOCC(=O)NC(C)C 7a_100000230434_100000183996 [0,1,0,0,0,1|2,0,0]=4 4542 B11R0.2 CSCCOCC(=O)OC(C)C 34a_100000230434_100011215430 [0,1,0,0,0,1|2,0,0]=4 4543 B11R0.2 CSCCOCC(=O)OC(C)C 7a_100000230434_100011215430 [0,1,0,0,0,1|2,0,0]=4 4544 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100000003507_100011218213 [0,1,0,0,0,1|2,0,0]=4 4545 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100011218213_100000003507 [0,1,0,0,0,1|2,0,0]=4 4546 B11R0.2 C[C@@H](O)CC(=O)CCCCC#N 1458a_100011933948_100000211819 [0,1,0,0,0,1|1,0,1]=4 4547 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,1,0,0,0,1|1,0,0]=3 4548 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,1,0,0,0,1|1,0,0]=3 4549 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,1,0,0,0,1|2,0,0]=4 4550 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,1,0,0,0,1|1,0,0]=3 4551 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,1,0,0,0,1|1,0,1]=4 4552 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,1,0,0,0,1|2,0,0]=4 4553 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,1,0,0,0,1|2,0,0]=4 4554 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,1,0,0,0,1|2,0,0]=4 4555 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,1,0,0,0,1|2,0,0]=4 4556 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,1,0,0,0,1|2,0,0]=4 4557 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,1,0,0,0,1|1,0,0]=3 4558 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,1,0,0,0,1|1,0,0]=3 4559 B11R0.6 CC(C)CCCC(=O)NC(C)C 11a_100138425928_100011216857 [0,1,0,0,0,1|2,0,0]=4 4560 B11R0.6 CC(C)CCCC(=O)NC(C)C 1626a_100138425928_100011216857 [0,1,0,0,0,1|2,0,0]=4 4561 B11R0.6 CC(C)CCCC(=O)NC(C)C 240690a_100138425928_100011216857 [0,1,0,0,0,1|2,0,0]=4 4562 B11R0.6 CC(C)CCCC(=O)NC(C)C 527a_100138425928_100011216857 [0,1,0,0,0,1|2,0,0]=4 4563 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,1,0,0,0,1|2,0,0]=4 4564 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,1,0,0,0,1|2,0,0]=4 4565 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,1,0,0,0,1|2,0,0]=4 4566 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,1,0,0,0,1|2,0,0]=4 4567 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,1,0,0,0,1|1,0,0]=3 4568 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100000210545_100138425928 [0,1,0,0,0,1|2,0,0]=4 4569 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100138425928_100000210545 [0,1,0,0,0,1|2,0,0]=4 4570 B11R0.6 CC(C)CCNC(=O)NC(C)C 273464a_100138425928_100000210545 [0,1,0,0,0,1|2,0,0]=4 4571 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100000210545_100138425928 [0,1,0,0,0,1|2,0,0]=4 4572 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100138425928_100000210545 [0,1,0,0,0,1|2,0,0]=4 4573 B11R0.6 CC(C)CNNC(=O)C[C@@H](C)O 22a_100000696102_100011933948 [0,1,0,0,0,1|2,0,0]=4 4574 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,1,0,0,0,1|2,0,0]=4 4575 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000003507_100000210206 [0,1,0,0,0,1|2,0,0]=4 4576 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000210206_100000003507 [0,1,0,0,0,1|2,0,0]=4 4577 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,1,0,0,0,1|2,0,0]=4 4578 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,1,0,0,0,1|2,0,0]=4 4579 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,1,0,0,0,1|1,0,0]=3 4580 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,1,0,0,0,1|2,0,0]=4 4581 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,1,0,0,0,1|2,0,0]=4 4582 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,1,0,0,0,1|1,0,0]=3 4583 B11R0.6 CC(O)CCNC(=O)NC(C)C 2708a_100138425928_200000755665 [0,1,0,0,0,1|2,0,0]=4 4584 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_100138425928_200000755665 [0,1,0,0,0,1|2,0,0]=4 4585 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_200000755665_100138425928 [0,1,0,0,0,1|2,0,0]=4 4586 B11R0.6 CC(O)CNNC(=O)C[C@@H](C)O 22a_200000730056_100011933948 [0,1,0,0,0,1|2,0,0]=4 4587 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,1,0,0,0,1|2,0,0]=4 4588 B11R0.6 C[C@@H](O)CC(=O)NCCN(C)C 240690a_100000210585_100011933948 [0,1,0,0,0,1|2,0,0]=4 4589 B11R0.68 CCC/C=C(\C)/C(=O)CC(C)O 1458a_200020648666_100011218427 [0,1,0,0,0,1|1,0,1]=4 4590 B11R0.68 CCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210211 [0,1,0,0,0,1|2,0,0]=4 4591 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011215066 [0,1,0,0,0,1|2,0,0]=4 4592 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000725509_100000210624 [0,1,0,0,0,1|2,0,0]=4 4593 B11R0.68 CCCCC(C)C(=O)CC(C)O 1458a_100000725509_100011218427 [0,1,0,0,0,1|1,0,0]=3 4594 B11R0.68 CCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011215066 [0,1,0,0,0,1|1,0,0]=3 4595 B11R0.68 CCCCC(C)C(=O)NC(C)C 11a_100138425928_100000725509 [0,1,0,0,0,1|2,0,0]=4 4596 B11R0.68 CCCCC(C)C(=O)NC(C)C 1626a_100138425928_100000725509 [0,1,0,0,0,1|2,0,0]=4 4597 B11R0.68 CCCCC(C)C(=O)NC(C)C 240690a_100138425928_100000725509 [0,1,0,0,0,1|2,0,0]=4 4598 B11R0.68 CCCCC(C)C(=O)NC(C)C 527a_100138425928_100000725509 [0,1,0,0,0,1|2,0,0]=4 4599 B11R0.68 CCCCC(O)C(=O)CC(C)C 1458a_100000720857_100000210624 [0,1,0,0,0,1|2,0,0]=4 4600 B11R0.68 CCCCC(O)C(=O)CC(C)O 1458a_100000720857_100011218427 [0,1,0,0,0,1|1,0,0]=3 4601 B11R0.68 CCCCC(O)C(=O)NC(C)C 240690a_100138425928_100000720857 [0,1,0,0,0,1|2,0,0]=4 4602 B11R0.68 CCCCC(O)C(=O)NC(C)C 527a_100138425928_100000720857 [0,1,0,0,0,1|2,0,0]=4 4603 B11R0.68 CCCCN(C)C(=O)CC(C)C 11a_100000207549_100000210554 [0,1,0,0,0,1|2,0,0]=4 4604 B11R0.68 CCCCN(C)C(=O)CC(C)C 1626a_100000207549_100000210554 [0,1,0,0,0,1|2,0,0]=4 4605 B11R0.68 CCCCN(C)C(=O)CC(C)C 240690a_100000207549_100000210554 [0,1,0,0,0,1|2,0,0]=4 4606 B11R0.68 CCCCN(C)C(=O)CC(C)C 527a_100000207549_100000210554 [0,1,0,0,0,1|2,0,0]=4 4607 B11R0.68 CCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207549_100011933948 [0,1,0,0,0,1|1,0,0]=3 4608 B11R0.68 CCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000207549 [0,1,0,0,0,1|2,0,0]=4 4609 B11R0.68 CCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000207549 [0,1,0,0,0,1|2,0,0]=4 4610 B11R0.68 CCCNC(=O)C(=O)CC(C)O 1458a_200011297150_100011218427 [0,1,0,0,0,1|2,0,0]=4 4611 B11R0.68 COCCN(C)C(=O)C[C@@H](C)O 240690a_100000743101_100011933948 [0,1,0,0,0,1|2,0,0]=4 4612 B11R0.68 CSCCC(O)C(=O)CC(C)O 1458a_100000685904_100011218427 [0,1,0,0,0,1|2,0,0]=4 4613 B11R0.68 CSCCN(C)C(=O)C[C@@H](C)O 240690a_100000686725_100011933948 [0,1,0,0,0,1|2,0,0]=4 4614 B11R0.68 C[C@@H](O)CC(=O)N(C)CCCO 240690a_100000213112_100011933948 [0,1,0,0,0,1|2,0,0]=4 4615 B11R0.107 CC(CO)CNC(=O)C[C@@H](C)O 240690a_100000744482_100011933948 [0,1,0,0,0,1|2,0,0]=4 4616 B11R0.107 CCC(=O)COC(=O)OC(C)C 1458a_100000210414_100000003507 [0,1,0,0,0,1|1,0,1]=4 4617 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,1,0,0,0,1|2,0,0]=4 4618 B11R0.107 CCC(C)CCC(=O)CC(C)O 1458a_100000701222_100011218427 [0,1,0,0,0,1|1,0,0]=3 4619 B11R0.107 CCC(C)CCC(=O)NC(C)C 11a_100138425928_100000701222 [0,1,0,0,0,1|2,0,0]=4 4620 B11R0.107 CCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000701222 [0,1,0,0,0,1|2,0,0]=4 4621 B11R0.107 CCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000701222 [0,1,0,0,0,1|2,0,0]=4 4622 B11R0.107 CCC(C)CCC(=O)NC(C)C 527a_100138425928_100000701222 [0,1,0,0,0,1|2,0,0]=4 4623 B11R0.107 CCC(C)CNC(=O)CC(C)C 11a_100020588543_100000210554 [0,1,0,0,0,1|2,0,0]=4 4624 B11R0.107 CCC(C)CNC(=O)CC(C)C 1626a_100020588543_100000210554 [0,1,0,0,0,1|2,0,0]=4 4625 B11R0.107 CCC(C)CNC(=O)CC(C)C 240690a_100020588543_100000210554 [0,1,0,0,0,1|2,0,0]=4 4626 B11R0.107 CCC(C)CNC(=O)CC(C)C 527a_100020588543_100000210554 [0,1,0,0,0,1|2,0,0]=4 4627 B11R0.107 CCC(C)CNC(=O)C[C@@H](C)O 240690a_100020588543_100011933948 [0,1,0,0,0,1|1,0,0]=3 4628 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100020588543_100138425928 [0,1,0,0,0,1|2,0,0]=4 4629 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100138425928_100020588543 [0,1,0,0,0,1|2,0,0]=4 4630 B11R0.107 CCC(C)CNC(=O)NC(C)C 273464a_100138425928_100020588543 [0,1,0,0,0,1|2,0,0]=4 4631 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100020588543_100138425928 [0,1,0,0,0,1|2,0,0]=4 4632 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100138425928_100020588543 [0,1,0,0,0,1|2,0,0]=4 4633 B11R0.107 CCC(C)NNC(=O)C[C@@H](C)O 22a_100000718999_100011933948 [0,1,0,0,0,1|2,0,0]=4 4634 B11R0.107 CCC(O)CCC(=O)NC(C)C 1626a_100138425928_203496584001 [0,1,0,0,0,1|2,0,0]=4 4635 B11R0.107 CCC(O)CCC(=O)NC(C)C 240690a_100138425928_203496584001 [0,1,0,0,0,1|2,0,0]=4 4636 B11R0.107 CCC(O)CNC(=O)CC(C)C 11a_100011218483_100000210554 [0,1,0,0,0,1|2,0,0]=4 4637 B11R0.107 CCC(O)CNC(=O)CC(C)C 240690a_100011218483_100000210554 [0,1,0,0,0,1|2,0,0]=4 4638 B11R0.107 CCC(O)CNC(=O)CC(C)C 527a_100011218483_100000210554 [0,1,0,0,0,1|2,0,0]=4 4639 B11R0.107 CCC(O)CNC(=O)C[C@@H](C)O 240690a_100011218483_100011933948 [0,1,0,0,0,1|1,0,0]=3 4640 B11R0.107 CCC(O)CNC(=O)NC(C)C 2708a_100138425928_100011218483 [0,1,0,0,0,1|2,0,0]=4 4641 B11R0.107 CCC(O)CNC(=O)NC(C)C 273464a_100138425928_100011218483 [0,1,0,0,0,1|2,0,0]=4 4642 B11R0.107 CCC(O)CNC(=O)NC(C)C 512a_100011218483_100138425928 [0,1,0,0,0,1|2,0,0]=4 4643 B11R0.107 CCN(C)CCC(=O)CC(C)O 1458a_100000755305_100011218427 [0,1,0,0,0,1|2,0,0]=4 4644 B11R0.107 CCN(C)COC(=O)OC(C)C 269982a_100000225621_100010125566 [0,1,0,0,0,1|2,0,0]=4 4645 B11R0.107 CCS(=O)CCC(=O)CC(C)O 1458a_100011387550_100011218427 [0,1,0,0,0,1|2,0,0]=4 4646 B11R0.107 CO[C@H](C)CNC(=O)C[C@@H](C)O 240690a_100020591295_100011933948 [0,1,0,0,0,1|2,0,0]=4 4647 B11R0.107 C[C@@H](O)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100011933948 [0,1,0,0,0,1|2,0,0]=4 4648 B11R0.107 C[C@@H](O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100011933948 [0,1,0,0,0,1|2,0,0]=4 4649 B11R0.139 CCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210326 [0,1,0,0,0,1|2,0,0]=4 4650 B11R0.139 CCCCCC(=O)N(C)C(C)C 11a_200000211004_100000212188 [0,1,0,0,0,1|2,0,0]=4 4651 B11R0.139 CCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000212188 [0,1,0,0,0,1|2,0,0]=4 4652 B11R0.139 CCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000212188 [0,1,0,0,0,1|2,0,0]=4 4653 B11R0.139 CCCCCC(=O)N(C)C(C)C 527a_200000211004_100000212188 [0,1,0,0,0,1|2,0,0]=4 4654 B11R0.139 CCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210326 [0,1,0,0,0,1|2,0,0]=4 4655 B11R0.139 CCCCNC(=O)C(C)C(C)C 11a_100000102301_100000755409 [0,1,0,0,0,1|2,0,0]=4 4656 B11R0.139 CCCCNC(=O)C(C)C(C)C 1626a_100000102301_100000755409 [0,1,0,0,0,1|2,0,0]=4 4657 B11R0.139 CCCCNC(=O)C(C)C(C)C 240690a_100000102301_100000755409 [0,1,0,0,0,1|2,0,0]=4 4658 B11R0.139 CCCCNC(=O)C(C)C(C)C 527a_100000102301_100000755409 [0,1,0,0,0,1|2,0,0]=4 4659 B11R0.139 CCCCNC(=O)N(C)C(C)C 2708a_100000102301_200000211004 [0,1,0,0,0,1|2,0,0]=4 4660 B11R0.139 CCCCNC(=O)N(C)C(C)C 273464a_100000102301_200000211004 [0,1,0,0,0,1|2,0,0]=4 4661 B11R0.139 CCCCNC(=O)[C@H](O)C(C)C 240690a_100000102301_100000691806 [0,1,0,0,0,1|2,0,0]=4 4662 B11R0.139 CCCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000759602 [0,1,0,0,0,1|0,0,2]=4 4663 B11R0.139 CCCCOC(=O)C(C)N(C)C 2230a_100102631434_100000759602 [0,1,0,0,0,1|2,0,0]=4 4664 B11R0.139 CCCCOC(=O)C(C)N(C)C 269982a_100102631434_100000759602 [0,1,0,0,0,1|2,0,0]=4 4665 B11R0.154 C#CC(C)NC(=O)CCCCC 11a_100000707721_100000212188 [0,1,0,0,0,1|2,0,0]=4 4666 B11R0.154 C#CC(C)NC(=O)CCCCC 1626a_100000707721_100000212188 [0,1,0,0,0,1|2,0,0]=4 4667 B11R0.154 C#CC(C)NC(=O)CCCCC 240690a_100000707721_100000212188 [0,1,0,0,0,1|2,0,0]=4 4668 B11R0.154 C#CC(C)NC(=O)CCCCC 527a_100000707721_100000212188 [0,1,0,0,0,1|2,0,0]=4 4669 B11R0.154 C#CC(C)NC(=O)NCCCC 2708a_100000102301_100000707721 [0,1,0,0,0,1|2,0,0]=4 4670 B11R0.154 C#CC(C)NC(=O)NCCCC 2708a_100000707721_100000102301 [0,1,0,0,0,1|2,0,0]=4 4671 B11R0.154 C#CC(C)NC(=O)NCCCC 273464a_100000102301_100000707721 [0,1,0,0,0,1|2,0,0]=4 4672 B11R0.154 C#CC(C)NC(=O)NCCCC 273464a_100000707721_100000102301 [0,1,0,0,0,1|2,0,0]=4 4673 B11R0.154 C#CC(C)NC(=O)NCCCC 512a_100000102301_100000707721 [0,1,0,0,0,1|2,0,0]=4 4674 B11R0.154 C#CC(C)NC(=O)NCCCC 512a_100000707721_100000102301 [0,1,0,0,0,1|2,0,0]=4 4675 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [0,1,0,0,0,1|2,0,0]=4 4676 B11R0.154 C=CC(C)CC(=O)NCCCC 11a_100000102301_100011934298 [0,1,0,0,0,1|2,0,0]=4 4677 B11R0.154 C=CC(C)CC(=O)NCCCC 1626a_100000102301_100011934298 [0,1,0,0,0,1|2,0,0]=4 4678 B11R0.154 C=CC(C)CC(=O)NCCCC 240690a_100000102301_100011934298 [0,1,0,0,0,1|2,0,0]=4 4679 B11R0.154 C=CC(C)CC(=O)NCCCC 527a_100000102301_100011934298 [0,1,0,0,0,1|2,0,0]=4 4680 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,1,0,0,0,1|2,0,0]=4 4681 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,1,0,0,0,1|2,0,0]=4 4682 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,1,0,0,0,1|2,0,0]=4 4683 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [0,1,0,0,0,1|2,0,0]=4 4684 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [0,1,0,0,0,1|2,0,0]=4 4685 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [0,1,0,0,0,1|2,0,0]=4 4686 B11R0.154 CCC(O)CC(=O)NCCCF 1626a_100015189416_100011667805 [0,1,0,0,0,1|2,0,0]=4 4687 B11R0.154 CCC(O)CC(=O)NCCCF 240690a_100015189416_100011667805 [0,1,0,0,0,1|2,0,0]=4 4688 B11R0.154 CCC(O)CC(=O)NCCCO 240690a_100000182051_100011667805 [0,1,0,0,0,1|2,0,0]=4 4689 B11R0.154 CCC(O)CC(=O)NCCOC 1626a_100000209980_100011667805 [0,1,0,0,0,1|2,0,0]=4 4690 B11R0.154 CCC(O)CC(=O)NCCOC 240690a_100000209980_100011667805 [0,1,0,0,0,1|2,0,0]=4 4691 B11R0.154 CCC(O)CC(=O)NCCSC 1626a_100020590264_100011667805 [0,1,0,0,0,1|2,0,0]=4 4692 B11R0.154 CCC(O)CC(=O)NCCSC 240690a_100020590264_100011667805 [0,1,0,0,0,1|2,0,0]=4 4693 B11R0.154 CCCC#CC(=O)CC(O)CC 1458a_200011218047_100011218378 [0,1,0,0,0,1|1,0,1]=4 4694 B11R0.154 CCCC#CC(=O)C[C@@H](C)CO 1458a_200011218047_100000059175 [0,1,0,0,0,1|1,0,1]=4 4695 B11R0.154 CCCC#CC(=O)N[C@H](C)CO 240690a_100000737577_200011218047 [0,1,0,0,0,1|1,0,1]=4 4696 B11R0.154 CCCC=CC(=O)CC(O)CC 1458a_100000212230_100011218378 [0,1,0,0,0,1|1,0,1]=4 4697 B11R0.154 CCCC=CC(=O)C[C@@H](C)CO 1458a_100000212230_100000059175 [0,1,0,0,0,1|1,0,1]=4 4698 B11R0.154 CCCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000212230 [0,1,0,0,0,1|1,0,1]=4 4699 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,1,0,0,0,1|2,0,0]=4 4700 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,1,0,0,0,1|2,0,0]=4 4701 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,1,0,0,0,1|1,0,0]=3 4702 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,1,0,0,0,1|1,0,0]=3 4703 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,1,0,0,0,1|2,0,0]=4 4704 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,1,0,0,0,1|1,0,0]=3 4705 B11R0.154 CCCCCC(=O)NC(C)C#N 11a_100000737613_100000212188 [0,1,0,0,0,1|2,0,0]=4 4706 B11R0.154 CCCCCC(=O)NC(C)C#N 1626a_100000737613_100000212188 [0,1,0,0,0,1|2,0,0]=4 4707 B11R0.154 CCCCCC(=O)NC(C)C#N 527a_100000737613_100000212188 [0,1,0,0,0,1|2,0,0]=4 4708 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,1,0,0,0,1|2,0,0]=4 4709 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,1,0,0,0,1|2,0,0]=4 4710 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,1,0,0,0,1|2,0,0]=4 4711 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,1,0,0,0,1|2,0,0]=4 4712 B11R0.154 CCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000212188 [0,1,0,0,0,1|2,0,0]=4 4713 B11R0.154 CCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000212188 [0,1,0,0,0,1|2,0,0]=4 4714 B11R0.154 CCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000212188 [0,1,0,0,0,1|2,0,0]=4 4715 B11R0.154 CCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000212188 [0,1,0,0,0,1|2,0,0]=4 4716 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,1,0,0,0,1|1,0,0]=3 4717 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,1,0,0,0,1|1,0,0]=3 4718 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [0,1,0,0,0,1|2,0,0]=4 4719 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [0,1,0,0,0,1|2,0,0]=4 4720 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [0,1,0,0,0,1|2,0,0]=4 4721 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [0,1,0,0,0,1|2,0,0]=4 4722 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [0,1,0,0,0,1|1,0,0]=3 4723 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [0,1,0,0,0,1|1,0,0]=3 4724 B11R0.154 CCCCNC(=O)NC(C)C#N 2708a_100000102301_100000737613 [0,1,0,0,0,1|2,0,0]=4 4725 B11R0.154 CCCCNC(=O)NC(C)C#N 2708a_100000737613_100000102301 [0,1,0,0,0,1|2,0,0]=4 4726 B11R0.154 CCCCNC(=O)NC(C)C#N 273464a_100000102301_100000737613 [0,1,0,0,0,1|2,0,0]=4 4727 B11R0.154 CCCCNC(=O)NC(C)C#N 273464a_100000737613_100000102301 [0,1,0,0,0,1|2,0,0]=4 4728 B11R0.154 CCCCNC(=O)NC(C)C#N 512a_100000102301_100000737613 [0,1,0,0,0,1|2,0,0]=4 4729 B11R0.154 CCCCNC(=O)NC(C)C#N 512a_100000737613_100000102301 [0,1,0,0,0,1|2,0,0]=4 4730 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000102301_100000209981 [0,1,0,0,0,1|2,0,0]=4 4731 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000209981_100000102301 [0,1,0,0,0,1|2,0,0]=4 4732 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000102301_100000209981 [0,1,0,0,0,1|2,0,0]=4 4733 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000209981_100000102301 [0,1,0,0,0,1|2,0,0]=4 4734 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000102301_100000209981 [0,1,0,0,0,1|2,0,0]=4 4735 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000209981_100000102301 [0,1,0,0,0,1|2,0,0]=4 4736 B11R0.154 CCCCNC(=O)N[C@H](C)CF 2708a_100000102301_100102880703 [0,1,0,0,0,1|2,0,0]=4 4737 B11R0.154 CCCCNC(=O)N[C@H](C)CF 273464a_100000102301_100102880703 [0,1,0,0,0,1|2,0,0]=4 4738 B11R0.154 CCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000102301 [0,1,0,0,0,1|2,0,0]=4 4739 B11R0.154 CCCCNC(=O)N[C@H](C)CF 512a_100000102301_100102880703 [0,1,0,0,0,1|2,0,0]=4 4740 B11R0.154 CCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000102301 [0,1,0,0,0,1|2,0,0]=4 4741 B11R0.154 CCCCNC(=O)N[C@H](C)CO 2708a_100000102301_100000737577 [0,1,0,0,0,1|1,0,0]=3 4742 B11R0.154 CCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000102301 [0,1,0,0,0,1|1,0,0]=3 4743 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000102301_100000737577 [0,1,0,0,0,1|1,0,0]=3 4744 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000102301 [0,1,0,0,0,1|1,0,0]=3 4745 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,1,0,0,0,1|0,0,2]=4 4746 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [0,1,0,0,0,1|0,0,2]=4 4747 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [0,1,0,0,0,1|2,0,0]=4 4748 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [0,1,0,0,0,1|2,0,0]=4 4749 B11R0.154 CCCNNC(=O)CC(O)CC 22a_100000740057_100011667805 [0,1,0,0,0,1|2,0,0]=4 4750 B11R0.154 CCCNNC(=O)N[C@H](C)CO 273464a_100000737577_100000740057 [0,1,0,0,0,1|2,0,0]=4 4751 B11R0.154 CCCNNC(=O)N[C@H](C)CO 512a_100000737577_100000740057 [0,1,0,0,0,1|2,0,0]=4 4752 B11R0.154 CCCNNC(=O)N[C@H](C)CO 512a_100000740057_100000737577 [0,1,0,0,0,1|2,0,0]=4 4753 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [0,1,0,0,0,1|2,0,0]=4 4754 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [0,1,0,0,0,1|2,0,0]=4 4755 B11R0.154 CCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000745993 [0,1,0,0,0,1|2,0,0]=4 4756 B11R0.154 CCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000745993 [0,1,0,0,0,1|2,0,0]=4 4757 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [0,1,0,0,0,1|2,0,0]=4 4758 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [0,1,0,0,0,1|2,0,0]=4 4759 B11R0.154 CCCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000217233 [0,1,0,0,0,1|2,0,0]=4 4760 B11R0.154 CCCSCC(=O)N[C@H](C)CO 527a_100000737577_100000217233 [0,1,0,0,0,1|2,0,0]=4 4761 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [0,1,0,0,0,1|2,0,0]=4 4762 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [0,1,0,0,0,1|2,0,0]=4 4763 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [0,1,0,0,0,1|2,0,0]=4 4764 B11R0.154 CCOCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749530 [0,1,0,0,0,1|2,0,0]=4 4765 B11R0.154 CCOCCC(=O)N[C@H](C)CO 527a_100000737577_100000749530 [0,1,0,0,0,1|2,0,0]=4 4766 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [0,1,0,0,0,1|2,0,0]=4 4767 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [0,1,0,0,0,1|2,0,0]=4 4768 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [0,1,0,0,0,1|2,0,0]=4 4769 B11R0.154 CCSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000230768 [0,1,0,0,0,1|2,0,0]=4 4770 B11R0.154 CCSCCC(=O)N[C@H](C)CO 527a_100000737577_100000230768 [0,1,0,0,0,1|2,0,0]=4 4771 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [0,1,0,0,0,1|2,0,0]=4 4772 B11R0.154 COCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000741012 [0,1,0,0,0,1|2,0,0]=4 4773 B11R0.154 COCCCC(=O)N[C@H](C)CO 527a_100000737577_100000741012 [0,1,0,0,0,1|2,0,0]=4 4774 B11R0.154 COCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000209980 [0,1,0,0,0,1|2,0,0]=4 4775 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [0,1,0,0,0,1|2,0,0]=4 4776 B11R0.154 CSCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000173376 [0,1,0,0,0,1|2,0,0]=4 4777 B11R0.154 CSCCCC(=O)N[C@H](C)CO 527a_100000737577_100000173376 [0,1,0,0,0,1|2,0,0]=4 4778 B11R0.154 CSCCNC(=O)N[C@H](C)CO 2708a_100020590264_100000737577 [0,1,0,0,0,1|2,0,0]=4 4779 B11R0.154 CSCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020590264 [0,1,0,0,0,1|2,0,0]=4 4780 B11R0.154 CSCCNC(=O)N[C@H](C)CO 512a_100000737577_100020590264 [0,1,0,0,0,1|2,0,0]=4 4781 B11R0.154 CSCCNC(=O)N[C@H](C)CO 512a_100020590264_100000737577 [0,1,0,0,0,1|2,0,0]=4 4782 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [0,1,0,0,0,1|2,0,0]=4 4783 B11R0.154 C[C@H](CO)NC(=O)NCCCF 2708a_100015189416_100000737577 [0,1,0,0,0,1|2,0,0]=4 4784 B11R0.154 C[C@H](CO)NC(=O)NCCCF 273464a_100000737577_100015189416 [0,1,0,0,0,1|2,0,0]=4 4785 B11R0.154 C[C@H](CO)NC(=O)NCCCF 512a_100000737577_100015189416 [0,1,0,0,0,1|2,0,0]=4 4786 B11R0.154 C[C@H](CO)NC(=O)NCCCF 512a_100015189416_100000737577 [0,1,0,0,0,1|2,0,0]=4 4787 B11R0.154 C[C@H](CO)NC(=O)NCCCO 273464a_100000737577_100000182051 [0,1,0,0,0,1|2,0,0]=4 4788 B11R0.154 C[C@H](CO)NC(=O)NCCCO 512a_100000737577_100000182051 [0,1,0,0,0,1|2,0,0]=4 4789 B11R0.165 CC(C)(O)CC(=O)CCCCF 1458a_100000693243_100000729493 [0,1,0,0,0,1|2,0,0]=4 4790 B11R0.165 CC(C)(O)CC(=O)CCCCO 1458a_100000693243_100000210776 [0,1,0,0,0,1|2,0,0]=4 4791 B11R0.165 CC(C)(O)CC(=O)NCCCF 527a_100015189416_100000693243 [0,1,0,0,0,1|2,0,0]=4 4792 B11R0.165 CC(C)(O)CC(=O)NCCCO 527a_100000182051_100000693243 [0,1,0,0,0,1|2,0,0]=4 4793 B11R0.165 CCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210326 [0,1,0,0,0,1|2,0,0]=4 4794 B11R0.165 CCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210326 [0,1,0,0,0,1|1,0,0]=3 4795 B11R0.165 CCCCCC(=O)NC(C)(C)C 11a_100000715429_100000212188 [0,1,0,0,0,1|2,0,0]=4 4796 B11R0.165 CCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000212188 [0,1,0,0,0,1|2,0,0]=4 4797 B11R0.165 CCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000212188 [0,1,0,0,0,1|2,0,0]=4 4798 B11R0.165 CCCCCC(=O)NC(C)(C)C 527a_100000715429_100000212188 [0,1,0,0,0,1|2,0,0]=4 4799 B11R0.165 CCCCNC(=O)CC(C)(C)C 11a_100000102301_100000211214 [0,1,0,0,0,1|2,0,0]=4 4800 B11R0.165 CCCCNC(=O)CC(C)(C)C 1626a_100000102301_100000211214 [0,1,0,0,0,1|2,0,0]=4 4801 B11R0.165 CCCCNC(=O)CC(C)(C)C 240690a_100000102301_100000211214 [0,1,0,0,0,1|2,0,0]=4 4802 B11R0.165 CCCCNC(=O)CC(C)(C)C 527a_100000102301_100000211214 [0,1,0,0,0,1|2,0,0]=4 4803 B11R0.165 CCCCNC(=O)CC(C)(C)O 527a_100000102301_100000693243 [0,1,0,0,0,1|1,0,0]=3 4804 B11R0.165 CCCCNC(=O)NC(C)(C)C 2708a_100000102301_100000715429 [0,1,0,0,0,1|2,0,0]=4 4805 B11R0.165 CCCCNC(=O)NC(C)(C)C 273464a_100000102301_100000715429 [0,1,0,0,0,1|2,0,0]=4 4806 B11R0.165 CCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000102301 [0,1,0,0,0,1|2,0,0]=4 4807 B11R0.165 CCCCNC(=O)NC(C)(C)C 512a_100000715429_100000102301 [0,1,0,0,0,1|2,0,0]=4 4808 B11R0.165 CCCNNC(=O)CC(C)(C)O 22a_100000740057_100000693243 [0,1,0,0,0,1|2,0,0]=4 4809 B11R0.165 CCNCOC(=O)CC(C)(C)C 2230a_100015525214_200010999194 [0,1,0,0,0,1|2,0,0]=4 4810 B11R0.165 CCOCCC(=O)CC(C)(C)O 1458a_100000693243_100011215890 [0,1,0,0,0,1|2,0,0]=4 4811 B11R0.165 CCOCOC(=O)CC(C)(C)C 34a_100121572206_200010999194 [0,1,0,0,0,1|2,0,0]=4 4812 B11R0.165 CCSCCC(=O)CC(C)(C)O 1458a_100000693243_100000757381 [0,1,0,0,0,1|2,0,0]=4 4813 B11R0.165 CCSCOC(=O)CC(C)(C)C 62a_100000210202_200010999194 [0,1,0,0,0,1|2,0,0]=4 4814 B11R0.165 CCSCOC(=O)CC(C)(C)C 62a_200010999194_100000210202 [0,1,0,0,0,1|2,0,0]=4 4815 B11R0.165 COCCCC(=O)CC(C)(C)O 1458a_100000693243_100000740836 [0,1,0,0,0,1|2,0,0]=4 4816 B11R0.165 COCCNC(=O)CC(C)(C)O 527a_100000209980_100000693243 [0,1,0,0,0,1|2,0,0]=4 4817 B11R0.165 CSCCNC(=O)CC(C)(C)O 527a_100020590264_100000693243 [0,1,0,0,0,1|2,0,0]=4 4818 B11R0.54 CCCC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000747444 [0,2,0,0,0,0|1,0,1]=4 4819 B11R0.54 CCCC(C)CC(=O)C(C)(C)C 1458a_106744555173_100011216630 [0,2,0,0,0,0|2,0,0]=4 4820 B11R0.54 CCCC(C)CC(=O)C(C)(C)F 1458a_100000765255_100011216630 [0,2,0,0,0,0|2,0,0]=4 4821 B11R0.54 CCCC(C)CC(=O)C(C)(C)O 1458a_100000242741_100011216630 [0,2,0,0,0,0|1,0,0]=3 4822 B11R0.54 CCCC(C)NC(=O)C(C)(C)C 11a_100000741246_106744555173 [0,2,0,0,0,0|2,0,0]=4 4823 B11R0.54 CCCC(C)NC(=O)C(C)(C)C 1626a_100000741246_106744555173 [0,2,0,0,0,0|2,0,0]=4 4824 B11R0.54 CCCC(C)NC(=O)C(C)(C)C 240690a_100000741246_106744555173 [0,2,0,0,0,0|2,0,0]=4 4825 B11R0.54 CCCC(C)NC(=O)C(C)(C)C 527a_100000741246_106744555173 [0,2,0,0,0,0|2,0,0]=4 4826 B11R0.54 CCCC(C)NC(=O)C(C)(C)F 11a_100000741246_100000765255 [0,2,0,0,0,0|2,0,0]=4 4827 B11R0.54 CCCC(C)NC(=O)C(C)(C)F 1626a_100000741246_100000765255 [0,2,0,0,0,0|2,0,0]=4 4828 B11R0.54 CCCC(C)NC(=O)C(C)(C)F 240690a_100000741246_100000765255 [0,2,0,0,0,0|2,0,0]=4 4829 B11R0.54 CCCC(C)NC(=O)C(C)(C)F 527a_100000741246_100000765255 [0,2,0,0,0,0|2,0,0]=4 4830 B11R0.54 CCCC(C)NC(=O)C(C)(C)O 240690a_100000741246_100000242741 [0,2,0,0,0,0|1,0,0]=3 4831 B11R0.54 CCCC(C)NC(=O)C(C)(F)F 11a_100000741246_100000042251 [0,2,0,0,0,0|2,0,0]=4 4832 B11R0.54 CCCC(C)NC(=O)C(C)(F)F 1626a_100000741246_100000042251 [0,2,0,0,0,0|2,0,0]=4 4833 B11R0.54 CCCC(C)NC(=O)C(C)(F)F 240690a_100000741246_100000042251 [0,2,0,0,0,0|2,0,0]=4 4834 B11R0.54 CCCC(C)NC(=O)C(C)(F)F 527a_100000741246_100000042251 [0,2,0,0,0,0|2,0,0]=4 4835 B11R0.54 COC[C@@H](C)NC(=O)C(C)(C)O 240690a_100000764878_100000242741 [0,2,0,0,0,0|2,0,0]=4 4836 B11R0.54 C[C@H](CCO)NC(=O)C(C)(C)O 240690a_100000706166_100000242741 [0,2,0,0,0,0|2,0,0]=4 4837 B11R0.71 CCCCC(C)C(=O)C(C)(C)C 1458a_106744555173_200011215066 [0,2,0,0,0,0|2,0,0]=4 4838 B11R0.71 CCCCC(C)C(=O)C(C)(C)F 1458a_100000765255_200011215066 [0,2,0,0,0,0|2,0,0]=4 4839 B11R0.71 CCCCC(C)C(=O)C(C)(C)O 1458a_100000242741_200011215066 [0,2,0,0,0,0|1,0,0]=3 4840 B11R0.71 CCCCN(C)C(=O)C(C)(C)C 11a_100000207549_106744555173 [0,2,0,0,0,0|2,0,0]=4 4841 B11R0.71 CCCCN(C)C(=O)C(C)(C)C 1626a_100000207549_106744555173 [0,2,0,0,0,0|2,0,0]=4 4842 B11R0.71 CCCCN(C)C(=O)C(C)(C)C 240690a_100000207549_106744555173 [0,2,0,0,0,0|2,0,0]=4 4843 B11R0.71 CCCCN(C)C(=O)C(C)(C)C 527a_100000207549_106744555173 [0,2,0,0,0,0|2,0,0]=4 4844 B11R0.71 CCCCN(C)C(=O)C(C)(C)F 11a_100000207549_100000765255 [0,2,0,0,0,0|2,0,0]=4 4845 B11R0.71 CCCCN(C)C(=O)C(C)(C)F 1626a_100000207549_100000765255 [0,2,0,0,0,0|2,0,0]=4 4846 B11R0.71 CCCCN(C)C(=O)C(C)(C)F 240690a_100000207549_100000765255 [0,2,0,0,0,0|2,0,0]=4 4847 B11R0.71 CCCCN(C)C(=O)C(C)(C)F 527a_100000207549_100000765255 [0,2,0,0,0,0|2,0,0]=4 4848 B11R0.71 CCCCN(C)C(=O)C(C)(C)O 240690a_100000207549_100000242741 [0,2,0,0,0,0|1,0,0]=3 4849 B11R0.71 CCCCN(C)C(=O)C(C)(F)F 11a_100000207549_100000042251 [0,2,0,0,0,0|2,0,0]=4 4850 B11R0.71 CCCCN(C)C(=O)C(C)(F)F 1626a_100000207549_100000042251 [0,2,0,0,0,0|2,0,0]=4 4851 B11R0.71 CCCCN(C)C(=O)C(C)(F)F 240690a_100000207549_100000042251 [0,2,0,0,0,0|2,0,0]=4 4852 B11R0.71 CCCCN(C)C(=O)C(C)(F)F 527a_100000207549_100000042251 [0,2,0,0,0,0|2,0,0]=4 4853 B11R0.71 CN(CCCO)C(=O)C(C)(C)O 240690a_100000213112_100000242741 [0,2,0,0,0,0|2,0,0]=4 4854 B11R0.71 COCCN(C)C(=O)C(C)(C)O 240690a_100000743101_100000242741 [0,2,0,0,0,0|2,0,0]=4 4855 B11R0.71 CSCCN(C)C(=O)C(C)(C)O 240690a_100000686725_100000242741 [0,2,0,0,0,0|2,0,0]=4 4856 B11R0.84 CC(=O)CCCC(=O)C(C)(C)O 1458a_100000242741_100011215641 [0,2,0,0,0,0|1,0,1]=4 4857 B11R0.84 CC(C)CCCC(=O)C(C)(C)C 1458a_106744555173_100011214892 [0,2,0,0,0,0|2,0,0]=4 4858 B11R0.84 CC(C)CCCC(=O)C(C)(C)F 1458a_100000765255_100011214892 [0,2,0,0,0,0|2,0,0]=4 4859 B11R0.84 CC(C)CCCC(=O)C(C)(C)O 1458a_100000242741_100011214892 [0,2,0,0,0,0|1,0,0]=3 4860 B11R0.84 CC(C)CCNC(=O)C(C)(C)C 11a_100000210545_106744555173 [0,2,0,0,0,0|2,0,0]=4 4861 B11R0.84 CC(C)CCNC(=O)C(C)(C)C 1626a_100000210545_106744555173 [0,2,0,0,0,0|2,0,0]=4 4862 B11R0.84 CC(C)CCNC(=O)C(C)(C)C 240690a_100000210545_106744555173 [0,2,0,0,0,0|2,0,0]=4 4863 B11R0.84 CC(C)CCNC(=O)C(C)(C)C 527a_100000210545_106744555173 [0,2,0,0,0,0|2,0,0]=4 4864 B11R0.84 CC(C)CCNC(=O)C(C)(C)F 11a_100000210545_100000765255 [0,2,0,0,0,0|2,0,0]=4 4865 B11R0.84 CC(C)CCNC(=O)C(C)(C)F 1626a_100000210545_100000765255 [0,2,0,0,0,0|2,0,0]=4 4866 B11R0.84 CC(C)CCNC(=O)C(C)(C)F 240690a_100000210545_100000765255 [0,2,0,0,0,0|2,0,0]=4 4867 B11R0.84 CC(C)CCNC(=O)C(C)(C)F 527a_100000210545_100000765255 [0,2,0,0,0,0|2,0,0]=4 4868 B11R0.84 CC(C)CCNC(=O)C(C)(C)O 240690a_100000210545_100000242741 [0,2,0,0,0,0|1,0,0]=3 4869 B11R0.84 CC(C)CCNC(=O)C(C)(F)F 11a_100000210545_100000042251 [0,2,0,0,0,0|2,0,0]=4 4870 B11R0.84 CC(C)CCNC(=O)C(C)(F)F 1626a_100000210545_100000042251 [0,2,0,0,0,0|2,0,0]=4 4871 B11R0.84 CC(C)CCNC(=O)C(C)(F)F 240690a_100000210545_100000042251 [0,2,0,0,0,0|2,0,0]=4 4872 B11R0.84 CC(C)CCNC(=O)C(C)(F)F 527a_100000210545_100000042251 [0,2,0,0,0,0|2,0,0]=4 4873 B11R0.84 CC(C)CNNC(=O)C(C)(C)O 22a_100000696102_100000242741 [0,2,0,0,0,0|2,0,0]=4 4874 B11R0.84 CC(C)OCCC(=O)C(C)(C)O 1458a_100000242741_100000211751 [0,2,0,0,0,0|2,0,0]=4 4875 B11R0.84 CC(C)SCCC(=O)C(C)(C)O 1458a_100000242741_100000730970 [0,2,0,0,0,0|2,0,0]=4 4876 B11R0.84 CC(C)SCOC(=O)C(C)(C)C 62a_100000032063_100000210206 [0,2,0,0,0,0|2,0,0]=4 4877 B11R0.84 CC(C)SCOC(=O)C(C)(C)C 62a_100000210206_100000032063 [0,2,0,0,0,0|2,0,0]=4 4878 B11R0.84 CC(O)CCCC(=O)C(C)(C)C 1458a_106744555173_200000718107 [0,2,0,0,0,0|2,0,0]=4 4879 B11R0.84 CC(O)CCCC(=O)C(C)(C)F 1458a_100000765255_200000718107 [0,2,0,0,0,0|2,0,0]=4 4880 B11R0.84 CC(O)CCCC(=O)C(C)(C)O 1458a_100000242741_200000718107 [0,2,0,0,0,0|1,0,0]=3 4881 B11R0.84 CC(O)CCNC(=O)C(C)(C)C 240690a_200000755665_106744555173 [0,2,0,0,0,0|2,0,0]=4 4882 B11R0.84 CC(O)CCNC(=O)C(C)(C)C 527a_200000755665_106744555173 [0,2,0,0,0,0|2,0,0]=4 4883 B11R0.84 CC(O)CCNC(=O)C(C)(C)F 240690a_200000755665_100000765255 [0,2,0,0,0,0|2,0,0]=4 4884 B11R0.84 CC(O)CCNC(=O)C(C)(C)F 527a_200000755665_100000765255 [0,2,0,0,0,0|2,0,0]=4 4885 B11R0.84 CC(O)CCNC(=O)C(C)(C)O 240690a_200000755665_100000242741 [0,2,0,0,0,0|1,0,0]=3 4886 B11R0.84 CC(O)CCNC(=O)C(C)(F)F 240690a_200000755665_100000042251 [0,2,0,0,0,0|2,0,0]=4 4887 B11R0.84 CC(O)CCNC(=O)C(C)(F)F 527a_200000755665_100000042251 [0,2,0,0,0,0|2,0,0]=4 4888 B11R0.84 CC(O)CNNC(=O)C(C)(C)O 22a_200000730056_100000242741 [0,2,0,0,0,0|2,0,0]=4 4889 B11R0.84 CN(C)CCCC(=O)C(C)(C)O 1458a_100000242741_100000695564 [0,2,0,0,0,0|2,0,0]=4 4890 B11R0.84 CN(C)CCNC(=O)C(C)(C)O 240690a_100000210585_100000242741 [0,2,0,0,0,0|2,0,0]=4 4891 B11R0.87 C#CC(C)(C)C(=O)CCCCC 1458a_100000079900_100000210326 [0,2,0,0,0,0|2,0,0]=4 4892 B11R0.87 C#CC(C)(C)C(=O)CCCCC 1458a_100000212188_100000038118 [0,2,0,0,0,0|2,0,0]=4 4893 B11R0.87 C#CC(C)(C)C(=O)NCCCC 11a_100000102301_100000079900 [0,2,0,0,0,0|2,0,0]=4 4894 B11R0.87 C#CC(C)(C)C(=O)NCCCC 1626a_100000102301_100000079900 [0,2,0,0,0,0|2,0,0]=4 4895 B11R0.87 C#CC(C)(C)C(=O)NCCCC 240690a_100000102301_100000079900 [0,2,0,0,0,0|2,0,0]=4 4896 B11R0.87 C#CC(C)(C)C(=O)NCCCC 527a_100000102301_100000079900 [0,2,0,0,0,0|2,0,0]=4 4897 B11R0.87 C=CC(C)(C)C(=O)CCCCC 1458a_100012027013_100000210326 [0,2,0,0,0,0|2,0,0]=4 4898 B11R0.87 C=CC(C)(C)C(=O)NCCCC 11a_100000102301_100012027013 [0,2,0,0,0,0|2,0,0]=4 4899 B11R0.87 C=CC(C)(C)C(=O)NCCCC 1626a_100000102301_100012027013 [0,2,0,0,0,0|2,0,0]=4 4900 B11R0.87 C=CC(C)(C)C(=O)NCCCC 240690a_100000102301_100012027013 [0,2,0,0,0,0|2,0,0]=4 4901 B11R0.87 C=CC(C)(C)C(=O)NCCCC 527a_100000102301_100012027013 [0,2,0,0,0,0|2,0,0]=4 4902 B11R0.87 CC(C)(CO)C(=O)CCCCF 1458a_100000749806_100000729493 [0,2,0,0,0,0|2,0,0]=4 4903 B11R0.87 CC(C)(CO)C(=O)CCCCO 1458a_100000749806_100000210776 [0,2,0,0,0,0|2,0,0]=4 4904 B11R0.87 CC(C)(CO)C(=O)NCCCF 1626a_100015189416_100000749806 [0,2,0,0,0,0|2,0,0]=4 4905 B11R0.87 CC(C)(CO)C(=O)NCCCF 240690a_100015189416_100000749806 [0,2,0,0,0,0|2,0,0]=4 4906 B11R0.87 CC(C)(CO)C(=O)NCCCF 527a_100015189416_100000749806 [0,2,0,0,0,0|2,0,0]=4 4907 B11R0.87 CC(C)(CO)C(=O)NCCCO 240690a_100000182051_100000749806 [0,2,0,0,0,0|2,0,0]=4 4908 B11R0.87 CC(C)(CO)C(=O)NCCCO 527a_100000182051_100000749806 [0,2,0,0,0,0|2,0,0]=4 4909 B11R0.87 CCC(C)(O)C(=O)CCCCF 1458a_100011219770_100000729493 [0,2,0,0,0,0|2,0,0]=4 4910 B11R0.87 CCC(C)(O)C(=O)CCCCO 1458a_100011219770_100000210776 [0,2,0,0,0,0|2,0,0]=4 4911 B11R0.87 CCC(C)(O)C(=O)CCCOC 1458a_100011219770_100000740836 [0,2,0,0,0,0|2,0,0]=4 4912 B11R0.87 CCC(C)(O)C(=O)NCCCF 240690a_100015189416_100011219770 [0,2,0,0,0,0|2,0,0]=4 4913 B11R0.87 CCC(C)(O)C(=O)NCCCO 240690a_100000182051_100011219770 [0,2,0,0,0,0|2,0,0]=4 4914 B11R0.87 CCC(C)(O)C(=O)NCCOC 240690a_100000209980_100011219770 [0,2,0,0,0,0|2,0,0]=4 4915 B11R0.87 CCC(C)(O)C(=O)NCCSC 240690a_100020590264_100011219770 [0,2,0,0,0,0|2,0,0]=4 4916 B11R0.87 CCCCCC(=O)C(C)(C)C#N 1458a_100000740761_100000210326 [0,2,0,0,0,0|2,0,0]=4 4917 B11R0.87 CCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210326 [0,2,0,0,0,0|2,0,0]=4 4918 B11R0.87 CCCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210326 [0,2,0,0,0,0|2,0,0]=4 4919 B11R0.87 CCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210326 [0,2,0,0,0,0|1,0,0]=3 4920 B11R0.87 CCCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210326 [0,2,0,0,0,0|1,0,0]=3 4921 B11R0.87 CCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210326 [0,2,0,0,0,0|1,0,0]=3 4922 B11R0.87 CCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210326 [0,2,0,0,0,0|2,0,0]=4 4923 B11R0.87 CCCCNC(=O)C(C)(C)C#N 11a_100000102301_100000740761 [0,2,0,0,0,0|2,0,0]=4 4924 B11R0.87 CCCCNC(=O)C(C)(C)C#N 1626a_100000102301_100000740761 [0,2,0,0,0,0|2,0,0]=4 4925 B11R0.87 CCCCNC(=O)C(C)(C)C#N 240690a_100000102301_100000740761 [0,2,0,0,0,0|2,0,0]=4 4926 B11R0.87 CCCCNC(=O)C(C)(C)C#N 527a_100000102301_100000740761 [0,2,0,0,0,0|2,0,0]=4 4927 B11R0.87 CCCCNC(=O)C(C)(C)CC 11a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 4928 B11R0.87 CCCCNC(=O)C(C)(C)CC 1626a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 4929 B11R0.87 CCCCNC(=O)C(C)(C)CC 240690a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 4930 B11R0.87 CCCCNC(=O)C(C)(C)CC 527a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 4931 B11R0.87 CCCCNC(=O)C(C)(C)CF 11a_100000102301_100000138116 [0,2,0,0,0,0|2,0,0]=4 4932 B11R0.87 CCCCNC(=O)C(C)(C)CF 1626a_100000102301_100000138116 [0,2,0,0,0,0|2,0,0]=4 4933 B11R0.87 CCCCNC(=O)C(C)(C)CF 240690a_100000102301_100000138116 [0,2,0,0,0,0|2,0,0]=4 4934 B11R0.87 CCCCNC(=O)C(C)(C)CF 527a_100000102301_100000138116 [0,2,0,0,0,0|2,0,0]=4 4935 B11R0.87 CCCCNC(=O)C(C)(C)CO 1626a_100000102301_100000749806 [0,2,0,0,0,0|1,0,0]=3 4936 B11R0.87 CCCCNC(=O)C(C)(C)CO 240690a_100000102301_100000749806 [0,2,0,0,0,0|1,0,0]=3 4937 B11R0.87 CCCCNC(=O)C(C)(C)CO 527a_100000102301_100000749806 [0,2,0,0,0,0|1,0,0]=3 4938 B11R0.87 CCCCNC(=O)C(C)(C)OC 11a_100000102301_100000753492 [0,2,0,0,0,0|1,0,0]=3 4939 B11R0.87 CCCCNC(=O)C(C)(C)OC 1626a_100000102301_100000753492 [0,2,0,0,0,0|1,0,0]=3 4940 B11R0.87 CCCCNC(=O)C(C)(C)OC 240690a_100000102301_100000753492 [0,2,0,0,0,0|1,0,0]=3 4941 B11R0.87 CCCCNC(=O)C(C)(C)OC 527a_100000102301_100000753492 [0,2,0,0,0,0|1,0,0]=3 4942 B11R0.87 CCCCNC(=O)C(C)(O)CC 240690a_100000102301_100011219770 [0,2,0,0,0,0|1,0,0]=3 4943 B11R0.87 CCCCNC(=O)C(F)(F)CC 11a_100000102301_100000061896 [0,2,0,0,0,0|2,0,0]=4 4944 B11R0.87 CCCCNC(=O)C(F)(F)CC 1626a_100000102301_100000061896 [0,2,0,0,0,0|2,0,0]=4 4945 B11R0.87 CCCCNC(=O)C(F)(F)CC 240690a_100000102301_100000061896 [0,2,0,0,0,0|2,0,0]=4 4946 B11R0.87 CCCCNC(=O)C(F)(F)CC 527a_100000102301_100000061896 [0,2,0,0,0,0|2,0,0]=4 4947 B11R0.87 CCCNNC(=O)C(C)(C)CO 22a_100000740057_100000749806 [0,2,0,0,0,0|2,0,0]=4 4948 B11R0.87 CCCNNC(=O)C(C)(C)OC 22a_100000740057_100000753492 [0,2,0,0,0,0|2,0,0]=4 4949 B11R0.87 CCCNNC(=O)C(C)(O)CC 22a_100000740057_100011219770 [0,2,0,0,0,0|2,0,0]=4 4950 B11R0.87 CCOCCC(=O)C(C)(C)CO 1458a_100000749806_100011215890 [0,2,0,0,0,0|2,0,0]=4 4951 B11R0.87 CCOCCC(=O)C(C)(C)OC 1458a_100000753492_100011215890 [0,2,0,0,0,0|2,0,0]=4 4952 B11R0.87 CCOCCC(=O)C(C)(O)CC 1458a_100011219770_100011215890 [0,2,0,0,0,0|2,0,0]=4 4953 B11R0.87 CCSCCC(=O)C(C)(C)CO 1458a_100000749806_100000757381 [0,2,0,0,0,0|2,0,0]=4 4954 B11R0.87 CCSCCC(=O)C(C)(C)OC 1458a_100000753492_100000757381 [0,2,0,0,0,0|2,0,0]=4 4955 B11R0.87 CCSCCC(=O)C(C)(O)CC 1458a_100011219770_100000757381 [0,2,0,0,0,0|2,0,0]=4 4956 B11R0.87 COC(C)(C)C(=O)CCCCF 1458a_100000753492_100000729493 [0,2,0,0,0,0|2,0,0]=4 4957 B11R0.87 COC(C)(C)C(=O)CCCCO 1458a_100000753492_100000210776 [0,2,0,0,0,0|2,0,0]=4 4958 B11R0.87 COC(C)(C)C(=O)NCCCF 11a_100015189416_100000753492 [0,2,0,0,0,0|2,0,0]=4 4959 B11R0.87 COC(C)(C)C(=O)NCCCF 1626a_100015189416_100000753492 [0,2,0,0,0,0|2,0,0]=4 4960 B11R0.87 COC(C)(C)C(=O)NCCCF 240690a_100015189416_100000753492 [0,2,0,0,0,0|2,0,0]=4 4961 B11R0.87 COC(C)(C)C(=O)NCCCF 527a_100015189416_100000753492 [0,2,0,0,0,0|2,0,0]=4 4962 B11R0.87 COC(C)(C)C(=O)NCCCO 240690a_100000182051_100000753492 [0,2,0,0,0,0|2,0,0]=4 4963 B11R0.87 COC(C)(C)C(=O)NCCCO 527a_100000182051_100000753492 [0,2,0,0,0,0|2,0,0]=4 4964 B11R0.87 COC(C)(C)C(=O)NCCSC 11a_100020590264_100000753492 [0,2,0,0,0,0|2,0,0]=4 4965 B11R0.87 COC(C)(C)C(=O)NCCSC 1626a_100020590264_100000753492 [0,2,0,0,0,0|2,0,0]=4 4966 B11R0.87 COC(C)(C)C(=O)NCCSC 240690a_100020590264_100000753492 [0,2,0,0,0,0|2,0,0]=4 4967 B11R0.87 COC(C)(C)C(=O)NCCSC 527a_100020590264_100000753492 [0,2,0,0,0,0|2,0,0]=4 4968 B11R0.87 COCCCC(=O)C(C)(C)CO 1458a_100000749806_100000740836 [0,2,0,0,0,0|2,0,0]=4 4969 B11R0.87 COCCCC(=O)C(C)(C)OC 1458a_100000753492_100000740836 [0,2,0,0,0,0|2,0,0]=4 4970 B11R0.87 COCCNC(=O)C(C)(C)CO 1626a_100000209980_100000749806 [0,2,0,0,0,0|2,0,0]=4 4971 B11R0.87 COCCNC(=O)C(C)(C)CO 240690a_100000209980_100000749806 [0,2,0,0,0,0|2,0,0]=4 4972 B11R0.87 COCCNC(=O)C(C)(C)CO 527a_100000209980_100000749806 [0,2,0,0,0,0|2,0,0]=4 4973 B11R0.87 COCCNC(=O)C(C)(C)OC 1626a_100000209980_100000753492 [0,2,0,0,0,0|2,0,0]=4 4974 B11R0.87 COCCNC(=O)C(C)(C)OC 240690a_100000209980_100000753492 [0,2,0,0,0,0|2,0,0]=4 4975 B11R0.87 COCCNC(=O)C(C)(C)OC 527a_100000209980_100000753492 [0,2,0,0,0,0|2,0,0]=4 4976 B11R0.87 CSCCNC(=O)C(C)(C)CO 1626a_100020590264_100000749806 [0,2,0,0,0,0|2,0,0]=4 4977 B11R0.87 CSCCNC(=O)C(C)(C)CO 240690a_100020590264_100000749806 [0,2,0,0,0,0|2,0,0]=4 4978 B11R0.87 CSCCNC(=O)C(C)(C)CO 527a_100020590264_100000749806 [0,2,0,0,0,0|2,0,0]=4 4979 B11R0.89 CC(C)(O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000242741 [0,2,0,0,0,0|2,0,0]=4 4980 B11R0.89 CC(C)(O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000242741 [0,2,0,0,0,0|2,0,0]=4 4981 B11R0.89 CC(CO)CNC(=O)C(C)(C)O 240690a_100000744482_100000242741 [0,2,0,0,0,0|2,0,0]=4 4982 B11R0.89 CCC(=O)COC(=O)C(C)(C)C 1458a_100000210414_100000032063 [0,2,0,0,0,0|1,0,1]=4 4983 B11R0.89 CCC(C)CNC(=O)C(C)(C)C 11a_100020588543_106744555173 [0,2,0,0,0,0|2,0,0]=4 4984 B11R0.89 CCC(C)CNC(=O)C(C)(C)C 1626a_100020588543_106744555173 [0,2,0,0,0,0|2,0,0]=4 4985 B11R0.89 CCC(C)CNC(=O)C(C)(C)C 240690a_100020588543_106744555173 [0,2,0,0,0,0|2,0,0]=4 4986 B11R0.89 CCC(C)CNC(=O)C(C)(C)C 527a_100020588543_106744555173 [0,2,0,0,0,0|2,0,0]=4 4987 B11R0.89 CCC(C)CNC(=O)C(C)(C)F 11a_100020588543_100000765255 [0,2,0,0,0,0|2,0,0]=4 4988 B11R0.89 CCC(C)CNC(=O)C(C)(C)F 1626a_100020588543_100000765255 [0,2,0,0,0,0|2,0,0]=4 4989 B11R0.89 CCC(C)CNC(=O)C(C)(C)F 240690a_100020588543_100000765255 [0,2,0,0,0,0|2,0,0]=4 4990 B11R0.89 CCC(C)CNC(=O)C(C)(C)F 527a_100020588543_100000765255 [0,2,0,0,0,0|2,0,0]=4 4991 B11R0.89 CCC(C)CNC(=O)C(C)(C)O 240690a_100020588543_100000242741 [0,2,0,0,0,0|1,0,0]=3 4992 B11R0.89 CCC(C)CNC(=O)C(C)(F)F 11a_100020588543_100000042251 [0,2,0,0,0,0|2,0,0]=4 4993 B11R0.89 CCC(C)CNC(=O)C(C)(F)F 1626a_100020588543_100000042251 [0,2,0,0,0,0|2,0,0]=4 4994 B11R0.89 CCC(C)CNC(=O)C(C)(F)F 240690a_100020588543_100000042251 [0,2,0,0,0,0|2,0,0]=4 4995 B11R0.89 CCC(C)CNC(=O)C(C)(F)F 527a_100020588543_100000042251 [0,2,0,0,0,0|2,0,0]=4 4996 B11R0.89 CCC(C)NNC(=O)C(C)(C)O 22a_100000718999_100000242741 [0,2,0,0,0,0|2,0,0]=4 4997 B11R0.89 CCC(O)CNC(=O)C(C)(C)C 11a_100011218483_106744555173 [0,2,0,0,0,0|2,0,0]=4 4998 B11R0.89 CCC(O)CNC(=O)C(C)(C)C 240690a_100011218483_106744555173 [0,2,0,0,0,0|2,0,0]=4 4999 B11R0.89 CCC(O)CNC(=O)C(C)(C)C 527a_100011218483_106744555173 [0,2,0,0,0,0|2,0,0]=4 5000 B11R0.89 CCC(O)CNC(=O)C(C)(C)F 11a_100011218483_100000765255 [0,2,0,0,0,0|2,0,0]=4 5001 B11R0.89 CCC(O)CNC(=O)C(C)(C)F 240690a_100011218483_100000765255 [0,2,0,0,0,0|2,0,0]=4 5002 B11R0.89 CCC(O)CNC(=O)C(C)(C)F 527a_100011218483_100000765255 [0,2,0,0,0,0|2,0,0]=4 5003 B11R0.89 CCC(O)CNC(=O)C(C)(C)O 240690a_100011218483_100000242741 [0,2,0,0,0,0|1,0,0]=3 5004 B11R0.89 CCC(O)CNC(=O)C(C)(F)F 11a_100011218483_100000042251 [0,2,0,0,0,0|2,0,0]=4 5005 B11R0.89 CCC(O)CNC(=O)C(C)(F)F 240690a_100011218483_100000042251 [0,2,0,0,0,0|2,0,0]=4 5006 B11R0.89 CCC(O)CNC(=O)C(C)(F)F 527a_100011218483_100000042251 [0,2,0,0,0,0|2,0,0]=4 5007 B11R0.89 CO[C@H](C)CNC(=O)C(C)(C)O 240690a_100020591295_100000242741 [0,2,0,0,0,0|2,0,0]=4 5008 B11R0.151 C#CCCCCC(=O)C(C)(C)O 1458a_100000242741_100010269958 [0,2,0,0,0,0|1,0,1]=4 5009 B11R0.151 C#CCCCNC(=O)C(C)(C)O 240690a_100000718082_100000242741 [0,2,0,0,0,0|1,0,1]=4 5010 B11R0.151 C=CCCCCC(=O)C(C)(C)O 1458a_100000242741_100011215482 [0,2,0,0,0,0|1,0,1]=4 5011 B11R0.151 C=CCCCNC(=O)C(C)(C)O 240690a_100000700776_100000242741 [0,2,0,0,0,0|1,0,1]=4 5012 B11R0.151 CC(C)(Br)C(=O)OCCOCF 34a_100009817195_100015361967 [0,2,0,0,0,0|2,0,0]=4 5013 B11R0.151 CC(C)(Br)C(=O)OCCOCF 7a_100009817195_100015361967 [0,2,0,0,0,0|2,0,0]=4 5014 B11R0.151 CC(C)(C)C(=O)CCCCCF 1458a_106744555173_100000729378 [0,2,0,0,0,0|2,0,0]=4 5015 B11R0.151 CC(C)(C)C(=O)CCCCCO 1458a_106744555173_100000746330 [0,2,0,0,0,0|2,0,0]=4 5016 B11R0.151 CC(C)(C)C(=O)COCCCBr 34a_100011217188_100000229897 [0,2,0,0,0,0|2,0,0]=4 5017 B11R0.151 CC(C)(C)C(=O)COCCCCl 34a_100000230001_100000229897 [0,2,0,0,0,0|2,0,0]=4 5018 B11R0.151 CC(C)(C)C(=O)COCCCF 34a_100000759539_100000229897 [0,2,0,0,0,0|2,0,0]=4 5019 B11R0.151 CC(C)(C)C(=O)COCCCF 34a_200011592769_100011934791 [0,2,0,0,0,0|2,0,0]=4 5020 B11R0.151 CC(C)(C)C(=O)COCCCF 7a_200011592769_100011934791 [0,2,0,0,0,0|2,0,0]=4 5021 B11R0.151 CC(C)(C)C(=O)COCCCN 34a_100000182051_100000229897 [0,2,0,0,0,0|2,0,0]=4 5022 B11R0.151 CC(C)(C)C(=O)COCCCO 34a_200011592769_100000230001 [0,2,0,0,0,0|2,0,0]=4 5023 B11R0.151 CC(C)(C)C(=O)COCCCO 7a_200011592769_100011215043 [0,2,0,0,0,0|2,0,0]=4 5024 B11R0.151 CC(C)(C)C(=O)NCCCCO 240690a_100000750430_106744555173 [0,2,0,0,0,0|2,0,0]=4 5025 B11R0.151 CC(C)(C)C(=O)NCCCCO 527a_100000750430_106744555173 [0,2,0,0,0,0|2,0,0]=4 5026 B11R0.151 CC(C)(C)C(=O)OCSCCF 62a_100000032063_100011217306 [0,2,0,0,0,0|2,0,0]=4 5027 B11R0.151 CC(C)(C)C(=O)OCSCCF 62a_100011217306_100000032063 [0,2,0,0,0,0|2,0,0]=4 5028 B11R0.151 CC(C)(C)C(=O)OCSCCO 62a_100000032063_100000211926 [0,2,0,0,0,0|2,0,0]=4 5029 B11R0.151 CC(C)(C)C(=O)OCSCCO 62a_100000211926_100000032063 [0,2,0,0,0,0|2,0,0]=4 5030 B11R0.151 CC(C)(F)C(=O)CCCCCF 1458a_100000765255_100000729378 [0,2,0,0,0,0|2,0,0]=4 5031 B11R0.151 CC(C)(F)C(=O)CCCCCO 1458a_100000765255_100000746330 [0,2,0,0,0,0|2,0,0]=4 5032 B11R0.151 CC(C)(F)C(=O)NCCCCO 240690a_100000750430_100000765255 [0,2,0,0,0,0|2,0,0]=4 5033 B11R0.151 CC(C)(F)C(=O)NCCCCO 527a_100000750430_100000765255 [0,2,0,0,0,0|2,0,0]=4 5034 B11R0.151 CC(C)(O)C(=O)CCCCC#N 1458a_100000242741_100000211819 [0,2,0,0,0,0|1,0,1]=4 5035 B11R0.151 CC(C)(O)C(=O)CCCCCF 1458a_100000242741_100000729378 [0,2,0,0,0,0|1,0,0]=3 5036 B11R0.151 CC(C)(O)C(=O)CCCCCO 1458a_100000242741_100000746330 [0,2,0,0,0,0|1,0,0]=3 5037 B11R0.151 CC(C)(O)C(=O)CCOCCO 1458a_100000242741_100011215305 [0,2,0,0,0,0|2,0,0]=4 5038 B11R0.151 CC(C)(O)C(=O)NCCCCO 240690a_100000750430_100000242741 [0,2,0,0,0,0|1,0,0]=3 5039 B11R0.151 CC(F)(F)C(=O)NCCCCO 240690a_100000750430_100000042251 [0,2,0,0,0,0|2,0,0]=4 5040 B11R0.151 CC(F)(F)C(=O)NCCCCO 527a_100000750430_100000042251 [0,2,0,0,0,0|2,0,0]=4 5041 B11R0.151 CC/C=C\CCC(=O)C(C)(C)O 1458a_100000242741_100015370543 [0,2,0,0,0,0|1,0,1]=4 5042 B11R0.151 CCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210757 [0,2,0,0,0,0|2,0,0]=4 5043 B11R0.151 CCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210757 [0,2,0,0,0,0|2,0,0]=4 5044 B11R0.151 CCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210757 [0,2,0,0,0,0|1,0,0]=3 5045 B11R0.151 CCCCCNC(=O)C(C)(C)C 11a_100000209983_106744555173 [0,2,0,0,0,0|2,0,0]=4 5046 B11R0.151 CCCCCNC(=O)C(C)(C)C 1626a_100000209983_106744555173 [0,2,0,0,0,0|2,0,0]=4 5047 B11R0.151 CCCCCNC(=O)C(C)(C)C 240690a_100000209983_106744555173 [0,2,0,0,0,0|2,0,0]=4 5048 B11R0.151 CCCCCNC(=O)C(C)(C)C 527a_100000209983_106744555173 [0,2,0,0,0,0|2,0,0]=4 5049 B11R0.151 CCCCCNC(=O)C(C)(C)F 11a_100000209983_100000765255 [0,2,0,0,0,0|2,0,0]=4 5050 B11R0.151 CCCCCNC(=O)C(C)(C)F 1626a_100000209983_100000765255 [0,2,0,0,0,0|2,0,0]=4 5051 B11R0.151 CCCCCNC(=O)C(C)(C)F 240690a_100000209983_100000765255 [0,2,0,0,0,0|2,0,0]=4 5052 B11R0.151 CCCCCNC(=O)C(C)(C)F 527a_100000209983_100000765255 [0,2,0,0,0,0|2,0,0]=4 5053 B11R0.151 CCCCCNC(=O)C(C)(C)O 240690a_100000209983_100000242741 [0,2,0,0,0,0|1,0,0]=3 5054 B11R0.151 CCCCCNC(=O)C(C)(F)F 11a_100000209983_100000042251 [0,2,0,0,0,0|2,0,0]=4 5055 B11R0.151 CCCCCNC(=O)C(C)(F)F 1626a_100000209983_100000042251 [0,2,0,0,0,0|2,0,0]=4 5056 B11R0.151 CCCCCNC(=O)C(C)(F)F 240690a_100000209983_100000042251 [0,2,0,0,0,0|2,0,0]=4 5057 B11R0.151 CCCCCNC(=O)C(C)(F)F 527a_100000209983_100000042251 [0,2,0,0,0,0|2,0,0]=4 5058 B11R0.151 CCCCNCC(=O)C(C)(C)C 7a_106832991798_100000210923 [0,2,0,0,0,0|2,0,0]=4 5059 B11R0.151 CCCCNN=C(C)C(C)(C)O 4a_100025702795_100000747739 [0,2,0,0,0,0|2,0,0]=4 5060 B11R0.151 CCCCNNC(=O)C(C)(C)C 22a_100025702795_106744555173 [0,2,0,0,0,0|2,0,0]=4 5061 B11R0.151 CCCCNNC(=O)C(C)(C)F 22a_100025702795_100000765255 [0,2,0,0,0,0|2,0,0]=4 5062 B11R0.151 CCCCNNC(=O)C(C)(C)O 22a_100025702795_100000242741 [0,2,0,0,0,0|1,0,0]=3 5063 B11R0.151 CCCCNNC(=O)C(C)(F)F 22a_100025702795_100000042251 [0,2,0,0,0,0|2,0,0]=4 5064 B11R0.151 CCCCOCC(=O)C(C)(C)C 1458a_106744555173_100011995733 [0,2,0,0,0,0|1,0,0]=3 5065 B11R0.151 CCCCOCC(=O)C(C)(C)C 34a_100000210227_100000229897 [0,2,0,0,0,0|1,0,0]=3 5066 B11R0.151 CCCCOCC(=O)C(C)(C)C 34a_200011592769_100000210210 [0,2,0,0,0,0|1,0,0]=3 5067 B11R0.151 CCCCOCC(=O)C(C)(C)C 7a_100000210227_100000210923 [0,2,0,0,0,0|1,0,0]=3 5068 B11R0.151 CCCCOCC(=O)C(C)(C)C 7a_200011592769_100000210211 [0,2,0,0,0,0|1,0,0]=3 5069 B11R0.151 CCCCOCC(=O)C(C)(C)F 1458a_100000765255_100011995733 [0,2,0,0,0,0|1,0,0]=3 5070 B11R0.151 CCCCOCC(=O)C(C)(C)O 1458a_100000242741_100011995733 [0,2,0,0,0,0|0,0,0]=2 5071 B11R0.151 CCCCOCC(=O)C(F)(F)F 1458a_100000757543_200000243211 [0,2,0,0,0,0|2,0,0]=4 5072 B11R0.151 CCCCOCC(=O)C(F)(F)F 1458a_100015355933_100011995733 [0,2,0,0,0,0|2,0,0]=4 5073 B11R0.151 CCCCOCC(=O)C(F)(F)F 34a_100000210227_100000002480 [0,2,0,0,0,0|2,0,0]=4 5074 B11R0.151 CCCCSCC(=O)C(C)(C)C 62a_100000210211_100000210923 [0,2,0,0,0,0|1,1,0]=4 5075 B11R0.151 CCCCSCC(=O)C(C)(C)C 62a_100000210923_100000210210 [0,2,0,0,0,0|1,1,0]=4 5076 B11R0.151 CCCOCCC(=O)C(C)(C)C 1458a_106744555173_100011215938 [0,2,0,0,0,0|2,0,0]=4 5077 B11R0.151 CCCOCCC(=O)C(C)(C)F 1458a_100000765255_100011215938 [0,2,0,0,0,0|2,0,0]=4 5078 B11R0.151 CCCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215938 [0,2,0,0,0,0|1,0,0]=3 5079 B11R0.151 CCCSCOC(=O)C(C)(C)C 62a_100000032063_100000210303 [0,2,0,0,0,0|1,0,0]=3 5080 B11R0.151 CCCSCOC(=O)C(C)(C)C 62a_100000210303_100000032063 [0,2,0,0,0,0|1,0,0]=3 5081 B11R0.151 CCOCCCC(=O)C(C)(C)C 1458a_106744555173_100012232248 [0,2,0,0,0,0|2,0,0]=4 5082 B11R0.151 CCOCCCC(=O)C(C)(C)F 1458a_100000765255_100012232248 [0,2,0,0,0,0|2,0,0]=4 5083 B11R0.151 CCOCCCC(=O)C(C)(C)O 1458a_100000242741_100012232248 [0,2,0,0,0,0|1,0,0]=3 5084 B11R0.151 CCOCCNC(=O)C(C)(C)C 11a_100011200944_106744555173 [0,2,0,0,0,0|2,0,0]=4 5085 B11R0.151 CCOCCNC(=O)C(C)(C)C 1626a_102516460346_106744555173 [0,2,0,0,0,0|2,0,0]=4 5086 B11R0.151 CCOCCNC(=O)C(C)(C)C 240690a_100011200944_106744555173 [0,2,0,0,0,0|2,0,0]=4 5087 B11R0.151 CCOCCNC(=O)C(C)(C)C 527a_100011200944_106744555173 [0,2,0,0,0,0|2,0,0]=4 5088 B11R0.151 CCOCCNC(=O)C(C)(C)F 11a_100011200944_100000765255 [0,2,0,0,0,0|2,0,0]=4 5089 B11R0.151 CCOCCNC(=O)C(C)(C)F 1626a_102516460346_100000765255 [0,2,0,0,0,0|2,0,0]=4 5090 B11R0.151 CCOCCNC(=O)C(C)(C)F 240690a_100011200944_100000765255 [0,2,0,0,0,0|2,0,0]=4 5091 B11R0.151 CCOCCNC(=O)C(C)(C)F 527a_100011200944_100000765255 [0,2,0,0,0,0|2,0,0]=4 5092 B11R0.151 CCOCCNC(=O)C(C)(C)O 240690a_100011200944_100000242741 [0,2,0,0,0,0|1,0,0]=3 5093 B11R0.151 CCOCCNC(=O)C(C)(F)F 11a_100011200944_100000042251 [0,2,0,0,0,0|2,0,0]=4 5094 B11R0.151 CCOCCNC(=O)C(C)(F)F 1626a_102516460346_100000042251 [0,2,0,0,0,0|2,0,0]=4 5095 B11R0.151 CCOCCNC(=O)C(C)(F)F 240690a_100011200944_100000042251 [0,2,0,0,0,0|2,0,0]=4 5096 B11R0.151 CCOCCNC(=O)C(C)(F)F 527a_100011200944_100000042251 [0,2,0,0,0,0|2,0,0]=4 5097 B11R0.151 CCOCCOC(=O)C(C)(C)Br 34a_100009817195_100000210202 [0,2,0,0,0,0|1,0,0]=3 5098 B11R0.151 CCOCCOC(=O)C(C)(C)Br 7a_100009817195_100000210202 [0,2,0,0,0,0|1,0,0]=3 5099 B11R0.151 CCOCCOC(=O)C(F)(F)F 34a_100121572206_200000066329 [0,2,0,0,0,0|2,0,0]=4 5100 B11R0.151 CCSCCNC(=O)C(C)(C)C 11a_100000106463_106744555173 [0,2,0,0,0,0|2,0,0]=4 5101 B11R0.151 CCSCCNC(=O)C(C)(C)C 1626a_100000106463_106744555173 [0,2,0,0,0,0|2,0,0]=4 5102 B11R0.151 CCSCCNC(=O)C(C)(C)C 240690a_100000106463_106744555173 [0,2,0,0,0,0|2,0,0]=4 5103 B11R0.151 CCSCCNC(=O)C(C)(C)C 527a_100000106463_106744555173 [0,2,0,0,0,0|2,0,0]=4 5104 B11R0.151 CCSCCNC(=O)C(C)(C)F 11a_100000106463_100000765255 [0,2,0,0,0,0|2,0,0]=4 5105 B11R0.151 CCSCCNC(=O)C(C)(C)F 1626a_100000106463_100000765255 [0,2,0,0,0,0|2,0,0]=4 5106 B11R0.151 CCSCCNC(=O)C(C)(C)F 240690a_100000106463_100000765255 [0,2,0,0,0,0|2,0,0]=4 5107 B11R0.151 CCSCCNC(=O)C(C)(C)F 527a_100000106463_100000765255 [0,2,0,0,0,0|2,0,0]=4 5108 B11R0.151 CCSCCNC(=O)C(C)(C)O 240690a_100000106463_100000242741 [0,2,0,0,0,0|1,0,0]=3 5109 B11R0.151 CCSCCNC(=O)C(C)(F)F 11a_100000106463_100000042251 [0,2,0,0,0,0|2,0,0]=4 5110 B11R0.151 CCSCCNC(=O)C(C)(F)F 1626a_100000106463_100000042251 [0,2,0,0,0,0|2,0,0]=4 5111 B11R0.151 CCSCCNC(=O)C(C)(F)F 240690a_100000106463_100000042251 [0,2,0,0,0,0|2,0,0]=4 5112 B11R0.151 CCSCCNC(=O)C(C)(F)F 527a_100000106463_100000042251 [0,2,0,0,0,0|2,0,0]=4 5113 B11R0.151 CCSCCOC(=O)C(F)(F)F 62a_100000210202_200000066329 [0,2,0,0,0,0|2,0,0]=4 5114 B11R0.151 CCSCCOC(=O)C(F)(F)F 62a_200000066329_100000210202 [0,2,0,0,0,0|2,0,0]=4 5115 B11R0.151 COCCCCC(=O)C(C)(C)C 1458a_106744555173_100000755781 [0,2,0,0,0,0|2,0,0]=4 5116 B11R0.151 COCCCCC(=O)C(C)(C)F 1458a_100000765255_100000755781 [0,2,0,0,0,0|2,0,0]=4 5117 B11R0.151 COCCCCC(=O)C(C)(C)O 1458a_100000242741_100000755781 [0,2,0,0,0,0|1,0,0]=3 5118 B11R0.151 COCCCNC(=O)C(C)(C)C 1626a_100150723488_106744555173 [0,2,0,0,0,0|2,0,0]=4 5119 B11R0.151 COCCCNC(=O)C(C)(C)C 240690a_100150723488_106744555173 [0,2,0,0,0,0|2,0,0]=4 5120 B11R0.151 COCCCNC(=O)C(C)(C)C 527a_100150723488_106744555173 [0,2,0,0,0,0|2,0,0]=4 5121 B11R0.151 COCCCNC(=O)C(C)(C)F 1626a_100150723488_100000765255 [0,2,0,0,0,0|2,0,0]=4 5122 B11R0.151 COCCCNC(=O)C(C)(C)F 240690a_100150723488_100000765255 [0,2,0,0,0,0|2,0,0]=4 5123 B11R0.151 COCCCNC(=O)C(C)(C)F 527a_100150723488_100000765255 [0,2,0,0,0,0|2,0,0]=4 5124 B11R0.151 COCCCNC(=O)C(C)(C)O 240690a_100150723488_100000242741 [0,2,0,0,0,0|1,0,0]=3 5125 B11R0.151 COCCCNC(=O)C(C)(F)F 1626a_100150723488_100000042251 [0,2,0,0,0,0|2,0,0]=4 5126 B11R0.151 COCCCNC(=O)C(C)(F)F 240690a_100150723488_100000042251 [0,2,0,0,0,0|2,0,0]=4 5127 B11R0.151 COCCCNC(=O)C(C)(F)F 527a_100150723488_100000042251 [0,2,0,0,0,0|2,0,0]=4 5128 B11R0.151 COCCNNC(=O)C(C)(C)O 22a_100000741390_100000242741 [0,2,0,0,0,0|2,0,0]=4 5129 B11R0.151 COCCOCC(=O)C(C)(C)C 34a_100000210237_100000229897 [0,2,0,0,0,0|2,0,0]=4 5130 B11R0.151 COCCOCC(=O)C(C)(C)C 34a_200011592769_100011201679 [0,2,0,0,0,0|2,0,0]=4 5131 B11R0.151 COCCOCC(=O)C(C)(C)C 7a_200011592769_100000233755 [0,2,0,0,0,0|2,0,0]=4 5132 B11R0.151 COCSCOC(=O)C(C)(C)C 62a_100000032063_100000766300 [0,2,0,0,0,0|2,0,0]=4 5133 B11R0.151 COCSCOC(=O)C(C)(C)C 62a_100000766300_100000032063 [0,2,0,0,0,0|2,0,0]=4 5134 B11R0.151 CSCCCNC(=O)C(C)(C)C 11a_100000749238_106744555173 [0,2,0,0,0,0|2,0,0]=4 5135 B11R0.151 CSCCCNC(=O)C(C)(C)C 1626a_100000749238_106744555173 [0,2,0,0,0,0|2,0,0]=4 5136 B11R0.151 CSCCCNC(=O)C(C)(C)C 240690a_100000749238_106744555173 [0,2,0,0,0,0|2,0,0]=4 5137 B11R0.151 CSCCCNC(=O)C(C)(C)C 527a_100000749238_106744555173 [0,2,0,0,0,0|2,0,0]=4 5138 B11R0.151 CSCCCNC(=O)C(C)(C)F 11a_100000749238_100000765255 [0,2,0,0,0,0|2,0,0]=4 5139 B11R0.151 CSCCCNC(=O)C(C)(C)F 1626a_100000749238_100000765255 [0,2,0,0,0,0|2,0,0]=4 5140 B11R0.151 CSCCCNC(=O)C(C)(C)F 240690a_100000749238_100000765255 [0,2,0,0,0,0|2,0,0]=4 5141 B11R0.151 CSCCCNC(=O)C(C)(C)F 527a_100000749238_100000765255 [0,2,0,0,0,0|2,0,0]=4 5142 B11R0.151 CSCCCNC(=O)C(C)(C)O 240690a_100000749238_100000242741 [0,2,0,0,0,0|1,0,0]=3 5143 B11R0.151 CSCCCNC(=O)C(C)(F)F 11a_100000749238_100000042251 [0,2,0,0,0,0|2,0,0]=4 5144 B11R0.151 CSCCCNC(=O)C(C)(F)F 1626a_100000749238_100000042251 [0,2,0,0,0,0|2,0,0]=4 5145 B11R0.151 CSCCCNC(=O)C(C)(F)F 240690a_100000749238_100000042251 [0,2,0,0,0,0|2,0,0]=4 5146 B11R0.151 CSCCCNC(=O)C(C)(F)F 527a_100000749238_100000042251 [0,2,0,0,0,0|2,0,0]=4 5147 B11R0.151 CSCCOCC(=O)C(C)(C)C 34a_100000230434_100000229897 [0,2,0,0,0,0|2,0,0]=4 5148 B11R0.151 CSCCOCC(=O)C(C)(C)C 34a_200011592769_100000212216 [0,2,0,0,0,0|2,0,0]=4 5149 B11R0.151 CSCCOCC(=O)C(C)(C)C 7a_100000230434_100000210923 [0,2,0,0,0,0|2,0,0]=4 5150 B11R0.151 CSCCOCC(=O)C(C)(C)C 7a_200011592769_100000212216 [0,2,0,0,0,0|2,0,0]=4 5151 B11R0.151 CSCSCOC(=O)C(C)(C)C 62a_100000032063_100011218213 [0,2,0,0,0,0|2,0,0]=4 5152 B11R0.151 CSCSCOC(=O)C(C)(C)C 62a_100011218213_100000032063 [0,2,0,0,0,0|2,0,0]=4 5153 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 11a_100000692259_100000210198 [0,2,0,0,0,0|2,0,0]=4 5154 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 1626a_100000692259_100000210198 [0,2,0,0,0,0|2,0,0]=4 5155 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 240690a_100000692259_100000210198 [0,2,0,0,0,0|2,0,0]=4 5156 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 527a_100000692259_100000210198 [0,2,0,0,0,0|2,0,0]=4 5157 B11R0.33 CC(C)CC(C)NC(=O)C(C)F 11a_100000692259_100000062450 [0,2,0,0,0,0|2,0,0]=4 5158 B11R0.33 CC(C)CC(C)NC(=O)C(C)F 1626a_100000692259_100000062450 [0,2,0,0,0,0|2,0,0]=4 5159 B11R0.33 CC(C)CC(C)NC(=O)C(C)F 240690a_100000692259_100000062450 [0,2,0,0,0,0|2,0,0]=4 5160 B11R0.33 CC(C)CC(C)NC(=O)C(C)F 527a_100000692259_100000062450 [0,2,0,0,0,0|2,0,0]=4 5161 B11R0.33 CC(C)CC(C)NC(=O)C(O)O 240690a_100000692259_100000233687 [0,2,0,0,0,0|2,0,0]=4 5162 B11R0.33 CC(C)CC(C)NC(=O)[C@@H](C)O 240690a_100000692259_100000717761 [0,2,0,0,0,0|1,0,0]=3 5163 B11R0.33 CC(C)CC(C)NC(=O)[C@H](C)O 1626a_100000692259_217856618621 [0,2,0,0,0,0|1,0,0]=3 5164 B11R0.33 CC(C)CC(C)NC(=O)[C@H](C)O 240690a_100000692259_217856618621 [0,2,0,0,0,0|1,0,0]=3 5165 B11R0.33 CC(CN(C)C)NC(=O)[C@@H](C)O 240690a_100016992788_100000717761 [0,2,0,0,0,0|2,0,0]=4 5166 B11R0.33 CC(CN(C)C)NC(=O)[C@H](C)O 240690a_100016992788_217856618621 [0,2,0,0,0,0|2,0,0]=4 5167 B11R0.37 CCC(COC)NC(=O)[C@@H](C)O 240690a_100000757820_100000717761 [0,2,0,0,0,0|2,0,0]=4 5168 B11R0.37 CCC(COC)NC(=O)[C@H](C)O 1626a_100000757820_217856618621 [0,2,0,0,0,0|2,0,0]=4 5169 B11R0.37 CCC(COC)NC(=O)[C@H](C)O 240690a_100000757820_217856618621 [0,2,0,0,0,0|2,0,0]=4 5170 B11R0.37 CCCC(CC)NC(=O)C(C)C 11a_100000747048_100000210198 [0,2,0,0,0,0|2,0,0]=4 5171 B11R0.37 CCCC(CC)NC(=O)C(C)C 1626a_100000747048_100000210198 [0,2,0,0,0,0|2,0,0]=4 5172 B11R0.37 CCCC(CC)NC(=O)C(C)C 240690a_100000747048_100000210198 [0,2,0,0,0,0|2,0,0]=4 5173 B11R0.37 CCCC(CC)NC(=O)C(C)C 527a_100000747048_100000210198 [0,2,0,0,0,0|2,0,0]=4 5174 B11R0.37 CCCC(CC)NC(=O)C(C)F 11a_100000747048_100000062450 [0,2,0,0,0,0|2,0,0]=4 5175 B11R0.37 CCCC(CC)NC(=O)C(C)F 1626a_100000747048_100000062450 [0,2,0,0,0,0|2,0,0]=4 5176 B11R0.37 CCCC(CC)NC(=O)C(C)F 240690a_100000747048_100000062450 [0,2,0,0,0,0|2,0,0]=4 5177 B11R0.37 CCCC(CC)NC(=O)C(C)F 527a_100000747048_100000062450 [0,2,0,0,0,0|2,0,0]=4 5178 B11R0.37 CCCC(CC)NC(=O)C(O)O 240690a_100000747048_100000233687 [0,2,0,0,0,0|2,0,0]=4 5179 B11R0.37 CCCC(CC)NC(=O)[C@@H](C)O 240690a_100000747048_100000717761 [0,2,0,0,0,0|1,0,0]=3 5180 B11R0.37 CCCC(CC)NC(=O)[C@H](C)O 1626a_100000747048_217856618621 [0,2,0,0,0,0|1,0,0]=3 5181 B11R0.37 CCCC(CC)NC(=O)[C@H](C)O 240690a_100000747048_217856618621 [0,2,0,0,0,0|1,0,0]=3 5182 B11R0.37 CCC[C@@H](CO)NC(=O)C(C)C 240690a_100000732646_100000210198 [0,2,0,0,0,0|2,0,0]=4 5183 B11R0.37 CCC[C@@H](CO)NC(=O)C(C)C 527a_100000732646_100000210198 [0,2,0,0,0,0|2,0,0]=4 5184 B11R0.37 CCC[C@@H](CO)NC(=O)C(C)F 240690a_100000732646_100000062450 [0,2,0,0,0,0|2,0,0]=4 5185 B11R0.37 CCC[C@@H](CO)NC(=O)C(C)F 527a_100000732646_100000062450 [0,2,0,0,0,0|2,0,0]=4 5186 B11R0.37 CCC[C@@H](CO)NC(=O)C(O)O 240690a_100000732646_100000233687 [0,2,0,0,0,0|2,0,0]=4 5187 B11R0.37 CCC[C@@H](CO)NC(=O)[C@@H](C)O 240690a_100000732646_100000717761 [0,2,0,0,0,0|1,0,0]=3 5188 B11R0.37 CCC[C@@H](CO)NC(=O)[C@H](C)O 240690a_100000732646_217856618621 [0,2,0,0,0,0|1,0,0]=3 5189 B11R0.37 COCC(CO)NC(=O)[C@@H](C)O 240690a_100000724102_100000717761 [0,2,0,0,0,0|2,0,0]=4 5190 B11R0.37 COCC(CO)NC(=O)[C@H](C)O 240690a_100000724102_217856618621 [0,2,0,0,0,0|2,0,0]=4 5191 B11R0.58 CC(CCO)N(C)C(=O)[C@@H](C)O 240690a_100000731037_100000717761 [0,2,0,0,0,0|2,0,0]=4 5192 B11R0.58 CC(CCO)N(C)C(=O)[C@H](C)O 240690a_100000731037_217856618621 [0,2,0,0,0,0|2,0,0]=4 5193 B11R0.163 CCCCC(=O)CC(=O)C(C)C 1458a_100000210183_100000753385 [0,2,0,0,0,0|2,0,0]=4 5194 B11R0.163 CCCCC(C)NC(=O)C(C)C 11a_100000126638_100000210198 [0,2,0,0,0,0|2,0,0]=4 5195 B11R0.163 CCCCC(C)NC(=O)C(C)C 1626a_100000126638_100000210198 [0,2,0,0,0,0|2,0,0]=4 5196 B11R0.163 CCCCC(C)NC(=O)C(C)C 240690a_100000126638_100000210198 [0,2,0,0,0,0|2,0,0]=4 5197 B11R0.163 CCCCC(C)NC(=O)C(C)C 527a_100000126638_100000210198 [0,2,0,0,0,0|2,0,0]=4 5198 B11R0.163 CCCCC(C)NC(=O)C(C)F 11a_100000126638_100000062450 [0,2,0,0,0,0|2,0,0]=4 5199 B11R0.163 CCCCC(C)NC(=O)C(C)F 1626a_100000126638_100000062450 [0,2,0,0,0,0|2,0,0]=4 5200 B11R0.163 CCCCC(C)NC(=O)C(C)F 240690a_100000126638_100000062450 [0,2,0,0,0,0|2,0,0]=4 5201 B11R0.163 CCCCC(C)NC(=O)C(C)F 527a_100000126638_100000062450 [0,2,0,0,0,0|2,0,0]=4 5202 B11R0.163 CCCCC(C)NC(=O)C(O)O 240690a_100000126638_100000233687 [0,2,0,0,0,0|2,0,0]=4 5203 B11R0.163 CCCCC(C)NC(=O)[C@@H](C)O 240690a_100000126638_100000717761 [0,2,0,0,0,0|1,0,0]=3 5204 B11R0.163 CCCCC(C)NC(=O)[C@H](C)O 1626a_100000126638_217856618621 [0,2,0,0,0,0|1,0,0]=3 5205 B11R0.163 CCCCC(C)NC(=O)[C@H](C)O 240690a_100000126638_217856618621 [0,2,0,0,0,0|1,0,0]=3 5206 B11R0.163 CCCCN(C)CC(=O)C(C)C 2230a_100000207549_100000753385 [0,2,0,0,0,0|2,0,0]=4 5207 B11R0.163 CCCCN(C)CC(=O)C(C)C 269982a_100000207549_100000753385 [0,2,0,0,0,0|2,0,0]=4 5208 B11R0.163 CCCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183358 [0,2,0,0,0,0|1,0,1]=4 5209 B11R0.163 CCCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183358 [0,2,0,0,0,0|1,0,1]=4 5210 B11R0.163 CCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200011215008 [0,2,0,0,0,0|1,0,1]=4 5211 B11R0.163 CCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200011215008 [0,2,0,0,0,0|1,0,1]=4 5212 B11R0.184 CCCC(C)(O)CC(=O)C(C)C 1458a_100011667670_100000210206 [0,2,0,0,0,0|2,0,0]=4 5213 B11R0.184 CCCS(=O)(=O)NC(=O)[C@@H](C)O 2740a_100000171175_100000717761 [0,2,0,0,0,0|2,0,0]=4 5214 B11R0.184 CCCS(=O)(=O)NC(=O)[C@H](C)O 2740a_100000171175_217856618621 [0,2,0,0,0,0|2,0,0]=4 5215 B11R0.184 COCC(C)(C)NC(=O)[C@@H](C)O 240690a_100000752728_100000717761 [0,2,0,0,0,0|2,0,0]=4 5216 B11R0.184 COCC(C)(C)NC(=O)[C@H](C)O 1626a_100000752728_217856618621 [0,2,0,0,0,0|2,0,0]=4 5217 B11R0.184 COCC(C)(C)NC(=O)[C@H](C)O 240690a_100000752728_217856618621 [0,2,0,0,0,0|2,0,0]=4 5218 B11R0.184 CSCC(C)(C)NC(=O)[C@@H](C)O 240690a_100000759623_100000717761 [0,2,0,0,0,0|2,0,0]=4 5219 B11R0.184 CSCC(C)(C)NC(=O)[C@H](C)O 1626a_100000759623_217856618621 [0,2,0,0,0,0|2,0,0]=4 5220 B11R0.184 CSCC(C)(C)NC(=O)[C@H](C)O 240690a_100000759623_217856618621 [0,2,0,0,0,0|2,0,0]=4 5221 B11R0.184 C[C@@H](O)C(=O)NC(C)(C)CCO 240690a_100000763138_100000717761 [0,2,0,0,0,0|2,0,0]=4 5222 B11R0.184 C[C@H](O)C(=O)NC(C)(C)CCO 240690a_100000763138_217856618621 [0,2,0,0,0,0|2,0,0]=4 5223 B11R0.187 C#CC(C)C(=O)CC(C)CCC 1458a_100000748435_200000035995 [0,2,0,0,0,0|2,0,0]=4 5224 B11R0.187 C=CC(C)C(=O)CC(C)CCC 1458a_100011216780_100011216630 [0,2,0,0,0,0|2,0,0]=4 5225 B11R0.187 C=CC(C)C(=O)NC(C)CCC 11a_100000741246_100011216780 [0,2,0,0,0,0|2,0,0]=4 5226 B11R0.187 C=CC(C)C(=O)NC(C)CCC 1626a_100000741246_100011216780 [0,2,0,0,0,0|2,0,0]=4 5227 B11R0.187 C=CC(C)C(=O)NC(C)CCC 240690a_100000741246_100011216780 [0,2,0,0,0,0|2,0,0]=4 5228 B11R0.187 C=CC(C)C(=O)NC(C)CCC 527a_100000741246_100011216780 [0,2,0,0,0,0|2,0,0]=4 5229 B11R0.187 CCC(O)C(=O)N[C@H](C)CCO 240690a_100000706166_100011196387 [0,2,0,0,0,0|2,0,0]=4 5230 B11R0.187 CCC(O)C(=O)N[C@H](C)COC 240690a_100000764878_100011196387 [0,2,0,0,0,0|2,0,0]=4 5231 B11R0.187 CCCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747444 [0,2,0,0,0,0|1,0,1]=4 5232 B11R0.187 CCCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747444 [0,2,0,0,0,0|1,0,1]=4 5233 B11R0.187 CCCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747444 [0,2,0,0,0,0|1,0,1]=4 5234 B11R0.187 CCCC(C)CC(=O)C(C)C#N 1458a_100000748435_100000703298 [0,2,0,0,0,0|2,0,0]=4 5235 B11R0.187 CCCC(C)CC(=O)C(C)C#N 1458a_100000753662_100011216630 [0,2,0,0,0,0|2,0,0]=4 5236 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100000748435_100000758301 [0,2,0,0,0,0|2,0,0]=4 5237 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100011192722_100011216630 [0,2,0,0,0,0|2,0,0]=4 5238 B11R0.187 CCCC(C)CC(=O)C(C)OC 1458a_100000743197_100011216630 [0,2,0,0,0,0|1,0,0]=3 5239 B11R0.187 CCCC(C)CC(=O)C(C)SC 1458a_100000149566_100011216630 [0,2,0,0,0,0|1,1,0]=4 5240 B11R0.187 CCCC(C)CC(=O)C(O)CC 1458a_100011196387_100011216630 [0,2,0,0,0,0|1,0,0]=3 5241 B11R0.187 CCCC(C)CC(=O)C(O)CO 1458a_100011215603_100011216630 [0,2,0,0,0,0|1,0,0]=3 5242 B11R0.187 CCCC(C)NC(=O)C(C)C#N 11a_100000741246_100000753662 [0,2,0,0,0,0|2,0,0]=4 5243 B11R0.187 CCCC(C)NC(=O)C(C)C#N 1626a_100000741246_100000753662 [0,2,0,0,0,0|2,0,0]=4 5244 B11R0.187 CCCC(C)NC(=O)C(C)C#N 240690a_100000741246_100000753662 [0,2,0,0,0,0|2,0,0]=4 5245 B11R0.187 CCCC(C)NC(=O)C(C)C#N 527a_100000741246_100000753662 [0,2,0,0,0,0|2,0,0]=4 5246 B11R0.187 CCCC(C)NC(=O)C(C)CC 11a_100000741246_100011192722 [0,2,0,0,0,0|2,0,0]=4 5247 B11R0.187 CCCC(C)NC(=O)C(C)CC 1626a_100000741246_100011192722 [0,2,0,0,0,0|2,0,0]=4 5248 B11R0.187 CCCC(C)NC(=O)C(C)CC 240690a_100000741246_100011192722 [0,2,0,0,0,0|2,0,0]=4 5249 B11R0.187 CCCC(C)NC(=O)C(C)CC 527a_100000741246_100011192722 [0,2,0,0,0,0|2,0,0]=4 5250 B11R0.187 CCCC(C)NC(=O)C(C)NC 2230a_106832991635_100000735934 [0,2,0,0,0,0|2,0,0]=4 5251 B11R0.187 CCCC(C)NC(=O)C(C)NC 34a_100102657272_100000735934 [0,2,0,0,0,0|2,0,0]=4 5252 B11R0.187 CCCC(C)NC(=O)C(C)NC 7a_106832991635_100000735934 [0,2,0,0,0,0|2,0,0]=4 5253 B11R0.187 CCCC(C)NC(=O)C(C)OC 11a_100000741246_100000743197 [0,2,0,0,0,0|1,0,0]=3 5254 B11R0.187 CCCC(C)NC(=O)C(C)OC 1626a_100000741246_100000743197 [0,2,0,0,0,0|1,0,0]=3 5255 B11R0.187 CCCC(C)NC(=O)C(C)OC 240690a_100000741246_100000743197 [0,2,0,0,0,0|1,0,0]=3 5256 B11R0.187 CCCC(C)NC(=O)C(C)OC 34a_100138415774_100000735934 [0,2,0,0,0,0|1,0,0]=3 5257 B11R0.187 CCCC(C)NC(=O)C(C)OC 527a_100000741246_100000743197 [0,2,0,0,0,0|1,0,0]=3 5258 B11R0.187 CCCC(C)NC(=O)C(C)SC 11a_100000741246_100000149566 [0,2,0,0,0,0|1,1,0]=4 5259 B11R0.187 CCCC(C)NC(=O)C(C)SC 1626a_100000741246_100000149566 [0,2,0,0,0,0|1,1,0]=4 5260 B11R0.187 CCCC(C)NC(=O)C(C)SC 240690a_100000741246_100000149566 [0,2,0,0,0,0|1,1,0]=4 5261 B11R0.187 CCCC(C)NC(=O)C(C)SC 527a_100000741246_100000149566 [0,2,0,0,0,0|1,1,0]=4 5262 B11R0.187 CCCC(C)NC(=O)C(C)SC 62a_100000735934_200000210301 [0,2,0,0,0,0|1,1,0]=4 5263 B11R0.187 CCCC(C)NC(=O)C(C)SC 62a_200000210301_100000735934 [0,2,0,0,0,0|1,1,0]=4 5264 B11R0.187 CCCC(C)NC(=O)C(C)S[13CH3] 62a_100000735934_200025704644 [0,2,0,0,0,0|1,1,0]=4 5265 B11R0.187 CCCC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000735934 [0,2,0,0,0,0|1,1,0]=4 5266 B11R0.187 CCCC(C)NC(=O)C(O)CC 240690a_100000741246_100011196387 [0,2,0,0,0,0|1,0,0]=3 5267 B11R0.187 CCCC(C)NC(=O)C(O)CO 240690a_100000741246_100011215603 [0,2,0,0,0,0|1,0,0]=3 5268 B11R0.187 COC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000743197 [0,2,0,0,0,0|2,0,0]=4 5269 B11R0.187 COC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000743197 [0,2,0,0,0,0|2,0,0]=4 5270 B11R0.187 COC[C@@H](C)NC(=O)C(C)OC 11a_100000764878_100000743197 [0,2,0,0,0,0|2,0,0]=4 5271 B11R0.187 COC[C@@H](C)NC(=O)C(C)OC 1626a_100000764878_100000743197 [0,2,0,0,0,0|2,0,0]=4 5272 B11R0.187 COC[C@@H](C)NC(=O)C(C)OC 240690a_100000764878_100000743197 [0,2,0,0,0,0|2,0,0]=4 5273 B11R0.187 COC[C@@H](C)NC(=O)C(C)OC 527a_100000764878_100000743197 [0,2,0,0,0,0|2,0,0]=4 5274 B11R0.187 COC[C@@H](C)NC(=O)C(O)CO 240690a_100000764878_100011215603 [0,2,0,0,0,0|2,0,0]=4 5275 B11R0.187 C[C@H](CCO)NC(=O)C(O)CO 240690a_100000706166_100011215603 [0,2,0,0,0,0|2,0,0]=4 5276 B11R0.29 C=C(C)C(=O)OCCNC(C)C 2230a_100138425928_100009816335 [0,2,0,0,0,0|1,0,1]=4 5277 B11R0.29 C=C(C)C(=O)OCCNC(C)C 34a_100138425928_100009816335 [0,2,0,0,0,0|1,0,1]=4 5278 B11R0.29 C=C(C)C(=O)OCCOC(C)C 34a_100000212225_100009816335 [0,2,0,0,0,0|1,0,1]=4 5279 B11R0.29 C=C(C)C(=O)OCCSC(C)C 62a_100000210206_100009816335 [0,2,0,0,0,0|1,0,1]=4 5280 B11R0.29 C=C(C)C(=O)OCCSC(C)C 62a_100009816335_100000210206 [0,2,0,0,0,0|1,0,1]=4 5281 B11R0.29 C=C(C)CCOCC(=O)C(C)C 34a_100000764851_100000753385 [0,2,0,0,0,0|1,0,1]=4 5282 B11R0.29 C=C(C)CSCOC(=O)C(C)C 62a_100000139345_100000211660 [0,2,0,0,0,0|1,0,1]=4 5283 B11R0.29 C=C(C)CSCOC(=O)C(C)C 62a_100000748629_100000139345 [0,2,0,0,0,0|1,0,1]=4 5284 B11R0.29 CC(=O)C(=O)COCCC(C)Br 34a_100009893172_100011261029 [0,2,0,0,0,0|0,0,2]=4 5285 B11R0.29 CC(=O)C(=O)COCCC(C)C 34a_100000210254_100011261029 [0,2,0,0,0,0|0,0,2]=4 5286 B11R0.29 CC(=O)C(=O)COCC[C@@H](C)N 34a_100000706166_100011261029 [0,2,0,0,0,0|0,0,2]=4 5287 B11R0.29 CC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000735457 [0,2,0,0,0,0|2,0,0]=4 5288 B11R0.29 CC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000735457 [0,2,0,0,0,0|2,0,0]=4 5289 B11R0.29 CC(=O)CCCCC(=O)C(O)O 1458a_100000233687_100000735457 [0,2,0,0,0,0|2,0,0]=4 5290 B11R0.29 CC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000735457 [0,2,0,0,0,0|1,0,0]=3 5291 B11R0.29 CC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000735457 [0,2,0,0,0,0|1,0,0]=3 5292 B11R0.29 CC(=O)CCOCC(=O)C(C)C 34a_100000759926_100000753385 [0,2,0,0,0,0|1,0,1]=4 5293 B11R0.29 CC(=O)CCOCC(=O)C(C)C 7a_100000759926_100000753385 [0,2,0,0,0,0|1,0,1]=4 5294 B11R0.29 CC(=O)NCCNC(=O)[C@@H](C)O 240690a_100000209853_100000717761 [0,2,0,0,0,0|1,0,1]=4 5295 B11R0.29 CC(=O)NCCNC(=O)[C@H](C)O 240690a_100000209853_217856618621 [0,2,0,0,0,0|1,0,1]=4 5296 B11R0.29 CC(=O)OCCCC(=O)[C@@H](C)O 1458a_100000717761_100000042594 [0,2,0,0,0,0|1,0,1]=4 5297 B11R0.29 CC(=O)OCCCC(=O)[C@H](C)O 1458a_217856618621_100000042594 [0,2,0,0,0,0|1,0,1]=4 5298 B11R0.29 CC(=O)OCCNC(=O)[C@@H](C)O 240690a_100000724843_100000717761 [0,2,0,0,0,0|1,0,1]=4 5299 B11R0.29 CC(=O)OCCNC(=O)[C@H](C)O 240690a_100000724843_217856618621 [0,2,0,0,0,0|1,0,1]=4 5300 B11R0.29 CC(=O)SCCCC(=O)[C@@H](C)O 1458a_100000717761_100000038929 [0,2,0,0,0,0|1,0,1]=4 5301 B11R0.29 CC(=O)SCCCC(=O)[C@H](C)O 1458a_217856618621_100000038929 [0,2,0,0,0,0|1,0,1]=4 5302 B11R0.29 CC(=O)SCCNC(=O)[C@@H](C)O 240690a_100020647217_100000717761 [0,2,0,0,0,0|1,0,1]=4 5303 B11R0.29 CC(=O)SCCNC(=O)[C@H](C)O 240690a_100020647217_217856618621 [0,2,0,0,0,0|1,0,1]=4 5304 B11R0.29 CC(=S)OCCCC(=O)[C@@H](C)O 1458a_100000717761_200135323944 [0,2,0,0,0,0|1,0,1]=4 5305 B11R0.29 CC(=S)OCCCC(=O)[C@H](C)O 1458a_217856618621_200135323944 [0,2,0,0,0,0|1,0,1]=4 5306 B11R0.29 CC(Br)CCOCC(=O)C(C)C 34a_100009893172_100000753385 [0,2,0,0,0,0|1,0,0]=3 5307 B11R0.29 CC(Br)CCOCC(=O)N(C)C 34a_100009893172_100000692301 [0,2,0,0,0,0|2,0,0]=4 5308 B11R0.29 CC(C)C(=O)COCCC(F)F 34a_100103093639_100000753385 [0,2,0,0,0,0|2,0,0]=4 5309 B11R0.29 CC(C)C(=O)COCC[C@@H](C)N 34a_100000706166_100000753385 [0,2,0,0,0,0|1,0,0]=3 5310 B11R0.29 CC(C)C(=O)NCCCN(C)C 240690a_102531767803_100000210198 [0,2,0,0,0,0|2,0,0]=4 5311 B11R0.29 CC(C)C(=O)NCCCN(C)C 527a_102531767803_100000210198 [0,2,0,0,0,0|2,0,0]=4 5312 B11R0.29 CC(C)C(=O)NCCCS(=O)C 11a_200000753449_100000210198 [0,2,0,0,0,0|2,0,0]=4 5313 B11R0.29 CC(C)C(=O)NCCCS(=O)C 240690a_200000753449_100000210198 [0,2,0,0,0,0|2,0,0]=4 5314 B11R0.29 CC(C)C(=O)NCCCS(=O)C 527a_200000753449_100000210198 [0,2,0,0,0,0|2,0,0]=4 5315 B11R0.29 CC(C)C(=O)OCSCC(F)F 62a_100000139345_100011934356 [0,2,0,0,0,0|2,0,0]=4 5316 B11R0.29 CC(C)C(=O)OCSCC(F)F 62a_100011934356_100000139345 [0,2,0,0,0,0|2,0,0]=4 5317 B11R0.29 CC(C)C(=O)OCSC[C@@H](C)O 62a_100000139345_100009817552 [0,2,0,0,0,0|1,0,0]=3 5318 B11R0.29 CC(C)C(=O)OCSC[C@@H](C)O 62a_100009817552_100000139345 [0,2,0,0,0,0|1,0,0]=3 5319 B11R0.29 CC(C)CCCCC(=O)C(C)C 1458a_100000210198_100011216152 [0,2,0,0,0,0|2,0,0]=4 5320 B11R0.29 CC(C)CCCCC(=O)C(C)C 1458a_100011933920_100000210206 [0,2,0,0,0,0|2,0,0]=4 5321 B11R0.29 CC(C)CCCCC(=O)C(C)F 1458a_100000062450_100011216152 [0,2,0,0,0,0|2,0,0]=4 5322 B11R0.29 CC(C)CCCCC(=O)C(O)O 1458a_100000233687_100011216152 [0,2,0,0,0,0|2,0,0]=4 5323 B11R0.29 CC(C)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216152 [0,2,0,0,0,0|1,0,0]=3 5324 B11R0.29 CC(C)CCCCC(=O)[C@H](C)O 1458a_217856618621_100011216152 [0,2,0,0,0,0|1,0,0]=3 5325 B11R0.29 CC(C)CCCNC(=O)C(C)C 11a_200000737386_100000210198 [0,2,0,0,0,0|2,0,0]=4 5326 B11R0.29 CC(C)CCCNC(=O)C(C)C 1626a_200000737386_100000210198 [0,2,0,0,0,0|2,0,0]=4 5327 B11R0.29 CC(C)CCCNC(=O)C(C)C 240690a_200000737386_100000210198 [0,2,0,0,0,0|2,0,0]=4 5328 B11R0.29 CC(C)CCCNC(=O)C(C)C 527a_200000737386_100000210198 [0,2,0,0,0,0|2,0,0]=4 5329 B11R0.29 CC(C)CCCNC(=O)C(C)F 11a_200000737386_100000062450 [0,2,0,0,0,0|2,0,0]=4 5330 B11R0.29 CC(C)CCCNC(=O)C(C)F 1626a_200000737386_100000062450 [0,2,0,0,0,0|2,0,0]=4 5331 B11R0.29 CC(C)CCCNC(=O)C(C)F 240690a_200000737386_100000062450 [0,2,0,0,0,0|2,0,0]=4 5332 B11R0.29 CC(C)CCCNC(=O)C(C)F 527a_200000737386_100000062450 [0,2,0,0,0,0|2,0,0]=4 5333 B11R0.29 CC(C)CCCNC(=O)C(O)O 240690a_200000737386_100000233687 [0,2,0,0,0,0|2,0,0]=4 5334 B11R0.29 CC(C)CCCNC(=O)[C@@H](C)O 240690a_200000737386_100000717761 [0,2,0,0,0,0|1,0,0]=3 5335 B11R0.29 CC(C)CCCNC(=O)[C@H](C)O 1626a_200000737386_217856618621 [0,2,0,0,0,0|1,0,0]=3 5336 B11R0.29 CC(C)CCCNC(=O)[C@H](C)O 240690a_200000737386_217856618621 [0,2,0,0,0,0|1,0,0]=3 5337 B11R0.29 CC(C)CCOCC(=O)C(C)C 34a_100000210254_100000753385 [0,2,0,0,0,0|1,0,0]=3 5338 B11R0.29 CC(C)CCOCC(=O)C(C)C 7a_100000210254_100000753385 [0,2,0,0,0,0|1,0,0]=3 5339 B11R0.29 CC(C)CCOCC(=O)N(C)C 34a_100000210254_100000692301 [0,2,0,0,0,0|2,0,0]=4 5340 B11R0.29 CC(C)CCOCC(=O)N(C)C 7a_100000210254_100000692301 [0,2,0,0,0,0|2,0,0]=4 5341 B11R0.29 CC(C)CCSCC(=O)C(C)C 62a_100000210312_100000753385 [0,2,0,0,0,0|1,1,0]=4 5342 B11R0.29 CC(C)CCSCC(=O)C(C)C 62a_100000753385_100000210312 [0,2,0,0,0,0|1,1,0]=4 5343 B11R0.29 CC(C)CSCOC(=O)C(C)C 62a_100000139345_100000210760 [0,2,0,0,0,0|1,0,0]=3 5344 B11R0.29 CC(C)CSCOC(=O)C(C)C 62a_100000210624_100000139345 [0,2,0,0,0,0|1,0,0]=3 5345 B11R0.29 CC(C)NCCNC(=O)C(C)C 2230a_100000752568_100000210206 [0,2,0,0,0,0|2,0,0]=4 5346 B11R0.29 CC(C)NCCNC(=O)C(C)C 34a_100000752568_100000210206 [0,2,0,0,0,0|2,0,0]=4 5347 B11R0.29 CC(C)OCCNC(=O)C(C)C 11a_100000701111_100000210198 [0,2,0,0,0,0|2,0,0]=4 5348 B11R0.29 CC(C)OCCNC(=O)C(C)C 1626a_100000701111_100000210198 [0,2,0,0,0,0|2,0,0]=4 5349 B11R0.29 CC(C)OCCNC(=O)C(C)C 240690a_100000701111_100000210198 [0,2,0,0,0,0|2,0,0]=4 5350 B11R0.29 CC(C)OCCNC(=O)C(C)C 527a_100000701111_100000210198 [0,2,0,0,0,0|2,0,0]=4 5351 B11R0.29 CC(C)OCCNC(=O)C(C)F 11a_100000701111_100000062450 [0,2,0,0,0,0|2,0,0]=4 5352 B11R0.29 CC(C)OCCNC(=O)C(C)F 1626a_100000701111_100000062450 [0,2,0,0,0,0|2,0,0]=4 5353 B11R0.29 CC(C)OCCNC(=O)C(C)F 240690a_100000701111_100000062450 [0,2,0,0,0,0|2,0,0]=4 5354 B11R0.29 CC(C)OCCNC(=O)C(C)F 527a_100000701111_100000062450 [0,2,0,0,0,0|2,0,0]=4 5355 B11R0.29 CC(C)OCCNC(=O)C(O)O 240690a_100000701111_100000233687 [0,2,0,0,0,0|2,0,0]=4 5356 B11R0.29 CC(C)OCCNC(=O)[C@@H](C)O 240690a_100000701111_100000717761 [0,2,0,0,0,0|1,0,0]=3 5357 B11R0.29 CC(C)OCCNC(=O)[C@H](C)O 1626a_100000701111_217856618621 [0,2,0,0,0,0|1,0,0]=3 5358 B11R0.29 CC(C)OCCNC(=O)[C@H](C)O 240690a_100000701111_217856618621 [0,2,0,0,0,0|1,0,0]=3 5359 B11R0.29 CC(C)SCCNC(=O)C(C)C 11a_100000731138_100000210198 [0,2,0,0,0,0|2,0,0]=4 5360 B11R0.29 CC(C)SCCNC(=O)C(C)C 1626a_100000731138_100000210198 [0,2,0,0,0,0|2,0,0]=4 5361 B11R0.29 CC(C)SCCNC(=O)C(C)C 240690a_100000731138_100000210198 [0,2,0,0,0,0|2,0,0]=4 5362 B11R0.29 CC(C)SCCNC(=O)C(C)C 527a_100000731138_100000210198 [0,2,0,0,0,0|2,0,0]=4 5363 B11R0.29 CC(C)SCCNC(=O)C(C)F 11a_100000731138_100000062450 [0,2,0,0,0,0|2,0,0]=4 5364 B11R0.29 CC(C)SCCNC(=O)C(C)F 1626a_100000731138_100000062450 [0,2,0,0,0,0|2,0,0]=4 5365 B11R0.29 CC(C)SCCNC(=O)C(C)F 240690a_100000731138_100000062450 [0,2,0,0,0,0|2,0,0]=4 5366 B11R0.29 CC(C)SCCNC(=O)C(C)F 527a_100000731138_100000062450 [0,2,0,0,0,0|2,0,0]=4 5367 B11R0.29 CC(C)SCCNC(=O)C(O)O 240690a_100000731138_100000233687 [0,2,0,0,0,0|2,0,0]=4 5368 B11R0.29 CC(C)SCCNC(=O)[C@@H](C)O 240690a_100000731138_100000717761 [0,2,0,0,0,0|1,0,0]=3 5369 B11R0.29 CC(C)SCCNC(=O)[C@H](C)O 1626a_100000731138_217856618621 [0,2,0,0,0,0|1,0,0]=3 5370 B11R0.29 CC(C)SCCNC(=O)[C@H](C)O 240690a_100000731138_217856618621 [0,2,0,0,0,0|1,0,0]=3 5371 B11R0.29 CC(F)C(=O)NCCCN(C)C 240690a_102531767803_100000062450 [0,2,0,0,0,0|2,0,0]=4 5372 B11R0.29 CC(F)C(=O)NCCCN(C)C 527a_102531767803_100000062450 [0,2,0,0,0,0|2,0,0]=4 5373 B11R0.29 CC(F)C(=O)NCCCS(=O)C 11a_200000753449_100000062450 [0,2,0,0,0,0|2,0,0]=4 5374 B11R0.29 CC(F)C(=O)NCCCS(=O)C 240690a_200000753449_100000062450 [0,2,0,0,0,0|2,0,0]=4 5375 B11R0.29 CC(F)C(=O)NCCCS(=O)C 527a_200000753449_100000062450 [0,2,0,0,0,0|2,0,0]=4 5376 B11R0.29 CC(O)CCNCC(=O)C(C)C 2230a_200000755665_100000753385 [0,2,0,0,0,0|2,0,0]=4 5377 B11R0.29 CC(O)CCSCC(=O)C(C)C 62a_100000753385_100012276601 [0,2,0,0,0,0|1,1,0]=4 5378 B11R0.29 CC(O)CCSCC(=O)C(C)C 62a_100012276601_100000753385 [0,2,0,0,0,0|1,1,0]=4 5379 B11R0.29 CC(O)CSCOC(=O)C(C)C 62a_100000139345_100011218427 [0,2,0,0,0,0|1,0,0]=3 5380 B11R0.29 CC(O)CSCOC(=O)C(C)C 62a_100011218427_100000139345 [0,2,0,0,0,0|1,0,0]=3 5381 B11R0.29 CN(C)CCCNC(=O)C(O)O 240690a_102531767803_100000233687 [0,2,0,0,0,0|2,0,0]=4 5382 B11R0.29 CS(=O)CCCNC(=O)C(O)O 240690a_200000753449_100000233687 [0,2,0,0,0,0|2,0,0]=4 5383 B11R0.29 C[C@@H](N)CCOCC(=O)N(C)C 34a_100000706166_100000692301 [0,2,0,0,0,0|2,0,0]=4 5384 B11R0.29 C[C@@H](O)C(=O)CCCCB(O)O 1458a_100000717761_200009817182 [0,2,0,0,0,0|2,0,0]=4 5385 B11R0.29 C[C@@H](O)C(=O)CCOCC(F)F 1458a_100000717761_200012177212 [0,2,0,0,0,0|2,0,0]=4 5386 B11R0.29 C[C@@H](O)C(=O)NCCCC(=O)N 240690a_100000739312_100000717761 [0,2,0,0,0,0|1,0,1]=4 5387 B11R0.29 C[C@@H](O)C(=O)NCCCN(C)C 240690a_102531767803_100000717761 [0,2,0,0,0,0|1,0,0]=3 5388 B11R0.29 C[C@@H](O)C(=O)NCCCS(=O)C 240690a_200000753449_100000717761 [0,2,0,0,0,0|1,0,0]=3 5389 B11R0.29 C[C@@H](O)C(=O)NNCCN(C)C 22a_100000738145_100000717761 [0,2,0,0,0,0|2,0,0]=4 5390 B11R0.29 C[C@H](O)C(=O)CCCCB(O)O 1458a_217856618621_200009817182 [0,2,0,0,0,0|2,0,0]=4 5391 B11R0.29 C[C@H](O)C(=O)CCOCC(F)F 1458a_217856618621_200012177212 [0,2,0,0,0,0|2,0,0]=4 5392 B11R0.29 C[C@H](O)C(=O)NCCCC(=O)N 240690a_100000739312_217856618621 [0,2,0,0,0,0|1,0,1]=4 5393 B11R0.29 C[C@H](O)C(=O)NCCCN(C)C 240690a_102531767803_217856618621 [0,2,0,0,0,0|1,0,0]=3 5394 B11R0.29 C[C@H](O)C(=O)NCCCS(=O)C 240690a_200000753449_217856618621 [0,2,0,0,0,0|1,0,0]=3 5395 B11R0.29 C[C@H](O)C(=O)NNCCN(C)C 22a_100000738145_217856618621 [0,2,0,0,0,0|2,0,0]=4 5396 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000210198_100012094781 [0,2,0,0,0,0|2,0,0]=4 5397 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000694772_100000210206 [0,2,0,0,0,0|2,0,0]=4 5398 B11R0.42 C#CCCCCCC(=O)C(C)F 1458a_100000062450_100012094781 [0,2,0,0,0,0|2,0,0]=4 5399 B11R0.42 C#CCCCCCC(=O)C(O)O 1458a_100000233687_100012094781 [0,2,0,0,0,0|2,0,0]=4 5400 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [0,2,0,0,0,0|1,0,0]=3 5401 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [0,2,0,0,0,0|1,0,0]=3 5402 B11R0.42 C#CCCCCNC(=O)C(C)C 11a_100000706060_100000210198 [0,2,0,0,0,0|2,0,0]=4 5403 B11R0.42 C#CCCCCNC(=O)C(C)C 1626a_100000706060_100000210198 [0,2,0,0,0,0|2,0,0]=4 5404 B11R0.42 C#CCCCCNC(=O)C(C)C 240690a_100000706060_100000210198 [0,2,0,0,0,0|2,0,0]=4 5405 B11R0.42 C#CCCCCNC(=O)C(C)C 527a_100000706060_100000210198 [0,2,0,0,0,0|2,0,0]=4 5406 B11R0.42 C#CCCCCNC(=O)C(C)F 11a_100000706060_100000062450 [0,2,0,0,0,0|2,0,0]=4 5407 B11R0.42 C#CCCCCNC(=O)C(C)F 1626a_100000706060_100000062450 [0,2,0,0,0,0|2,0,0]=4 5408 B11R0.42 C#CCCCCNC(=O)C(C)F 240690a_100000706060_100000062450 [0,2,0,0,0,0|2,0,0]=4 5409 B11R0.42 C#CCCCCNC(=O)C(C)F 527a_100000706060_100000062450 [0,2,0,0,0,0|2,0,0]=4 5410 B11R0.42 C#CCCCCNC(=O)C(O)O 240690a_100000706060_100000233687 [0,2,0,0,0,0|2,0,0]=4 5411 B11R0.42 C#CCCCCNC(=O)[C@@H](C)O 240690a_100000706060_100000717761 [0,2,0,0,0,0|1,0,0]=3 5412 B11R0.42 C#CCCCCNC(=O)[C@H](C)O 1626a_100000706060_217856618621 [0,2,0,0,0,0|1,0,0]=3 5413 B11R0.42 C#CCCCCNC(=O)[C@H](C)O 240690a_100000706060_217856618621 [0,2,0,0,0,0|1,0,0]=3 5414 B11R0.42 C#CCCCOCC(=O)C(C)C 34a_100000215630_100000753385 [0,2,0,0,0,0|1,0,1]=4 5415 B11R0.42 C#CCCCOCC(=O)C(C)C 7a_100000215630_100000753385 [0,2,0,0,0,0|1,0,1]=4 5416 B11R0.42 C#CCCSCOC(=O)C(C)C 62a_100000139345_100000688953 [0,2,0,0,0,0|1,0,1]=4 5417 B11R0.42 C#CCCSCOC(=O)C(C)C 62a_100000688953_100000139345 [0,2,0,0,0,0|1,0,1]=4 5418 B11R0.42 C#CCOCCNC(=O)[C@@H](C)O 240690a_100000700922_100000717761 [0,2,0,0,0,0|1,0,1]=4 5419 B11R0.42 C#CCOCCNC(=O)[C@H](C)O 1626a_100000700922_217856618621 [0,2,0,0,0,0|1,0,1]=4 5420 B11R0.42 C#CCOCCNC(=O)[C@H](C)O 240690a_100000700922_217856618621 [0,2,0,0,0,0|1,0,1]=4 5421 B11R0.42 C/C=C/CCOCC(=O)C(C)C 34a_100016278192_100000753385 [0,2,0,0,0,0|1,0,1]=4 5422 B11R0.42 C/C=C/CSCOC(=O)C(C)C 62a_100000139345_100102629194 [0,2,0,0,0,0|1,0,1]=4 5423 B11R0.42 C/C=C/CSCOC(=O)C(C)C 62a_100102629194_100000139345 [0,2,0,0,0,0|1,0,1]=4 5424 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,2,0,0,0,0|1,0,1]=4 5425 B11R0.42 C=C(C)C(=O)OCCCCOC 7a_100000065474_200000210301 [0,2,0,0,0,0|1,0,1]=4 5426 B11R0.42 C=C(C)C(=O)OCCCCO[13CH3] 7a_100000065474_200025704644 [0,2,0,0,0,0|1,0,1]=4 5427 B11R0.42 C=C(C)C(=O)OCCCOCC 7a_100000032641_100000210202 [0,2,0,0,0,0|1,0,1]=4 5428 B11R0.42 C=C(C)C(=O)OCCCOCF 7a_100000032641_100015361967 [0,2,0,0,0,0|1,0,1]=4 5429 B11R0.42 C=C(C)C(=O)OCCNCCF 34a_100000724931_100009816335 [0,2,0,0,0,0|1,0,1]=4 5430 B11R0.42 C=C(C)C(=O)OCCNCCO 2230a_100016997473_100009816335 [0,2,0,0,0,0|1,0,1]=4 5431 B11R0.42 C=C(C)C(=O)OCCNCCO 34a_100016990907_100009816335 [0,2,0,0,0,0|1,0,1]=4 5432 B11R0.42 C=C(C)C(=O)OCCOCCBr 34a_100000211926_100009816335 [0,2,0,0,0,0|1,0,1]=4 5433 B11R0.42 C=C(C)C(=O)OCCOCCC 34a_100000210258_100009816335 [0,2,0,0,0,0|1,0,1]=4 5434 B11R0.42 C=C(C)C(=O)OCCOCCN 34a_100000210304_100009816335 [0,2,0,0,0,0|1,0,1]=4 5435 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100000210303_100009816335 [0,2,0,0,0,0|1,0,1]=4 5436 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100009816335_100000210303 [0,2,0,0,0,0|1,0,1]=4 5437 B11R0.42 C=C(C)C(=O)OCCSCCF 62a_100009816335_100011217306 [0,2,0,0,0,0|1,0,1]=4 5438 B11R0.42 C=C(C)C(=O)OCCSCCF 62a_100011217306_100009816335 [0,2,0,0,0,0|1,0,1]=4 5439 B11R0.42 C=C(C)C(=O)OCCSCCO 62a_100000211926_100009816335 [0,2,0,0,0,0|1,0,1]=4 5440 B11R0.42 C=C(C)C(=O)OCCSCCO 62a_100009816335_100000211926 [0,2,0,0,0,0|1,0,1]=4 5441 B11R0.42 C=C(C)C(=O)OCCSCOC 62a_100000766300_100009816335 [0,2,0,0,0,0|1,0,1]=4 5442 B11R0.42 C=C(C)C(=O)OCCSCOC 62a_100009816335_100000766300 [0,2,0,0,0,0|1,0,1]=4 5443 B11R0.42 C=C(C)C(=O)OCCSCSC 62a_100009816335_100011218213 [0,2,0,0,0,0|1,0,1]=4 5444 B11R0.42 C=C(C)C(=O)OCCSCSC 62a_100011218213_100009816335 [0,2,0,0,0,0|1,0,1]=4 5445 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100000210198_100000700193 [0,2,0,0,0,0|2,0,0]=4 5446 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100011934241_100000210206 [0,2,0,0,0,0|2,0,0]=4 5447 B11R0.42 C=CCCCCCC(=O)C(C)F 1458a_100000062450_100000700193 [0,2,0,0,0,0|2,0,0]=4 5448 B11R0.42 C=CCCCCCC(=O)C(O)O 1458a_100000233687_100000700193 [0,2,0,0,0,0|2,0,0]=4 5449 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,2,0,0,0,0|1,0,0]=3 5450 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,2,0,0,0,0|1,0,0]=3 5451 B11R0.42 C=CCCCCNC(=O)C(C)C 11a_100000703577_100000210198 [0,2,0,0,0,0|2,0,0]=4 5452 B11R0.42 C=CCCCCNC(=O)C(C)C 1626a_100000703577_100000210198 [0,2,0,0,0,0|2,0,0]=4 5453 B11R0.42 C=CCCCCNC(=O)C(C)C 240690a_100000703577_100000210198 [0,2,0,0,0,0|2,0,0]=4 5454 B11R0.42 C=CCCCCNC(=O)C(C)C 527a_100000703577_100000210198 [0,2,0,0,0,0|2,0,0]=4 5455 B11R0.42 C=CCCCCNC(=O)C(C)F 11a_100000703577_100000062450 [0,2,0,0,0,0|2,0,0]=4 5456 B11R0.42 C=CCCCCNC(=O)C(C)F 1626a_100000703577_100000062450 [0,2,0,0,0,0|2,0,0]=4 5457 B11R0.42 C=CCCCCNC(=O)C(C)F 240690a_100000703577_100000062450 [0,2,0,0,0,0|2,0,0]=4 5458 B11R0.42 C=CCCCCNC(=O)C(C)F 527a_100000703577_100000062450 [0,2,0,0,0,0|2,0,0]=4 5459 B11R0.42 C=CCCCCNC(=O)C(O)O 240690a_100000703577_100000233687 [0,2,0,0,0,0|2,0,0]=4 5460 B11R0.42 C=CCCCCNC(=O)[C@@H](C)O 240690a_100000703577_100000717761 [0,2,0,0,0,0|1,0,0]=3 5461 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 1626a_100000703577_217856618621 [0,2,0,0,0,0|1,0,0]=3 5462 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 240690a_100000703577_217856618621 [0,2,0,0,0,0|1,0,0]=3 5463 B11R0.42 C=CCCCOCC(=O)C(C)C 34a_100000758997_100000753385 [0,2,0,0,0,0|1,0,1]=4 5464 B11R0.42 C=CCCCOCC(=O)C(C)C 7a_100000758997_100000753385 [0,2,0,0,0,0|1,0,1]=4 5465 B11R0.42 C=CCCSCOC(=O)C(C)C 62a_100000139345_100000754431 [0,2,0,0,0,0|1,0,1]=4 5466 B11R0.42 C=CCCSCOC(=O)C(C)C 62a_100000754431_100000139345 [0,2,0,0,0,0|1,0,1]=4 5467 B11R0.42 C=COCCCNC(=O)[C@@H](C)O 240690a_100000210767_100000717761 [0,2,0,0,0,0|1,0,1]=4 5468 B11R0.42 C=COCCCNC(=O)[C@H](C)O 1626a_100000210767_217856618621 [0,2,0,0,0,0|1,0,1]=4 5469 B11R0.42 C=COCCCNC(=O)[C@H](C)O 240690a_100000210767_217856618621 [0,2,0,0,0,0|1,0,1]=4 5470 B11R0.42 CC#CCCOCC(=O)C(C)C 34a_100000750427_100000753385 [0,2,0,0,0,0|1,0,1]=4 5471 B11R0.42 CC#CCSCOC(=O)C(C)C 62a_100000139345_100000748600 [0,2,0,0,0,0|1,0,1]=4 5472 B11R0.42 CC#CCSCOC(=O)C(C)C 62a_100000748600_100000139345 [0,2,0,0,0,0|1,0,1]=4 5473 B11R0.42 CC(=O)C(=O)COCCCCBr 34a_100011216708_100011261029 [0,2,0,0,0,0|0,0,2]=4 5474 B11R0.42 CC(=O)C(=O)COCCCCCl 34a_100000210776_100011261029 [0,2,0,0,0,0|0,0,2]=4 5475 B11R0.42 CC(=O)C(=O)COCCCCF 34a_100011995726_100011261029 [0,2,0,0,0,0|0,0,2]=4 5476 B11R0.42 CC(=O)C(=O)COCCCCI 34a_200012148704_100011261029 [0,2,0,0,0,0|0,0,2]=4 5477 B11R0.42 CC(=O)C(=O)COCCCCN 34a_100000750430_100011261029 [0,2,0,0,0,0|0,0,2]=4 5478 B11R0.42 CC(C)C(=O)CCCCCC#N 1458a_100000210198_100009813376 [0,2,0,0,0,0|2,0,0]=4 5479 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,2,0,0,0,0|2,0,0]=4 5480 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,2,0,0,0,0|2,0,0]=4 5481 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,2,0,0,0,0|2,0,0]=4 5482 B11R0.42 CC(C)C(=O)CNCCCCO 2230a_100000750430_100000753385 [0,2,0,0,0,0|2,0,0]=4 5483 B11R0.42 CC(C)C(=O)CNCCCCO 34a_100000750430_100000753385 [0,2,0,0,0,0|2,0,0]=4 5484 B11R0.42 CC(C)C(=O)COCCCCBr 34a_100011216708_100000753385 [0,2,0,0,0,0|1,0,0]=3 5485 B11R0.42 CC(C)C(=O)COCCCCCl 34a_100000210776_100000753385 [0,2,0,0,0,0|1,0,0]=3 5486 B11R0.42 CC(C)C(=O)COCCCCCl 7a_100000210776_100000753385 [0,2,0,0,0,0|1,0,0]=3 5487 B11R0.42 CC(C)C(=O)COCCCCF 34a_100011995726_100000753385 [0,2,0,0,0,0|1,0,0]=3 5488 B11R0.42 CC(C)C(=O)COCCCCF 7a_100011995726_100000753385 [0,2,0,0,0,0|1,0,0]=3 5489 B11R0.42 CC(C)C(=O)COCCCCI 34a_200012148704_100000753385 [0,2,0,0,0,0|1,0,0]=3 5490 B11R0.42 CC(C)C(=O)COCCCCN 34a_100000750430_100000753385 [0,2,0,0,0,0|1,0,0]=3 5491 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000729493_100000753385 [0,2,0,0,0,0|1,1,0]=4 5492 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000753385_100000729493 [0,2,0,0,0,0|1,1,0]=4 5493 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000210776_100000753385 [0,2,0,0,0,0|1,1,0]=4 5494 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000753385_100000210776 [0,2,0,0,0,0|1,1,0]=4 5495 B11R0.42 CC(C)C(=O)NCCCCC#N 11a_100000751965_100000210198 [0,2,0,0,0,0|2,0,0]=4 5496 B11R0.42 CC(C)C(=O)NCCCCC#N 1626a_100000751965_100000210198 [0,2,0,0,0,0|2,0,0]=4 5497 B11R0.42 CC(C)C(=O)NCCCCC#N 240690a_100000751965_100000210198 [0,2,0,0,0,0|2,0,0]=4 5498 B11R0.42 CC(C)C(=O)NCCCCC#N 527a_100000751965_100000210198 [0,2,0,0,0,0|2,0,0]=4 5499 B11R0.42 CC(C)C(=O)NCCCCCO 240690a_100000762737_100000210198 [0,2,0,0,0,0|2,0,0]=4 5500 B11R0.42 CC(C)C(=O)NCCNCCF 2230a_100000752568_100011217306 [0,2,0,0,0,0|2,0,0]=4 5501 B11R0.42 CC(C)C(=O)NCCNCCF 34a_100000752568_100011217306 [0,2,0,0,0,0|2,0,0]=4 5502 B11R0.42 CC(C)C(=O)NCCNCCO 2230a_100000752568_100000211926 [0,2,0,0,0,0|2,0,0]=4 5503 B11R0.42 CC(C)C(=O)NCCNCCO 34a_100000752568_100000211926 [0,2,0,0,0,0|2,0,0]=4 5504 B11R0.42 CC(C)C(=O)NCCOCCO 240690a_100000211614_100000210198 [0,2,0,0,0,0|2,0,0]=4 5505 B11R0.42 CC(C)C(=O)NCCSCCO 240690a_100011219999_100000210198 [0,2,0,0,0,0|2,0,0]=4 5506 B11R0.42 CC(C)C(=O)NCCSCCO 527a_100011219999_100000210198 [0,2,0,0,0,0|2,0,0]=4 5507 B11R0.42 CC(C)C(=O)OCSCCC#N 62a_100000139345_100011215226 [0,2,0,0,0,0|1,0,1]=4 5508 B11R0.42 CC(C)C(=O)OCSCCC#N 62a_100011215226_100000139345 [0,2,0,0,0,0|1,0,1]=4 5509 B11R0.42 CC(C)C(=O)OCSCCCF 62a_100000139345_100011934791 [0,2,0,0,0,0|1,0,0]=3 5510 B11R0.42 CC(C)C(=O)OCSCCCF 62a_100011934791_100000139345 [0,2,0,0,0,0|1,0,0]=3 5511 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100000139345_100011215043 [0,2,0,0,0,0|1,0,0]=3 5512 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100011215043_100000139345 [0,2,0,0,0,0|1,0,0]=3 5513 B11R0.42 CC(F)C(=O)CCCCCC#N 1458a_100000062450_100009813376 [0,2,0,0,0,0|2,0,0]=4 5514 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,2,0,0,0,0|2,0,0]=4 5515 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,2,0,0,0,0|2,0,0]=4 5516 B11R0.42 CC(F)C(=O)NCCCCC#N 11a_100000751965_100000062450 [0,2,0,0,0,0|2,0,0]=4 5517 B11R0.42 CC(F)C(=O)NCCCCC#N 1626a_100000751965_100000062450 [0,2,0,0,0,0|2,0,0]=4 5518 B11R0.42 CC(F)C(=O)NCCCCC#N 240690a_100000751965_100000062450 [0,2,0,0,0,0|2,0,0]=4 5519 B11R0.42 CC(F)C(=O)NCCCCC#N 527a_100000751965_100000062450 [0,2,0,0,0,0|2,0,0]=4 5520 B11R0.42 CC(F)C(=O)NCCCCCO 240690a_100000762737_100000062450 [0,2,0,0,0,0|2,0,0]=4 5521 B11R0.42 CC(F)C(=O)NCCOCCO 240690a_100000211614_100000062450 [0,2,0,0,0,0|2,0,0]=4 5522 B11R0.42 CC(F)C(=O)NCCSCCO 240690a_100011219999_100000062450 [0,2,0,0,0,0|2,0,0]=4 5523 B11R0.42 CC(F)C(=O)NCCSCCO 527a_100011219999_100000062450 [0,2,0,0,0,0|2,0,0]=4 5524 B11R0.42 CC/C=C\COCC(=O)C(C)C 34a_100016268518_100000753385 [0,2,0,0,0,0|1,0,1]=4 5525 B11R0.42 CC=CCSCOC(=O)C(C)C 62a_100000070051_100000139345 [0,2,0,0,0,0|1,0,1]=4 5526 B11R0.42 CC=CCSCOC(=O)C(C)C 62a_100000139345_100000070051 [0,2,0,0,0,0|1,0,1]=4 5527 B11R0.42 CCC#CCOCC(=O)C(C)C 34a_100000032950_100000753385 [0,2,0,0,0,0|1,0,1]=4 5528 B11R0.42 CCCC/C=C/CC(=O)C(C)C 1458a_200016282684_100000210206 [0,2,0,0,0,0|2,0,0]=4 5529 B11R0.42 CCCCC=NNC(=O)C(C)C 4a_100000184118_100000210104 [0,2,0,0,0,0|2,0,0]=4 5530 B11R0.42 CCCCCC#CC(=O)C(C)C 1458a_100011215388_100000210206 [0,2,0,0,0,0|2,0,0]=4 5531 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [0,2,0,0,0,0|2,0,0]=4 5532 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,2,0,0,0,0|2,0,0]=4 5533 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,2,0,0,0,0|2,0,0]=4 5534 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,2,0,0,0,0|2,0,0]=4 5535 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,2,0,0,0,0|2,0,0]=4 5536 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|1,0,0]=3 5537 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|1,0,0]=3 5538 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 5539 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 5540 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 5541 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 5542 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 5543 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 5544 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 5545 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 5546 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,2,0,0,0,0|2,0,0]=4 5547 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,2,0,0,0,0|1,0,0]=3 5548 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,2,0,0,0,0|1,0,0]=3 5549 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,2,0,0,0,0|1,0,0]=3 5550 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,2,0,0,0,0|2,0,0]=4 5551 B11R0.42 CCCCCNN=C(C)C(C)O 4a_100000694160_100000212229 [0,2,0,0,0,0|2,0,0]=4 5552 B11R0.42 CCCCCNNC(=O)C(C)C 22a_100000694160_100000210198 [0,2,0,0,0,0|2,0,0]=4 5553 B11R0.42 CCCCCNNC(=O)C(C)F 22a_100000694160_100000062450 [0,2,0,0,0,0|2,0,0]=4 5554 B11R0.42 CCCCCNNC(=O)C(O)O 22a_100000694160_100000233687 [0,2,0,0,0,0|2,0,0]=4 5555 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [0,2,0,0,0,0|1,0,0]=3 5556 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [0,2,0,0,0,0|1,0,0]=3 5557 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,2,0,0,0,0|0,0,2]=4 5558 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,2,0,0,0,0|1,0,0]=3 5559 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,2,0,0,0,0|1,0,0]=3 5560 B11R0.42 CCCCCOCC(=O)N(C)C 34a_100000210253_100000692301 [0,2,0,0,0,0|2,0,0]=4 5561 B11R0.42 CCCCCOCC(=O)N(C)C 7a_100000210253_100000692301 [0,2,0,0,0,0|2,0,0]=4 5562 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,2,0,0,0,0|1,1,0]=4 5563 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,2,0,0,0,0|1,1,0]=4 5564 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [0,2,0,0,0,0|1,0,0]=3 5565 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [0,2,0,0,0,0|1,0,0]=3 5566 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,2,0,0,0,0|1,0,0]=3 5567 B11R0.42 CCCCOCCC(=O)N(C)C 34a_200000747469_100000210210 [0,2,0,0,0,0|2,0,0]=4 5568 B11R0.42 CCCCOCCC(=O)N(C)C 7a_100000210227_100000737620 [0,2,0,0,0,0|2,0,0]=4 5569 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,2,0,0,0,0|0,0,0]=2 5570 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,2,0,0,0,0|0,0,0]=2 5571 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000139345_100000210210 [0,2,0,0,0,0|1,0,0]=3 5572 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000210211_100000139345 [0,2,0,0,0,0|1,0,0]=3 5573 B11R0.42 CCCNCCNC(=O)C(C)C 2230a_100000752568_100000210303 [0,2,0,0,0,0|2,0,0]=4 5574 B11R0.42 CCCNCCNC(=O)C(C)C 34a_100000752568_100000210303 [0,2,0,0,0,0|2,0,0]=4 5575 B11R0.42 CCCOCCNC(=O)C(C)C 1626a_100161115042_100000210198 [0,2,0,0,0,0|2,0,0]=4 5576 B11R0.42 CCCOCCNC(=O)C(C)C 240690a_100161115042_100000210198 [0,2,0,0,0,0|2,0,0]=4 5577 B11R0.42 CCCOCCNC(=O)C(C)C 527a_100161115042_100000210198 [0,2,0,0,0,0|2,0,0]=4 5578 B11R0.42 CCCOCCNC(=O)C(C)F 1626a_100161115042_100000062450 [0,2,0,0,0,0|2,0,0]=4 5579 B11R0.42 CCCOCCNC(=O)C(C)F 240690a_100161115042_100000062450 [0,2,0,0,0,0|2,0,0]=4 5580 B11R0.42 CCCOCCNC(=O)C(C)F 527a_100161115042_100000062450 [0,2,0,0,0,0|2,0,0]=4 5581 B11R0.42 CCCOCCNC(=O)C(O)O 240690a_100161115042_100000233687 [0,2,0,0,0,0|2,0,0]=4 5582 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [0,2,0,0,0,0|1,0,0]=3 5583 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [0,2,0,0,0,0|1,0,0]=3 5584 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [0,2,0,0,0,0|1,0,0]=3 5585 B11R0.42 CCCSCCNC(=O)C(C)C 11a_100020603323_100000210198 [0,2,0,0,0,0|2,0,0]=4 5586 B11R0.42 CCCSCCNC(=O)C(C)C 240690a_100020603323_100000210198 [0,2,0,0,0,0|2,0,0]=4 5587 B11R0.42 CCCSCCNC(=O)C(C)C 527a_100020603323_100000210198 [0,2,0,0,0,0|2,0,0]=4 5588 B11R0.42 CCCSCCNC(=O)C(C)F 11a_100020603323_100000062450 [0,2,0,0,0,0|2,0,0]=4 5589 B11R0.42 CCCSCCNC(=O)C(C)F 240690a_100020603323_100000062450 [0,2,0,0,0,0|2,0,0]=4 5590 B11R0.42 CCCSCCNC(=O)C(C)F 527a_100020603323_100000062450 [0,2,0,0,0,0|2,0,0]=4 5591 B11R0.42 CCCSCCNC(=O)C(O)O 240690a_100020603323_100000233687 [0,2,0,0,0,0|2,0,0]=4 5592 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [0,2,0,0,0,0|1,0,0]=3 5593 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [0,2,0,0,0,0|1,0,0]=3 5594 B11R0.42 CCOCCCNC(=O)C(C)C 11a_100000210961_100000210198 [0,2,0,0,0,0|2,0,0]=4 5595 B11R0.42 CCOCCCNC(=O)C(C)C 1626a_100000210961_100000210198 [0,2,0,0,0,0|2,0,0]=4 5596 B11R0.42 CCOCCCNC(=O)C(C)C 240690a_100000210961_100000210198 [0,2,0,0,0,0|2,0,0]=4 5597 B11R0.42 CCOCCCNC(=O)C(C)C 527a_100000210961_100000210198 [0,2,0,0,0,0|2,0,0]=4 5598 B11R0.42 CCOCCCNC(=O)C(C)F 11a_100000210961_100000062450 [0,2,0,0,0,0|2,0,0]=4 5599 B11R0.42 CCOCCCNC(=O)C(C)F 1626a_100000210961_100000062450 [0,2,0,0,0,0|2,0,0]=4 5600 B11R0.42 CCOCCCNC(=O)C(C)F 240690a_100000210961_100000062450 [0,2,0,0,0,0|2,0,0]=4 5601 B11R0.42 CCOCCCNC(=O)C(C)F 527a_100000210961_100000062450 [0,2,0,0,0,0|2,0,0]=4 5602 B11R0.42 CCOCCCNC(=O)C(O)O 240690a_100000210961_100000233687 [0,2,0,0,0,0|2,0,0]=4 5603 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 240690a_100000210961_100000717761 [0,2,0,0,0,0|1,0,0]=3 5604 B11R0.42 CCOCCCNC(=O)[C@H](C)O 1626a_100000210961_217856618621 [0,2,0,0,0,0|1,0,0]=3 5605 B11R0.42 CCOCCCNC(=O)[C@H](C)O 240690a_100000210961_217856618621 [0,2,0,0,0,0|1,0,0]=3 5606 B11R0.42 CCOCCNCC(=O)C(C)C 2230a_102516460346_100000753385 [0,2,0,0,0,0|2,0,0]=4 5607 B11R0.42 CCOCCNCC(=O)C(C)C 34a_102516460346_100000753385 [0,2,0,0,0,0|2,0,0]=4 5608 B11R0.42 CCOCCNN=C(C)C(C)O 4a_100000732670_100000212229 [0,2,0,0,0,0|2,0,0]=4 5609 B11R0.42 CCOCCNNC(=O)C(C)C 22a_100000732670_100000210198 [0,2,0,0,0,0|2,0,0]=4 5610 B11R0.42 CCOCCNNC(=O)C(C)F 22a_100000732670_100000062450 [0,2,0,0,0,0|2,0,0]=4 5611 B11R0.42 CCOCCNNC(=O)C(O)O 22a_100000732670_100000233687 [0,2,0,0,0,0|2,0,0]=4 5612 B11R0.42 CCOCCNNC(=O)[C@@H](C)O 22a_100000732670_100000717761 [0,2,0,0,0,0|1,0,0]=3 5613 B11R0.42 CCOCCNNC(=O)[C@H](C)O 22a_100000732670_217856618621 [0,2,0,0,0,0|1,0,0]=3 5614 B11R0.42 CCOCCOCC(=O)C(=O)C 34a_100000210136_100011261029 [0,2,0,0,0,0|0,0,2]=4 5615 B11R0.42 CCOCCOCC(=O)C(C)C 34a_100000210136_100000753385 [0,2,0,0,0,0|1,0,0]=3 5616 B11R0.42 CCOCCOCC(=O)C(C)C 7a_100000210136_100000753385 [0,2,0,0,0,0|1,0,0]=3 5617 B11R0.42 CCOCCOCC(=O)N(C)C 34a_100000210136_100000692301 [0,2,0,0,0,0|2,0,0]=4 5618 B11R0.42 CCOCCOCC(=O)N(C)C 7a_100000210136_100000692301 [0,2,0,0,0,0|2,0,0]=4 5619 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000210147_100000753385 [0,2,0,0,0,0|1,1,0]=4 5620 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000753385_100011215890 [0,2,0,0,0,0|1,1,0]=4 5621 B11R0.42 CCOCSCOC(=O)C(C)C 62a_100000139345_100000739092 [0,2,0,0,0,0|1,0,0]=3 5622 B11R0.42 CCOCSCOC(=O)C(C)C 62a_100000739092_100000139345 [0,2,0,0,0,0|1,0,0]=3 5623 B11R0.42 CCSCCNCC(=O)C(C)C 2230a_100000106463_100000753385 [0,2,0,0,0,0|2,0,0]=4 5624 B11R0.42 CCSCCOCC(=O)C(=O)C 34a_100000212035_100011261029 [0,2,0,0,0,0|0,0,2]=4 5625 B11R0.42 CCSCCOCC(=O)C(C)C 34a_100000212035_100000753385 [0,2,0,0,0,0|1,0,0]=3 5626 B11R0.42 CCSCCOCC(=O)C(C)C 7a_100000212035_100000753385 [0,2,0,0,0,0|1,0,0]=3 5627 B11R0.42 CCSCCOCC(=O)N(C)C 34a_100000212035_100000692301 [0,2,0,0,0,0|2,0,0]=4 5628 B11R0.42 CCSCCOCC(=O)N(C)C 7a_100000212035_100000692301 [0,2,0,0,0,0|2,0,0]=4 5629 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000753385_100000757381 [0,2,0,0,0,0|1,1,0]=4 5630 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000757381_100000753385 [0,2,0,0,0,0|1,1,0]=4 5631 B11R0.42 CN(C)C(=O)COCCCCBr 34a_100011216708_100000692301 [0,2,0,0,0,0|2,0,0]=4 5632 B11R0.42 CN(C)C(=O)COCCCCCl 34a_100000210776_100000692301 [0,2,0,0,0,0|2,0,0]=4 5633 B11R0.42 CN(C)C(=O)COCCCCCl 7a_100000210776_100000692301 [0,2,0,0,0,0|2,0,0]=4 5634 B11R0.42 CN(C)C(=O)COCCCCF 34a_100011995726_100000692301 [0,2,0,0,0,0|2,0,0]=4 5635 B11R0.42 CN(C)C(=O)COCCCCF 7a_100011995726_100000692301 [0,2,0,0,0,0|2,0,0]=4 5636 B11R0.42 CN(C)C(=O)COCCCCI 34a_200012148704_100000692301 [0,2,0,0,0,0|2,0,0]=4 5637 B11R0.42 CN(C)C(=O)COCCCCN 34a_100000750430_100000692301 [0,2,0,0,0,0|2,0,0]=4 5638 B11R0.42 CNCCCOCC(=O)C(=O)C 34a_100000213112_100011261029 [0,2,0,0,0,0|0,0,2]=4 5639 B11R0.42 CNCCCOCC(=O)C(C)C 34a_100000213112_100000753385 [0,2,0,0,0,0|1,0,0]=3 5640 B11R0.42 CNCCCOCC(=O)N(C)C 34a_100000213112_100000692301 [0,2,0,0,0,0|2,0,0]=4 5641 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [0,2,0,0,0,0|2,0,0]=4 5642 B11R0.42 COCCCNCC(=O)C(C)C 34a_100150723488_100000753385 [0,2,0,0,0,0|2,0,0]=4 5643 B11R0.42 COCCCNNC(=O)C(C)C 22a_100025702787_100000210198 [0,2,0,0,0,0|2,0,0]=4 5644 B11R0.42 COCCCNNC(=O)C(C)F 22a_100025702787_100000062450 [0,2,0,0,0,0|2,0,0]=4 5645 B11R0.42 COCCCNNC(=O)C(O)O 22a_100025702787_100000233687 [0,2,0,0,0,0|2,0,0]=4 5646 B11R0.42 COCCCNNC(=O)[C@@H](C)O 22a_100025702787_100000717761 [0,2,0,0,0,0|1,0,0]=3 5647 B11R0.42 COCCCNNC(=O)[C@H](C)O 22a_100025702787_217856618621 [0,2,0,0,0,0|1,0,0]=3 5648 B11R0.42 COCCCOCC(=O)C(=O)C 34a_100000740835_100011261029 [0,2,0,0,0,0|0,0,2]=4 5649 B11R0.42 COCCCOCC(=O)C(C)C 34a_100000740835_100000753385 [0,2,0,0,0,0|1,0,0]=3 5650 B11R0.42 COCCCOCC(=O)N(C)C 34a_100000740835_100000692301 [0,2,0,0,0,0|2,0,0]=4 5651 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000709357_100000753385 [0,2,0,0,0,0|1,1,0]=4 5652 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000753385_100000709357 [0,2,0,0,0,0|1,1,0]=4 5653 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000210198_100000695917 [0,2,0,0,0,0|2,0,0]=4 5654 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000745395_100000210206 [0,2,0,0,0,0|2,0,0]=4 5655 B11R0.42 COCCOCCC(=O)C(C)F 1458a_100000062450_100000695917 [0,2,0,0,0,0|2,0,0]=4 5656 B11R0.42 COCCOCCC(=O)C(O)O 1458a_100000233687_100000695917 [0,2,0,0,0,0|2,0,0]=4 5657 B11R0.42 COCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000695917 [0,2,0,0,0,0|1,0,0]=3 5658 B11R0.42 COCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000695917 [0,2,0,0,0,0|1,0,0]=3 5659 B11R0.42 COCCSCOC(=O)C(C)C 62a_100000139345_100000233755 [0,2,0,0,0,0|1,0,0]=3 5660 B11R0.42 COCCSCOC(=O)C(C)C 62a_100000233755_100000139345 [0,2,0,0,0,0|1,0,0]=3 5661 B11R0.42 COCNCCNC(=O)C(C)C 2230a_100000752568_100000766300 [0,2,0,0,0,0|2,0,0]=4 5662 B11R0.42 CSCCCNCC(=O)C(C)C 2230a_100000749238_100000753385 [0,2,0,0,0,0|2,0,0]=4 5663 B11R0.42 CSCCCOCC(=O)C(=O)C 34a_100000690336_100011261029 [0,2,0,0,0,0|0,0,2]=4 5664 B11R0.42 CSCCCOCC(=O)C(C)C 34a_100000690336_100000753385 [0,2,0,0,0,0|1,0,0]=3 5665 B11R0.42 CSCCCOCC(=O)C(C)C 7a_100000690336_100000753385 [0,2,0,0,0,0|1,0,0]=3 5666 B11R0.42 CSCCCOCC(=O)N(C)C 34a_100000690336_100000692301 [0,2,0,0,0,0|2,0,0]=4 5667 B11R0.42 CSCCCOCC(=O)N(C)C 7a_100000690336_100000692301 [0,2,0,0,0,0|2,0,0]=4 5668 B11R0.42 CSCCSCOC(=O)C(C)C 62a_100000139345_100000751147 [0,2,0,0,0,0|1,0,0]=3 5669 B11R0.42 CSCCSCOC(=O)C(C)C 62a_100000212216_100000139345 [0,2,0,0,0,0|1,0,0]=3 5670 B11R0.42 CSCNCCNC(=O)C(C)C 2230a_100000752568_100011218213 [0,2,0,0,0,0|2,0,0]=4 5671 B11R0.42 CSCNCCNC(=O)C(C)C 34a_100000752568_100011218213 [0,2,0,0,0,0|2,0,0]=4 5672 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [0,2,0,0,0,0|1,0,0]=3 5673 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,2,0,0,0,0|1,0,0]=3 5674 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,2,0,0,0,0|1,0,0]=3 5675 B11R0.42 C[C@@H](O)C(=O)NCCCCC#N 240690a_100000751965_100000717761 [0,2,0,0,0,0|1,0,0]=3 5676 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,2,0,0,0,0|1,0,0]=3 5677 B11R0.42 C[C@@H](O)C(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000717761 [0,2,0,0,0,0|2,0,0]=4 5678 B11R0.42 C[C@@H](O)C(=O)NCCOCCO 240690a_100000211614_100000717761 [0,2,0,0,0,0|1,0,0]=3 5679 B11R0.42 C[C@@H](O)C(=O)NCCSCCO 240690a_100011219999_100000717761 [0,2,0,0,0,0|1,0,0]=3 5680 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [0,2,0,0,0,0|1,0,0]=3 5681 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,2,0,0,0,0|1,0,0]=3 5682 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,2,0,0,0,0|1,0,0]=3 5683 B11R0.42 C[C@H](O)C(=O)NCCCCC#N 1626a_100000751965_217856618621 [0,2,0,0,0,0|1,0,0]=3 5684 B11R0.42 C[C@H](O)C(=O)NCCCCC#N 240690a_100000751965_217856618621 [0,2,0,0,0,0|1,0,0]=3 5685 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,2,0,0,0,0|1,0,0]=3 5686 B11R0.42 C[C@H](O)C(=O)NCCCN=[N+]=[N-] 240690a_100000744732_217856618621 [0,2,0,0,0,0|2,0,0]=4 5687 B11R0.42 C[C@H](O)C(=O)NCCOCCO 240690a_100000211614_217856618621 [0,2,0,0,0,0|1,0,0]=3 5688 B11R0.42 C[C@H](O)C(=O)NCCSCCO 240690a_100011219999_217856618621 [0,2,0,0,0,0|1,0,0]=3 5689 B11R0.42 N#CCCCCCC(=O)C(O)O 1458a_100000233687_100009813376 [0,2,0,0,0,0|2,0,0]=4 5690 B11R0.42 N#CCCCCNC(=O)C(O)O 240690a_100000751965_100000233687 [0,2,0,0,0,0|2,0,0]=4 5691 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,2,0,0,0,0|2,0,0]=4 5692 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,2,0,0,0,0|2,0,0]=4 5693 B11R0.42 O=C(NCCCCCO)C(O)O 240690a_100000762737_100000233687 [0,2,0,0,0,0|2,0,0]=4 5694 B11R0.42 O=C(NCCOCCO)C(O)O 240690a_100000211614_100000233687 [0,2,0,0,0,0|2,0,0]=4 5695 B11R0.42 O=C(NCCSCCO)C(O)O 240690a_100011219999_100000233687 [0,2,0,0,0,0|2,0,0]=4 5696 B11R0.109 C#CC(C)SCOC(=O)C(C)C 62a_200000035995_100000139345 [0,2,0,0,0,0|2,0,0]=4 5697 B11R0.109 C=C(C)C(=O)OCCC(=O)CC 1458a_100000210414_100009816335 [0,2,0,0,0,0|1,0,1]=4 5698 B11R0.109 C=C(C)C(=O)OCCN(C)CC 2230a_100000225621_100009816335 [0,2,0,0,0,0|1,0,1]=4 5699 B11R0.109 C=C(C)C(=O)OCCN(C)CC 269982a_100000225621_100009816335 [0,2,0,0,0,0|1,0,1]=4 5700 B11R0.109 C=CC(C)SCOC(=O)C(C)C 62a_100011215867_100000139345 [0,2,0,0,0,0|2,0,0]=4 5701 B11R0.109 CC(C#N)CNNC(=O)[C@@H](C)O 22a_100000045663_100000717761 [0,2,0,0,0,0|2,0,0]=4 5702 B11R0.109 CC(C#N)CNNC(=O)[C@H](C)O 22a_100000045663_217856618621 [0,2,0,0,0,0|2,0,0]=4 5703 B11R0.109 CC(C#N)SCOC(=O)C(C)C 62a_100000139345_100000703298 [0,2,0,0,0,0|2,0,0]=4 5704 B11R0.109 CC(C#N)SCOC(=O)C(C)C 62a_100000703298_100000139345 [0,2,0,0,0,0|2,0,0]=4 5705 B11R0.109 CC(C)C(=O)COCC(Cl)CCl 34a_100000033668_100000753385 [0,2,0,0,0,0|2,0,0]=4 5706 B11R0.109 CC(C)C(=O)COC[C@H](F)CN 34a_100015665980_100000753385 [0,2,0,0,0,0|2,0,0]=4 5707 B11R0.109 CC(C)C(=O)OCS[C@H](C)CO 62a_100000139345_100016084084 [0,2,0,0,0,0|2,0,0]=4 5708 B11R0.109 CC(C)C(=O)OCS[C@H](C)CO 62a_100016084084_100000139345 [0,2,0,0,0,0|2,0,0]=4 5709 B11R0.109 CC(CN)COCC(=O)C(C)C 34a_100000744482_100000753385 [0,2,0,0,0,0|2,0,0]=4 5710 B11R0.109 CC(CO)CCNC(=O)C(C)C 240690a_106354213184_100000210198 [0,2,0,0,0,0|2,0,0]=4 5711 B11R0.109 CC(CO)CCNC(=O)C(C)C 527a_106354213184_100000210198 [0,2,0,0,0,0|2,0,0]=4 5712 B11R0.109 CC(CO)CCNC(=O)C(C)F 240690a_106354213184_100000062450 [0,2,0,0,0,0|2,0,0]=4 5713 B11R0.109 CC(CO)CCNC(=O)C(C)F 527a_106354213184_100000062450 [0,2,0,0,0,0|2,0,0]=4 5714 B11R0.109 CC(CO)CCNC(=O)C(O)O 240690a_106354213184_100000233687 [0,2,0,0,0,0|2,0,0]=4 5715 B11R0.109 CC(CO)CCNC(=O)[C@@H](C)O 240690a_106354213184_100000717761 [0,2,0,0,0,0|1,0,0]=3 5716 B11R0.109 CC(CO)CCNC(=O)[C@H](C)O 240690a_106354213184_217856618621 [0,2,0,0,0,0|1,0,0]=3 5717 B11R0.109 CC(CO)SCOC(=O)C(C)C 62a_100012180447_100000139345 [0,2,0,0,0,0|2,0,0]=4 5718 B11R0.109 CCC(=O)COCC(=O)C(C)C 34a_100000725409_100000753385 [0,2,0,0,0,0|1,0,1]=4 5719 B11R0.109 CCC(C)CCNC(=O)C(C)C 11a_100020591266_100000210198 [0,2,0,0,0,0|2,0,0]=4 5720 B11R0.109 CCC(C)CCNC(=O)C(C)C 1626a_100020591266_100000210198 [0,2,0,0,0,0|2,0,0]=4 5721 B11R0.109 CCC(C)CCNC(=O)C(C)C 240690a_100020591266_100000210198 [0,2,0,0,0,0|2,0,0]=4 5722 B11R0.109 CCC(C)CCNC(=O)C(C)C 527a_100020591266_100000210198 [0,2,0,0,0,0|2,0,0]=4 5723 B11R0.109 CCC(C)CCNC(=O)C(C)F 11a_100020591266_100000062450 [0,2,0,0,0,0|2,0,0]=4 5724 B11R0.109 CCC(C)CCNC(=O)C(C)F 1626a_100020591266_100000062450 [0,2,0,0,0,0|2,0,0]=4 5725 B11R0.109 CCC(C)CCNC(=O)C(C)F 240690a_100020591266_100000062450 [0,2,0,0,0,0|2,0,0]=4 5726 B11R0.109 CCC(C)CCNC(=O)C(C)F 527a_100020591266_100000062450 [0,2,0,0,0,0|2,0,0]=4 5727 B11R0.109 CCC(C)CCNC(=O)C(O)O 240690a_100020591266_100000233687 [0,2,0,0,0,0|2,0,0]=4 5728 B11R0.109 CCC(C)CCNC(=O)[C@@H](C)O 240690a_100020591266_100000717761 [0,2,0,0,0,0|1,0,0]=3 5729 B11R0.109 CCC(C)CCNC(=O)[C@H](C)O 1626a_100020591266_217856618621 [0,2,0,0,0,0|1,0,0]=3 5730 B11R0.109 CCC(C)CCNC(=O)[C@H](C)O 240690a_100020591266_217856618621 [0,2,0,0,0,0|1,0,0]=3 5731 B11R0.109 CCC(C)CNCC(=O)C(C)C 2230a_100020588543_100000753385 [0,2,0,0,0,0|2,0,0]=4 5732 B11R0.109 CCC(C)CSCC(=O)C(C)C 62a_100000748023_100000753385 [0,2,0,0,0,0|1,1,0]=4 5733 B11R0.109 CCC(C)CSCC(=O)C(C)C 62a_100000753385_100000748023 [0,2,0,0,0,0|1,1,0]=4 5734 B11R0.109 CCC(C)SCOC(=O)C(C)C 62a_100000139345_100000758301 [0,2,0,0,0,0|1,0,0]=3 5735 B11R0.109 CCC(C)SCOC(=O)C(C)C 62a_100000758301_100000139345 [0,2,0,0,0,0|1,0,0]=3 5736 B11R0.109 CCC(O)CNCC(=O)C(C)C 2230a_100011218483_100000753385 [0,2,0,0,0,0|2,0,0]=4 5737 B11R0.109 CCC(O)CNN=C(C)C(C)O 4a_100015206393_100000212229 [0,2,0,0,0,0|2,0,0]=4 5738 B11R0.109 CCC(O)CNNC(=O)C(C)C 22a_100015206393_100000210198 [0,2,0,0,0,0|2,0,0]=4 5739 B11R0.109 CCC(O)CNNC(=O)C(C)F 22a_100015206393_100000062450 [0,2,0,0,0,0|2,0,0]=4 5740 B11R0.109 CCC(O)CNNC(=O)C(O)O 22a_100015206393_100000233687 [0,2,0,0,0,0|2,0,0]=4 5741 B11R0.109 CCC(O)CNNC(=O)[C@@H](C)O 22a_100015206393_100000717761 [0,2,0,0,0,0|1,0,0]=3 5742 B11R0.109 CCC(O)CNNC(=O)[C@H](C)O 22a_100015206393_217856618621 [0,2,0,0,0,0|1,0,0]=3 5743 B11R0.109 CCC(O)CSCC(=O)C(C)C 62a_100000753385_100011218378 [0,2,0,0,0,0|1,1,0]=4 5744 B11R0.109 CCC(O)CSCC(=O)C(C)C 62a_100011218378_100000753385 [0,2,0,0,0,0|1,1,0]=4 5745 B11R0.109 CCN(C)CCCC(=O)C(C)C 1458a_100000210198_100015186262 [0,2,0,0,0,0|2,0,0]=4 5746 B11R0.109 CCN(C)CCCC(=O)C(C)F 1458a_100000062450_100015186262 [0,2,0,0,0,0|2,0,0]=4 5747 B11R0.109 CCN(C)CCCC(=O)C(O)O 1458a_100000233687_100015186262 [0,2,0,0,0,0|2,0,0]=4 5748 B11R0.109 CCN(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100015186262 [0,2,0,0,0,0|1,0,0]=3 5749 B11R0.109 CCN(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100015186262 [0,2,0,0,0,0|1,0,0]=3 5750 B11R0.109 CC[C@H](C)COCC(=O)C(C)C 7a_100009816381_100000753385 [0,2,0,0,0,0|1,0,0]=3 5751 B11R0.109 CC[C@H](C)COCC(=O)N(C)C 7a_100009816381_100000692301 [0,2,0,0,0,0|2,0,0]=4 5752 B11R0.109 CC[C@H](C)CSCC(=O)C(C)C 62a_100000753385_100009816398 [0,2,0,0,0,0|1,1,0]=4 5753 B11R0.109 CC[C@H](C)CSCC(=O)C(C)C 62a_100009816398_100000753385 [0,2,0,0,0,0|1,1,0]=4 5754 B11R0.109 CNC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100000741757 [0,2,0,0,0,0|1,0,1]=4 5755 B11R0.109 CNC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100000741757 [0,2,0,0,0,0|1,0,1]=4 5756 B11R0.109 CNC(=O)CCNC(=O)[C@@H](C)O 240690a_100000738227_100000717761 [0,2,0,0,0,0|1,0,1]=4 5757 B11R0.109 CNC(=O)CCNC(=O)[C@H](C)O 240690a_100000738227_217856618621 [0,2,0,0,0,0|1,0,1]=4 5758 B11R0.109 COC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011218270 [0,2,0,0,0,0|1,0,1]=4 5759 B11R0.109 COC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011218270 [0,2,0,0,0,0|1,0,1]=4 5760 B11R0.109 COC(=O)CCNC(=O)[C@@H](C)O 188690a_100000683876_100000717761 [0,2,0,0,0,0|1,0,1]=4 5761 B11R0.109 COC(=O)CCNC(=O)[C@H](C)O 188690a_100000683876_217856618621 [0,2,0,0,0,0|1,0,1]=4 5762 B11R0.109 COC(C)COCC(=O)C(C)C 34a_100000690652_100000753385 [0,2,0,0,0,0|2,0,0]=4 5763 B11R0.109 COC(C)SCOC(=O)C(C)C 62a_100000139345_100009879195 [0,2,0,0,0,0|2,0,0]=4 5764 B11R0.109 COC(C)SCOC(=O)C(C)C 62a_100009879195_100000139345 [0,2,0,0,0,0|2,0,0]=4 5765 B11R0.141 C=C(C)C(=O)OCC(C)OCC 7a_100000061822_100000210202 [0,2,0,0,0,0|1,0,1]=4 5766 B11R0.141 C=C(C)C(=O)OCC(O)CNC 34a_100102657272_100000037624 [0,2,0,0,0,0|1,0,1]=4 5767 B11R0.141 C=C(C)C(=O)OCC(O)CNC 7a_106832991635_100000037624 [0,2,0,0,0,0|1,0,1]=4 5768 B11R0.141 C=C(C)C(=O)OCC(O)COC 34a_100138415774_100000037624 [0,2,0,0,0,0|1,0,1]=4 5769 B11R0.141 C=C(C)C(=O)OCC(O)CSC 62a_100000037624_200000210301 [0,2,0,0,0,0|1,0,1]=4 5770 B11R0.141 C=C(C)C(=O)OCC(O)CSC 62a_200000210301_100000037624 [0,2,0,0,0,0|1,0,1]=4 5771 B11R0.141 C=C(C)C(=O)OCC(O)CS[13CH3] 62a_100000037624_200025704644 [0,2,0,0,0,0|1,0,1]=4 5772 B11R0.141 C=C(C)C(=O)OCC(O)CS[13CH3] 62a_200025704644_100000037624 [0,2,0,0,0,0|1,0,1]=4 5773 B11R0.141 CC(C)C(=O)OCC(=O)CCO 1458a_100011216618_100000139345 [0,2,0,0,0,0|1,0,1]=4 5774 B11R0.141 CC(CCBr)OCC(=O)C(C)C 34a_100012276601_100000753385 [0,2,0,0,0,0|2,0,0]=4 5775 B11R0.141 CCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210303 [0,2,0,0,0,0|2,0,0]=4 5776 B11R0.141 CCCC(=O)COC(=O)C(C)C 1458a_100000211992_100000139345 [0,2,0,0,0,0|1,0,0]=3 5777 B11R0.141 CCCC(=O)NNC(=O)[C@@H](C)O 22a_100000189770_100000717761 [0,2,0,0,0,0|1,0,1]=4 5778 B11R0.141 CCCC(=O)NNC(=O)[C@H](C)O 22a_100000189770_217856618621 [0,2,0,0,0,0|1,0,1]=4 5779 B11R0.141 CCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100000034017 [0,2,0,0,0,0|1,0,1]=4 5780 B11R0.141 CCCC(=O)OCC(=O)C(C)F 1458a_100000062450_100000034017 [0,2,0,0,0,0|1,0,1]=4 5781 B11R0.141 CCCC(=O)OCC(=O)C(O)O 1458a_100000233687_100000034017 [0,2,0,0,0,0|1,0,1]=4 5782 B11R0.141 CCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100000034017 [0,2,0,0,0,0|0,0,1]=3 5783 B11R0.141 CCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100000034017 [0,2,0,0,0,0|0,0,1]=3 5784 B11R0.141 CCCC(C)NCC(=O)C(C)C 2230a_100000741246_100000753385 [0,2,0,0,0,0|2,0,0]=4 5785 B11R0.141 CCCC(C)OCC(=O)C(=O)C 34a_100000764384_100011261029 [0,2,0,0,0,0|0,0,2]=4 5786 B11R0.141 CCCC(C)OCC(=O)C(C)C 34a_100000764384_100000753385 [0,2,0,0,0,0|1,0,0]=3 5787 B11R0.141 CCCC(C)OCC(=O)C(C)C 7a_100000764384_100000753385 [0,2,0,0,0,0|1,0,0]=3 5788 B11R0.141 CCCC(C)OCC(=O)N(C)C 34a_100000764384_100000692301 [0,2,0,0,0,0|2,0,0]=4 5789 B11R0.141 CCCC(C)OCC(=O)N(C)C 7a_100000764384_100000692301 [0,2,0,0,0,0|2,0,0]=4 5790 B11R0.141 CCCC(C)SCC(=O)C(C)C 62a_100000753385_100000766640 [0,2,0,0,0,0|1,1,0]=4 5791 B11R0.141 CCCC(C)SCC(=O)C(C)C 62a_100000766640_100000753385 [0,2,0,0,0,0|1,1,0]=4 5792 B11R0.141 CCNC(=O)CNC(=O)[C@@H](C)O 240690a_100016988866_100000717761 [0,2,0,0,0,0|1,0,1]=4 5793 B11R0.141 CCNC(=O)CNC(=O)[C@H](C)O 1626a_100016988866_217856618621 [0,2,0,0,0,0|1,0,1]=4 5794 B11R0.141 CCNC(=O)CNC(=O)[C@H](C)O 240690a_100016988866_217856618621 [0,2,0,0,0,0|1,0,1]=4 5795 B11R0.141 CCOC(=O)CNC(=O)[C@@H](C)O 188690a_100000741813_100000717761 [0,2,0,0,0,0|1,0,1]=4 5796 B11R0.141 CCOC(=O)CNC(=O)[C@H](C)O 188690a_100000741813_217856618621 [0,2,0,0,0,0|1,0,1]=4 5797 B11R0.141 COCC(=O)COC(=O)C(C)C 1458a_100000210968_100000139345 [0,2,0,0,0,0|1,0,1]=4 5798 B11R0.141 COCC(O)CNC(=O)C(C)C 240690a_100000756049_100000210198 [0,2,0,0,0,0|2,0,0]=4 5799 B11R0.141 COCC(O)CNC(=O)C(C)C 527a_100000756049_100000210198 [0,2,0,0,0,0|2,0,0]=4 5800 B11R0.141 COCC(O)CNC(=O)C(C)F 240690a_100000756049_100000062450 [0,2,0,0,0,0|2,0,0]=4 5801 B11R0.141 COCC(O)CNC(=O)C(C)F 527a_100000756049_100000062450 [0,2,0,0,0,0|2,0,0]=4 5802 B11R0.141 COCC(O)CNC(=O)C(O)O 240690a_100000756049_100000233687 [0,2,0,0,0,0|2,0,0]=4 5803 B11R0.141 COCC(O)CNC(=O)[C@@H](C)O 240690a_100000756049_100000717761 [0,2,0,0,0,0|1,0,0]=3 5804 B11R0.141 COCC(O)CNC(=O)[C@H](C)O 240690a_100000756049_217856618621 [0,2,0,0,0,0|1,0,0]=3 5805 B11R0.141 COC[C@@H](C)OCC(=O)C(C)C 34a_100011934205_100000753385 [0,2,0,0,0,0|2,0,0]=4 5806 B11R0.141 CSCC(=O)COC(=O)C(C)C 1458a_100000184570_100000139345 [0,2,0,0,0,0|1,0,1]=4 5807 B11R0.142 C#CC(C)C(=O)C=CCCCC 1458a_100016266645_200000035995 [0,2,0,0,0,0|2,0,0]=4 5808 B11R0.142 C#CC(C)C(=O)CCCCCC 1458a_100102632555_200000035995 [0,2,0,0,0,0|2,0,0]=4 5809 B11R0.142 C#CC(C)C(=O)CCCCCO 1458a_100102619762_200000035995 [0,2,0,0,0,0|2,0,0]=4 5810 B11R0.142 C#CC(C)C(=O)COCCCC 1458a_100000757543_200000035995 [0,2,0,0,0,0|1,0,0]=3 5811 B11R0.142 C#CC(C)C(=O)COCCOC 1458a_100000211095_200000035995 [0,2,0,0,0,0|2,0,0]=4 5812 B11R0.142 C#CC(C)C(=O)CSCCCC 1458a_100000191162_200000035995 [0,2,0,0,0,0|1,1,0]=4 5813 B11R0.142 C#CCCCCC(=O)C(C)OC 1458a_100000743197_100010269958 [0,2,0,0,0,0|1,0,1]=4 5814 B11R0.142 C#CCCCCC(=O)C(O)CC 1458a_100011196387_100010269958 [0,2,0,0,0,0|1,0,1]=4 5815 B11R0.142 C#CCCCCC(=O)C(O)CO 1458a_100011215603_100010269958 [0,2,0,0,0,0|1,0,1]=4 5816 B11R0.142 C#CCCCNC(=O)C(C)OC 11a_100000718082_100000743197 [0,2,0,0,0,0|1,0,1]=4 5817 B11R0.142 C#CCCCNC(=O)C(C)OC 1626a_100000718082_100000743197 [0,2,0,0,0,0|1,0,1]=4 5818 B11R0.142 C#CCCCNC(=O)C(C)OC 240690a_100000718082_100000743197 [0,2,0,0,0,0|1,0,1]=4 5819 B11R0.142 C#CCCCNC(=O)C(C)OC 527a_100000718082_100000743197 [0,2,0,0,0,0|1,0,1]=4 5820 B11R0.142 C#CCCCNC(=O)C(O)CC 240690a_100000718082_100011196387 [0,2,0,0,0,0|1,0,1]=4 5821 B11R0.142 C#CCCCNC(=O)C(O)CO 240690a_100000718082_100011215603 [0,2,0,0,0,0|1,0,1]=4 5822 B11R0.142 C/C=C(\C)/C(=O)COCCCC 1458a_100020587367_100011995733 [0,2,0,0,0,0|1,0,1]=4 5823 B11R0.142 C=CC(C)C(=O)CCCCCC 1458a_100011216780_100000210757 [0,2,0,0,0,0|2,0,0]=4 5824 B11R0.142 C=CC(C)C(=O)CCCCCF 1458a_100011216780_100000729378 [0,2,0,0,0,0|2,0,0]=4 5825 B11R0.142 C=CC(C)C(=O)CCCCCO 1458a_100011216780_100000746330 [0,2,0,0,0,0|2,0,0]=4 5826 B11R0.142 C=CC(C)C(=O)CCCCOC 1458a_100011216780_100000755781 [0,2,0,0,0,0|2,0,0]=4 5827 B11R0.142 C=CC(C)C(=O)CCCOCC 1458a_100011216780_100012232248 [0,2,0,0,0,0|2,0,0]=4 5828 B11R0.142 C=CC(C)C(=O)CCOCCC 1458a_100011216780_100011215938 [0,2,0,0,0,0|2,0,0]=4 5829 B11R0.142 C=CC(C)C(=O)COCCCC 1458a_100011216780_100011995733 [0,2,0,0,0,0|1,0,0]=3 5830 B11R0.142 C=CC(C)C(=O)NCCCCC 11a_100000209983_100011216780 [0,2,0,0,0,0|2,0,0]=4 5831 B11R0.142 C=CC(C)C(=O)NCCCCC 1626a_100000209983_100011216780 [0,2,0,0,0,0|2,0,0]=4 5832 B11R0.142 C=CC(C)C(=O)NCCCCC 240690a_100000209983_100011216780 [0,2,0,0,0,0|2,0,0]=4 5833 B11R0.142 C=CC(C)C(=O)NCCCCC 527a_100000209983_100011216780 [0,2,0,0,0,0|2,0,0]=4 5834 B11R0.142 C=CC(C)C(=O)NCCCCO 240690a_100000750430_100011216780 [0,2,0,0,0,0|2,0,0]=4 5835 B11R0.142 C=CC(C)C(=O)NCCCCO 527a_100000750430_100011216780 [0,2,0,0,0,0|2,0,0]=4 5836 B11R0.142 C=CC(C)C(=O)NCCCOC 1626a_100150723488_100011216780 [0,2,0,0,0,0|2,0,0]=4 5837 B11R0.142 C=CC(C)C(=O)NCCCOC 240690a_100150723488_100011216780 [0,2,0,0,0,0|2,0,0]=4 5838 B11R0.142 C=CC(C)C(=O)NCCCOC 527a_100150723488_100011216780 [0,2,0,0,0,0|2,0,0]=4 5839 B11R0.142 C=CC(C)C(=O)NCCCSC 11a_100000749238_100011216780 [0,2,0,0,0,0|2,0,0]=4 5840 B11R0.142 C=CC(C)C(=O)NCCCSC 1626a_100000749238_100011216780 [0,2,0,0,0,0|2,0,0]=4 5841 B11R0.142 C=CC(C)C(=O)NCCCSC 240690a_100000749238_100011216780 [0,2,0,0,0,0|2,0,0]=4 5842 B11R0.142 C=CC(C)C(=O)NCCCSC 527a_100000749238_100011216780 [0,2,0,0,0,0|2,0,0]=4 5843 B11R0.142 C=CC(C)C(=O)NCCOCC 11a_100011200944_100011216780 [0,2,0,0,0,0|2,0,0]=4 5844 B11R0.142 C=CC(C)C(=O)NCCOCC 1626a_102516460346_100011216780 [0,2,0,0,0,0|2,0,0]=4 5845 B11R0.142 C=CC(C)C(=O)NCCOCC 240690a_100011200944_100011216780 [0,2,0,0,0,0|2,0,0]=4 5846 B11R0.142 C=CC(C)C(=O)NCCOCC 527a_100011200944_100011216780 [0,2,0,0,0,0|2,0,0]=4 5847 B11R0.142 C=CC(C)C(=O)NCCSCC 11a_100000106463_100011216780 [0,2,0,0,0,0|2,0,0]=4 5848 B11R0.142 C=CC(C)C(=O)NCCSCC 1626a_100000106463_100011216780 [0,2,0,0,0,0|2,0,0]=4 5849 B11R0.142 C=CC(C)C(=O)NCCSCC 240690a_100000106463_100011216780 [0,2,0,0,0,0|2,0,0]=4 5850 B11R0.142 C=CC(C)C(=O)NCCSCC 527a_100000106463_100011216780 [0,2,0,0,0,0|2,0,0]=4 5851 B11R0.142 C=CC(C)C(=O)NNCCCC 22a_100025702795_100011216780 [0,2,0,0,0,0|2,0,0]=4 5852 B11R0.142 C=CCCCCC(=O)C(C)OC 1458a_100000743197_100011215482 [0,2,0,0,0,0|1,0,1]=4 5853 B11R0.142 C=CCCCCC(=O)C(O)CC 1458a_100011196387_100011215482 [0,2,0,0,0,0|1,0,1]=4 5854 B11R0.142 C=CCCCCC(=O)C(O)CO 1458a_100011215603_100011215482 [0,2,0,0,0,0|1,0,1]=4 5855 B11R0.142 C=CCCCNC(=O)C(C)OC 11a_100000700776_100000743197 [0,2,0,0,0,0|1,0,1]=4 5856 B11R0.142 C=CCCCNC(=O)C(C)OC 1626a_100000700776_100000743197 [0,2,0,0,0,0|1,0,1]=4 5857 B11R0.142 C=CCCCNC(=O)C(C)OC 240690a_100000700776_100000743197 [0,2,0,0,0,0|1,0,1]=4 5858 B11R0.142 C=CCCCNC(=O)C(C)OC 527a_100000700776_100000743197 [0,2,0,0,0,0|1,0,1]=4 5859 B11R0.142 C=CCCCNC(=O)C(O)CC 240690a_100000700776_100011196387 [0,2,0,0,0,0|1,0,1]=4 5860 B11R0.142 C=CCCCNC(=O)C(O)CO 240690a_100000700776_100011215603 [0,2,0,0,0,0|1,0,1]=4 5861 B11R0.142 CC(C#N)C(=O)CCCCCF 1458a_100000753662_100000729378 [0,2,0,0,0,0|2,0,0]=4 5862 B11R0.142 CC(C#N)C(=O)CCCCCO 1458a_100000753662_100000746330 [0,2,0,0,0,0|2,0,0]=4 5863 B11R0.142 CC(C#N)C(=O)CCCCCO 1458a_100102619762_100000703298 [0,2,0,0,0,0|2,0,0]=4 5864 B11R0.142 CC(C#N)C(=O)NCCCCO 240690a_100000750430_100000753662 [0,2,0,0,0,0|2,0,0]=4 5865 B11R0.142 CC(C#N)C(=O)NCCCCO 527a_100000750430_100000753662 [0,2,0,0,0,0|2,0,0]=4 5866 B11R0.142 CC/C=C\CCC(=O)C(C)OC 1458a_100000743197_100015370543 [0,2,0,0,0,0|1,0,1]=4 5867 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [0,2,0,0,0,0|1,0,1]=4 5868 B11R0.142 CC/C=C\CCC(=O)C(O)CO 1458a_100011215603_100015370543 [0,2,0,0,0,0|1,0,1]=4 5869 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [0,2,0,0,0,0|2,0,0]=4 5870 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [0,2,0,0,0,0|2,0,0]=4 5871 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [0,2,0,0,0,0|2,0,0]=4 5872 B11R0.142 CCC(C)C(=O)CCCCOC 1458a_100011192722_100000755781 [0,2,0,0,0,0|2,0,0]=4 5873 B11R0.142 CCC(C)C(=O)COCCOC 1458a_100000211095_100000758301 [0,2,0,0,0,0|2,0,0]=4 5874 B11R0.142 CCC(C)C(=O)NCCCCO 240690a_100000750430_100011192722 [0,2,0,0,0,0|2,0,0]=4 5875 B11R0.142 CCC(C)C(=O)NCCCCO 527a_100000750430_100011192722 [0,2,0,0,0,0|2,0,0]=4 5876 B11R0.142 CCC(C)C(=O)NCCCOC 1626a_100150723488_100011192722 [0,2,0,0,0,0|2,0,0]=4 5877 B11R0.142 CCC(C)C(=O)NCCCOC 240690a_100150723488_100011192722 [0,2,0,0,0,0|2,0,0]=4 5878 B11R0.142 CCC(C)C(=O)NCCCOC 527a_100150723488_100011192722 [0,2,0,0,0,0|2,0,0]=4 5879 B11R0.142 CCC(C)C(=O)NCCCSC 11a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 5880 B11R0.142 CCC(C)C(=O)NCCCSC 1626a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 5881 B11R0.142 CCC(C)C(=O)NCCCSC 240690a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 5882 B11R0.142 CCC(C)C(=O)NCCCSC 527a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 5883 B11R0.142 CCC(O)C(=O)CCCCC#N 1458a_100011196387_100000211819 [0,2,0,0,0,0|1,0,1]=4 5884 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,2,0,0,0,0|1,0,0]=3 5885 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,2,0,0,0,0|1,0,0]=3 5886 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [0,2,0,0,0,0|1,0,0]=3 5887 B11R0.142 CCC(O)C(=O)CCOCCO 1458a_100011196387_100011215305 [0,2,0,0,0,0|2,0,0]=4 5888 B11R0.142 CCC(O)C(=O)NCCCCO 240690a_100000750430_100011196387 [0,2,0,0,0,0|1,0,0]=3 5889 B11R0.142 CCC(O)C(=O)NCCCOC 240690a_100150723488_100011196387 [0,2,0,0,0,0|1,0,0]=3 5890 B11R0.142 CCC(O)C(=O)NCCCSC 240690a_100000749238_100011196387 [0,2,0,0,0,0|1,0,0]=3 5891 B11R0.142 CCC(O)C(=O)NNCCOC 22a_100000741390_100011196387 [0,2,0,0,0,0|2,0,0]=4 5892 B11R0.142 CCCC=NNC(=O)C(C)OC 4a_100000243824_100000185831 [0,2,0,0,0,0|1,0,1]=4 5893 B11R0.142 CCCCC=CC(=O)C(C)C#N 1458a_100016266645_100000703298 [0,2,0,0,0,0|2,0,0]=4 5894 B11R0.142 CCCCC=CC(=O)C(C)CC 1458a_100016266645_100000758301 [0,2,0,0,0,0|2,0,0]=4 5895 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210757 [0,2,0,0,0,0|2,0,0]=4 5896 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100102632555_100000703298 [0,2,0,0,0,0|2,0,0]=4 5897 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,2,0,0,0,0|2,0,0]=4 5898 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,2,0,0,0,0|2,0,0]=4 5899 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,2,0,0,0,0|1,0,0]=3 5900 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [0,2,0,0,0,0|1,1,0]=4 5901 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,2,0,0,0,0|1,0,0]=3 5902 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,2,0,0,0,0|1,0,0]=3 5903 B11R0.142 CCCCCNC(=O)C(C)C#N 11a_100000209983_100000753662 [0,2,0,0,0,0|2,0,0]=4 5904 B11R0.142 CCCCCNC(=O)C(C)C#N 1626a_100000209983_100000753662 [0,2,0,0,0,0|2,0,0]=4 5905 B11R0.142 CCCCCNC(=O)C(C)C#N 240690a_100000209983_100000753662 [0,2,0,0,0,0|2,0,0]=4 5906 B11R0.142 CCCCCNC(=O)C(C)C#N 527a_100000209983_100000753662 [0,2,0,0,0,0|2,0,0]=4 5907 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [0,2,0,0,0,0|2,0,0]=4 5908 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [0,2,0,0,0,0|2,0,0]=4 5909 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [0,2,0,0,0,0|2,0,0]=4 5910 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [0,2,0,0,0,0|2,0,0]=4 5911 B11R0.142 CCCCCNC(=O)C(C)NC 2230a_106832991635_100000735910 [0,2,0,0,0,0|2,0,0]=4 5912 B11R0.142 CCCCCNC(=O)C(C)NC 7a_106832991635_100000735910 [0,2,0,0,0,0|2,0,0]=4 5913 B11R0.142 CCCCCNC(=O)C(C)OC 11a_100000209983_100000743197 [0,2,0,0,0,0|1,0,0]=3 5914 B11R0.142 CCCCCNC(=O)C(C)OC 1626a_100000209983_100000743197 [0,2,0,0,0,0|1,0,0]=3 5915 B11R0.142 CCCCCNC(=O)C(C)OC 240690a_100000209983_100000743197 [0,2,0,0,0,0|1,0,0]=3 5916 B11R0.142 CCCCCNC(=O)C(C)OC 527a_100000209983_100000743197 [0,2,0,0,0,0|1,0,0]=3 5917 B11R0.142 CCCCCNC(=O)C(C)SC 11a_100000209983_100000149566 [0,2,0,0,0,0|1,1,0]=4 5918 B11R0.142 CCCCCNC(=O)C(C)SC 1626a_100000209983_100000149566 [0,2,0,0,0,0|1,1,0]=4 5919 B11R0.142 CCCCCNC(=O)C(C)SC 240690a_100000209983_100000149566 [0,2,0,0,0,0|1,1,0]=4 5920 B11R0.142 CCCCCNC(=O)C(C)SC 527a_100000209983_100000149566 [0,2,0,0,0,0|1,1,0]=4 5921 B11R0.142 CCCCCNC(=O)C(C)SC 62a_100000735910_200000210301 [0,2,0,0,0,0|1,1,0]=4 5922 B11R0.142 CCCCCNC(=O)C(C)SC 62a_200000210301_100000735910 [0,2,0,0,0,0|1,1,0]=4 5923 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_100000735910_200025704644 [0,2,0,0,0,0|1,1,0]=4 5924 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735910 [0,2,0,0,0,0|1,1,0]=4 5925 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,2,0,0,0,0|1,0,0]=3 5926 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,2,0,0,0,0|1,0,0]=3 5927 B11R0.142 CCCCNCC(=O)N(C)OC 2230a_100000102301_100000764215 [0,2,0,0,0,0|2,0,0]=4 5928 B11R0.142 CCCCNCC(=O)N(C)OC 2230a_100015207273_100000210211 [0,2,0,0,0,0|2,0,0]=4 5929 B11R0.142 CCCCNCC(=O)N(C)OC 7a_106832991798_100000764215 [0,2,0,0,0,0|2,0,0]=4 5930 B11R0.142 CCCCNN=C(C)C(C)CO 4a_100025702795_100000032740 [0,2,0,0,0,0|2,0,0]=4 5931 B11R0.142 CCCCNNC(=O)C(C)C#N 22a_100025702795_100000753662 [0,2,0,0,0,0|2,0,0]=4 5932 B11R0.142 CCCCNNC(=O)C(C)CC 22a_100025702795_100011192722 [0,2,0,0,0,0|2,0,0]=4 5933 B11R0.142 CCCCNNC(=O)C(C)OC 22a_100025702795_100000743197 [0,2,0,0,0,0|1,0,0]=3 5934 B11R0.142 CCCCNNC(=O)C(C)SC 22a_100025702795_100000149566 [0,2,0,0,0,0|1,1,0]=4 5935 B11R0.142 CCCCNNC(=O)C(O)CC 22a_100025702795_100011196387 [0,2,0,0,0,0|1,0,0]=3 5936 B11R0.142 CCCCNNC(=O)C(O)CO 22a_100025702795_100011215603 [0,2,0,0,0,0|1,0,0]=3 5937 B11R0.142 CCCCOCC(=O)C(=O)NC 1458a_100011218921_100011995733 [0,2,0,0,0,0|0,0,2]=4 5938 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,2,0,0,0,0|0,0,2]=4 5939 B11R0.142 CCCCOCC(=O)C(C)C#N 1458a_100000753662_100011995733 [0,2,0,0,0,0|1,0,0]=3 5940 B11R0.142 CCCCOCC(=O)C(C)C#N 1458a_100000757543_100000703298 [0,2,0,0,0,0|1,0,0]=3 5941 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100000757543_100000758301 [0,2,0,0,0,0|1,0,0]=3 5942 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100011192722_100011995733 [0,2,0,0,0,0|1,0,0]=3 5943 B11R0.142 CCCCOCC(=O)C(C)OC 1458a_100000743197_100011995733 [0,2,0,0,0,0|0,0,0]=2 5944 B11R0.142 CCCCOCC(=O)C(C)SC 1458a_100000149566_100011995733 [0,2,0,0,0,0|0,1,0]=3 5945 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,2,0,0,0,0|0,0,0]=2 5946 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,2,0,0,0,0|0,0,0]=2 5947 B11R0.142 CCCCOCC(=O)N(C)CC 11a_100000225621_100000757543 [0,2,0,0,0,0|2,0,0]=4 5948 B11R0.142 CCCCOCC(=O)N(C)CC 1626a_100000225621_100000757543 [0,2,0,0,0,0|2,0,0]=4 5949 B11R0.142 CCCCOCC(=O)N(C)CC 240690a_100000225621_100000757543 [0,2,0,0,0,0|2,0,0]=4 5950 B11R0.142 CCCCOCC(=O)N(C)CC 34a_100000210227_100000738999 [0,2,0,0,0,0|2,0,0]=4 5951 B11R0.142 CCCCOCC(=O)N(C)CC 527a_100000225621_100000757543 [0,2,0,0,0,0|2,0,0]=4 5952 B11R0.142 CCCCOCC(=O)N(C)CC 7a_100000210227_100000738999 [0,2,0,0,0,0|2,0,0]=4 5953 B11R0.142 CCCCOCC(=O)N(C)OC 7a_100000210227_100000764215 [0,2,0,0,0,0|1,0,0]=3 5954 B11R0.142 CCCCOCN(C)C(C)CO 2230a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 5955 B11R0.142 CCCCOCN(C)C(C)CO 269982a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 5956 B11R0.142 CCCCSCC(=O)C(C)C#N 1458a_100000191162_100000703298 [0,2,0,0,0,0|1,1,0]=4 5957 B11R0.142 CCCCSCC(=O)C(C)CC 1458a_100000191162_100000758301 [0,2,0,0,0,0|1,1,0]=4 5958 B11R0.142 CCCCSCC(=O)N(C)OC 62a_100000210211_100000764215 [0,2,0,0,0,0|1,1,0]=4 5959 B11R0.142 CCCCSCC(=O)N(C)OC 62a_100000764215_100000210210 [0,2,0,0,0,0|1,1,0]=4 5960 B11R0.142 CCCOCCC(=O)C(C)C#N 1458a_100000753662_100011215938 [0,2,0,0,0,0|2,0,0]=4 5961 B11R0.142 CCCOCCC(=O)C(C)CC 1458a_100011192722_100011215938 [0,2,0,0,0,0|2,0,0]=4 5962 B11R0.142 CCCOCCC(=O)C(C)OC 1458a_100000743197_100011215938 [0,2,0,0,0,0|1,0,0]=3 5963 B11R0.142 CCCOCCC(=O)C(C)SC 1458a_100000149566_100011215938 [0,2,0,0,0,0|1,1,0]=4 5964 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [0,2,0,0,0,0|1,0,0]=3 5965 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,2,0,0,0,0|1,0,0]=3 5966 B11R0.142 CCOCCCC(=O)C(C)C#N 1458a_100000753662_100012232248 [0,2,0,0,0,0|2,0,0]=4 5967 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [0,2,0,0,0,0|2,0,0]=4 5968 B11R0.142 CCOCCCC(=O)C(C)OC 1458a_100000743197_100012232248 [0,2,0,0,0,0|1,0,0]=3 5969 B11R0.142 CCOCCCC(=O)C(C)SC 1458a_100000149566_100012232248 [0,2,0,0,0,0|1,1,0]=4 5970 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [0,2,0,0,0,0|1,0,0]=3 5971 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,2,0,0,0,0|1,0,0]=3 5972 B11R0.142 CCOCCNC(=O)C(C)C#N 11a_100011200944_100000753662 [0,2,0,0,0,0|2,0,0]=4 5973 B11R0.142 CCOCCNC(=O)C(C)C#N 1626a_102516460346_100000753662 [0,2,0,0,0,0|2,0,0]=4 5974 B11R0.142 CCOCCNC(=O)C(C)C#N 240690a_100011200944_100000753662 [0,2,0,0,0,0|2,0,0]=4 5975 B11R0.142 CCOCCNC(=O)C(C)C#N 527a_100011200944_100000753662 [0,2,0,0,0,0|2,0,0]=4 5976 B11R0.142 CCOCCNC(=O)C(C)CC 11a_100011200944_100011192722 [0,2,0,0,0,0|2,0,0]=4 5977 B11R0.142 CCOCCNC(=O)C(C)CC 1626a_102516460346_100011192722 [0,2,0,0,0,0|2,0,0]=4 5978 B11R0.142 CCOCCNC(=O)C(C)CC 240690a_100011200944_100011192722 [0,2,0,0,0,0|2,0,0]=4 5979 B11R0.142 CCOCCNC(=O)C(C)CC 527a_100011200944_100011192722 [0,2,0,0,0,0|2,0,0]=4 5980 B11R0.142 CCOCCNC(=O)C(C)OC 11a_100011200944_100000743197 [0,2,0,0,0,0|1,0,0]=3 5981 B11R0.142 CCOCCNC(=O)C(C)OC 1626a_102516460346_100000743197 [0,2,0,0,0,0|1,0,0]=3 5982 B11R0.142 CCOCCNC(=O)C(C)OC 240690a_100011200944_100000743197 [0,2,0,0,0,0|1,0,0]=3 5983 B11R0.142 CCOCCNC(=O)C(C)OC 527a_100011200944_100000743197 [0,2,0,0,0,0|1,0,0]=3 5984 B11R0.142 CCOCCNC(=O)C(C)SC 11a_100011200944_100000149566 [0,2,0,0,0,0|1,1,0]=4 5985 B11R0.142 CCOCCNC(=O)C(C)SC 1626a_102516460346_100000149566 [0,2,0,0,0,0|1,1,0]=4 5986 B11R0.142 CCOCCNC(=O)C(C)SC 240690a_100011200944_100000149566 [0,2,0,0,0,0|1,1,0]=4 5987 B11R0.142 CCOCCNC(=O)C(C)SC 527a_100011200944_100000149566 [0,2,0,0,0,0|1,1,0]=4 5988 B11R0.142 CCOCCNC(=O)C(O)CC 240690a_100011200944_100011196387 [0,2,0,0,0,0|1,0,0]=3 5989 B11R0.142 CCOCCNC(=O)C(O)CO 240690a_100011200944_100011215603 [0,2,0,0,0,0|1,0,0]=3 5990 B11R0.142 CCSCCCC(=O)N(C)OC 62a_100000210202_100011842776 [0,2,0,0,0,0|2,0,0]=4 5991 B11R0.142 CCSCCCC(=O)N(C)OC 62a_100011842776_100000210202 [0,2,0,0,0,0|2,0,0]=4 5992 B11R0.142 CCSCCNC(=O)C(C)C#N 11a_100000106463_100000753662 [0,2,0,0,0,0|2,0,0]=4 5993 B11R0.142 CCSCCNC(=O)C(C)C#N 1626a_100000106463_100000753662 [0,2,0,0,0,0|2,0,0]=4 5994 B11R0.142 CCSCCNC(=O)C(C)C#N 240690a_100000106463_100000753662 [0,2,0,0,0,0|2,0,0]=4 5995 B11R0.142 CCSCCNC(=O)C(C)C#N 527a_100000106463_100000753662 [0,2,0,0,0,0|2,0,0]=4 5996 B11R0.142 CCSCCNC(=O)C(C)CC 11a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 5997 B11R0.142 CCSCCNC(=O)C(C)CC 1626a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 5998 B11R0.142 CCSCCNC(=O)C(C)CC 240690a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 5999 B11R0.142 CCSCCNC(=O)C(C)CC 527a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 6000 B11R0.142 CCSCCNC(=O)C(C)OC 11a_100000106463_100000743197 [0,2,0,0,0,0|1,0,0]=3 6001 B11R0.142 CCSCCNC(=O)C(C)OC 1626a_100000106463_100000743197 [0,2,0,0,0,0|1,0,0]=3 6002 B11R0.142 CCSCCNC(=O)C(C)OC 240690a_100000106463_100000743197 [0,2,0,0,0,0|1,0,0]=3 6003 B11R0.142 CCSCCNC(=O)C(C)OC 527a_100000106463_100000743197 [0,2,0,0,0,0|1,0,0]=3 6004 B11R0.142 CCSCCNC(=O)C(C)SC 11a_100000106463_100000149566 [0,2,0,0,0,0|1,1,0]=4 6005 B11R0.142 CCSCCNC(=O)C(C)SC 1626a_100000106463_100000149566 [0,2,0,0,0,0|1,1,0]=4 6006 B11R0.142 CCSCCNC(=O)C(C)SC 240690a_100000106463_100000149566 [0,2,0,0,0,0|1,1,0]=4 6007 B11R0.142 CCSCCNC(=O)C(C)SC 527a_100000106463_100000149566 [0,2,0,0,0,0|1,1,0]=4 6008 B11R0.142 CCSCCNC(=O)C(O)CC 240690a_100000106463_100011196387 [0,2,0,0,0,0|1,0,0]=3 6009 B11R0.142 CCSCCNC(=O)C(O)CO 240690a_100000106463_100011215603 [0,2,0,0,0,0|1,0,0]=3 6010 B11R0.142 CNC(C)C(=O)NCCCOC 2230a_106832991635_100000735919 [0,2,0,0,0,0|2,0,0]=4 6011 B11R0.142 CNC(C)C(=O)NCCCOC 7a_106832991635_100000735919 [0,2,0,0,0,0|2,0,0]=4 6012 B11R0.142 COC(C)C(=O)CCCCC#N 1458a_100000743197_100000211819 [0,2,0,0,0,0|1,0,1]=4 6013 B11R0.142 COC(C)C(=O)CCCCCF 1458a_100000743197_100000729378 [0,2,0,0,0,0|1,0,0]=3 6014 B11R0.142 COC(C)C(=O)CCCCCO 1458a_100000743197_100000746330 [0,2,0,0,0,0|1,0,0]=3 6015 B11R0.142 COC(C)C(=O)CCOCCO 1458a_100000743197_100011215305 [0,2,0,0,0,0|2,0,0]=4 6016 B11R0.142 COC(C)C(=O)NCCCCO 240690a_100000750430_100000743197 [0,2,0,0,0,0|1,0,0]=3 6017 B11R0.142 COC(C)C(=O)NCCCCO 527a_100000750430_100000743197 [0,2,0,0,0,0|1,0,0]=3 6018 B11R0.142 COC(C)C(=O)NCCCSC 11a_100000749238_100000743197 [0,2,0,0,0,0|1,0,0]=3 6019 B11R0.142 COC(C)C(=O)NCCCSC 1626a_100000749238_100000743197 [0,2,0,0,0,0|1,0,0]=3 6020 B11R0.142 COC(C)C(=O)NCCCSC 240690a_100000749238_100000743197 [0,2,0,0,0,0|1,0,0]=3 6021 B11R0.142 COC(C)C(=O)NCCCSC 527a_100000749238_100000743197 [0,2,0,0,0,0|1,0,0]=3 6022 B11R0.142 COCCCCC(=O)C(C)C#N 1458a_100000753662_100000755781 [0,2,0,0,0,0|2,0,0]=4 6023 B11R0.142 COCCCCC(=O)C(C)OC 1458a_100000743197_100000755781 [0,2,0,0,0,0|1,0,0]=3 6024 B11R0.142 COCCCCC(=O)C(C)SC 1458a_100000149566_100000755781 [0,2,0,0,0,0|1,1,0]=4 6025 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,2,0,0,0,0|1,0,0]=3 6026 B11R0.142 COCCCNC(=O)C(C)C#N 1626a_100150723488_100000753662 [0,2,0,0,0,0|2,0,0]=4 6027 B11R0.142 COCCCNC(=O)C(C)C#N 240690a_100150723488_100000753662 [0,2,0,0,0,0|2,0,0]=4 6028 B11R0.142 COCCCNC(=O)C(C)C#N 527a_100150723488_100000753662 [0,2,0,0,0,0|2,0,0]=4 6029 B11R0.142 COCCCNC(=O)C(C)OC 1626a_100150723488_100000743197 [0,2,0,0,0,0|1,0,0]=3 6030 B11R0.142 COCCCNC(=O)C(C)OC 240690a_100150723488_100000743197 [0,2,0,0,0,0|1,0,0]=3 6031 B11R0.142 COCCCNC(=O)C(C)OC 527a_100150723488_100000743197 [0,2,0,0,0,0|1,0,0]=3 6032 B11R0.142 COCCCNC(=O)C(C)SC 1626a_100150723488_100000149566 [0,2,0,0,0,0|1,1,0]=4 6033 B11R0.142 COCCCNC(=O)C(C)SC 240690a_100150723488_100000149566 [0,2,0,0,0,0|1,1,0]=4 6034 B11R0.142 COCCCNC(=O)C(C)SC 527a_100150723488_100000149566 [0,2,0,0,0,0|1,1,0]=4 6035 B11R0.142 COCCCNC(=O)C(C)SC 62a_100000735919_200000210301 [0,2,0,0,0,0|1,1,0]=4 6036 B11R0.142 COCCCNC(=O)C(C)SC 62a_200000210301_100000735919 [0,2,0,0,0,0|1,1,0]=4 6037 B11R0.142 COCCCNC(=O)C(C)S[13CH3] 62a_100000735919_200025704644 [0,2,0,0,0,0|1,1,0]=4 6038 B11R0.142 COCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735919 [0,2,0,0,0,0|1,1,0]=4 6039 B11R0.142 COCCCNC(=O)C(O)CO 240690a_100150723488_100011215603 [0,2,0,0,0,0|1,0,0]=3 6040 B11R0.142 COCCNNC(=O)C(C)OC 22a_100000741390_100000743197 [0,2,0,0,0,0|2,0,0]=4 6041 B11R0.142 COCCNNC(=O)C(O)CO 22a_100000741390_100011215603 [0,2,0,0,0,0|2,0,0]=4 6042 B11R0.142 COCCOCC(=O)C(C)C#N 1458a_100000211095_100000703298 [0,2,0,0,0,0|2,0,0]=4 6043 B11R0.142 CON(C)C(=O)COCCSC 7a_100000230434_100000764215 [0,2,0,0,0,0|2,0,0]=4 6044 B11R0.142 CSC(C)C(=O)CCCCCF 1458a_100000149566_100000729378 [0,2,0,0,0,0|1,1,0]=4 6045 B11R0.142 CSC(C)C(=O)CCCCCO 1458a_100000149566_100000746330 [0,2,0,0,0,0|1,1,0]=4 6046 B11R0.142 CSC(C)C(=O)NCCCCO 240690a_100000750430_100000149566 [0,2,0,0,0,0|1,1,0]=4 6047 B11R0.142 CSC(C)C(=O)NCCCCO 527a_100000750430_100000149566 [0,2,0,0,0,0|1,1,0]=4 6048 B11R0.142 CSCCCNC(=O)C(C)C#N 11a_100000749238_100000753662 [0,2,0,0,0,0|2,0,0]=4 6049 B11R0.142 CSCCCNC(=O)C(C)C#N 1626a_100000749238_100000753662 [0,2,0,0,0,0|2,0,0]=4 6050 B11R0.142 CSCCCNC(=O)C(C)C#N 240690a_100000749238_100000753662 [0,2,0,0,0,0|2,0,0]=4 6051 B11R0.142 CSCCCNC(=O)C(C)C#N 527a_100000749238_100000753662 [0,2,0,0,0,0|2,0,0]=4 6052 B11R0.142 CSCCCNC(=O)C(C)SC 11a_100000749238_100000149566 [0,2,0,0,0,0|1,1,0]=4 6053 B11R0.142 CSCCCNC(=O)C(C)SC 1626a_100000749238_100000149566 [0,2,0,0,0,0|1,1,0]=4 6054 B11R0.142 CSCCCNC(=O)C(C)SC 240690a_100000749238_100000149566 [0,2,0,0,0,0|1,1,0]=4 6055 B11R0.142 CSCCCNC(=O)C(C)SC 527a_100000749238_100000149566 [0,2,0,0,0,0|1,1,0]=4 6056 B11R0.142 CSCCCNC(=O)C(O)CO 240690a_100000749238_100011215603 [0,2,0,0,0,0|1,0,0]=3 6057 B11R0.142 N#CCCCCC(=O)C(O)CO 1458a_100011215603_100000211819 [0,2,0,0,0,0|1,0,1]=4 6058 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,2,0,0,0,0|1,0,0]=3 6059 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,2,0,0,0,0|1,0,0]=3 6060 B11R0.142 O=C(CCOCCO)C(O)CO 1458a_100011215603_100011215305 [0,2,0,0,0,0|2,0,0]=4 6061 B11R0.142 O=C(NCCCCO)C(O)CO 240690a_100000750430_100011215603 [0,2,0,0,0,0|1,0,0]=3 6062 B11R0.73 C#CC(C)C(=O)C(C)CCCC 1458a_100000725509_200000035995 [0,2,0,0,0,0|2,0,0]=4 6063 B11R0.73 C#CC(C)C(=O)C(O)CCCC 1458a_100000720857_200000035995 [0,2,0,0,0,0|2,0,0]=4 6064 B11R0.73 C=CC(C)C(=O)C(C)CCCC 1458a_100011216780_200011215066 [0,2,0,0,0,0|2,0,0]=4 6065 B11R0.73 C=CC(C)C(=O)N(C)CCCC 11a_100000207549_100011216780 [0,2,0,0,0,0|2,0,0]=4 6066 B11R0.73 C=CC(C)C(=O)N(C)CCCC 1626a_100000207549_100011216780 [0,2,0,0,0,0|2,0,0]=4 6067 B11R0.73 C=CC(C)C(=O)N(C)CCCC 240690a_100000207549_100011216780 [0,2,0,0,0,0|2,0,0]=4 6068 B11R0.73 C=CC(C)C(=O)N(C)CCCC 527a_100000207549_100011216780 [0,2,0,0,0,0|2,0,0]=4 6069 B11R0.73 CCC(O)C(=O)N(C)CCCO 240690a_100000213112_100011196387 [0,2,0,0,0,0|2,0,0]=4 6070 B11R0.73 CCC(O)C(=O)N(C)CCOC 240690a_100000743101_100011196387 [0,2,0,0,0,0|2,0,0]=4 6071 B11R0.73 CCC(O)C(=O)N(C)CCSC 240690a_100000686725_100011196387 [0,2,0,0,0,0|2,0,0]=4 6072 B11R0.73 CCCCC(C)C(=O)C(C)C#N 1458a_100000725509_100000703298 [0,2,0,0,0,0|2,0,0]=4 6073 B11R0.73 CCCCC(C)C(=O)C(C)C#N 1458a_100000753662_200011215066 [0,2,0,0,0,0|2,0,0]=4 6074 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100000725509_100000758301 [0,2,0,0,0,0|2,0,0]=4 6075 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100011192722_200011215066 [0,2,0,0,0,0|2,0,0]=4 6076 B11R0.73 CCCCC(C)C(=O)C(C)OC 1458a_100000743197_200011215066 [0,2,0,0,0,0|1,0,0]=3 6077 B11R0.73 CCCCC(C)C(=O)C(C)SC 1458a_100000149566_200011215066 [0,2,0,0,0,0|1,1,0]=4 6078 B11R0.73 CCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011215066 [0,2,0,0,0,0|1,0,0]=3 6079 B11R0.73 CCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011215066 [0,2,0,0,0,0|1,0,0]=3 6080 B11R0.73 CCCCC(O)C(=O)C(C)C#N 1458a_100000720857_100000703298 [0,2,0,0,0,0|2,0,0]=4 6081 B11R0.73 CCCCC(O)C(=O)C(C)CC 1458a_100000720857_100000758301 [0,2,0,0,0,0|2,0,0]=4 6082 B11R0.73 CCCCN(C)C(=O)C(C)C#N 11a_100000207549_100000753662 [0,2,0,0,0,0|2,0,0]=4 6083 B11R0.73 CCCCN(C)C(=O)C(C)C#N 1626a_100000207549_100000753662 [0,2,0,0,0,0|2,0,0]=4 6084 B11R0.73 CCCCN(C)C(=O)C(C)C#N 240690a_100000207549_100000753662 [0,2,0,0,0,0|2,0,0]=4 6085 B11R0.73 CCCCN(C)C(=O)C(C)C#N 527a_100000207549_100000753662 [0,2,0,0,0,0|2,0,0]=4 6086 B11R0.73 CCCCN(C)C(=O)C(C)CC 11a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 6087 B11R0.73 CCCCN(C)C(=O)C(C)CC 1626a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 6088 B11R0.73 CCCCN(C)C(=O)C(C)CC 240690a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 6089 B11R0.73 CCCCN(C)C(=O)C(C)CC 527a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 6090 B11R0.73 CCCCN(C)C(=O)C(C)OC 11a_100000207549_100000743197 [0,2,0,0,0,0|1,0,0]=3 6091 B11R0.73 CCCCN(C)C(=O)C(C)OC 1626a_100000207549_100000743197 [0,2,0,0,0,0|1,0,0]=3 6092 B11R0.73 CCCCN(C)C(=O)C(C)OC 240690a_100000207549_100000743197 [0,2,0,0,0,0|1,0,0]=3 6093 B11R0.73 CCCCN(C)C(=O)C(C)OC 527a_100000207549_100000743197 [0,2,0,0,0,0|1,0,0]=3 6094 B11R0.73 CCCCN(C)C(=O)C(C)SC 11a_100000207549_100000149566 [0,2,0,0,0,0|1,1,0]=4 6095 B11R0.73 CCCCN(C)C(=O)C(C)SC 1626a_100000207549_100000149566 [0,2,0,0,0,0|1,1,0]=4 6096 B11R0.73 CCCCN(C)C(=O)C(C)SC 240690a_100000207549_100000149566 [0,2,0,0,0,0|1,1,0]=4 6097 B11R0.73 CCCCN(C)C(=O)C(C)SC 527a_100000207549_100000149566 [0,2,0,0,0,0|1,1,0]=4 6098 B11R0.73 CCCCN(C)C(=O)C(O)CC 240690a_100000207549_100011196387 [0,2,0,0,0,0|1,0,0]=3 6099 B11R0.73 CCCCN(C)C(=O)C(O)CO 240690a_100000207549_100011215603 [0,2,0,0,0,0|1,0,0]=3 6100 B11R0.73 CN(CCCO)C(=O)C(O)CO 240690a_100000213112_100011215603 [0,2,0,0,0,0|2,0,0]=4 6101 B11R0.73 COC(C)C(=O)N(C)CCCO 240690a_100000213112_100000743197 [0,2,0,0,0,0|2,0,0]=4 6102 B11R0.73 COC(C)C(=O)N(C)CCCO 527a_100000213112_100000743197 [0,2,0,0,0,0|2,0,0]=4 6103 B11R0.73 COC(C)C(=O)N(C)CCSC 11a_100000686725_100000743197 [0,2,0,0,0,0|2,0,0]=4 6104 B11R0.73 COC(C)C(=O)N(C)CCSC 1626a_100000686725_100000743197 [0,2,0,0,0,0|2,0,0]=4 6105 B11R0.73 COC(C)C(=O)N(C)CCSC 240690a_100000686725_100000743197 [0,2,0,0,0,0|2,0,0]=4 6106 B11R0.73 COC(C)C(=O)N(C)CCSC 527a_100000686725_100000743197 [0,2,0,0,0,0|2,0,0]=4 6107 B11R0.73 COCCN(C)C(=O)C(C)OC 11a_100000743101_100000743197 [0,2,0,0,0,0|2,0,0]=4 6108 B11R0.73 COCCN(C)C(=O)C(C)OC 1626a_100000743101_100000743197 [0,2,0,0,0,0|2,0,0]=4 6109 B11R0.73 COCCN(C)C(=O)C(C)OC 240690a_100000743101_100000743197 [0,2,0,0,0,0|2,0,0]=4 6110 B11R0.73 COCCN(C)C(=O)C(C)OC 527a_100000743101_100000743197 [0,2,0,0,0,0|2,0,0]=4 6111 B11R0.73 COCCN(C)C(=O)C(O)CO 240690a_100000743101_100011215603 [0,2,0,0,0,0|2,0,0]=4 6112 B11R0.73 CSCCN(C)C(=O)C(O)CO 240690a_100000686725_100011215603 [0,2,0,0,0,0|2,0,0]=4 6113 B11R0.92 CCC(C)CN(C)C(=O)C(C)C 11a_100000753921_100000210198 [0,2,0,0,0,0|2,0,0]=4 6114 B11R0.92 CCC(C)CN(C)C(=O)C(C)C 1626a_100000753921_100000210198 [0,2,0,0,0,0|2,0,0]=4 6115 B11R0.92 CCC(C)CN(C)C(=O)C(C)C 240690a_100000753921_100000210198 [0,2,0,0,0,0|2,0,0]=4 6116 B11R0.92 CCC(C)CN(C)C(=O)C(C)C 527a_100000753921_100000210198 [0,2,0,0,0,0|2,0,0]=4 6117 B11R0.92 CCC(C)CN(C)C(=O)C(C)F 11a_100000753921_100000062450 [0,2,0,0,0,0|2,0,0]=4 6118 B11R0.92 CCC(C)CN(C)C(=O)C(C)F 1626a_100000753921_100000062450 [0,2,0,0,0,0|2,0,0]=4 6119 B11R0.92 CCC(C)CN(C)C(=O)C(C)F 240690a_100000753921_100000062450 [0,2,0,0,0,0|2,0,0]=4 6120 B11R0.92 CCC(C)CN(C)C(=O)C(C)F 527a_100000753921_100000062450 [0,2,0,0,0,0|2,0,0]=4 6121 B11R0.92 CCC(C)CN(C)C(=O)C(O)O 240690a_100000753921_100000233687 [0,2,0,0,0,0|2,0,0]=4 6122 B11R0.92 CCC(C)CN(C)C(=O)[C@@H](C)O 240690a_100000753921_100000717761 [0,2,0,0,0,0|1,0,0]=3 6123 B11R0.92 CCC(C)CN(C)C(=O)[C@H](C)O 1626a_100000753921_217856618621 [0,2,0,0,0,0|1,0,0]=3 6124 B11R0.92 CCC(C)CN(C)C(=O)[C@H](C)O 240690a_100000753921_217856618621 [0,2,0,0,0,0|1,0,0]=3 6125 B11R0.92 C[C@@H](O)C(=O)N(C)CC(O)CO 240690a_100011216503_100000717761 [0,2,0,0,0,0|2,0,0]=4 6126 B11R0.92 C[C@H](O)C(=O)N(C)CC(O)CO 240690a_100011216503_217856618621 [0,2,0,0,0,0|2,0,0]=4 6127 B11R0.162 CCCCC(CC)C(=O)C(C)C 1458a_100000210198_200011216223 [0,2,0,0,0,0|2,0,0]=4 6128 B11R0.162 CCCCC(CC)C(=O)C(C)C 1458a_100000211130_100000210206 [0,2,0,0,0,0|2,0,0]=4 6129 B11R0.162 CCCCC(CC)C(=O)C(C)F 1458a_100000062450_200011216223 [0,2,0,0,0,0|2,0,0]=4 6130 B11R0.162 CCCCC(CC)C(=O)C(O)O 1458a_100000233687_200011216223 [0,2,0,0,0,0|2,0,0]=4 6131 B11R0.162 CCCCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_200011216223 [0,2,0,0,0,0|1,0,0]=3 6132 B11R0.162 CCCCC(CC)C(=O)[C@H](C)O 1458a_217856618621_200011216223 [0,2,0,0,0,0|1,0,0]=3 6133 B11R0.162 CCCCN(CC)C(=O)C(C)C 11a_100000207695_100000210198 [0,2,0,0,0,0|2,0,0]=4 6134 B11R0.162 CCCCN(CC)C(=O)C(C)C 1626a_100000207695_100000210198 [0,2,0,0,0,0|2,0,0]=4 6135 B11R0.162 CCCCN(CC)C(=O)C(C)C 240690a_100000207695_100000210198 [0,2,0,0,0,0|2,0,0]=4 6136 B11R0.162 CCCCN(CC)C(=O)C(C)C 527a_100000207695_100000210198 [0,2,0,0,0,0|2,0,0]=4 6137 B11R0.162 CCCCN(CC)C(=O)C(C)F 11a_100000207695_100000062450 [0,2,0,0,0,0|2,0,0]=4 6138 B11R0.162 CCCCN(CC)C(=O)C(C)F 1626a_100000207695_100000062450 [0,2,0,0,0,0|2,0,0]=4 6139 B11R0.162 CCCCN(CC)C(=O)C(C)F 240690a_100000207695_100000062450 [0,2,0,0,0,0|2,0,0]=4 6140 B11R0.162 CCCCN(CC)C(=O)C(C)F 527a_100000207695_100000062450 [0,2,0,0,0,0|2,0,0]=4 6141 B11R0.162 CCCCN(CC)C(=O)C(O)O 240690a_100000207695_100000233687 [0,2,0,0,0,0|2,0,0]=4 6142 B11R0.162 CCCCN(CC)C(=O)[C@@H](C)O 240690a_100000207695_100000717761 [0,2,0,0,0,0|1,0,0]=3 6143 B11R0.162 CCCCN(CC)C(=O)[C@H](C)O 1626a_100000207695_217856618621 [0,2,0,0,0,0|1,0,0]=3 6144 B11R0.162 CCCCN(CC)C(=O)[C@H](C)O 240690a_100000207695_217856618621 [0,2,0,0,0,0|1,0,0]=3 6145 B11R0.162 CCN(CCOC)C(=O)[C@@H](C)O 240690a_100000731262_100000717761 [0,2,0,0,0,0|2,0,0]=4 6146 B11R0.162 CCN(CCOC)C(=O)[C@H](C)O 1626a_100000731262_217856618621 [0,2,0,0,0,0|2,0,0]=4 6147 B11R0.162 CCN(CCOC)C(=O)[C@H](C)O 240690a_100000731262_217856618621 [0,2,0,0,0,0|2,0,0]=4 6148 B11R0.173 CC(C)CCC(C)C(=O)C(C)C 1458a_100000210198_100011261404 [0,2,0,0,0,0|2,0,0]=4 6149 B11R0.173 CC(C)CCC(C)C(=O)C(C)F 1458a_100000062450_100011261404 [0,2,0,0,0,0|2,0,0]=4 6150 B11R0.173 CC(C)CCC(C)C(=O)C(O)O 1458a_100000233687_100011261404 [0,2,0,0,0,0|2,0,0]=4 6151 B11R0.173 CC(C)CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100011261404 [0,2,0,0,0,0|1,0,0]=3 6152 B11R0.173 CC(C)CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100011261404 [0,2,0,0,0,0|1,0,0]=3 6153 B11R0.173 CC(C)CCN(C)C(=O)C(C)C 11a_100000742789_100000210198 [0,2,0,0,0,0|2,0,0]=4 6154 B11R0.173 CC(C)CCN(C)C(=O)C(C)C 1626a_100000742789_100000210198 [0,2,0,0,0,0|2,0,0]=4 6155 B11R0.173 CC(C)CCN(C)C(=O)C(C)C 240690a_100000742789_100000210198 [0,2,0,0,0,0|2,0,0]=4 6156 B11R0.173 CC(C)CCN(C)C(=O)C(C)C 527a_100000742789_100000210198 [0,2,0,0,0,0|2,0,0]=4 6157 B11R0.173 CC(C)CCN(C)C(=O)C(C)F 11a_100000742789_100000062450 [0,2,0,0,0,0|2,0,0]=4 6158 B11R0.173 CC(C)CCN(C)C(=O)C(C)F 1626a_100000742789_100000062450 [0,2,0,0,0,0|2,0,0]=4 6159 B11R0.173 CC(C)CCN(C)C(=O)C(C)F 240690a_100000742789_100000062450 [0,2,0,0,0,0|2,0,0]=4 6160 B11R0.173 CC(C)CCN(C)C(=O)C(C)F 527a_100000742789_100000062450 [0,2,0,0,0,0|2,0,0]=4 6161 B11R0.173 CC(C)CCN(C)C(=O)C(O)O 240690a_100000742789_100000233687 [0,2,0,0,0,0|2,0,0]=4 6162 B11R0.173 CC(C)CCN(C)C(=O)[C@@H](C)O 240690a_100000742789_100000717761 [0,2,0,0,0,0|1,0,0]=3 6163 B11R0.173 CC(C)CCN(C)C(=O)[C@H](C)O 1626a_100000742789_217856618621 [0,2,0,0,0,0|1,0,0]=3 6164 B11R0.173 CC(C)CCN(C)C(=O)[C@H](C)O 240690a_100000742789_217856618621 [0,2,0,0,0,0|1,0,0]=3 6165 B11R0.173 C[C@@H](O)C(=O)N(C)CCN(C)C 240690a_100000225618_100000717761 [0,2,0,0,0,0|2,0,0]=4 6166 B11R0.173 C[C@H](O)C(=O)N(C)CCN(C)C 240690a_100000225618_217856618621 [0,2,0,0,0,0|2,0,0]=4 6167 B11R0.218 CCCCC(C)(C)C(=O)C(C)C 1458a_100011216040_100000210206 [0,2,0,0,0,0|2,0,0]=4 6168 B11R0.218 CCCCC(C)(O)C(=O)C(C)C 1458a_100000137666_100000210206 [0,2,0,0,0,0|2,0,0]=4 6169 B11R0.218 CCCCC(F)(F)C(=O)C(C)C 1458a_100000100317_100000210206 [0,2,0,0,0,0|2,0,0]=4 6170 B11R0.21 C=C(C)C(=O)OCC(CC)OC 7a_100010256990_200000210301 [0,2,0,0,0,0|1,0,1]=4 6171 B11R0.21 C=C(C)C(=O)OCC(CC)O[13CH3] 7a_100010256990_200025704644 [0,2,0,0,0,0|1,0,1]=4 6172 B11R0.21 CCC(CC)CNC(=O)C(C)C 11a_100102946423_100000210198 [0,2,0,0,0,0|2,0,0]=4 6173 B11R0.21 CCC(CC)CNC(=O)C(C)C 1626a_100102946423_100000210198 [0,2,0,0,0,0|2,0,0]=4 6174 B11R0.21 CCC(CC)CNC(=O)C(C)C 240690a_100102946423_100000210198 [0,2,0,0,0,0|2,0,0]=4 6175 B11R0.21 CCC(CC)CNC(=O)C(C)C 527a_100102946423_100000210198 [0,2,0,0,0,0|2,0,0]=4 6176 B11R0.21 CCC(CC)CNC(=O)C(C)F 11a_100102946423_100000062450 [0,2,0,0,0,0|2,0,0]=4 6177 B11R0.21 CCC(CC)CNC(=O)C(C)F 1626a_100102946423_100000062450 [0,2,0,0,0,0|2,0,0]=4 6178 B11R0.21 CCC(CC)CNC(=O)C(C)F 240690a_100102946423_100000062450 [0,2,0,0,0,0|2,0,0]=4 6179 B11R0.21 CCC(CC)CNC(=O)C(C)F 527a_100102946423_100000062450 [0,2,0,0,0,0|2,0,0]=4 6180 B11R0.21 CCC(CC)CNC(=O)C(O)O 240690a_100102946423_100000233687 [0,2,0,0,0,0|2,0,0]=4 6181 B11R0.21 CCC(CC)CNC(=O)[C@@H](C)O 240690a_100102946423_100000717761 [0,2,0,0,0,0|1,0,0]=3 6182 B11R0.21 CCC(CC)CNC(=O)[C@H](C)O 1626a_100102946423_217856618621 [0,2,0,0,0,0|1,0,0]=3 6183 B11R0.21 CCC(CC)CNC(=O)[C@H](C)O 240690a_100102946423_217856618621 [0,2,0,0,0,0|1,0,0]=3 6184 B11R0.21 CCC(CC)NNC(=O)[C@@H](C)O 22a_100000756293_100000717761 [0,2,0,0,0,0|2,0,0]=4 6185 B11R0.21 CCC(CC)NNC(=O)[C@H](C)O 22a_100000756293_217856618621 [0,2,0,0,0,0|2,0,0]=4 6186 B11R0.21 CCC(CNC(=O)C(C)C)OC 11a_100000731041_100000210198 [0,2,0,0,0,0|2,0,0]=4 6187 B11R0.21 CCC(CNC(=O)C(C)C)OC 1626a_100000731041_100000210198 [0,2,0,0,0,0|2,0,0]=4 6188 B11R0.21 CCC(CNC(=O)C(C)C)OC 240690a_100000731041_100000210198 [0,2,0,0,0,0|2,0,0]=4 6189 B11R0.21 CCC(CNC(=O)C(C)C)OC 527a_100000731041_100000210198 [0,2,0,0,0,0|2,0,0]=4 6190 B11R0.21 CCC(CNC(=O)C(C)F)OC 11a_100000731041_100000062450 [0,2,0,0,0,0|2,0,0]=4 6191 B11R0.21 CCC(CNC(=O)C(C)F)OC 1626a_100000731041_100000062450 [0,2,0,0,0,0|2,0,0]=4 6192 B11R0.21 CCC(CNC(=O)C(C)F)OC 240690a_100000731041_100000062450 [0,2,0,0,0,0|2,0,0]=4 6193 B11R0.21 CCC(CNC(=O)C(C)F)OC 527a_100000731041_100000062450 [0,2,0,0,0,0|2,0,0]=4 6194 B11R0.21 CCC(CNC(=O)C(O)O)OC 240690a_100000731041_100000233687 [0,2,0,0,0,0|2,0,0]=4 6195 B11R0.21 CCC(CNC(=O)[C@@H](C)O)OC 240690a_100000731041_100000717761 [0,2,0,0,0,0|1,0,0]=3 6196 B11R0.21 CCC(CNC(=O)[C@H](C)O)OC 1626a_100000731041_217856618621 [0,2,0,0,0,0|1,0,0]=3 6197 B11R0.21 CCC(CNC(=O)[C@H](C)O)OC 240690a_100000731041_217856618621 [0,2,0,0,0,0|1,0,0]=3 6198 B11R0.21 CCN(CC)CCC(=O)[C@@H](C)O 1458a_100000717761_100000700428 [0,2,0,0,0,0|2,0,0]=4 6199 B11R0.21 CCN(CC)CCC(=O)[C@H](C)O 1458a_217856618621_100000700428 [0,2,0,0,0,0|2,0,0]=4 6200 B11R0.21 COC(CCC(=O)[C@@H](C)O)OC 1458a_100000717761_100000139399 [0,2,0,0,0,0|2,0,0]=4 6201 B11R0.21 COC(CCC(=O)[C@H](C)O)OC 1458a_217856618621_100000139399 [0,2,0,0,0,0|2,0,0]=4 6202 B11R0.21 COC(CNC(=O)[C@@H](C)O)OC 240690a_100000210479_100000717761 [0,2,0,0,0,0|2,0,0]=4 6203 B11R0.21 COC(CNC(=O)[C@H](C)O)OC 1626a_100000210479_217856618621 [0,2,0,0,0,0|2,0,0]=4 6204 B11R0.21 COC(CNC(=O)[C@H](C)O)OC 240690a_100000210479_217856618621 [0,2,0,0,0,0|2,0,0]=4 6205 B11R0.120 C#CC(C)C(=O)CCC(C)CC 1458a_100000701222_200000035995 [0,2,0,0,0,0|2,0,0]=4 6206 B11R0.120 C=CC(C)C(=O)NCC(C)CC 11a_100020588543_100011216780 [0,2,0,0,0,0|2,0,0]=4 6207 B11R0.120 C=CC(C)C(=O)NCC(C)CC 1626a_100020588543_100011216780 [0,2,0,0,0,0|2,0,0]=4 6208 B11R0.120 C=CC(C)C(=O)NCC(C)CC 240690a_100020588543_100011216780 [0,2,0,0,0,0|2,0,0]=4 6209 B11R0.120 C=CC(C)C(=O)NCC(C)CC 527a_100020588543_100011216780 [0,2,0,0,0,0|2,0,0]=4 6210 B11R0.120 C=CC(C)C(=O)NCC(O)CC 11a_100011218483_100011216780 [0,2,0,0,0,0|2,0,0]=4 6211 B11R0.120 C=CC(C)C(=O)NCC(O)CC 240690a_100011218483_100011216780 [0,2,0,0,0,0|2,0,0]=4 6212 B11R0.120 C=CC(C)C(=O)NCC(O)CC 527a_100011218483_100011216780 [0,2,0,0,0,0|2,0,0]=4 6213 B11R0.120 CC(CO)CNC(=O)C(O)CO 240690a_100000744482_100011215603 [0,2,0,0,0,0|2,0,0]=4 6214 B11R0.120 CCC(C)CCC(=O)C(C)C#N 1458a_100000701222_100000703298 [0,2,0,0,0,0|2,0,0]=4 6215 B11R0.120 CCC(C)CCC(=O)C(C)CC 1458a_100000701222_100000758301 [0,2,0,0,0,0|2,0,0]=4 6216 B11R0.120 CCC(C)CNC(=O)C(C)C#N 11a_100020588543_100000753662 [0,2,0,0,0,0|2,0,0]=4 6217 B11R0.120 CCC(C)CNC(=O)C(C)C#N 1626a_100020588543_100000753662 [0,2,0,0,0,0|2,0,0]=4 6218 B11R0.120 CCC(C)CNC(=O)C(C)C#N 240690a_100020588543_100000753662 [0,2,0,0,0,0|2,0,0]=4 6219 B11R0.120 CCC(C)CNC(=O)C(C)C#N 527a_100020588543_100000753662 [0,2,0,0,0,0|2,0,0]=4 6220 B11R0.120 CCC(C)CNC(=O)C(C)CC 11a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 6221 B11R0.120 CCC(C)CNC(=O)C(C)CC 1626a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 6222 B11R0.120 CCC(C)CNC(=O)C(C)CC 240690a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 6223 B11R0.120 CCC(C)CNC(=O)C(C)CC 527a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 6224 B11R0.120 CCC(C)CNC(=O)C(C)OC 11a_100020588543_100000743197 [0,2,0,0,0,0|1,0,0]=3 6225 B11R0.120 CCC(C)CNC(=O)C(C)OC 1626a_100020588543_100000743197 [0,2,0,0,0,0|1,0,0]=3 6226 B11R0.120 CCC(C)CNC(=O)C(C)OC 240690a_100020588543_100000743197 [0,2,0,0,0,0|1,0,0]=3 6227 B11R0.120 CCC(C)CNC(=O)C(C)OC 527a_100020588543_100000743197 [0,2,0,0,0,0|1,0,0]=3 6228 B11R0.120 CCC(C)CNC(=O)C(C)SC 11a_100020588543_100000149566 [0,2,0,0,0,0|1,1,0]=4 6229 B11R0.120 CCC(C)CNC(=O)C(C)SC 1626a_100020588543_100000149566 [0,2,0,0,0,0|1,1,0]=4 6230 B11R0.120 CCC(C)CNC(=O)C(C)SC 240690a_100020588543_100000149566 [0,2,0,0,0,0|1,1,0]=4 6231 B11R0.120 CCC(C)CNC(=O)C(C)SC 527a_100020588543_100000149566 [0,2,0,0,0,0|1,1,0]=4 6232 B11R0.120 CCC(C)CNC(=O)C(O)CC 240690a_100020588543_100011196387 [0,2,0,0,0,0|1,0,0]=3 6233 B11R0.120 CCC(C)CNC(=O)C(O)CO 240690a_100020588543_100011215603 [0,2,0,0,0,0|1,0,0]=3 6234 B11R0.120 CCC(C)NNC(=O)C(C)OC 22a_100000718999_100000743197 [0,2,0,0,0,0|2,0,0]=4 6235 B11R0.120 CCC(C)NNC(=O)C(O)CC 22a_100000718999_100011196387 [0,2,0,0,0,0|2,0,0]=4 6236 B11R0.120 CCC(C)NNC(=O)C(O)CO 22a_100000718999_100011215603 [0,2,0,0,0,0|2,0,0]=4 6237 B11R0.120 CCC(O)C(=O)NCC(C)CO 240690a_100000744482_100011196387 [0,2,0,0,0,0|2,0,0]=4 6238 B11R0.120 CCC(O)C(=O)NC[C@@H](C)OC 240690a_100020591295_100011196387 [0,2,0,0,0,0|2,0,0]=4 6239 B11R0.120 CCC(O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100011196387 [0,2,0,0,0,0|2,0,0]=4 6240 B11R0.120 CCC(O)C(=O)NC[C@H](O)CO 240690a_100020644852_100011196387 [0,2,0,0,0,0|2,0,0]=4 6241 B11R0.120 CCC(O)CNC(=O)C(C)C#N 11a_100011218483_100000753662 [0,2,0,0,0,0|2,0,0]=4 6242 B11R0.120 CCC(O)CNC(=O)C(C)C#N 240690a_100011218483_100000753662 [0,2,0,0,0,0|2,0,0]=4 6243 B11R0.120 CCC(O)CNC(=O)C(C)C#N 527a_100011218483_100000753662 [0,2,0,0,0,0|2,0,0]=4 6244 B11R0.120 CCC(O)CNC(=O)C(C)CC 11a_100011218483_100011192722 [0,2,0,0,0,0|2,0,0]=4 6245 B11R0.120 CCC(O)CNC(=O)C(C)CC 240690a_100011218483_100011192722 [0,2,0,0,0,0|2,0,0]=4 6246 B11R0.120 CCC(O)CNC(=O)C(C)CC 527a_100011218483_100011192722 [0,2,0,0,0,0|2,0,0]=4 6247 B11R0.120 CCC(O)CNC(=O)C(C)OC 11a_100011218483_100000743197 [0,2,0,0,0,0|1,0,0]=3 6248 B11R0.120 CCC(O)CNC(=O)C(C)OC 240690a_100011218483_100000743197 [0,2,0,0,0,0|1,0,0]=3 6249 B11R0.120 CCC(O)CNC(=O)C(C)OC 527a_100011218483_100000743197 [0,2,0,0,0,0|1,0,0]=3 6250 B11R0.120 CCC(O)CNC(=O)C(C)SC 11a_100011218483_100000149566 [0,2,0,0,0,0|1,1,0]=4 6251 B11R0.120 CCC(O)CNC(=O)C(C)SC 240690a_100011218483_100000149566 [0,2,0,0,0,0|1,1,0]=4 6252 B11R0.120 CCC(O)CNC(=O)C(C)SC 527a_100011218483_100000149566 [0,2,0,0,0,0|1,1,0]=4 6253 B11R0.120 CCC(O)CNC(=O)C(O)CC 240690a_100011218483_100011196387 [0,2,0,0,0,0|1,0,0]=3 6254 B11R0.120 CCC(O)CNC(=O)C(O)CO 240690a_100011218483_100011215603 [0,2,0,0,0,0|1,0,0]=3 6255 B11R0.120 COC(C)C(=O)NCC(C)CO 240690a_100000744482_100000743197 [0,2,0,0,0,0|2,0,0]=4 6256 B11R0.120 COC(C)C(=O)NCC(C)CO 527a_100000744482_100000743197 [0,2,0,0,0,0|2,0,0]=4 6257 B11R0.120 COC(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100000743197 [0,2,0,0,0,0|2,0,0]=4 6258 B11R0.120 COC(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000743197 [0,2,0,0,0,0|2,0,0]=4 6259 B11R0.120 COC(C)C(=O)NC[C@@H](C)OC 240690a_100020591295_100000743197 [0,2,0,0,0,0|2,0,0]=4 6260 B11R0.120 COC(C)C(=O)NC[C@@H](C)OC 527a_100020591295_100000743197 [0,2,0,0,0,0|2,0,0]=4 6261 B11R0.120 COC(C)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000743197 [0,2,0,0,0,0|2,0,0]=4 6262 B11R0.120 COC(C)C(=O)NC[C@@H](F)CO 527a_100015665980_100000743197 [0,2,0,0,0,0|2,0,0]=4 6263 B11R0.120 COC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000743197 [0,2,0,0,0,0|2,0,0]=4 6264 B11R0.120 COC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000743197 [0,2,0,0,0,0|2,0,0]=4 6265 B11R0.120 CO[C@H](C)CNC(=O)C(O)CO 240690a_100020591295_100011215603 [0,2,0,0,0,0|2,0,0]=4 6266 B11R0.120 O=C(NC[C@@H](F)CO)C(O)CO 240690a_100015665980_100011215603 [0,2,0,0,0,0|2,0,0]=4 6267 B11R0.120 O=C(NC[C@H](O)CO)C(O)CO 240690a_100020644852_100011215603 [0,2,0,0,0,0|2,0,0]=4 6268 B11R0.150 CC(C)C(=O)COC(=O)C(C)C 1458a_100000210198_100000139345 [0,2,0,0,0,0|1,0,1]=4 6269 B11R0.150 CC(C)C(=O)NCC(O)C(C)C 11a_100000759067_100000210198 [0,2,0,0,0,0|2,0,0]=4 6270 B11R0.150 CC(C)C(=O)NCC(O)C(C)C 240690a_100000759067_100000210198 [0,2,0,0,0,0|2,0,0]=4 6271 B11R0.150 CC(C)C(=O)NCC(O)C(C)C 527a_100000759067_100000210198 [0,2,0,0,0,0|2,0,0]=4 6272 B11R0.150 CC(C)C(=O)OCC(=O)C(C)F 1458a_100000062450_100000139345 [0,2,0,0,0,0|1,0,1]=4 6273 B11R0.150 CC(C)C(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100000139345 [0,2,0,0,0,0|1,0,1]=4 6274 B11R0.150 CC(C)C(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100000139345 [0,2,0,0,0,0|1,0,1]=4 6275 B11R0.150 CC(C)C(O)CNC(=O)C(O)O 240690a_100000759067_100000233687 [0,2,0,0,0,0|2,0,0]=4 6276 B11R0.150 CC(C)C(O)CNC(=O)[C@@H](C)O 240690a_100000759067_100000717761 [0,2,0,0,0,0|1,0,0]=3 6277 B11R0.150 CC(C)C(O)CNC(=O)[C@H](C)O 240690a_100000759067_217856618621 [0,2,0,0,0,0|1,0,0]=3 6278 B11R0.150 CC(F)C(=O)NCC(O)C(C)C 11a_100000759067_100000062450 [0,2,0,0,0,0|2,0,0]=4 6279 B11R0.150 CC(F)C(=O)NCC(O)C(C)C 240690a_100000759067_100000062450 [0,2,0,0,0,0|2,0,0]=4 6280 B11R0.150 CC(F)C(=O)NCC(O)C(C)C 527a_100000759067_100000062450 [0,2,0,0,0,0|2,0,0]=4 6281 B11R0.302 CCS(=O)(=O)CCC(=O)[C@@H](C)O 1458a_100000717761_100000756660 [0,2,0,0,0,0|2,0,0]=4 6282 B11R0.302 CCS(=O)(=O)CCC(=O)[C@H](C)O 1458a_217856618621_100000756660 [0,2,0,0,0,0|2,0,0]=4 6283 B11R0.302 COC(C)(C)CNC(=O)[C@@H](C)O 240690a_100000763424_100000717761 [0,2,0,0,0,0|2,0,0]=4 6284 B11R0.302 COC(C)(C)CNC(=O)[C@H](C)O 1626a_100000763424_217856618621 [0,2,0,0,0,0|2,0,0]=4 6285 B11R0.302 COC(C)(C)CNC(=O)[C@H](C)O 240690a_100000763424_217856618621 [0,2,0,0,0,0|2,0,0]=4 6286 B11R0.302 C[C@@H](O)C(=O)NCC(C)(C)CO 240690a_100020635058_100000717761 [0,2,0,0,0,0|2,0,0]=4 6287 B11R0.302 C[C@@H](O)C(=O)NCC(F)(F)CO 240690a_100000703232_100000717761 [0,2,0,0,0,0|2,0,0]=4 6288 B11R0.302 C[C@H](O)C(=O)NCC(C)(C)CO 240690a_100020635058_217856618621 [0,2,0,0,0,0|2,0,0]=4 6289 B11R0.302 C[C@H](O)C(=O)NCC(F)(F)CO 240690a_100000703232_217856618621 [0,2,0,0,0,0|2,0,0]=4 6290 B11R0.145 C#CC(C)C(=O)CCCC(C)C 1458a_100011216857_200000035995 [0,2,0,0,0,0|2,0,0]=4 6291 B11R0.145 C=CC(C)C(=O)CCCC(C)C 1458a_100011216780_100011214892 [0,2,0,0,0,0|2,0,0]=4 6292 B11R0.145 C=CC(C)C(=O)CCCC(C)O 1458a_100011216780_200000718107 [0,2,0,0,0,0|2,0,0]=4 6293 B11R0.145 C=CC(C)C(=O)NCCC(C)C 11a_100000210545_100011216780 [0,2,0,0,0,0|2,0,0]=4 6294 B11R0.145 C=CC(C)C(=O)NCCC(C)C 1626a_100000210545_100011216780 [0,2,0,0,0,0|2,0,0]=4 6295 B11R0.145 C=CC(C)C(=O)NCCC(C)C 240690a_100000210545_100011216780 [0,2,0,0,0,0|2,0,0]=4 6296 B11R0.145 C=CC(C)C(=O)NCCC(C)C 527a_100000210545_100011216780 [0,2,0,0,0,0|2,0,0]=4 6297 B11R0.145 C=CC(C)C(=O)NCCC(C)O 240690a_200000755665_100011216780 [0,2,0,0,0,0|2,0,0]=4 6298 B11R0.145 C=CC(C)C(=O)NCCC(C)O 527a_200000755665_100011216780 [0,2,0,0,0,0|2,0,0]=4 6299 B11R0.145 CC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100011215641 [0,2,0,0,0,0|1,0,1]=4 6300 B11R0.145 CC(C)CCCC(=O)C(C)C#N 1458a_100000753662_100011214892 [0,2,0,0,0,0|2,0,0]=4 6301 B11R0.145 CC(C)CCCC(=O)C(C)C#N 1458a_100011216857_100000703298 [0,2,0,0,0,0|2,0,0]=4 6302 B11R0.145 CC(C)CCCC(=O)C(O)CO 1458a_100011215603_100011214892 [0,2,0,0,0,0|1,0,0]=3 6303 B11R0.145 CC(C)CCNC(=O)C(C)C#N 11a_100000210545_100000753662 [0,2,0,0,0,0|2,0,0]=4 6304 B11R0.145 CC(C)CCNC(=O)C(C)C#N 1626a_100000210545_100000753662 [0,2,0,0,0,0|2,0,0]=4 6305 B11R0.145 CC(C)CCNC(=O)C(C)C#N 240690a_100000210545_100000753662 [0,2,0,0,0,0|2,0,0]=4 6306 B11R0.145 CC(C)CCNC(=O)C(C)C#N 527a_100000210545_100000753662 [0,2,0,0,0,0|2,0,0]=4 6307 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_100000735922_200025704644 [0,2,0,0,0,0|1,1,0]=4 6308 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735922 [0,2,0,0,0,0|1,1,0]=4 6309 B11R0.145 CC(C)CCNC(=O)C(O)CO 240690a_100000210545_100011215603 [0,2,0,0,0,0|1,0,0]=3 6310 B11R0.145 CC(C)CCOC(=O)C(C)O[13CH3] 34a_200000034679_200025704644 [0,2,0,0,0,0|0,0,0]=2 6311 B11R0.145 CC(C)CCOC(=O)C(C)O[13CH3] 7a_200000034679_200025704644 [0,2,0,0,0,0|0,0,0]=2 6312 B11R0.145 CC(C)CNNC(=O)C(O)CO 22a_100000696102_100011215603 [0,2,0,0,0,0|2,0,0]=4 6313 B11R0.145 CC(C)OCCC(=O)C(O)CO 1458a_100011215603_100000211751 [0,2,0,0,0,0|2,0,0]=4 6314 B11R0.145 CC(C)SCCC(=O)C(O)CO 1458a_100011215603_100000730970 [0,2,0,0,0,0|2,0,0]=4 6315 B11R0.145 CC(O)CCCC(=O)C(C)C#N 1458a_100000753662_200000718107 [0,2,0,0,0,0|2,0,0]=4 6316 B11R0.145 CC(O)CCCC(=O)C(O)CO 1458a_100011215603_200000718107 [0,2,0,0,0,0|1,0,0]=3 6317 B11R0.145 CC(O)CCNC(=O)C(C)C#N 240690a_200000755665_100000753662 [0,2,0,0,0,0|2,0,0]=4 6318 B11R0.145 CC(O)CCNC(=O)C(C)C#N 527a_200000755665_100000753662 [0,2,0,0,0,0|2,0,0]=4 6319 B11R0.145 CC(O)CCNC(=O)C(O)CO 240690a_200000755665_100011215603 [0,2,0,0,0,0|1,0,0]=3 6320 B11R0.145 CC(O)CNNC(=O)C(O)CO 22a_200000730056_100011215603 [0,2,0,0,0,0|2,0,0]=4 6321 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011192722_100011214892 [0,2,0,0,0,0|2,0,0]=4 6322 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000758301 [0,2,0,0,0,0|2,0,0]=4 6323 B11R0.145 CCC(C)C(=O)CCCC(C)O 1458a_100011192722_200000718107 [0,2,0,0,0,0|2,0,0]=4 6324 B11R0.145 CCC(C)C(=O)NCCC(C)C 11a_100000210545_100011192722 [0,2,0,0,0,0|2,0,0]=4 6325 B11R0.145 CCC(C)C(=O)NCCC(C)C 1626a_100000210545_100011192722 [0,2,0,0,0,0|2,0,0]=4 6326 B11R0.145 CCC(C)C(=O)NCCC(C)C 240690a_100000210545_100011192722 [0,2,0,0,0,0|2,0,0]=4 6327 B11R0.145 CCC(C)C(=O)NCCC(C)C 527a_100000210545_100011192722 [0,2,0,0,0,0|2,0,0]=4 6328 B11R0.145 CCC(C)C(=O)NCCC(C)O 240690a_200000755665_100011192722 [0,2,0,0,0,0|2,0,0]=4 6329 B11R0.145 CCC(C)C(=O)NCCC(C)O 527a_200000755665_100011192722 [0,2,0,0,0,0|2,0,0]=4 6330 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,2,0,0,0,0|1,0,1]=4 6331 B11R0.145 CCC(O)C(=O)CCCC(C)C 1458a_100011196387_100011214892 [0,2,0,0,0,0|1,0,0]=3 6332 B11R0.145 CCC(O)C(=O)CCCC(C)O 1458a_100011196387_200000718107 [0,2,0,0,0,0|1,0,0]=3 6333 B11R0.145 CCC(O)C(=O)CCCN(C)C 1458a_100011196387_100000695564 [0,2,0,0,0,0|2,0,0]=4 6334 B11R0.145 CCC(O)C(=O)CCOC(C)C 1458a_100011196387_100000211751 [0,2,0,0,0,0|2,0,0]=4 6335 B11R0.145 CCC(O)C(=O)CCSC(C)C 1458a_100011196387_100000730970 [0,2,0,0,0,0|2,0,0]=4 6336 B11R0.145 CCC(O)C(=O)NCCC(C)C 240690a_100000210545_100011196387 [0,2,0,0,0,0|1,0,0]=3 6337 B11R0.145 CCC(O)C(=O)NCCC(C)O 240690a_200000755665_100011196387 [0,2,0,0,0,0|1,0,0]=3 6338 B11R0.145 CCC(O)C(=O)NCCN(C)C 240690a_100000210585_100011196387 [0,2,0,0,0,0|2,0,0]=4 6339 B11R0.145 CCC(O)C(=O)NNCC(C)C 22a_100000696102_100011196387 [0,2,0,0,0,0|2,0,0]=4 6340 B11R0.145 CCC(O)C(=O)NNCC(C)O 22a_200000730056_100011196387 [0,2,0,0,0,0|2,0,0]=4 6341 B11R0.145 CN(C)CCCC(=O)C(O)CO 1458a_100011215603_100000695564 [0,2,0,0,0,0|2,0,0]=4 6342 B11R0.145 CN(C)CCNC(=O)C(O)CO 240690a_100000210585_100011215603 [0,2,0,0,0,0|2,0,0]=4 6343 B11R0.145 CNC(C)C(=O)NCCC(C)C 2230a_106832991635_100000735922 [0,2,0,0,0,0|2,0,0]=4 6344 B11R0.145 CNC(C)C(=O)NCCC(C)C 34a_100102657272_100000735922 [0,2,0,0,0,0|2,0,0]=4 6345 B11R0.145 CNC(C)C(=O)NCCC(C)C 7a_106832991635_100000735922 [0,2,0,0,0,0|2,0,0]=4 6346 B11R0.145 COC(C)C(=O)CCCC(=O)C 1458a_100000743197_100011215641 [0,2,0,0,0,0|1,0,1]=4 6347 B11R0.145 COC(C)C(=O)CCCC(C)C 1458a_100000743197_100011214892 [0,2,0,0,0,0|1,0,0]=3 6348 B11R0.145 COC(C)C(=O)CCCC(C)O 1458a_100000743197_200000718107 [0,2,0,0,0,0|1,0,0]=3 6349 B11R0.145 COC(C)C(=O)CCCN(C)C 1458a_100000743197_100000695564 [0,2,0,0,0,0|2,0,0]=4 6350 B11R0.145 COC(C)C(=O)CCOC(C)C 1458a_100000743197_100000211751 [0,2,0,0,0,0|2,0,0]=4 6351 B11R0.145 COC(C)C(=O)CCSC(C)C 1458a_100000743197_100000730970 [0,2,0,0,0,0|2,0,0]=4 6352 B11R0.145 COC(C)C(=O)NCCC(C)C 11a_100000210545_100000743197 [0,2,0,0,0,0|1,0,0]=3 6353 B11R0.145 COC(C)C(=O)NCCC(C)C 1626a_100000210545_100000743197 [0,2,0,0,0,0|1,0,0]=3 6354 B11R0.145 COC(C)C(=O)NCCC(C)C 240690a_100000210545_100000743197 [0,2,0,0,0,0|1,0,0]=3 6355 B11R0.145 COC(C)C(=O)NCCC(C)C 34a_100138415774_100000735922 [0,2,0,0,0,0|1,0,0]=3 6356 B11R0.145 COC(C)C(=O)NCCC(C)C 527a_100000210545_100000743197 [0,2,0,0,0,0|1,0,0]=3 6357 B11R0.145 COC(C)C(=O)NCCC(C)O 240690a_200000755665_100000743197 [0,2,0,0,0,0|1,0,0]=3 6358 B11R0.145 COC(C)C(=O)NCCC(C)O 527a_200000755665_100000743197 [0,2,0,0,0,0|1,0,0]=3 6359 B11R0.145 COC(C)C(=O)NCCN(C)C 240690a_100000210585_100000743197 [0,2,0,0,0,0|2,0,0]=4 6360 B11R0.145 COC(C)C(=O)NCCN(C)C 527a_100000210585_100000743197 [0,2,0,0,0,0|2,0,0]=4 6361 B11R0.145 COC(C)C(=O)NNCC(C)C 22a_100000696102_100000743197 [0,2,0,0,0,0|2,0,0]=4 6362 B11R0.145 COC(C)C(=O)NNCC(C)O 22a_200000730056_100000743197 [0,2,0,0,0,0|2,0,0]=4 6363 B11R0.145 COC(C)C(=O)OCCC(C)C 34a_200000034679_200000210301 [0,2,0,0,0,0|0,0,0]=2 6364 B11R0.145 COC(C)C(=O)OCCC(C)C 7a_200000034679_200000210301 [0,2,0,0,0,0|0,0,0]=2 6365 B11R0.145 CSC(C)C(=O)CCCC(C)C 1458a_100000149566_100011214892 [0,2,0,0,0,0|1,1,0]=4 6366 B11R0.145 CSC(C)C(=O)CCCC(C)O 1458a_100000149566_200000718107 [0,2,0,0,0,0|1,1,0]=4 6367 B11R0.145 CSC(C)C(=O)NCCC(C)C 11a_100000210545_100000149566 [0,2,0,0,0,0|1,1,0]=4 6368 B11R0.145 CSC(C)C(=O)NCCC(C)C 1626a_100000210545_100000149566 [0,2,0,0,0,0|1,1,0]=4 6369 B11R0.145 CSC(C)C(=O)NCCC(C)C 240690a_100000210545_100000149566 [0,2,0,0,0,0|1,1,0]=4 6370 B11R0.145 CSC(C)C(=O)NCCC(C)C 527a_100000210545_100000149566 [0,2,0,0,0,0|1,1,0]=4 6371 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_100000735922_200000210301 [0,2,0,0,0,0|1,1,0]=4 6372 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_200000210301_100000735922 [0,2,0,0,0,0|1,1,0]=4 6373 B11R0.145 CSC(C)C(=O)NCCC(C)O 240690a_200000755665_100000149566 [0,2,0,0,0,0|1,1,0]=4 6374 B11R0.145 CSC(C)C(=O)NCCC(C)O 527a_200000755665_100000149566 [0,2,0,0,0,0|1,1,0]=4 6375 B11R0.155 C=CCC(C)C(=O)CCCCC 1458a_100011216819_100000210326 [0,2,0,0,0,0|2,0,0]=4 6376 B11R0.155 C=CCC(C)C(=O)NCCCC 11a_100000102301_100011216819 [0,2,0,0,0,0|2,0,0]=4 6377 B11R0.155 C=CCC(C)C(=O)NCCCC 1626a_100000102301_100011216819 [0,2,0,0,0,0|2,0,0]=4 6378 B11R0.155 C=CCC(C)C(=O)NCCCC 240690a_100000102301_100011216819 [0,2,0,0,0,0|2,0,0]=4 6379 B11R0.155 C=CCC(C)C(=O)NCCCC 527a_100000102301_100011216819 [0,2,0,0,0,0|2,0,0]=4 6380 B11R0.155 CC(CCO)C(=O)CCCCO 1458a_100000695505_100009893172 [0,2,0,0,0,0|2,0,0]=4 6381 B11R0.155 CCCC#CC(=O)C(C)CCO 1458a_200011218047_100009893172 [0,2,0,0,0,0|1,0,1]=4 6382 B11R0.155 CCCC#CC(=O)C(C)COC 1458a_200011218047_100000765312 [0,2,0,0,0,0|1,0,1]=4 6383 B11R0.155 CCCC=CC(=O)C(C)CCO 1458a_100000212230_100009893172 [0,2,0,0,0,0|1,0,1]=4 6384 B11R0.155 CCCC=CC(=O)C(C)COC 1458a_100000212230_100000765312 [0,2,0,0,0,0|1,0,1]=4 6385 B11R0.155 CCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210326 [0,2,0,0,0,0|1,0,1]=4 6386 B11R0.155 CCCCCC(=O)C(C)CC#N 1458a_100000212188_100009813641 [0,2,0,0,0,0|2,0,0]=4 6387 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,2,0,0,0,0|2,0,0]=4 6388 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,2,0,0,0,0|2,0,0]=4 6389 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [0,2,0,0,0,0|1,0,0]=3 6390 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000212188_100000765312 [0,2,0,0,0,0|1,0,0]=3 6391 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000751857_100000210326 [0,2,0,0,0,0|1,0,0]=3 6392 B11R0.155 CCCCCC(=O)C(C)CSC 1458a_100000753918_100000210326 [0,2,0,0,0,0|1,1,0]=4 6393 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [0,2,0,0,0,0|1,0,0]=3 6394 B11R0.155 CCCCCC(=O)C(C)SCC 1458a_100000230601_100000210326 [0,2,0,0,0,0|1,1,0]=4 6395 B11R0.155 CCCCCC(=O)N(C)CCO 240690a_100000210263_100000212188 [0,2,0,0,0,0|2,0,0]=4 6396 B11R0.155 CCCCCC(=O)N(C)CCO 527a_100000210263_100000212188 [0,2,0,0,0,0|2,0,0]=4 6397 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,2,0,0,0,0|1,0,0]=3 6398 B11R0.155 CCCCNC(=O)/C(=N/OC)/C 11a_100000102301_100160996864 [0,2,0,0,0,0|1,0,1]=4 6399 B11R0.155 CCCCNC(=O)/C(=N/OC)/C 240690a_100000102301_100160996864 [0,2,0,0,0,0|1,0,1]=4 6400 B11R0.155 CCCCNC(=O)C(C)CCC 11a_100000102301_100000210906 [0,2,0,0,0,0|2,0,0]=4 6401 B11R0.155 CCCCNC(=O)C(C)CCC 1626a_100000102301_100000210906 [0,2,0,0,0,0|2,0,0]=4 6402 B11R0.155 CCCCNC(=O)C(C)CCC 240690a_100000102301_100000210906 [0,2,0,0,0,0|2,0,0]=4 6403 B11R0.155 CCCCNC(=O)C(C)CCC 527a_100000102301_100000210906 [0,2,0,0,0,0|2,0,0]=4 6404 B11R0.155 CCCCNC(=O)C(C)COC 11a_100000102301_100000751857 [0,2,0,0,0,0|1,0,0]=3 6405 B11R0.155 CCCCNC(=O)C(C)COC 1626a_100000102301_100000751857 [0,2,0,0,0,0|1,0,0]=3 6406 B11R0.155 CCCCNC(=O)C(C)COC 240690a_100000102301_100000751857 [0,2,0,0,0,0|1,0,0]=3 6407 B11R0.155 CCCCNC(=O)C(C)COC 527a_100000102301_100000751857 [0,2,0,0,0,0|1,0,0]=3 6408 B11R0.155 CCCCNC(=O)C(C)CSC 11a_100000102301_100000753918 [0,2,0,0,0,0|1,1,0]=4 6409 B11R0.155 CCCCNC(=O)C(C)CSC 1626a_100000102301_100000753918 [0,2,0,0,0,0|1,1,0]=4 6410 B11R0.155 CCCCNC(=O)C(C)CSC 240690a_100000102301_100000753918 [0,2,0,0,0,0|1,1,0]=4 6411 B11R0.155 CCCCNC(=O)C(C)CSC 527a_100000102301_100000753918 [0,2,0,0,0,0|1,1,0]=4 6412 B11R0.155 CCCCNC(=O)C(C)NCC 2230a_100015525214_100000735917 [0,2,0,0,0,0|2,0,0]=4 6413 B11R0.155 CCCCNC(=O)C(C)OCC 11a_100000102301_100000739345 [0,2,0,0,0,0|1,0,0]=3 6414 B11R0.155 CCCCNC(=O)C(C)OCC 1626a_100000102301_100000739345 [0,2,0,0,0,0|1,0,0]=3 6415 B11R0.155 CCCCNC(=O)C(C)OCC 240690a_100000102301_100000739345 [0,2,0,0,0,0|1,0,0]=3 6416 B11R0.155 CCCCNC(=O)C(C)OCC 34a_100121572206_100000735917 [0,2,0,0,0,0|1,0,0]=3 6417 B11R0.155 CCCCNC(=O)C(C)OCC 527a_100000102301_100000739345 [0,2,0,0,0,0|1,0,0]=3 6418 B11R0.155 CCCCNC(=O)C(C)SCC 11a_100000102301_100000230601 [0,2,0,0,0,0|1,1,0]=4 6419 B11R0.155 CCCCNC(=O)C(C)SCC 1626a_100000102301_100000230601 [0,2,0,0,0,0|1,1,0]=4 6420 B11R0.155 CCCCNC(=O)C(C)SCC 240690a_100000102301_100000230601 [0,2,0,0,0,0|1,1,0]=4 6421 B11R0.155 CCCCNC(=O)C(C)SCC 527a_100000102301_100000230601 [0,2,0,0,0,0|1,1,0]=4 6422 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000210202_100000735917 [0,2,0,0,0,0|1,1,0]=4 6423 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000735917_100000210202 [0,2,0,0,0,0|1,1,0]=4 6424 B11R0.155 CCCCNC(=O)C(C)SCF 62a_100000735917_100015361967 [0,2,0,0,0,0|1,1,0]=4 6425 B11R0.155 CCCCNC(=O)C(C)SCF 62a_100015361967_100000735917 [0,2,0,0,0,0|1,1,0]=4 6426 B11R0.155 CCCCNC(=O)N(C)CCO 2708a_100000102301_100000210263 [0,2,0,0,0,0|2,0,0]=4 6427 B11R0.155 CCCCNC(=O)N(C)CCO 273464a_100000102301_100000210263 [0,2,0,0,0,0|2,0,0]=4 6428 B11R0.155 CCCCNC(=O)[C@@H](O)CCC 240690a_100000102301_100009822183 [0,2,0,0,0,0|1,0,0]=3 6429 B11R0.155 CCCCOC(=O)C(C)NCC 2230a_100015525214_100000759602 [0,2,0,0,0,0|1,0,0]=3 6430 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100000038973_100000210202 [0,2,0,0,0,0|0,0,0]=2 6431 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100121572206_100000759602 [0,2,0,0,0,0|0,0,0]=2 6432 B11R0.155 CCCCOC(=O)C(C)OCC 7a_100000038973_100000210202 [0,2,0,0,0,0|0,0,0]=2 6433 B11R0.155 CCCCOC(=O)C(C)OCF 34a_100000038973_100015361967 [0,2,0,0,0,0|0,0,0]=2 6434 B11R0.155 CCCCOC(=O)C(C)OCF 7a_100000038973_100015361967 [0,2,0,0,0,0|0,0,0]=2 6435 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000210202_100000759602 [0,2,0,0,0,0|0,1,0]=3 6436 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000759602_100000210202 [0,2,0,0,0,0|0,1,0]=3 6437 B11R0.155 CCCCOC(=O)C(C)SCF 62a_100000759602_100015361967 [0,2,0,0,0,0|0,1,0]=3 6438 B11R0.155 CCCCOC(=O)C(C)SCF 62a_100015361967_100000759602 [0,2,0,0,0,0|0,1,0]=3 6439 B11R0.155 CCCNNC(=O)C(C)COC 22a_100000740057_100000751857 [0,2,0,0,0,0|2,0,0]=4 6440 B11R0.155 CCCNNC(=O)C(C)OCC 22a_100000740057_100000739345 [0,2,0,0,0,0|2,0,0]=4 6441 B11R0.155 CCCNNC(=O)[C@@H](O)CCC 22a_100000740057_100009822183 [0,2,0,0,0,0|2,0,0]=4 6442 B11R0.155 CCCOCC(=O)C(C)CCO 1458a_100000745993_100009893172 [0,2,0,0,0,0|2,0,0]=4 6443 B11R0.155 CCCOCC(=O)C(C)COC 1458a_100000745993_100000765312 [0,2,0,0,0,0|2,0,0]=4 6444 B11R0.155 CCCSCC(=O)C(C)CCO 1458a_100000217233_100009893172 [0,2,0,0,0,0|2,0,0]=4 6445 B11R0.155 CCCSCC(=O)C(C)COC 1458a_100000217233_100000765312 [0,2,0,0,0,0|2,0,0]=4 6446 B11R0.155 CCC[C@H](O)C(=O)CCCCF 1458a_100009822183_100000729493 [0,2,0,0,0,0|2,0,0]=4 6447 B11R0.155 CCC[C@H](O)C(=O)CCCCO 1458a_100009822183_100000210776 [0,2,0,0,0,0|2,0,0]=4 6448 B11R0.155 CCC[C@H](O)C(=O)CCCOC 1458a_100009822183_100000740836 [0,2,0,0,0,0|2,0,0]=4 6449 B11R0.155 CCC[C@H](O)C(=O)CCOCC 1458a_100009822183_100011215890 [0,2,0,0,0,0|2,0,0]=4 6450 B11R0.155 CCC[C@H](O)C(=O)CCSCC 1458a_100009822183_100000757381 [0,2,0,0,0,0|2,0,0]=4 6451 B11R0.155 CCC[C@H](O)C(=O)NCCCF 240690a_100015189416_100009822183 [0,2,0,0,0,0|2,0,0]=4 6452 B11R0.155 CCC[C@H](O)C(=O)NCCCO 240690a_100000182051_100009822183 [0,2,0,0,0,0|2,0,0]=4 6453 B11R0.155 CCC[C@H](O)C(=O)NCCOC 240690a_100000209980_100009822183 [0,2,0,0,0,0|2,0,0]=4 6454 B11R0.155 CCC[C@H](O)C(=O)NCCSC 240690a_100020590264_100009822183 [0,2,0,0,0,0|2,0,0]=4 6455 B11R0.155 CCOC(C)C(=O)CCCCF 1458a_100000739345_100000729493 [0,2,0,0,0,0|2,0,0]=4 6456 B11R0.155 CCOC(C)C(=O)CCCCO 1458a_100000739345_100000210776 [0,2,0,0,0,0|2,0,0]=4 6457 B11R0.155 CCOC(C)C(=O)CCCOC 1458a_100000739345_100000740836 [0,2,0,0,0,0|2,0,0]=4 6458 B11R0.155 CCOC(C)C(=O)CCSCC 1458a_100000739345_100000757381 [0,2,0,0,0,0|2,0,0]=4 6459 B11R0.155 CCOC(C)C(=O)NCCCF 11a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 6460 B11R0.155 CCOC(C)C(=O)NCCCF 1626a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 6461 B11R0.155 CCOC(C)C(=O)NCCCF 240690a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 6462 B11R0.155 CCOC(C)C(=O)NCCCF 527a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 6463 B11R0.155 CCOC(C)C(=O)NCCCO 240690a_100000182051_100000739345 [0,2,0,0,0,0|2,0,0]=4 6464 B11R0.155 CCOC(C)C(=O)NCCCO 527a_100000182051_100000739345 [0,2,0,0,0,0|2,0,0]=4 6465 B11R0.155 CCOC(C)C(=O)NCCOC 1626a_100000209980_100000739345 [0,2,0,0,0,0|2,0,0]=4 6466 B11R0.155 CCOC(C)C(=O)NCCOC 240690a_100000209980_100000739345 [0,2,0,0,0,0|2,0,0]=4 6467 B11R0.155 CCOC(C)C(=O)NCCOC 527a_100000209980_100000739345 [0,2,0,0,0,0|2,0,0]=4 6468 B11R0.155 CCOC(C)C(=O)NCCSC 11a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 6469 B11R0.155 CCOC(C)C(=O)NCCSC 1626a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 6470 B11R0.155 CCOC(C)C(=O)NCCSC 240690a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 6471 B11R0.155 CCOC(C)C(=O)NCCSC 527a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 6472 B11R0.155 CCOCCC(=O)C(C)CCO 1458a_100000749530_100009893172 [0,2,0,0,0,0|2,0,0]=4 6473 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000749530_100000765312 [0,2,0,0,0,0|2,0,0]=4 6474 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000751857_100011215890 [0,2,0,0,0,0|2,0,0]=4 6475 B11R0.155 CCOCCC(=O)C(C)OCC 1458a_100000739345_100011215890 [0,2,0,0,0,0|2,0,0]=4 6476 B11R0.155 CCSCCC(=O)C(C)CCO 1458a_100000230768_100009893172 [0,2,0,0,0,0|2,0,0]=4 6477 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000230768_100000765312 [0,2,0,0,0,0|2,0,0]=4 6478 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000751857_100000757381 [0,2,0,0,0,0|2,0,0]=4 6479 B11R0.155 COCC(C)C(=O)CCCCF 1458a_100000751857_100000729493 [0,2,0,0,0,0|2,0,0]=4 6480 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000695505_100000765312 [0,2,0,0,0,0|2,0,0]=4 6481 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000751857_100000210776 [0,2,0,0,0,0|2,0,0]=4 6482 B11R0.155 COCC(C)C(=O)CCCSC 1458a_100000173376_100000765312 [0,2,0,0,0,0|2,0,0]=4 6483 B11R0.155 COCC(C)C(=O)NCCCF 11a_100015189416_100000751857 [0,2,0,0,0,0|2,0,0]=4 6484 B11R0.155 COCC(C)C(=O)NCCCF 1626a_100015189416_100000751857 [0,2,0,0,0,0|2,0,0]=4 6485 B11R0.155 COCC(C)C(=O)NCCCF 240690a_100015189416_100000751857 [0,2,0,0,0,0|2,0,0]=4 6486 B11R0.155 COCC(C)C(=O)NCCCF 527a_100015189416_100000751857 [0,2,0,0,0,0|2,0,0]=4 6487 B11R0.155 COCC(C)C(=O)NCCCO 240690a_100000182051_100000751857 [0,2,0,0,0,0|2,0,0]=4 6488 B11R0.155 COCC(C)C(=O)NCCCO 527a_100000182051_100000751857 [0,2,0,0,0,0|2,0,0]=4 6489 B11R0.155 COCC(C)C(=O)NCCSC 11a_100020590264_100000751857 [0,2,0,0,0,0|2,0,0]=4 6490 B11R0.155 COCC(C)C(=O)NCCSC 1626a_100020590264_100000751857 [0,2,0,0,0,0|2,0,0]=4 6491 B11R0.155 COCC(C)C(=O)NCCSC 240690a_100020590264_100000751857 [0,2,0,0,0,0|2,0,0]=4 6492 B11R0.155 COCC(C)C(=O)NCCSC 527a_100020590264_100000751857 [0,2,0,0,0,0|2,0,0]=4 6493 B11R0.155 COCCCC(=O)C(C)CCO 1458a_100000741012_100009893172 [0,2,0,0,0,0|2,0,0]=4 6494 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000741012_100000765312 [0,2,0,0,0,0|2,0,0]=4 6495 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000751857_100000740836 [0,2,0,0,0,0|2,0,0]=4 6496 B11R0.155 COCCNC(=O)C(C)COC 1626a_100000209980_100000751857 [0,2,0,0,0,0|2,0,0]=4 6497 B11R0.155 COCCNC(=O)C(C)COC 240690a_100000209980_100000751857 [0,2,0,0,0,0|2,0,0]=4 6498 B11R0.155 COCCNC(=O)C(C)COC 527a_100000209980_100000751857 [0,2,0,0,0,0|2,0,0]=4 6499 B11R0.155 CSCCCC(=O)C(C)CCO 1458a_100000173376_100009893172 [0,2,0,0,0,0|2,0,0]=4 6500 B11R0.157 CCC(OC)C(=O)CCCCF 1458a_100000747056_100000729493 [0,2,0,0,0,0|2,0,0]=4 6501 B11R0.157 CCC(OC)C(=O)CCCCO 1458a_100000747056_100000210776 [0,2,0,0,0,0|2,0,0]=4 6502 B11R0.157 CCC(OC)C(=O)CCCOC 1458a_100000747056_100000740836 [0,2,0,0,0,0|2,0,0]=4 6503 B11R0.157 CCC(OC)C(=O)NCCCF 11a_100015189416_100000747056 [0,2,0,0,0,0|2,0,0]=4 6504 B11R0.157 CCC(OC)C(=O)NCCCF 1626a_100015189416_100000747056 [0,2,0,0,0,0|2,0,0]=4 6505 B11R0.157 CCC(OC)C(=O)NCCCF 240690a_100015189416_100000747056 [0,2,0,0,0,0|2,0,0]=4 6506 B11R0.157 CCC(OC)C(=O)NCCCF 527a_100015189416_100000747056 [0,2,0,0,0,0|2,0,0]=4 6507 B11R0.157 CCC(OC)C(=O)NCCCO 240690a_100000182051_100000747056 [0,2,0,0,0,0|2,0,0]=4 6508 B11R0.157 CCC(OC)C(=O)NCCCO 527a_100000182051_100000747056 [0,2,0,0,0,0|2,0,0]=4 6509 B11R0.157 CCC(OC)C(=O)NCCOC 1626a_100000209980_100000747056 [0,2,0,0,0,0|2,0,0]=4 6510 B11R0.157 CCC(OC)C(=O)NCCOC 240690a_100000209980_100000747056 [0,2,0,0,0,0|2,0,0]=4 6511 B11R0.157 CCC(OC)C(=O)NCCOC 527a_100000209980_100000747056 [0,2,0,0,0,0|2,0,0]=4 6512 B11R0.157 CCC(OC)C(=O)NCCSC 11a_100020590264_100000747056 [0,2,0,0,0,0|2,0,0]=4 6513 B11R0.157 CCC(OC)C(=O)NCCSC 1626a_100020590264_100000747056 [0,2,0,0,0,0|2,0,0]=4 6514 B11R0.157 CCC(OC)C(=O)NCCSC 240690a_100020590264_100000747056 [0,2,0,0,0,0|2,0,0]=4 6515 B11R0.157 CCC(OC)C(=O)NCCSC 527a_100020590264_100000747056 [0,2,0,0,0,0|2,0,0]=4 6516 B11R0.157 CCCCCC(=O)C(CC)CC 1458a_100000211163_100000210326 [0,2,0,0,0,0|2,0,0]=4 6517 B11R0.157 CCCCCC(=O)C(CC)CC 1458a_100000212188_100000210505 [0,2,0,0,0,0|2,0,0]=4 6518 B11R0.157 CCCCCC(=O)C(CC)OC 1458a_100000747056_100000210326 [0,2,0,0,0,0|1,0,0]=3 6519 B11R0.157 CCCCCC(=O)C(OC)OC 1458a_100000046285_100000210326 [0,2,0,0,0,0|1,0,0]=3 6520 B11R0.157 CCCCNC(=O)C(CC)CC 11a_100000102301_100000211163 [0,2,0,0,0,0|2,0,0]=4 6521 B11R0.157 CCCCNC(=O)C(CC)CC 1626a_100000102301_100000211163 [0,2,0,0,0,0|2,0,0]=4 6522 B11R0.157 CCCCNC(=O)C(CC)CC 240690a_100000102301_100000211163 [0,2,0,0,0,0|2,0,0]=4 6523 B11R0.157 CCCCNC(=O)C(CC)CC 527a_100000102301_100000211163 [0,2,0,0,0,0|2,0,0]=4 6524 B11R0.157 CCCCNC(=O)C(CC)NC 2230a_106832991635_200011763471 [0,2,0,0,0,0|2,0,0]=4 6525 B11R0.157 CCCCNC(=O)C(CC)NC 7a_106832991635_200011763471 [0,2,0,0,0,0|2,0,0]=4 6526 B11R0.157 CCCCNC(=O)C(CC)OC 11a_100000102301_100000747056 [0,2,0,0,0,0|1,0,0]=3 6527 B11R0.157 CCCCNC(=O)C(CC)OC 1626a_100000102301_100000747056 [0,2,0,0,0,0|1,0,0]=3 6528 B11R0.157 CCCCNC(=O)C(CC)OC 240690a_100000102301_100000747056 [0,2,0,0,0,0|1,0,0]=3 6529 B11R0.157 CCCCNC(=O)C(CC)OC 527a_100000102301_100000747056 [0,2,0,0,0,0|1,0,0]=3 6530 B11R0.157 CCCCNC(=O)C(CC)SC 62a_200000210301_200011763471 [0,2,0,0,0,0|1,1,0]=4 6531 B11R0.157 CCCCNC(=O)C(CC)SC 62a_200011763471_200000210301 [0,2,0,0,0,0|1,1,0]=4 6532 B11R0.157 CCCCNC(=O)C(CC)S[13CH3] 62a_200011763471_200025704644 [0,2,0,0,0,0|1,1,0]=4 6533 B11R0.157 CCCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763471 [0,2,0,0,0,0|1,1,0]=4 6534 B11R0.157 CCCCNC(=O)C(OC)OC 11a_100000102301_100000046285 [0,2,0,0,0,0|1,0,0]=3 6535 B11R0.157 CCCCNC(=O)C(OC)OC 240690a_100000102301_100000046285 [0,2,0,0,0,0|1,0,0]=3 6536 B11R0.157 CCCCNC(=O)C(OC)OC 527a_100000102301_100000046285 [0,2,0,0,0,0|1,0,0]=3 6537 B11R0.157 CCCCOC(=O)[C@H](CC)OC 34a_100020628826_200000210301 [0,2,0,0,0,0|0,0,0]=2 6538 B11R0.157 CCCCOC(=O)[C@H](CC)OC 7a_100020628826_200000210301 [0,2,0,0,0,0|0,0,0]=2 6539 B11R0.157 CCCCOC(=O)[C@H](CC)O[13CH3] 34a_100020628826_200025704644 [0,2,0,0,0,0|0,0,0]=2 6540 B11R0.157 CCCCOC(=O)[C@H](CC)O[13CH3] 7a_100020628826_200025704644 [0,2,0,0,0,0|0,0,0]=2 6541 B11R0.157 CCCCOC(C)C(OC)OC 34a_100000210227_100011222894 [0,2,0,0,0,0|1,0,1]=4 6542 B11R0.157 CCCCOC(C)C(OC)OC 34a_100000754440_100000210210 [0,2,0,0,0,0|1,0,1]=4 6543 B11R0.157 CCCCOC(C)C(OC)OC 7a_100000754440_100000210211 [0,2,0,0,0,0|1,0,1]=4 6544 B11R0.157 CCCNNC(=O)C(CC)OC 22a_100000740057_100000747056 [0,2,0,0,0,0|2,0,0]=4 6545 B11R0.157 CCCNNC(=O)C(OC)OC 22a_100000740057_100000046285 [0,2,0,0,0,0|2,0,0]=4 6546 B11R0.157 CCNCOC(=O)C(CC)CC 2230a_100015525214_100000140015 [0,2,0,0,0,0|2,0,0]=4 6547 B11R0.157 CCOCCC(=O)C(CC)OC 1458a_100000747056_100011215890 [0,2,0,0,0,0|2,0,0]=4 6548 B11R0.157 CCOCCC(=O)C(OC)OC 1458a_100000046285_100011215890 [0,2,0,0,0,0|2,0,0]=4 6549 B11R0.157 CCOCOC(=O)C(CC)CC 34a_100121572206_100000140015 [0,2,0,0,0,0|2,0,0]=4 6550 B11R0.157 CCSCCC(=O)C(CC)OC 1458a_100000747056_100000757381 [0,2,0,0,0,0|2,0,0]=4 6551 B11R0.157 CCSCCC(=O)C(OC)OC 1458a_100000046285_100000757381 [0,2,0,0,0,0|2,0,0]=4 6552 B11R0.157 CCSCOC(=O)C(CC)CC 62a_100000140015_100000210202 [0,2,0,0,0,0|2,0,0]=4 6553 B11R0.157 CCSCOC(=O)C(CC)CC 62a_100000210202_100000140015 [0,2,0,0,0,0|2,0,0]=4 6554 B11R0.157 COC(OC)C(=O)CCCCF 1458a_100000046285_100000729493 [0,2,0,0,0,0|2,0,0]=4 6555 B11R0.157 COC(OC)C(=O)CCCCO 1458a_100000046285_100000210776 [0,2,0,0,0,0|2,0,0]=4 6556 B11R0.157 COC(OC)C(=O)NCCCF 11a_100015189416_100000046285 [0,2,0,0,0,0|2,0,0]=4 6557 B11R0.157 COC(OC)C(=O)NCCCF 240690a_100015189416_100000046285 [0,2,0,0,0,0|2,0,0]=4 6558 B11R0.157 COC(OC)C(=O)NCCCF 527a_100015189416_100000046285 [0,2,0,0,0,0|2,0,0]=4 6559 B11R0.157 COC(OC)C(=O)NCCCO 240690a_100000182051_100000046285 [0,2,0,0,0,0|2,0,0]=4 6560 B11R0.157 COC(OC)C(=O)NCCCO 527a_100000182051_100000046285 [0,2,0,0,0,0|2,0,0]=4 6561 B11R0.157 COC(OC)C(=O)NCCSC 11a_100020590264_100000046285 [0,2,0,0,0,0|2,0,0]=4 6562 B11R0.157 COC(OC)C(=O)NCCSC 240690a_100020590264_100000046285 [0,2,0,0,0,0|2,0,0]=4 6563 B11R0.157 COC(OC)C(=O)NCCSC 527a_100020590264_100000046285 [0,2,0,0,0,0|2,0,0]=4 6564 B11R0.157 COCCCC(=O)C(OC)OC 1458a_100000046285_100000740836 [0,2,0,0,0,0|2,0,0]=4 6565 B11R0.157 COCCNC(=O)C(OC)OC 240690a_100000209980_100000046285 [0,2,0,0,0,0|2,0,0]=4 6566 B11R0.157 COCCNC(=O)C(OC)OC 527a_100000209980_100000046285 [0,2,0,0,0,0|2,0,0]=4 6567 B11R0.153 CCCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210211 [0,2,0,0,0,0|1,0,1]=4 6568 B11R0.153 CCCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210211 [0,2,0,0,0,0|1,0,1]=4 6569 B11R0.153 CCCCOC(C(=O)N)C(C)C 34a_100000210227_100000230017 [0,2,0,0,0,0|1,0,1]=4 6570 B11R0.153 CCCCOC(C(=O)N)C(C)C 7a_100000210227_100000230017 [0,2,0,0,0,0|1,0,1]=4 6571 B11R0.318 CC(C)(C)CCNC(=O)C(O)O 240690a_100000738805_100000233687 [0,2,0,0,0,0|2,0,0]=4 6572 B11R0.318 CC(C)(F)CCNC(=O)C(O)O 240690a_100016253952_100000233687 [0,2,0,0,0,0|2,0,0]=4 6573 B11R0.318 CC(C)C(=O)NCCC(C)(C)C 11a_100000738805_100000210198 [0,2,0,0,0,0|2,0,0]=4 6574 B11R0.318 CC(C)C(=O)NCCC(C)(C)C 1626a_100000738805_100000210198 [0,2,0,0,0,0|2,0,0]=4 6575 B11R0.318 CC(C)C(=O)NCCC(C)(C)C 240690a_100000738805_100000210198 [0,2,0,0,0,0|2,0,0]=4 6576 B11R0.318 CC(C)C(=O)NCCC(C)(C)C 527a_100000738805_100000210198 [0,2,0,0,0,0|2,0,0]=4 6577 B11R0.318 CC(C)C(=O)NCCC(C)(C)F 11a_100016253952_100000210198 [0,2,0,0,0,0|2,0,0]=4 6578 B11R0.318 CC(C)C(=O)NCCC(C)(C)F 1626a_100016253952_100000210198 [0,2,0,0,0,0|2,0,0]=4 6579 B11R0.318 CC(C)C(=O)NCCC(C)(C)F 240690a_100016253952_100000210198 [0,2,0,0,0,0|2,0,0]=4 6580 B11R0.318 CC(C)C(=O)NCCC(C)(C)F 527a_100016253952_100000210198 [0,2,0,0,0,0|2,0,0]=4 6581 B11R0.318 CC(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100000210198 [0,2,0,0,0,0|2,0,0]=4 6582 B11R0.318 CC(C)C(=O)NCCC(C)(C)O 527a_100000707701_100000210198 [0,2,0,0,0,0|2,0,0]=4 6583 B11R0.318 CC(C)C(=O)OCSC(C)(C)C 62a_100000139345_100000211941 [0,2,0,0,0,0|2,0,0]=4 6584 B11R0.318 CC(C)C(=O)OCSC(C)(C)C 62a_100000211941_100000139345 [0,2,0,0,0,0|2,0,0]=4 6585 B11R0.318 CC(F)C(=O)NCCC(C)(C)C 11a_100000738805_100000062450 [0,2,0,0,0,0|2,0,0]=4 6586 B11R0.318 CC(F)C(=O)NCCC(C)(C)C 1626a_100000738805_100000062450 [0,2,0,0,0,0|2,0,0]=4 6587 B11R0.318 CC(F)C(=O)NCCC(C)(C)C 240690a_100000738805_100000062450 [0,2,0,0,0,0|2,0,0]=4 6588 B11R0.318 CC(F)C(=O)NCCC(C)(C)C 527a_100000738805_100000062450 [0,2,0,0,0,0|2,0,0]=4 6589 B11R0.318 CC(F)C(=O)NCCC(C)(C)F 11a_100016253952_100000062450 [0,2,0,0,0,0|2,0,0]=4 6590 B11R0.318 CC(F)C(=O)NCCC(C)(C)F 1626a_100016253952_100000062450 [0,2,0,0,0,0|2,0,0]=4 6591 B11R0.318 CC(F)C(=O)NCCC(C)(C)F 240690a_100016253952_100000062450 [0,2,0,0,0,0|2,0,0]=4 6592 B11R0.318 CC(F)C(=O)NCCC(C)(C)F 527a_100016253952_100000062450 [0,2,0,0,0,0|2,0,0]=4 6593 B11R0.318 CC(F)C(=O)NCCC(C)(C)O 1626a_100000707701_100000062450 [0,2,0,0,0,0|2,0,0]=4 6594 B11R0.318 CC(F)C(=O)NCCC(C)(C)O 527a_100000707701_100000062450 [0,2,0,0,0,0|2,0,0]=4 6595 B11R0.318 C[C@@H](O)C(=O)CCCC(F)(F)F 1458a_100000717761_100011216173 [0,2,0,0,0,0|2,0,0]=4 6596 B11R0.318 C[C@@H](O)C(=O)CCCS(=O)(=O)C 1458a_100000717761_100000754308 [0,2,0,0,0,0|2,0,0]=4 6597 B11R0.318 C[C@@H](O)C(=O)CCC[N+](C)(C)C 1458a_100000717761_100016990835 [0,2,0,0,0,0|2,0,0]=4 6598 B11R0.318 C[C@@H](O)C(=O)CCC[Si](C)(C)C 1458a_100000717761_100011219597 [0,2,0,0,0,0|1,1,0]=4 6599 B11R0.318 C[C@@H](O)C(=O)NCCC(C)(C)C 240690a_100000738805_100000717761 [0,2,0,0,0,0|1,0,0]=3 6600 B11R0.318 C[C@@H](O)C(=O)NCCC(C)(C)F 240690a_100016253952_100000717761 [0,2,0,0,0,0|1,0,0]=3 6601 B11R0.318 C[C@@H](O)C(=O)NCCC(F)(F)F 240690a_100000740434_100000717761 [0,2,0,0,0,0|2,0,0]=4 6602 B11R0.318 C[C@@H](O)C(=O)NCCS(=O)(=O)C 240690a_100000740961_100000717761 [0,2,0,0,0,0|2,0,0]=4 6603 B11R0.318 C[C@@H](O)C(=O)NCC[N+](C)(C)C 240690a_100000106457_100000717761 [0,2,0,0,0,0|2,0,0]=4 6604 B11R0.318 C[C@H](O)C(=O)CCCC(F)(F)F 1458a_217856618621_100011216173 [0,2,0,0,0,0|2,0,0]=4 6605 B11R0.318 C[C@H](O)C(=O)CCCS(=O)(=O)C 1458a_217856618621_100000754308 [0,2,0,0,0,0|2,0,0]=4 6606 B11R0.318 C[C@H](O)C(=O)CCC[N+](C)(C)C 1458a_217856618621_100016990835 [0,2,0,0,0,0|2,0,0]=4 6607 B11R0.318 C[C@H](O)C(=O)CCC[Si](C)(C)C 1458a_217856618621_100011219597 [0,2,0,0,0,0|1,1,0]=4 6608 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)C 1626a_100000738805_217856618621 [0,2,0,0,0,0|1,0,0]=3 6609 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)C 240690a_100000738805_217856618621 [0,2,0,0,0,0|1,0,0]=3 6610 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)F 1626a_100016253952_217856618621 [0,2,0,0,0,0|1,0,0]=3 6611 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)F 240690a_100016253952_217856618621 [0,2,0,0,0,0|1,0,0]=3 6612 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)O 1626a_100000707701_217856618621 [0,2,0,0,0,0|1,0,0]=3 6613 B11R0.318 C[C@H](O)C(=O)NCCC(F)(F)F 1626a_100000740434_217856618621 [0,2,0,0,0,0|2,0,0]=4 6614 B11R0.318 C[C@H](O)C(=O)NCCC(F)(F)F 240690a_100000740434_217856618621 [0,2,0,0,0,0|2,0,0]=4 6615 B11R0.318 C[C@H](O)C(=O)NCCS(=O)(=O)C 1626a_100000740961_217856618621 [0,2,0,0,0,0|2,0,0]=4 6616 B11R0.318 C[C@H](O)C(=O)NCCS(=O)(=O)C 240690a_100000740961_217856618621 [0,2,0,0,0,0|2,0,0]=4 6617 B11R0.318 C[C@H](O)C(=O)NCC[N+](C)(C)C 1626a_100000106457_217856618621 [0,2,0,0,0,0|2,0,0]=4 6618 B11R0.318 C[C@H](O)C(=O)NCC[N+](C)(C)C 240690a_100000106457_217856618621 [0,2,0,0,0,0|2,0,0]=4 6619 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [1,0,0,1,0,0|2,0,0]=4 6620 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [1,0,0,1,0,0|2,0,0]=4 6621 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [1,0,0,1,0,0|2,0,0]=4 6622 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [1,0,0,1,0,0|2,0,0]=4 6623 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [1,0,0,1,0,0|2,0,0]=4 6624 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [1,0,0,1,0,0|2,0,0]=4 6625 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [1,0,0,1,0,0|2,0,0]=4 6626 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [1,0,0,1,0,0|2,0,0]=4 6627 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [1,0,0,1,0,0|2,0,0]=4 6628 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [1,0,0,1,0,0|2,0,0]=4 6629 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 6630 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 6631 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 6632 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 6633 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 6634 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 6635 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,1,0,0|2,0,0]=4 6636 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [1,0,0,1,0,0|2,0,0]=4 6637 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [1,0,0,1,0,0|2,0,0]=4 6638 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [1,0,0,1,0,0|2,0,0]=4 6639 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [1,0,0,1,0,0|2,0,0]=4 6640 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [1,0,0,1,0,0|2,0,0]=4 6641 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [1,0,0,1,0,0|2,0,0]=4 6642 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [1,0,0,1,0,0|2,0,0]=4 6643 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [1,0,0,1,0,0|2,0,0]=4 6644 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [1,0,0,1,0,0|2,0,0]=4 6645 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [1,0,0,1,0,0|2,0,0]=4 6646 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [1,0,0,1,0,0|2,0,0]=4 6647 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [1,0,0,1,0,0|2,0,0]=4 6648 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [1,0,0,1,0,0|2,0,0]=4 6649 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [1,0,0,1,0,0|2,0,0]=4 6650 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [1,0,0,1,0,0|2,0,0]=4 6651 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [1,0,0,1,0,0|2,0,0]=4 6652 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [1,0,0,1,0,0|2,0,0]=4 6653 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [1,0,0,1,0,0|2,0,0]=4 6654 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [1,0,0,1,0,0|2,0,0]=4 6655 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [1,0,0,1,0,0|2,0,0]=4 6656 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [1,0,0,1,0,0|2,0,0]=4 6657 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [1,0,0,1,0,0|2,0,0]=4 6658 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [1,0,0,1,0,0|2,0,0]=4 6659 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [1,0,0,1,0,0|2,0,0]=4 6660 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [1,0,0,1,0,0|2,0,0]=4 6661 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [1,0,0,1,0,0|2,0,0]=4 6662 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [1,0,0,1,0,0|2,0,0]=4 6663 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [1,0,0,1,0,0|2,0,0]=4 6664 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [1,0,0,1,0,0|2,0,0]=4 6665 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [1,0,0,1,0,0|2,0,0]=4 6666 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [1,0,0,1,0,0|1,0,1]=4 6667 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,0,0,1,0,0|1,0,0]=3 6668 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,0,0,1,0,0|1,0,0]=3 6669 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,0,0,1,0,0|2,0,0]=4 6670 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,0,0,1,0,0|2,0,0]=4 6671 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,0,0,1,0,0|2,0,0]=4 6672 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [1,0,0,1,0,0|1,0,0]=3 6673 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [1,0,0,1,0,0|1,0,0]=3 6674 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 6675 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 6676 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 6677 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,0,0,1,0,0|2,0,0]=4 6678 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [1,0,0,1,0,0|2,0,0]=4 6679 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [1,0,0,1,0,0|2,0,0]=4 6680 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [1,0,0,1,0,0|2,0,0]=4 6681 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [1,0,0,1,0,0|2,0,0]=4 6682 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [1,0,0,1,0,0|2,0,0]=4 6683 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [1,0,0,1,0,0|2,0,0]=4 6684 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [1,0,0,1,0,0|2,0,0]=4 6685 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,0,0,1,0,0|1,0,0]=3 6686 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [1,0,0,1,0,0|2,0,0]=4 6687 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [1,0,0,1,0,0|1,0,0]=3 6688 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [1,0,0,1,0,0|1,0,0]=3 6689 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [1,0,0,1,0,0|2,0,0]=4 6690 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [1,0,0,1,0,0|2,0,0]=4 6691 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [1,0,0,1,0,0|1,0,1]=4 6692 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [1,0,0,1,0,0|1,0,1]=4 6693 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [1,0,0,1,0,0|1,0,1]=4 6694 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [1,0,0,1,0,0|1,0,1]=4 6695 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [1,0,0,1,0,0|2,0,0]=4 6696 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [1,0,0,1,0,0|2,0,0]=4 6697 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [1,0,0,1,0,0|2,0,0]=4 6698 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [1,0,0,1,0,0|2,0,0]=4 6699 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [1,0,0,1,0,0|2,0,0]=4 6700 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [1,0,0,1,0,0|2,0,0]=4 6701 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [1,0,0,1,0,0|2,0,0]=4 6702 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [1,0,0,1,0,0|2,0,0]=4 6703 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [1,0,0,1,0,0|2,0,0]=4 6704 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 6705 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 6706 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 6707 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 6708 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 6709 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 6710 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 6711 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 6712 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 6713 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 6714 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210174 [1,0,0,1,0,0|2,0,0]=4 6715 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210174 [1,0,0,1,0,0|2,0,0]=4 6716 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210174 [1,0,0,1,0,0|2,0,0]=4 6717 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 527a_100025746932_100000210174 [1,0,0,1,0,0|2,0,0]=4 6718 B9R1.79 CC(CO)OC1CCC1 34a_100000748187_100012180447 [1,0,0,1,0,0|1,0,1]=4 6719 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [1,0,0,1,0,0|1,0,1]=4 6720 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [1,0,0,1,0,0|1,0,0]=3 6721 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [1,0,0,1,0,0|1,0,0]=3 6722 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [1,0,0,1,0,0|2,0,0]=4 6723 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [1,0,0,1,0,0|2,0,0]=4 6724 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [1,0,0,1,0,0|2,0,0]=4 6725 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [1,0,0,1,0,0|2,0,0]=4 6726 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 6727 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 6728 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 6729 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 6730 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 6731 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 6732 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 6733 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 6734 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 6735 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 6736 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 6737 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 6738 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [1,0,0,1,0,0|1,0,1]=4 6739 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [1,0,0,1,0,0|2,0,0]=4 6740 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [1,0,0,1,0,0|2,0,0]=4 6741 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [1,0,0,1,0,0|2,0,0]=4 6742 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [1,0,0,1,0,0|2,0,0]=4 6743 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [1,0,0,1,0,0|2,0,0]=4 6744 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [1,0,0,1,0,0|2,0,0]=4 6745 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [1,0,0,1,0,0|2,0,0]=4 6746 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [1,0,0,1,0,0|2,0,0]=4 6747 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [1,0,0,1,0,0|2,0,0]=4 6748 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [1,0,0,1,0,0|2,0,0]=4 6749 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [1,0,0,1,0,0|1,0,0]=3 6750 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [1,0,0,1,0,0|2,0,0]=4 6751 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [1,0,0,1,0,0|2,0,0]=4 6752 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [1,0,0,1,0,0|1,0,0]=3 6753 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [1,0,0,1,0,0|1,0,0]=3 6754 B9R1.79 O=C(CO)NC1COC1 240690a_100016991112_100000210174 [1,0,0,1,0,0|2,0,0]=4 6755 B9R1.79 O=C(CO)NC1COC1 527a_100016991112_100000210174 [1,0,0,1,0,0|2,0,0]=4 6756 B9R1.79 O=C(CO)NC1CSC1 240690a_100016994217_100000210174 [1,0,0,1,0,0|2,0,0]=4 6757 B9R1.79 O=C(CO)NC1CSC1 527a_100016994217_100000210174 [1,0,0,1,0,0|2,0,0]=4 6758 B9R1.80 CC(CO)OCC1CC1 34a_100000211283_100012180447 [1,0,0,1,0,0|1,0,1]=4 6759 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [1,0,0,1,0,0|1,0,1]=4 6760 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [1,0,0,1,0,0|1,0,0]=3 6761 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [1,0,0,1,0,0|1,0,0]=3 6762 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [1,0,0,1,0,0|2,0,0]=4 6763 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [1,0,0,1,0,0|2,0,0]=4 6764 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [1,0,0,1,0,0|2,0,0]=4 6765 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 6766 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 6767 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 6768 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 6769 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [1,0,0,1,0,0|2,0,0]=4 6770 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [1,0,0,1,0,0|1,0,1]=4 6771 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [1,0,0,1,0,0|1,0,1]=4 6772 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [1,0,0,1,0,0|2,0,0]=4 6773 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [1,0,0,1,0,0|2,0,0]=4 6774 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [1,0,0,1,0,0|2,0,0]=4 6775 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [1,0,0,1,0,0|2,0,0]=4 6776 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [1,0,0,1,0,0|2,0,0]=4 6777 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 6778 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 6779 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 6780 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 6781 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [1,0,0,1,0,0|2,0,0]=4 6782 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [1,0,0,1,0,0|2,0,0]=4 6783 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [1,0,0,1,0,0|1,0,0]=3 6784 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [1,0,0,1,0,0|2,0,0]=4 6785 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [1,0,0,1,0,0|1,0,0]=3 6786 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [1,0,0,1,0,0|1,0,0]=3 6787 B9R1.80 O=C(CO)NNC1CC1 22a_100000701032_100000210174 [1,0,0,1,0,0|2,0,0]=4 6788 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [1,0,0,1,0,0|1,0,0]=3 6789 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [1,0,0,1,0,0|1,0,0]=3 6790 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 6791 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 6792 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 6793 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 6794 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 6795 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [1,0,0,1,0,0|1,0,0]=3 6796 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [1,0,0,1,0,0|2,0,0]=4 6797 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [1,0,0,1,0,0|2,0,0]=4 6798 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [1,0,0,1,0,0|2,0,0]=4 6799 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [1,0,0,1,0,0|2,0,0]=4 6800 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [1,0,0,1,0,0|2,0,0]=4 6801 B9R1.99 CCCCOC1(CC1)C 7a_100011725673_100000210211 [1,0,0,1,0,0|1,0,1]=4 6802 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [1,0,0,1,0,0|1,0,1]=4 6803 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [1,0,0,1,0,0|1,0,1]=4 6804 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [1,0,0,1,0,0|1,0,1]=4 6805 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [1,0,0,1,0,0|1,0,1]=4 6806 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [1,0,0,1,0,0|1,0,1]=4 6807 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [1,0,0,1,0,0|1,0,1]=4 6808 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [1,0,0,1,0,0|1,0,1]=4 6809 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [1,0,0,1,0,0|1,0,1]=4 6810 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [1,0,0,1,0,0|1,0,1]=4 6811 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [1,0,0,1,0,0|1,0,1]=4 6812 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [1,0,0,1,0,0|1,0,1]=4 6813 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [1,0,0,1,0,0|1,0,1]=4 6814 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [1,0,0,1,0,0|1,0,1]=4 6815 B9R1.83 BrCCCOCC1CO1 34a_100011217188_102125554688 [1,0,0,1,0,0|1,0,1]=4 6816 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [1,0,0,1,0,0|1,0,1]=4 6817 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [1,0,0,1,0,0|1,0,1]=4 6818 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [1,0,0,1,0,0|1,0,1]=4 6819 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [1,0,0,1,0,0|1,0,1]=4 6820 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [1,0,0,1,0,0|1,0,1]=4 6821 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [1,0,0,1,0,0|1,0,1]=4 6822 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [1,0,0,1,0,0|0,0,1]=3 6823 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [1,0,0,1,0,0|0,0,1]=3 6824 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [1,0,0,1,0,0|0,1,1]=4 6825 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [1,0,0,1,0,0|0,0,1]=3 6826 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [1,0,0,1,0,0|0,0,1]=3 6827 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [1,0,0,1,0,0|0,1,1]=4 6828 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [1,0,0,1,0,0|0,1,1]=4 6829 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [1,0,0,1,0,0|0,1,1]=4 6830 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [1,0,0,1,0,0|0,1,1]=4 6831 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [1,0,0,1,0,0|1,0,1]=4 6832 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [1,0,0,1,0,0|1,0,1]=4 6833 B9R1.83 CSCCOCC1CO1 34a_100000230434_102125554688 [1,0,0,1,0,0|1,0,1]=4 6834 B9R1.83 CSCCOCC1CO1 7a_100000230434_102125554688 [1,0,0,1,0,0|1,0,1]=4 6835 B9R1.83 CSCCOC[C@@H]1CO1 34a_100000757423_100000212216 [1,0,0,1,0,0|1,0,1]=4 6836 B9R1.83 CSCCOC[C@@H]1CO1 7a_100000230434_100000745022 [1,0,0,1,0,0|1,0,1]=4 6837 B9R1.83 ClCCCOCC1CO1 34a_100000230001_102125554688 [1,0,0,1,0,0|1,0,1]=4 6838 B9R1.83 FCCCOCC1CO1 34a_100000759539_102125554688 [1,0,0,1,0,0|1,0,1]=4 6839 B9R1.83 FCCCOC[C@@H]1CO1 34a_100000757423_100011934791 [1,0,0,1,0,0|1,0,1]=4 6840 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [1,0,0,1,0,0|1,0,1]=4 6841 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [1,0,0,1,0,0|1,0,1]=4 6842 B9R1.84 CC(Br)COC1CCC1 34a_100012180447_100000749161 [1,0,0,1,0,0|1,0,1]=4 6843 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [1,0,0,1,0,0|1,0,1]=4 6844 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [1,0,0,1,0,0|1,0,1]=4 6845 B9R1.84 CC(F)COC1CCC1 34a_100015925927_100000749161 [1,0,0,1,0,0|1,0,1]=4 6846 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [1,0,0,1,0,0|1,0,1]=4 6847 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [1,0,0,1,0,0|1,0,1]=4 6848 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [1,0,0,1,0,0|1,0,1]=4 6849 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [1,0,0,1,0,0|1,0,1]=4 6850 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [1,0,0,1,0,0|0,0,1]=3 6851 B9R1.84 CC(O)COC1CSC1 7a_100000072292_100011218427 [1,0,0,1,0,0|1,0,1]=4 6852 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [1,0,0,1,0,0|0,1,1]=4 6853 B9R1.84 C[C@@H](Cl)COC1CCC1 34a_100016084084_100000749161 [1,0,0,1,0,0|1,0,1]=4 6854 B9R1.84 C[C@@H](N)COC1CCC1 34a_100000737577_100000749161 [1,0,0,1,0,0|1,0,1]=4 6855 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [1,0,0,1,0,0|1,0,1]=4 6856 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [1,0,0,1,0,0|1,0,1]=4 6857 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [1,0,0,1,0,0|0,0,1]=3 6858 B9R1.84 C[C@@H](O)COC1CSC1 7a_100000072292_100009817552 [1,0,0,1,0,0|1,0,1]=4 6859 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [1,0,0,1,0,0|0,1,1]=4 6860 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [1,0,0,1,0,0|1,0,1]=4 6861 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [1,0,0,1,0,0|1,0,1]=4 6862 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [1,0,0,1,0,0|1,0,1]=4 6863 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [1,0,0,1,0,0|1,0,1]=4 6864 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [1,0,0,1,0,0|1,0,1]=4 6865 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [1,0,0,1,0,0|1,0,1]=4 6866 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [1,0,0,1,0,0|1,0,1]=4 6867 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [1,0,0,1,0,0|1,0,1]=4 6868 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [1,0,0,1,0,0|1,0,1]=4 6869 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [1,0,0,1,0,0|0,0,1]=3 6870 B9R1.85 CC(O)COC[C@@H]1CO1 34a_100000757423_100011218427 [1,0,0,1,0,0|1,0,1]=4 6871 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [1,0,0,1,0,0|0,1,1]=4 6872 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [1,0,0,1,0,0|0,1,1]=4 6873 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [1,0,0,1,0,0|1,0,1]=4 6874 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [1,0,0,1,0,0|1,0,1]=4 6875 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [1,0,0,1,0,0|1,0,1]=4 6876 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [1,0,0,1,0,0|1,0,1]=4 6877 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [1,0,0,1,0,0|0,0,1]=3 6878 B9R1.85 C[C@@H](O)COC[C@@H]1CO1 34a_100000757423_100009817552 [1,0,0,1,0,0|1,0,1]=4 6879 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [1,0,0,1,0,0|0,1,1]=4 6880 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [1,0,0,1,0,0|0,1,1]=4 6881 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [1,0,0,1,0,0|1,0,0]=3 6882 B9R1.45 CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210206 [1,0,0,1,0,0|2,0,0]=4 6883 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [1,0,0,1,0,0|2,0,0]=4 6884 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [1,0,0,1,0,0|2,0,0]=4 6885 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [1,0,0,1,0,0|2,0,0]=4 6886 B9R1.100 C#CCCC(=O)C1CO1 1458a_100000701028_100000753159 [1,0,0,1,0,0|0,0,2]=4 6887 B9R1.100 C/C=C/CC(=O)C1CO1 1458a_100000701028_100102629194 [1,0,0,1,0,0|0,0,2]=4 6888 B9R1.100 C=CCCC(=O)C1CO1 1458a_100000701028_100000754431 [1,0,0,1,0,0|0,0,2]=4 6889 B9R1.100 CC#CCC(=O)C1CO1 1458a_100000701028_100000748600 [1,0,0,1,0,0|0,0,2]=4 6890 B9R1.100 CC=CCC(=O)C1CO1 1458a_100000701028_100000070051 [1,0,0,1,0,0|0,0,2]=4 6891 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [1,0,0,1,0,0|1,0,0]=3 6892 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [1,0,0,1,0,0|0,0,0]=2 6893 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 6894 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 6895 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 6896 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 6897 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [1,0,0,1,0,0|1,0,0]=3 6898 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [1,0,0,1,0,0|1,0,0]=3 6899 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [1,0,0,1,0,0|1,0,0]=3 6900 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [1,0,0,1,0,0|1,0,0]=3 6901 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [1,0,0,1,0,0|2,0,0]=4 6902 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [1,0,0,1,0,0|2,0,0]=4 6903 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [1,0,0,1,0,0|2,0,0]=4 6904 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [1,0,0,1,0,0|2,0,0]=4 6905 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [1,0,0,1,0,0|2,0,0]=4 6906 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [1,0,0,1,0,0|2,0,0]=4 6907 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [1,0,0,1,0,0|2,0,0]=4 6908 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [1,0,0,1,0,0|2,0,0]=4 6909 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [1,0,0,1,0,0|2,0,0]=4 6910 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [1,0,0,1,0,0|1,0,0]=3 6911 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [1,0,0,1,0,0|2,0,0]=4 6912 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [1,0,0,1,0,0|2,0,0]=4 6913 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [1,0,0,1,0,0|1,0,0]=3 6914 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [1,0,0,1,0,0|2,0,0]=4 6915 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [1,0,0,1,0,0|2,0,0]=4 6916 B9R1.100 N#CCCC(=O)C1CO1 1458a_100000701028_100011215226 [1,0,0,1,0,0|1,0,1]=4 6917 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [1,0,0,1,0,0|2,0,0]=4 6918 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [1,0,0,1,0,0|1,0,0]=3 6919 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [1,0,0,1,0,0|2,0,0]=4 6920 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [1,0,0,1,0,0|1,0,0]=3 6921 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [1,0,0,1,0,0|2,0,0]=4 6922 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [1,0,0,1,0,0|2,0,0]=4 6923 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [1,0,0,1,0,0|2,0,0]=4 6924 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [1,0,0,1,0,0|2,0,0]=4 6925 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [1,0,0,1,0,0|2,0,0]=4 6926 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [1,0,0,1,0,0|2,0,0]=4 6927 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [1,0,0,1,0,0|2,0,0]=4 6928 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [1,0,0,1,0,0|2,0,0]=4 6929 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [1,0,0,1,0,0|1,0,1]=4 6930 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [1,0,0,1,0,0|1,0,0]=3 6931 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [1,0,0,1,0,0|1,0,0]=3 6932 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [1,0,0,1,0,0|2,0,0]=4 6933 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [1,0,0,1,0,0|2,0,0]=4 6934 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [1,0,0,1,0,0|2,0,0]=4 6935 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [1,0,0,1,0,0|2,0,0]=4 6936 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [1,0,0,1,0,0|2,0,0]=4 6937 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [1,0,0,1,0,0|2,0,0]=4 6938 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [1,0,0,1,0,0|1,0,0]=3 6939 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [1,0,0,1,0,0|2,0,0]=4 6940 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [1,0,0,1,0,0|2,0,0]=4 6941 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [1,0,0,1,0,0|2,0,0]=4 6942 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [1,0,0,1,0,0|2,0,0]=4 6943 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [1,0,0,1,0,0|2,0,0]=4 6944 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [1,0,0,1,0,0|2,0,0]=4 6945 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [1,0,0,1,0,0|2,0,0]=4 6946 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [1,0,0,1,0,0|2,0,0]=4 6947 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [1,0,0,1,0,0|0,0,0]=2 6948 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [1,0,0,1,0,0|1,0,0]=3 6949 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [1,0,0,1,0,0|1,0,0]=3 6950 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [1,0,0,1,0,0|0,0,0]=2 6951 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [1,0,0,1,0,0|1,0,0]=3 6952 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [1,0,0,1,0,0|1,0,0]=3 6953 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [1,0,0,1,0,0|1,0,0]=3 6954 B9R1.110 O=C(C(O)O)C1COC1 1458a_100000233687_100000687716 [1,0,0,1,0,0|2,0,0]=4 6955 B9R1.110 O=C(C(O)O)N1CCC1 240690a_100000754969_100000233687 [1,0,0,1,0,0|2,0,0]=4 6956 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [1,0,0,1,0,0|1,0,1]=4 6957 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [1,0,0,1,0,0|1,0,0]=3 6958 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [1,0,0,1,0,0|1,0,0]=3 6959 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [1,0,0,1,0,0|2,0,0]=4 6960 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [1,0,0,1,0,0|2,0,0]=4 6961 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [1,0,0,1,0,0|2,0,0]=4 6962 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [1,0,0,1,0,0|2,0,0]=4 6963 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [1,0,0,1,0,0|2,0,0]=4 6964 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [1,0,0,1,0,0|2,0,0]=4 6965 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [1,0,0,1,0,0|1,0,0]=3 6966 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [1,0,0,1,0,0|2,0,0]=4 6967 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [1,0,0,1,0,0|2,0,0]=4 6968 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [1,0,0,1,0,0|2,0,0]=4 6969 B9R1.112 CC(F)C(=O)NC1CC1 1626a_100000212008_100000062450 [1,0,0,1,0,0|2,0,0]=4 6970 B9R1.112 CC(F)C(=O)NC1CC1 240690a_100000212008_100000062450 [1,0,0,1,0,0|2,0,0]=4 6971 B9R1.112 CC(F)C(=O)NC1CC1 527a_100000212008_100000062450 [1,0,0,1,0,0|2,0,0]=4 6972 B9R1.112 CN(C)C(=O)CC1CC1 11a_100102631434_100000738066 [1,0,0,1,0,0|2,0,0]=4 6973 B9R1.112 CN(C)C(=O)CC1CC1 1626a_100102631434_100000738066 [1,0,0,1,0,0|2,0,0]=4 6974 B9R1.112 CN(C)C(=O)CC1CC1 240690a_100102631434_100000738066 [1,0,0,1,0,0|2,0,0]=4 6975 B9R1.112 CN(C)C(=O)CC1CC1 527a_100102631434_100000738066 [1,0,0,1,0,0|2,0,0]=4 6976 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [1,0,0,1,0,0|0,0,0]=2 6977 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [1,0,0,1,0,0|1,0,0]=3 6978 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [1,0,0,1,0,0|1,0,0]=3 6979 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [1,0,0,1,0,0|1,0,0]=3 6980 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [1,0,0,1,0,0|1,0,0]=3 6981 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [1,0,0,1,0,0|0,0,0]=2 6982 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [1,0,0,1,0,0|1,0,0]=3 6983 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [1,0,0,1,0,0|1,0,0]=3 6984 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [1,0,0,1,0,0|1,0,0]=3 6985 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [1,0,0,1,0,0|1,0,0]=3 6986 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [1,0,0,1,0,0|1,0,0]=3 6987 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [1,0,0,1,0,0|1,0,0]=3 6988 B9R1.112 O=C(CC1CO1)C(O)O 1458a_100000233687_100011216344 [1,0,0,1,0,0|2,0,0]=4 6989 B9R1.112 O=C(CC1CS1)C(O)O 1458a_100000233687_100000031435 [1,0,0,1,0,0|2,0,0]=4 6990 B9R1.112 O=C(C[C@@H]1CO1)C(O)O 1458a_100000233687_100000745022 [1,0,0,1,0,0|2,0,0]=4 6991 B9R1.112 O=C(NC1CC1)C(O)O 240690a_100000212008_100000233687 [1,0,0,1,0,0|2,0,0]=4 6992 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210554_100000179811 [0,0,0,1,0,1|2,0,0]=4 6993 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210718_100000210624 [0,0,0,1,0,1|2,0,0]=4 6994 B11R1.77 CC(C)CC(=O)N1CCCC1 240690a_100000188435_100000210554 [0,0,0,1,0,1|2,0,0]=4 6995 B11R1.77 CC(C)CC(=O)N1CCCC1 527a_100000188435_100000210554 [0,0,0,1,0,1|2,0,0]=4 6996 B11R1.77 CC(C)NC(=O)C1CCCC1 11a_100138425928_100000210718 [0,0,0,1,0,1|2,0,0]=4 6997 B11R1.77 CC(C)NC(=O)C1CCCC1 1626a_100138425928_100000210718 [0,0,0,1,0,1|2,0,0]=4 6998 B11R1.77 CC(C)NC(=O)C1CCCC1 240690a_100138425928_100000210718 [0,0,0,1,0,1|2,0,0]=4 6999 B11R1.77 CC(C)NC(=O)C1CCCC1 527a_100138425928_100000210718 [0,0,0,1,0,1|2,0,0]=4 7000 B11R1.77 CC(C)NC(=O)N1CCCC1 2708a_100138425928_100000188435 [0,0,0,1,0,1|2,0,0]=4 7001 B11R1.77 CC(C)NC(=O)N1CCCC1 273464a_100138425928_100000188435 [0,0,0,1,0,1|2,0,0]=4 7002 B11R1.77 CC(O)CC(=O)C1=CCCC1 1458a_100000038896_100011218427 [0,0,0,1,0,1|1,0,1]=4 7003 B11R1.77 CC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218427 [0,0,0,1,0,1|1,0,0]=3 7004 B11R1.77 CC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218427 [0,0,0,1,0,1|2,0,0]=4 7005 B11R1.77 CC(O)CC(=O)C1CCOC1 1458a_100011219752_100011218427 [0,0,0,1,0,1|2,0,0]=4 7006 B11R1.77 CC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218427 [0,0,0,1,0,1|2,0,0]=4 7007 B11R1.77 C[C@@H](O)CC(=O)C1CCCC1 1458a_100011933948_100000179811 [0,0,0,1,0,1|1,0,0]=3 7008 B11R1.77 C[C@@H](O)CC(=O)C1CCOC1 1458a_100011933948_100000690089 [0,0,0,1,0,1|2,0,0]=4 7009 B11R1.77 C[C@@H](O)CC(=O)N1CCCC1 240690a_100000188435_100011933948 [0,0,0,1,0,1|1,0,0]=3 7010 B11R1.77 C[C@@H](O)CC(=O)N1CCSC1 240690a_100011215254_100011933948 [0,0,0,1,0,1|2,0,0]=4 7011 B11R1.106 C[C@@H](O)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011933948 [0,0,0,1,0,1|2,0,0]=4 7012 B11R1.106 C[C@@H](O)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011933948 [0,0,0,1,0,1|2,0,0]=4 7013 B11R1.141 CC(C)CC(=O)N1CCC1C 11a_100000755817_100000210554 [0,0,0,1,0,1|2,0,0]=4 7014 B11R1.141 CC(C)CC(=O)N1CCC1C 240690a_100000755817_100000210554 [0,0,0,1,0,1|2,0,0]=4 7015 B11R1.141 CC(C)CC(=O)N1CCC1C 527a_100000755817_100000210554 [0,0,0,1,0,1|2,0,0]=4 7016 B11R1.141 CC(C)NC(=O)N1CCC1C 2708a_100138425928_100000755817 [0,0,0,1,0,1|2,0,0]=4 7017 B11R1.141 CC(C)NC(=O)N1CCC1C 273464a_100138425928_100000755817 [0,0,0,1,0,1|2,0,0]=4 7018 B11R1.141 CC1CCN1C(=O)C[C@@H](C)O 240690a_100000755817_100011933948 [0,0,0,1,0,1|1,0,0]=3 7019 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,0,0,1,0,1|2,0,0]=4 7020 B11R1.257 CCC1CC1C(=O)CC(C)O 1458a_200011661523_100011218427 [0,0,0,1,0,1|1,0,0]=3 7021 B11R1.257 CCC1CC1C(=O)NC(C)C 11a_100138425928_200011661523 [0,0,0,1,0,1|2,0,0]=4 7022 B11R1.257 CCC1CC1C(=O)NC(C)C 1626a_100138425928_200011661523 [0,0,0,1,0,1|2,0,0]=4 7023 B11R1.257 CCC1CC1C(=O)NC(C)C 240690a_100138425928_200011661523 [0,0,0,1,0,1|2,0,0]=4 7024 B11R1.257 CCC1CC1C(=O)NC(C)C 527a_100138425928_200011661523 [0,0,0,1,0,1|2,0,0]=4 7025 B11R1.301 CCCC#CC(=O)CC1CO1 1458a_200011218047_100011216344 [0,0,0,1,0,1|1,0,1]=4 7026 B11R1.301 CCCC#CC(=O)C[C@@H]1CO1 1458a_200011218047_100000745022 [0,0,0,1,0,1|1,0,1]=4 7027 B11R1.301 CCCC=CC(=O)CC1CO1 1458a_100000212230_100011216344 [0,0,0,1,0,1|1,0,1]=4 7028 B11R1.301 CCCC=CC(=O)C[C@@H]1CO1 1458a_100000212230_100000745022 [0,0,0,1,0,1|1,0,1]=4 7029 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,0,0,1,0,1|2,0,0]=4 7030 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,0,0,1,0,1|2,0,0]=4 7031 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [0,0,0,1,0,1|1,0,0]=3 7032 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [0,0,0,1,0,1|1,1,0]=4 7033 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [0,0,0,1,0,1|1,0,0]=3 7034 B11R1.301 CCCCCC(=O)NC1CC1 1626a_100000212008_100000212188 [0,0,0,1,0,1|2,0,0]=4 7035 B11R1.301 CCCCCC(=O)NC1CC1 240690a_100000212008_100000212188 [0,0,0,1,0,1|2,0,0]=4 7036 B11R1.301 CCCCCC(=O)NC1CC1 527a_100000212008_100000212188 [0,0,0,1,0,1|2,0,0]=4 7037 B11R1.301 CCCCNC(=O)CC1CC1 11a_100000102301_100000738066 [0,0,0,1,0,1|2,0,0]=4 7038 B11R1.301 CCCCNC(=O)CC1CC1 1626a_100000102301_100000738066 [0,0,0,1,0,1|2,0,0]=4 7039 B11R1.301 CCCCNC(=O)CC1CC1 240690a_100000102301_100000738066 [0,0,0,1,0,1|2,0,0]=4 7040 B11R1.301 CCCCNC(=O)CC1CC1 527a_100000102301_100000738066 [0,0,0,1,0,1|2,0,0]=4 7041 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000102301_100000212008 [0,0,0,1,0,1|2,0,0]=4 7042 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000212008_100000102301 [0,0,0,1,0,1|2,0,0]=4 7043 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000102301_100000212008 [0,0,0,1,0,1|2,0,0]=4 7044 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000212008_100000102301 [0,0,0,1,0,1|2,0,0]=4 7045 B11R1.301 CCCCNC(=O)NC1CC1 512a_100000212008_100000102301 [0,0,0,1,0,1|2,0,0]=4 7046 B11R1.301 CCCOCC(=O)CC1CO1 1458a_100000745993_100011216344 [0,0,0,1,0,1|2,0,0]=4 7047 B11R1.301 CCCOCC(=O)C[C@@H]1CO1 1458a_100000745993_100000745022 [0,0,0,1,0,1|2,0,0]=4 7048 B11R1.301 CCCSCC(=O)CC1CO1 1458a_100000217233_100011216344 [0,0,0,1,0,1|2,0,0]=4 7049 B11R1.301 CCCSCC(=O)C[C@@H]1CO1 1458a_100000217233_100000745022 [0,0,0,1,0,1|2,0,0]=4 7050 B11R1.301 CCOCCC(=O)CC1CO1 1458a_100000749530_100011216344 [0,0,0,1,0,1|2,0,0]=4 7051 B11R1.301 CCOCCC(=O)C[C@@H]1CO1 1458a_100000749530_100000745022 [0,0,0,1,0,1|2,0,0]=4 7052 B11R1.301 CCSCCC(=O)CC1CO1 1458a_100000230768_100011216344 [0,0,0,1,0,1|2,0,0]=4 7053 B11R1.301 CCSCCC(=O)C[C@@H]1CO1 1458a_100000230768_100000745022 [0,0,0,1,0,1|2,0,0]=4 7054 B11R1.301 COCCCC(=O)CC1CO1 1458a_100000741012_100011216344 [0,0,0,1,0,1|2,0,0]=4 7055 B11R1.301 COCCCC(=O)C[C@@H]1CO1 1458a_100000741012_100000745022 [0,0,0,1,0,1|2,0,0]=4 7056 B11R1.301 CSCCCC(=O)CC1CO1 1458a_100000173376_100011216344 [0,0,0,1,0,1|2,0,0]=4 7057 B11R1.301 CSCCCC(=O)C[C@@H]1CO1 1458a_100000173376_100000745022 [0,0,0,1,0,1|2,0,0]=4 7058 B11R1.301 O=C(CCCCO)CC1CO1 1458a_100000695505_100011216344 [0,0,0,1,0,1|2,0,0]=4 7059 B11R1.301 O=C(CCCCO)C[C@@H]1CO1 1458a_100000695505_100000745022 [0,0,0,1,0,1|2,0,0]=4 7060 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000210554_100000763275 [0,0,0,1,0,1|2,0,0]=4 7061 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000763092_100000210624 [0,0,0,1,0,1|2,0,0]=4 7062 B11R1.484 CC(C)CC(=O)NC1CCC1 11a_100000749019_100000210554 [0,0,0,1,0,1|2,0,0]=4 7063 B11R1.484 CC(C)CC(=O)NC1CCC1 1626a_100000749019_100000210554 [0,0,0,1,0,1|2,0,0]=4 7064 B11R1.484 CC(C)CC(=O)NC1CCC1 240690a_100000749019_100000210554 [0,0,0,1,0,1|2,0,0]=4 7065 B11R1.484 CC(C)CC(=O)NC1CCC1 527a_100000749019_100000210554 [0,0,0,1,0,1|2,0,0]=4 7066 B11R1.484 CC(C)NC(=O)CC1CCC1 11a_100138425928_100000763092 [0,0,0,1,0,1|2,0,0]=4 7067 B11R1.484 CC(C)NC(=O)CC1CCC1 1626a_100138425928_100000763092 [0,0,0,1,0,1|2,0,0]=4 7068 B11R1.484 CC(C)NC(=O)CC1CCC1 240690a_100138425928_100000763092 [0,0,0,1,0,1|2,0,0]=4 7069 B11R1.484 CC(C)NC(=O)CC1CCC1 527a_100138425928_100000763092 [0,0,0,1,0,1|2,0,0]=4 7070 B11R1.484 CC(C)NC(=O)NC1CCC1 2708a_100138425928_100000749019 [0,0,0,1,0,1|2,0,0]=4 7071 B11R1.484 CC(C)NC(=O)NC1CCC1 273464a_100138425928_100000749019 [0,0,0,1,0,1|2,0,0]=4 7072 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100000749019_100138425928 [0,0,0,1,0,1|2,0,0]=4 7073 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100138425928_100000749019 [0,0,0,1,0,1|2,0,0]=4 7074 B11R1.484 CC(O)CC(=O)C=C1CCC1 1458a_100000686340_100011218427 [0,0,0,1,0,1|1,0,1]=4 7075 B11R1.484 CC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218427 [0,0,0,1,0,1|1,0,0]=3 7076 B11R1.484 CC(O)CC(=O)CC1COC1 1458a_100000687760_100011218427 [0,0,0,1,0,1|2,0,0]=4 7077 B11R1.484 C[C@@H](O)CC(=O)CC1CCC1 1458a_100011933948_100000763275 [0,0,0,1,0,1|1,0,0]=3 7078 B11R1.484 C[C@@H](O)CC(=O)CC1CCO1 1458a_100011933948_100000103362 [0,0,0,1,0,1|2,0,0]=4 7079 B11R1.484 C[C@@H](O)CC(=O)CC1COC1 1458a_100011933948_100010264016 [0,0,0,1,0,1|2,0,0]=4 7080 B11R1.484 C[C@@H](O)CC(=O)NC1CCC1 240690a_100000749019_100011933948 [0,0,0,1,0,1|1,0,0]=3 7081 B11R1.484 C[C@@H](O)CC(=O)NC1COC1 240690a_100016991112_100011933948 [0,0,0,1,0,1|2,0,0]=4 7082 B11R1.484 C[C@@H](O)CC(=O)NC1CSC1 240690a_100016994217_100011933948 [0,0,0,1,0,1|2,0,0]=4 7083 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000210554_100000694398 [0,0,0,1,0,1|2,0,0]=4 7084 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000756386_100000210624 [0,0,0,1,0,1|2,0,0]=4 7085 B11R1.485 CC(C)CC(=O)NCC1CC1 11a_100000735609_100000210554 [0,0,0,1,0,1|2,0,0]=4 7086 B11R1.485 CC(C)CC(=O)NCC1CC1 1626a_100000735609_100000210554 [0,0,0,1,0,1|2,0,0]=4 7087 B11R1.485 CC(C)CC(=O)NCC1CC1 240690a_100000735609_100000210554 [0,0,0,1,0,1|2,0,0]=4 7088 B11R1.485 CC(C)CC(=O)NCC1CC1 527a_100000735609_100000210554 [0,0,0,1,0,1|2,0,0]=4 7089 B11R1.485 CC(C)NC(=O)CCC1CC1 11a_100138425928_100000756386 [0,0,0,1,0,1|2,0,0]=4 7090 B11R1.485 CC(C)NC(=O)CCC1CC1 1626a_100138425928_100000756386 [0,0,0,1,0,1|2,0,0]=4 7091 B11R1.485 CC(C)NC(=O)CCC1CC1 240690a_100138425928_100000756386 [0,0,0,1,0,1|2,0,0]=4 7092 B11R1.485 CC(C)NC(=O)CCC1CC1 527a_100138425928_100000756386 [0,0,0,1,0,1|2,0,0]=4 7093 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100000735609_100138425928 [0,0,0,1,0,1|2,0,0]=4 7094 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100138425928_100000735609 [0,0,0,1,0,1|2,0,0]=4 7095 B11R1.485 CC(C)NC(=O)NCC1CC1 273464a_100138425928_100000735609 [0,0,0,1,0,1|2,0,0]=4 7096 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100000735609_100138425928 [0,0,0,1,0,1|2,0,0]=4 7097 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100138425928_100000735609 [0,0,0,1,0,1|2,0,0]=4 7098 B11R1.485 CC(O)CC(=O)C=CC1CC1 1458a_100102529529_100011218427 [0,0,0,1,0,1|1,0,1]=4 7099 B11R1.485 CC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218427 [0,0,0,1,0,1|1,0,0]=3 7100 B11R1.485 C[C@@H](O)CC(=O)CCC1CC1 1458a_100011933948_100000694398 [0,0,0,1,0,1|1,0,0]=3 7101 B11R1.485 C[C@@H](O)CC(=O)CCC1CO1 1458a_100011933948_100000732470 [0,0,0,1,0,1|2,0,0]=4 7102 B11R1.485 C[C@@H](O)CC(=O)NCC1CC1 240690a_100000735609_100011933948 [0,0,0,1,0,1|1,0,0]=3 7103 B11R1.485 C[C@@H](O)CC(=O)NNC1CC1 22a_100000701032_100011933948 [0,0,0,1,0,1|2,0,0]=4 7104 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,0,0,1,0,1|2,0,0]=4 7105 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [0,0,0,1,0,1|2,0,0]=4 7106 B11R1.1034 CCCCNC(=O)C1CC1C 11a_100000102301_100000211227 [0,0,0,1,0,1|2,0,0]=4 7107 B11R1.1034 CCCCNC(=O)C1CC1C 1626a_100000102301_100000211227 [0,0,0,1,0,1|2,0,0]=4 7108 B11R1.1034 CCCCNC(=O)C1CC1C 527a_100000102301_100000211227 [0,0,0,1,0,1|2,0,0]=4 7109 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000102301_100015396687 [0,0,0,1,0,1|2,0,0]=4 7110 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000102301_100015396687 [0,0,0,1,0,1|2,0,0]=4 7111 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000102301_100015396687 [0,0,0,1,0,1|2,0,0]=4 7112 B11R1.100 CC1CCN1C(=O)C(C)(C)C 11a_100000755817_106744555173 [0,1,0,1,0,0|2,0,0]=4 7113 B11R1.100 CC1CCN1C(=O)C(C)(C)C 240690a_100000755817_106744555173 [0,1,0,1,0,0|2,0,0]=4 7114 B11R1.100 CC1CCN1C(=O)C(C)(C)C 527a_100000755817_106744555173 [0,1,0,1,0,0|2,0,0]=4 7115 B11R1.100 CC1CCN1C(=O)C(C)(C)F 11a_100000755817_100000765255 [0,1,0,1,0,0|2,0,0]=4 7116 B11R1.100 CC1CCN1C(=O)C(C)(C)F 240690a_100000755817_100000765255 [0,1,0,1,0,0|2,0,0]=4 7117 B11R1.100 CC1CCN1C(=O)C(C)(C)F 527a_100000755817_100000765255 [0,1,0,1,0,0|2,0,0]=4 7118 B11R1.100 CC1CCN1C(=O)C(C)(C)O 240690a_100000755817_100000242741 [0,1,0,1,0,0|1,0,0]=3 7119 B11R1.100 CC1CCN1C(=O)C(C)(F)F 11a_100000755817_100000042251 [0,1,0,1,0,0|2,0,0]=4 7120 B11R1.100 CC1CCN1C(=O)C(C)(F)F 240690a_100000755817_100000042251 [0,1,0,1,0,0|2,0,0]=4 7121 B11R1.100 CC1CCN1C(=O)C(C)(F)F 527a_100000755817_100000042251 [0,1,0,1,0,0|2,0,0]=4 7122 B11R1.300 CCCCCC(=O)C1(CC1)C 1458a_100000756474_100000210326 [0,1,0,1,0,0|2,0,0]=4 7123 B11R1.300 CCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210326 [0,1,0,1,0,0|2,0,0]=4 7124 B11R1.300 CCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210326 [0,1,0,1,0,0|1,0,0]=3 7125 B11R1.300 CCCCNC(=O)C1(CC1)C 11a_100000102301_100000756474 [0,1,0,1,0,0|2,0,0]=4 7126 B11R1.300 CCCCNC(=O)C1(CC1)C 1626a_100000102301_100000756474 [0,1,0,1,0,0|2,0,0]=4 7127 B11R1.300 CCCCNC(=O)C1(CC1)C 240690a_100000102301_100000756474 [0,1,0,1,0,0|2,0,0]=4 7128 B11R1.300 CCCCNC(=O)C1(CC1)C 527a_100000102301_100000756474 [0,1,0,1,0,0|2,0,0]=4 7129 B11R1.300 CCCCNC(=O)C1(CC1)F 11a_100000102301_100000055089 [0,1,0,1,0,0|2,0,0]=4 7130 B11R1.300 CCCCNC(=O)C1(CC1)F 1626a_100000102301_100000055089 [0,1,0,1,0,0|2,0,0]=4 7131 B11R1.300 CCCCNC(=O)C1(CC1)F 240690a_100000102301_100000055089 [0,1,0,1,0,0|2,0,0]=4 7132 B11R1.300 CCCCNC(=O)C1(CC1)F 527a_100000102301_100000055089 [0,1,0,1,0,0|2,0,0]=4 7133 B11R1.300 CCCCNC(=O)C1(CC1)O 240690a_100000102301_100000241761 [0,1,0,1,0,0|1,0,0]=3 7134 B11R1.300 CCCNNC(=O)C1(CC1)O 22a_100000740057_100000241761 [0,1,0,1,0,0|2,0,0]=4 7135 B11R1.300 CCOCCC(=O)C1(CC1)O 1458a_100000241761_100011215890 [0,1,0,1,0,0|2,0,0]=4 7136 B11R1.300 CCSCCC(=O)C1(CC1)O 1458a_100000241761_100000757381 [0,1,0,1,0,0|2,0,0]=4 7137 B11R1.300 COCCCC(=O)C1(CC1)O 1458a_100000241761_100000740836 [0,1,0,1,0,0|2,0,0]=4 7138 B11R1.300 COCCNC(=O)C1(CC1)O 240690a_100000209980_100000241761 [0,1,0,1,0,0|2,0,0]=4 7139 B11R1.300 CSCCNC(=O)C1(CC1)O 240690a_100020590264_100000241761 [0,1,0,1,0,0|2,0,0]=4 7140 B11R1.300 O=C(CCCCF)C1(CC1)O 1458a_100000241761_100000729493 [0,1,0,1,0,0|2,0,0]=4 7141 B11R1.300 O=C(CCCCO)C1(CC1)O 1458a_100000241761_100000210776 [0,1,0,1,0,0|2,0,0]=4 7142 B11R1.300 O=C(NCCCF)C1(CC1)O 240690a_100015189416_100000241761 [0,1,0,1,0,0|2,0,0]=4 7143 B11R1.300 O=C(NCCCO)C1(CC1)O 240690a_100000182051_100000241761 [0,1,0,1,0,0|2,0,0]=4 7144 B11R1.357 CC(C)(C)C(=O)C1CCCC1 1458a_106744555173_100000179811 [0,1,0,1,0,0|2,0,0]=4 7145 B11R1.357 CC(C)(C)C(=O)N1CCCC1 240690a_100000188435_106744555173 [0,1,0,1,0,0|2,0,0]=4 7146 B11R1.357 CC(C)(C)C(=O)N1CCCC1 527a_100000188435_106744555173 [0,1,0,1,0,0|2,0,0]=4 7147 B11R1.357 CC(C)(F)C(=O)C1CCCC1 1458a_100000765255_100000179811 [0,1,0,1,0,0|2,0,0]=4 7148 B11R1.357 CC(C)(F)C(=O)N1CCCC1 240690a_100000188435_100000765255 [0,1,0,1,0,0|2,0,0]=4 7149 B11R1.357 CC(C)(F)C(=O)N1CCCC1 527a_100000188435_100000765255 [0,1,0,1,0,0|2,0,0]=4 7150 B11R1.357 CC(C)(O)C(=O)C1CCCC1 1458a_100000242741_100000179811 [0,1,0,1,0,0|1,0,0]=3 7151 B11R1.357 CC(C)(O)C(=O)C1CCOC1 1458a_100000242741_100000690089 [0,1,0,1,0,0|2,0,0]=4 7152 B11R1.357 CC(C)(O)C(=O)N1CCCC1 240690a_100000188435_100000242741 [0,1,0,1,0,0|1,0,0]=3 7153 B11R1.357 CC(C)(O)C(=O)N1CCSC1 240690a_100011215254_100000242741 [0,1,0,1,0,0|2,0,0]=4 7154 B11R1.357 CC(F)(F)C(=O)N1CCCC1 240690a_100000188435_100000042251 [0,1,0,1,0,0|2,0,0]=4 7155 B11R1.357 CC(F)(F)C(=O)N1CCCC1 527a_100000188435_100000042251 [0,1,0,1,0,0|2,0,0]=4 7156 B11R1.555 CC(C)(O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000242741 [0,1,0,1,0,0|2,0,0]=4 7157 B11R1.555 CC(C)(O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000242741 [0,1,0,1,0,0|2,0,0]=4 7158 B11R1.747 CC(C)(C)C(=O)CC1CCC1 1458a_106744555173_100000763275 [0,1,0,1,0,0|2,0,0]=4 7159 B11R1.747 CC(C)(C)C(=O)NC1CCC1 11a_100000749019_106744555173 [0,1,0,1,0,0|2,0,0]=4 7160 B11R1.747 CC(C)(C)C(=O)NC1CCC1 1626a_100000749019_106744555173 [0,1,0,1,0,0|2,0,0]=4 7161 B11R1.747 CC(C)(C)C(=O)NC1CCC1 240690a_100000749019_106744555173 [0,1,0,1,0,0|2,0,0]=4 7162 B11R1.747 CC(C)(C)C(=O)NC1CCC1 527a_100000749019_106744555173 [0,1,0,1,0,0|2,0,0]=4 7163 B11R1.747 CC(C)(F)C(=O)CC1CCC1 1458a_100000765255_100000763275 [0,1,0,1,0,0|2,0,0]=4 7164 B11R1.747 CC(C)(F)C(=O)NC1CCC1 11a_100000749019_100000765255 [0,1,0,1,0,0|2,0,0]=4 7165 B11R1.747 CC(C)(F)C(=O)NC1CCC1 1626a_100000749019_100000765255 [0,1,0,1,0,0|2,0,0]=4 7166 B11R1.747 CC(C)(F)C(=O)NC1CCC1 240690a_100000749019_100000765255 [0,1,0,1,0,0|2,0,0]=4 7167 B11R1.747 CC(C)(F)C(=O)NC1CCC1 527a_100000749019_100000765255 [0,1,0,1,0,0|2,0,0]=4 7168 B11R1.747 CC(C)(O)C(=O)CC1CCC1 1458a_100000242741_100000763275 [0,1,0,1,0,0|1,0,0]=3 7169 B11R1.747 CC(C)(O)C(=O)CC1CCO1 1458a_100000242741_100000103362 [0,1,0,1,0,0|2,0,0]=4 7170 B11R1.747 CC(C)(O)C(=O)CC1COC1 1458a_100000242741_100010264016 [0,1,0,1,0,0|2,0,0]=4 7171 B11R1.747 CC(C)(O)C(=O)NC1CCC1 240690a_100000749019_100000242741 [0,1,0,1,0,0|1,0,0]=3 7172 B11R1.747 CC(C)(O)C(=O)NC1COC1 240690a_100016991112_100000242741 [0,1,0,1,0,0|2,0,0]=4 7173 B11R1.747 CC(C)(O)C(=O)NC1CSC1 240690a_100016994217_100000242741 [0,1,0,1,0,0|2,0,0]=4 7174 B11R1.747 CC(F)(F)C(=O)NC1CCC1 11a_100000749019_100000042251 [0,1,0,1,0,0|2,0,0]=4 7175 B11R1.747 CC(F)(F)C(=O)NC1CCC1 1626a_100000749019_100000042251 [0,1,0,1,0,0|2,0,0]=4 7176 B11R1.747 CC(F)(F)C(=O)NC1CCC1 240690a_100000749019_100000042251 [0,1,0,1,0,0|2,0,0]=4 7177 B11R1.747 CC(F)(F)C(=O)NC1CCC1 527a_100000749019_100000042251 [0,1,0,1,0,0|2,0,0]=4 7178 B11R1.749 CC(C)(C)C(=O)CCC1CC1 1458a_106744555173_100000694398 [0,1,0,1,0,0|2,0,0]=4 7179 B11R1.749 CC(C)(C)C(=O)NCC1CC1 11a_100000735609_106744555173 [0,1,0,1,0,0|2,0,0]=4 7180 B11R1.749 CC(C)(C)C(=O)NCC1CC1 1626a_100000735609_106744555173 [0,1,0,1,0,0|2,0,0]=4 7181 B11R1.749 CC(C)(C)C(=O)NCC1CC1 240690a_100000735609_106744555173 [0,1,0,1,0,0|2,0,0]=4 7182 B11R1.749 CC(C)(C)C(=O)NCC1CC1 527a_100000735609_106744555173 [0,1,0,1,0,0|2,0,0]=4 7183 B11R1.749 CC(C)(F)C(=O)CCC1CC1 1458a_100000765255_100000694398 [0,1,0,1,0,0|2,0,0]=4 7184 B11R1.749 CC(C)(F)C(=O)NCC1CC1 11a_100000735609_100000765255 [0,1,0,1,0,0|2,0,0]=4 7185 B11R1.749 CC(C)(F)C(=O)NCC1CC1 1626a_100000735609_100000765255 [0,1,0,1,0,0|2,0,0]=4 7186 B11R1.749 CC(C)(F)C(=O)NCC1CC1 240690a_100000735609_100000765255 [0,1,0,1,0,0|2,0,0]=4 7187 B11R1.749 CC(C)(F)C(=O)NCC1CC1 527a_100000735609_100000765255 [0,1,0,1,0,0|2,0,0]=4 7188 B11R1.749 CC(C)(O)C(=O)CCC1CC1 1458a_100000242741_100000694398 [0,1,0,1,0,0|1,0,0]=3 7189 B11R1.749 CC(C)(O)C(=O)CCC1CO1 1458a_100000242741_100000732470 [0,1,0,1,0,0|2,0,0]=4 7190 B11R1.749 CC(C)(O)C(=O)NCC1CC1 240690a_100000735609_100000242741 [0,1,0,1,0,0|1,0,0]=3 7191 B11R1.749 CC(C)(O)C(=O)NNC1CC1 22a_100000701032_100000242741 [0,1,0,1,0,0|2,0,0]=4 7192 B11R1.749 CC(F)(F)C(=O)NCC1CC1 11a_100000735609_100000042251 [0,1,0,1,0,0|2,0,0]=4 7193 B11R1.749 CC(F)(F)C(=O)NCC1CC1 1626a_100000735609_100000042251 [0,1,0,1,0,0|2,0,0]=4 7194 B11R1.749 CC(F)(F)C(=O)NCC1CC1 240690a_100000735609_100000042251 [0,1,0,1,0,0|2,0,0]=4 7195 B11R1.749 CC(F)(F)C(=O)NCC1CC1 527a_100000735609_100000042251 [0,1,0,1,0,0|2,0,0]=4 7196 B11R1.35 CC(C)C(=O)C=C1CCCC1 1458a_100000743260_100000210206 [0,1,0,1,0,0|2,0,0]=4 7197 B11R1.35 CC(C)C(=O)CC1CCCC1 1458a_100000210198_100000740388 [0,1,0,1,0,0|2,0,0]=4 7198 B11R1.35 CC(C)C(=O)CC1CCCC1 1458a_100000210891_100000210206 [0,1,0,1,0,0|2,0,0]=4 7199 B11R1.35 CC(C)C(=O)CC1CCCO1 1458a_100000210198_100000203698 [0,1,0,1,0,0|2,0,0]=4 7200 B11R1.35 CC(C)C(=O)CC1CCOC1 1458a_100000210198_100000702531 [0,1,0,1,0,0|2,0,0]=4 7201 B11R1.35 CC(C)C(=O)CC1CCOC1 1458a_100011218419_100000210206 [0,1,0,1,0,0|2,0,0]=4 7202 B11R1.35 CC(C)C(=O)CN1CCCC1 1458a_100000740243_100000210206 [0,1,0,1,0,0|2,0,0]=4 7203 B11R1.35 CC(C)C(=O)CN1CCCC1 2230a_100000188435_100000753385 [0,1,0,1,0,0|2,0,0]=4 7204 B11R1.35 CC(C)C(=O)CN1CCCC1 269982a_100000188435_100000753385 [0,1,0,1,0,0|2,0,0]=4 7205 B11R1.35 CC(C)C(=O)NC1CCCC1 11a_100000211070_100000210198 [0,1,0,1,0,0|2,0,0]=4 7206 B11R1.35 CC(C)C(=O)NC1CCCC1 1626a_100000211070_100000210198 [0,1,0,1,0,0|2,0,0]=4 7207 B11R1.35 CC(C)C(=O)NC1CCCC1 240690a_100000211070_100000210198 [0,1,0,1,0,0|2,0,0]=4 7208 B11R1.35 CC(C)C(=O)NC1CCCC1 527a_100000211070_100000210198 [0,1,0,1,0,0|2,0,0]=4 7209 B11R1.35 CC(C)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210198 [0,1,0,1,0,0|2,0,0]=4 7210 B11R1.35 CC(C)C(=O)N[C@@H]1CCOC1 527a_200015188469_100000210198 [0,1,0,1,0,0|2,0,0]=4 7211 B11R1.35 CC(C)C(=O)N[C@H]1CCOC1 11a_100015188467_100000210198 [0,1,0,1,0,0|2,0,0]=4 7212 B11R1.35 CC(C)C(=O)N[C@H]1CCOC1 1626a_100015188467_100000210198 [0,1,0,1,0,0|2,0,0]=4 7213 B11R1.35 CC(C)C(=O)N[C@H]1CCOC1 240690a_100015188467_100000210198 [0,1,0,1,0,0|2,0,0]=4 7214 B11R1.35 CC(C)C(=O)N[C@H]1CCOC1 527a_100015188467_100000210198 [0,1,0,1,0,0|2,0,0]=4 7215 B11R1.35 CC(F)C(=O)CC1CCCC1 1458a_100000062450_100000740388 [0,1,0,1,0,0|2,0,0]=4 7216 B11R1.35 CC(F)C(=O)CC1CCCO1 1458a_100000062450_100000203698 [0,1,0,1,0,0|2,0,0]=4 7217 B11R1.35 CC(F)C(=O)CC1CCOC1 1458a_100000062450_100000702531 [0,1,0,1,0,0|2,0,0]=4 7218 B11R1.35 CC(F)C(=O)NC1CCCC1 11a_100000211070_100000062450 [0,1,0,1,0,0|2,0,0]=4 7219 B11R1.35 CC(F)C(=O)NC1CCCC1 1626a_100000211070_100000062450 [0,1,0,1,0,0|2,0,0]=4 7220 B11R1.35 CC(F)C(=O)NC1CCCC1 240690a_100000211070_100000062450 [0,1,0,1,0,0|2,0,0]=4 7221 B11R1.35 CC(F)C(=O)NC1CCCC1 527a_100000211070_100000062450 [0,1,0,1,0,0|2,0,0]=4 7222 B11R1.35 CC(F)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100000062450 [0,1,0,1,0,0|2,0,0]=4 7223 B11R1.35 CC(F)C(=O)N[C@@H]1CCOC1 527a_200015188469_100000062450 [0,1,0,1,0,0|2,0,0]=4 7224 B11R1.35 CC(F)C(=O)N[C@H]1CCOC1 11a_100015188467_100000062450 [0,1,0,1,0,0|2,0,0]=4 7225 B11R1.35 CC(F)C(=O)N[C@H]1CCOC1 1626a_100015188467_100000062450 [0,1,0,1,0,0|2,0,0]=4 7226 B11R1.35 CC(F)C(=O)N[C@H]1CCOC1 240690a_100015188467_100000062450 [0,1,0,1,0,0|2,0,0]=4 7227 B11R1.35 CC(F)C(=O)N[C@H]1CCOC1 527a_100015188467_100000062450 [0,1,0,1,0,0|2,0,0]=4 7228 B11R1.35 C[C@@H](O)C(=O)CC1CCCC1 1458a_100000717761_100000740388 [0,1,0,1,0,0|1,0,0]=3 7229 B11R1.35 C[C@@H](O)C(=O)CC1CCCO1 1458a_100000717761_100000203698 [0,1,0,1,0,0|1,0,0]=3 7230 B11R1.35 C[C@@H](O)C(=O)CC1CCOC1 1458a_100000717761_100000702531 [0,1,0,1,0,0|1,0,0]=3 7231 B11R1.35 C[C@@H](O)C(=O)CC1OCCO1 1458a_100000717761_100000755774 [0,1,0,1,0,0|2,0,0]=4 7232 B11R1.35 C[C@@H](O)C(=O)NC1CC=CC1 240690a_100015188752_100000717761 [0,1,0,1,0,0|1,0,1]=4 7233 B11R1.35 C[C@@H](O)C(=O)NC1CCCC1 240690a_100000211070_100000717761 [0,1,0,1,0,0|1,0,0]=3 7234 B11R1.35 C[C@@H](O)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100000717761 [0,1,0,1,0,0|1,0,0]=3 7235 B11R1.35 C[C@@H](O)C(=O)N[C@H]1CCOC1 240690a_100015188467_100000717761 [0,1,0,1,0,0|1,0,0]=3 7236 B11R1.35 C[C@H](O)C(=O)CC1CCCC1 1458a_217856618621_100000740388 [0,1,0,1,0,0|1,0,0]=3 7237 B11R1.35 C[C@H](O)C(=O)CC1CCCO1 1458a_217856618621_100000203698 [0,1,0,1,0,0|1,0,0]=3 7238 B11R1.35 C[C@H](O)C(=O)CC1CCOC1 1458a_217856618621_100000702531 [0,1,0,1,0,0|1,0,0]=3 7239 B11R1.35 C[C@H](O)C(=O)CC1OCCO1 1458a_217856618621_100000755774 [0,1,0,1,0,0|2,0,0]=4 7240 B11R1.35 C[C@H](O)C(=O)NC1CC=CC1 1626a_100015188752_217856618621 [0,1,0,1,0,0|1,0,1]=4 7241 B11R1.35 C[C@H](O)C(=O)NC1CC=CC1 240690a_100015188752_217856618621 [0,1,0,1,0,0|1,0,1]=4 7242 B11R1.35 C[C@H](O)C(=O)NC1CCCC1 1626a_100000211070_217856618621 [0,1,0,1,0,0|1,0,0]=3 7243 B11R1.35 C[C@H](O)C(=O)NC1CCCC1 240690a_100000211070_217856618621 [0,1,0,1,0,0|1,0,0]=3 7244 B11R1.35 C[C@H](O)C(=O)N[C@@H]1CCOC1 240690a_200015188469_217856618621 [0,1,0,1,0,0|1,0,0]=3 7245 B11R1.35 C[C@H](O)C(=O)N[C@H]1CCOC1 1626a_100015188467_217856618621 [0,1,0,1,0,0|1,0,0]=3 7246 B11R1.35 C[C@H](O)C(=O)N[C@H]1CCOC1 240690a_100015188467_217856618621 [0,1,0,1,0,0|1,0,0]=3 7247 B11R1.35 O=C(CC1CCCC1)C(O)O 1458a_100000233687_100000740388 [0,1,0,1,0,0|2,0,0]=4 7248 B11R1.35 O=C(CC1CCCO1)C(O)O 1458a_100000233687_100000203698 [0,1,0,1,0,0|2,0,0]=4 7249 B11R1.35 O=C(CC1CCOC1)C(O)O 1458a_100000233687_100000702531 [0,1,0,1,0,0|2,0,0]=4 7250 B11R1.35 O=C(NC1CCCC1)C(O)O 240690a_100000211070_100000233687 [0,1,0,1,0,0|2,0,0]=4 7251 B11R1.35 O=C(N[C@@H]1CCOC1)C(O)O 240690a_200015188469_100000233687 [0,1,0,1,0,0|2,0,0]=4 7252 B11R1.35 O=C(N[C@H]1CCOC1)C(O)O 240690a_100015188467_100000233687 [0,1,0,1,0,0|2,0,0]=4 7253 B11R1.89 CC(C)C(=O)C1CCCC1C 1458a_100000690547_100000210206 [0,1,0,1,0,0|2,0,0]=4 7254 B11R1.89 CC(C)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210198 [0,1,0,1,0,0|2,0,0]=4 7255 B11R1.89 CC(C)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000210198 [0,1,0,1,0,0|2,0,0]=4 7256 B11R1.89 CC(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100000210198 [0,1,0,1,0,0|2,0,0]=4 7257 B11R1.89 CC(C)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000210198 [0,1,0,1,0,0|2,0,0]=4 7258 B11R1.89 CC(C)C(=O)N1CCC[C@H]1C 527a_100015189458_100000210198 [0,1,0,1,0,0|2,0,0]=4 7259 B11R1.89 CC(C)C(=O)N1CCSC1C 11a_200011216479_100000210198 [0,1,0,1,0,0|2,0,0]=4 7260 B11R1.89 CC(C)C(=O)N1CCSC1C 1626a_200011216479_100000210198 [0,1,0,1,0,0|2,0,0]=4 7261 B11R1.89 CC(C)C(=O)N1CCSC1C 240690a_200011216479_100000210198 [0,1,0,1,0,0|2,0,0]=4 7262 B11R1.89 CC(C)C(=O)N1CCSC1C 527a_200011216479_100000210198 [0,1,0,1,0,0|2,0,0]=4 7263 B11R1.89 CC(C)C(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210206 [0,1,0,1,0,0|2,0,0]=4 7264 B11R1.89 CC(F)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000062450 [0,1,0,1,0,0|2,0,0]=4 7265 B11R1.89 CC(F)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000062450 [0,1,0,1,0,0|2,0,0]=4 7266 B11R1.89 CC(F)C(=O)N1CCC[C@H]1C 11a_100015189458_100000062450 [0,1,0,1,0,0|2,0,0]=4 7267 B11R1.89 CC(F)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000062450 [0,1,0,1,0,0|2,0,0]=4 7268 B11R1.89 CC(F)C(=O)N1CCC[C@H]1C 527a_100015189458_100000062450 [0,1,0,1,0,0|2,0,0]=4 7269 B11R1.89 CC(F)C(=O)N1CCSC1C 11a_200011216479_100000062450 [0,1,0,1,0,0|2,0,0]=4 7270 B11R1.89 CC(F)C(=O)N1CCSC1C 1626a_200011216479_100000062450 [0,1,0,1,0,0|2,0,0]=4 7271 B11R1.89 CC(F)C(=O)N1CCSC1C 240690a_200011216479_100000062450 [0,1,0,1,0,0|2,0,0]=4 7272 B11R1.89 CC(F)C(=O)N1CCSC1C 527a_200011216479_100000062450 [0,1,0,1,0,0|2,0,0]=4 7273 B11R1.89 CC1SCCN1C(=O)C(O)O 240690a_200011216479_100000233687 [0,1,0,1,0,0|2,0,0]=4 7274 B11R1.89 CC1SCCN1C(=O)[C@@H](C)O 240690a_200011216479_100000717761 [0,1,0,1,0,0|1,0,0]=3 7275 B11R1.89 CC1SCCN1C(=O)[C@H](C)O 1626a_200011216479_217856618621 [0,1,0,1,0,0|1,0,0]=3 7276 B11R1.89 CC1SCCN1C(=O)[C@H](C)O 240690a_200011216479_217856618621 [0,1,0,1,0,0|1,0,0]=3 7277 B11R1.89 C[C@@H](O)C(=O)C1CCCC1=O 1458a_100000717761_100000211823 [0,1,0,1,0,0|1,0,1]=4 7278 B11R1.89 C[C@@H](O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000717761 [0,1,0,1,0,0|1,0,0]=3 7279 B11R1.89 C[C@@H]1CCCN1C(=O)C(O)O 240690a_100015189458_100000233687 [0,1,0,1,0,0|2,0,0]=4 7280 B11R1.89 C[C@@H]1CCCN1C(=O)[C@@H](C)O 240690a_100015189458_100000717761 [0,1,0,1,0,0|1,0,0]=3 7281 B11R1.89 C[C@H](O)C(=O)C1CCCC1=O 1458a_217856618621_100000211823 [0,1,0,1,0,0|1,0,1]=4 7282 B11R1.89 C[C@H](O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_217856618621 [0,1,0,1,0,0|1,0,0]=3 7283 B11R1.89 C[C@H](O)C(=O)N1CCC[C@H]1C 240690a_100015189458_217856618621 [0,1,0,1,0,0|1,0,0]=3 7284 B11R1.89 C[C@H]1CCCN1C(=O)C(O)O 240690a_100020605311_100000233687 [0,1,0,1,0,0|2,0,0]=4 7285 B11R1.124 CCCc1noc(n1)[C@@H](C)O 270196a_100011193412_100000717761 [0,1,0,1,0,0|1,0,1]=4 7286 B11R1.124 CCCc1noc(n1)[C@H](C)O 270196a_100011193412_217856618621 [0,1,0,1,0,0|1,0,1]=4 7287 B11R1.153 C=C1CC(C1)NC(=O)[C@H](C)O 1626a_100132301982_217856618621 [0,1,0,1,0,0|1,0,1]=4 7288 B11R1.153 CC(C)C(=O)NC1CC(C1)F 11a_100016993743_100000210198 [0,1,0,1,0,0|2,0,0]=4 7289 B11R1.153 CC(C)C(=O)NC1CC(C1)F 1626a_100016993743_100000210198 [0,1,0,1,0,0|2,0,0]=4 7290 B11R1.153 CC(C)C(=O)NC1CC(C1)F 240690a_100016993743_100000210198 [0,1,0,1,0,0|2,0,0]=4 7291 B11R1.153 CC(C)C(=O)NC1CC(C1)F 527a_100016993743_100000210198 [0,1,0,1,0,0|2,0,0]=4 7292 B11R1.153 CC(C)C(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210198 [0,1,0,1,0,0|2,0,0]=4 7293 B11R1.153 CC(C)C(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210198 [0,1,0,1,0,0|2,0,0]=4 7294 B11R1.153 CC(C)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210198 [0,1,0,1,0,0|2,0,0]=4 7295 B11R1.153 CC(C)C(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210198 [0,1,0,1,0,0|2,0,0]=4 7296 B11R1.153 CC(F)C(=O)NC1CC(C1)F 11a_100016993743_100000062450 [0,1,0,1,0,0|2,0,0]=4 7297 B11R1.153 CC(F)C(=O)NC1CC(C1)F 1626a_100016993743_100000062450 [0,1,0,1,0,0|2,0,0]=4 7298 B11R1.153 CC(F)C(=O)NC1CC(C1)F 240690a_100016993743_100000062450 [0,1,0,1,0,0|2,0,0]=4 7299 B11R1.153 CC(F)C(=O)NC1CC(C1)F 527a_100016993743_100000062450 [0,1,0,1,0,0|2,0,0]=4 7300 B11R1.153 CC(F)C(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000062450 [0,1,0,1,0,0|2,0,0]=4 7301 B11R1.153 CC(F)C(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000062450 [0,1,0,1,0,0|2,0,0]=4 7302 B11R1.153 CC(F)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000062450 [0,1,0,1,0,0|2,0,0]=4 7303 B11R1.153 CC(F)C(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000062450 [0,1,0,1,0,0|2,0,0]=4 7304 B11R1.153 C[C@@H](O)C(=O)CC1CC(=O)C1 1458a_100000717761_100009874392 [0,1,0,1,0,0|1,0,1]=4 7305 B11R1.153 C[C@@H](O)C(=O)NC1CC(C1)F 240690a_100016993743_100000717761 [0,1,0,1,0,0|1,0,0]=3 7306 B11R1.153 C[C@@H](O)C(=O)NC1CN(C1)C 240690a_100015196640_100000717761 [0,1,0,1,0,0|2,0,0]=4 7307 B11R1.153 C[C@@H](O)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000717761 [0,1,0,1,0,0|1,0,0]=3 7308 B11R1.153 C[C@H](O)C(=O)CC1CC(=O)C1 1458a_217856618621_100009874392 [0,1,0,1,0,0|1,0,1]=4 7309 B11R1.153 C[C@H](O)C(=O)NC1CC(C1)F 1626a_100016993743_217856618621 [0,1,0,1,0,0|1,0,0]=3 7310 B11R1.153 C[C@H](O)C(=O)NC1CC(C1)F 240690a_100016993743_217856618621 [0,1,0,1,0,0|1,0,0]=3 7311 B11R1.153 C[C@H](O)C(=O)NC1CN(C1)C 240690a_100015196640_217856618621 [0,1,0,1,0,0|2,0,0]=4 7312 B11R1.153 C[C@H](O)C(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_217856618621 [0,1,0,1,0,0|1,0,0]=3 7313 B11R1.153 C[C@H](O)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_217856618621 [0,1,0,1,0,0|1,0,0]=3 7314 B11R1.153 O=C(NC1CC(C1)F)C(O)O 240690a_100016993743_100000233687 [0,1,0,1,0,0|2,0,0]=4 7315 B11R1.153 O=C(N[C@H]1C[C@@H](C1)O)C(O)O 240690a_100020629032_100000233687 [0,1,0,1,0,0|2,0,0]=4 7316 B11R1.334 CCCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747444 [0,1,0,1,0,0|1,0,1]=4 7317 B11R1.334 CCCC(C)CC(=O)C1CC1 1458a_100000210395_100011216630 [0,1,0,1,0,0|2,0,0]=4 7318 B11R1.334 CCCC(C)CC(=O)C1CO1 1458a_100000701028_100011216630 [0,1,0,1,0,0|1,0,0]=3 7319 B11R1.334 CCCC(C)NC(=O)C1CC1 11a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 7320 B11R1.334 CCCC(C)NC(=O)C1CC1 1626a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 7321 B11R1.334 CCCC(C)NC(=O)C1CC1 240690a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 7322 B11R1.334 CCCC(C)NC(=O)C1CC1 527a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 7323 B11R1.334 CCCC(C)NC(=O)C1CO1 11a_100000741246_100000701028 [0,1,0,1,0,0|1,0,0]=3 7324 B11R1.334 CCCC(C)NC(=O)C1CO1 1626a_100000741246_100000701028 [0,1,0,1,0,0|1,0,0]=3 7325 B11R1.334 CCCC(C)NC(=O)C1CO1 240690a_100000741246_100000701028 [0,1,0,1,0,0|1,0,0]=3 7326 B11R1.334 CCCC(C)NC(=O)C1CO1 527a_100000741246_100000701028 [0,1,0,1,0,0|1,0,0]=3 7327 B11R1.334 COC[C@@H](C)NC(=O)C1CO1 11a_100000764878_100000701028 [0,1,0,1,0,0|2,0,0]=4 7328 B11R1.334 COC[C@@H](C)NC(=O)C1CO1 1626a_100000764878_100000701028 [0,1,0,1,0,0|2,0,0]=4 7329 B11R1.334 COC[C@@H](C)NC(=O)C1CO1 240690a_100000764878_100000701028 [0,1,0,1,0,0|2,0,0]=4 7330 B11R1.334 COC[C@@H](C)NC(=O)C1CO1 527a_100000764878_100000701028 [0,1,0,1,0,0|2,0,0]=4 7331 B11R1.334 C[C@H](CCO)NC(=O)C1CO1 240690a_100000706166_100000701028 [0,1,0,1,0,0|2,0,0]=4 7332 B11R1.334 C[C@H](CCO)NC(=O)C1CO1 527a_100000706166_100000701028 [0,1,0,1,0,0|2,0,0]=4 7333 B11R1.718 CC(C)C(=O)NC(C)C1CC1 11a_100000700016_100000210198 [0,1,0,1,0,0|2,0,0]=4 7334 B11R1.718 CC(C)C(=O)NC(C)C1CC1 1626a_100000700016_100000210198 [0,1,0,1,0,0|2,0,0]=4 7335 B11R1.718 CC(C)C(=O)NC(C)C1CC1 240690a_100000700016_100000210198 [0,1,0,1,0,0|2,0,0]=4 7336 B11R1.718 CC(C)C(=O)NC(C)C1CC1 527a_100000700016_100000210198 [0,1,0,1,0,0|2,0,0]=4 7337 B11R1.718 CC(F)C(=O)NC(C)C1CC1 11a_100000700016_100000062450 [0,1,0,1,0,0|2,0,0]=4 7338 B11R1.718 CC(F)C(=O)NC(C)C1CC1 1626a_100000700016_100000062450 [0,1,0,1,0,0|2,0,0]=4 7339 B11R1.718 CC(F)C(=O)NC(C)C1CC1 240690a_100000700016_100000062450 [0,1,0,1,0,0|2,0,0]=4 7340 B11R1.718 CC(F)C(=O)NC(C)C1CC1 527a_100000700016_100000062450 [0,1,0,1,0,0|2,0,0]=4 7341 B11R1.718 CC(NC(=O)C(O)O)C1CC1 240690a_100000700016_100000233687 [0,1,0,1,0,0|2,0,0]=4 7342 B11R1.718 CC(NC(=O)[C@@H](C)O)C1CC1 240690a_100000700016_100000717761 [0,1,0,1,0,0|1,0,0]=3 7343 B11R1.718 CC(NC(=O)[C@H](C)O)C1CC1 1626a_100000700016_217856618621 [0,1,0,1,0,0|1,0,0]=3 7344 B11R1.718 CC(NC(=O)[C@H](C)O)C1CC1 240690a_100000700016_217856618621 [0,1,0,1,0,0|1,0,0]=3 7345 B11R1.718 C[C@@H](O)C(=O)CC(=O)C1CC1 1458a_100000717761_100000746382 [0,1,0,1,0,0|1,0,1]=4 7346 B11R1.718 C[C@H](O)C(=O)CC(=O)C1CC1 1458a_217856618621_100000746382 [0,1,0,1,0,0|1,0,1]=4 7347 B11R1.1112 CC(C)C(=O)CC1(CCC1)C 1458a_100000210198_100000726658 [0,1,0,1,0,0|2,0,0]=4 7348 B11R1.1112 CC(C)C(=O)NC1(CCC1)C 11a_100000692455_100000210198 [0,1,0,1,0,0|2,0,0]=4 7349 B11R1.1112 CC(C)C(=O)NC1(CCC1)C 1626a_100000692455_100000210198 [0,1,0,1,0,0|2,0,0]=4 7350 B11R1.1112 CC(C)C(=O)NC1(CCC1)C 240690a_100000692455_100000210198 [0,1,0,1,0,0|2,0,0]=4 7351 B11R1.1112 CC(C)C(=O)NC1(CCC1)C 527a_100000692455_100000210198 [0,1,0,1,0,0|2,0,0]=4 7352 B11R1.1112 CC(F)C(=O)CC1(CCC1)C 1458a_100000062450_100000726658 [0,1,0,1,0,0|2,0,0]=4 7353 B11R1.1112 CC(F)C(=O)NC1(CCC1)C 11a_100000692455_100000062450 [0,1,0,1,0,0|2,0,0]=4 7354 B11R1.1112 CC(F)C(=O)NC1(CCC1)C 1626a_100000692455_100000062450 [0,1,0,1,0,0|2,0,0]=4 7355 B11R1.1112 CC(F)C(=O)NC1(CCC1)C 240690a_100000692455_100000062450 [0,1,0,1,0,0|2,0,0]=4 7356 B11R1.1112 CC(F)C(=O)NC1(CCC1)C 527a_100000692455_100000062450 [0,1,0,1,0,0|2,0,0]=4 7357 B11R1.1112 CC1(CCC1)CC(=O)C(O)O 1458a_100000233687_100000726658 [0,1,0,1,0,0|2,0,0]=4 7358 B11R1.1112 CC1(CCC1)NC(=O)C(O)O 240690a_100000692455_100000233687 [0,1,0,1,0,0|2,0,0]=4 7359 B11R1.1112 C[C@@H](O)C(=O)CC1(CCC1)C 1458a_100000717761_100000726658 [0,1,0,1,0,0|1,0,0]=3 7360 B11R1.1112 C[C@@H](O)C(=O)CC1(COC1)C 1458a_100000717761_100000066812 [0,1,0,1,0,0|2,0,0]=4 7361 B11R1.1112 C[C@@H](O)C(=O)NC1(CCC1)C 240690a_100000692455_100000717761 [0,1,0,1,0,0|1,0,0]=3 7362 B11R1.1112 C[C@H](O)C(=O)CC1(CCC1)C 1458a_217856618621_100000726658 [0,1,0,1,0,0|1,0,0]=3 7363 B11R1.1112 C[C@H](O)C(=O)CC1(COC1)C 1458a_217856618621_100000066812 [0,1,0,1,0,0|2,0,0]=4 7364 B11R1.1112 C[C@H](O)C(=O)NC1(CCC1)C 1626a_100000692455_217856618621 [0,1,0,1,0,0|1,0,0]=3 7365 B11R1.1112 C[C@H](O)C(=O)NC1(CCC1)C 240690a_100000692455_217856618621 [0,1,0,1,0,0|1,0,0]=3 7366 B11R1.1112 C[C@H](O)C(=O)NC1(COC1)C 1626a_100000732644_217856618621 [0,1,0,1,0,0|2,0,0]=4 7367 B11R1.36 CC(C)C(=O)C1=CCCCC1 1458a_100000765259_100000210206 [0,1,0,1,0,0|2,0,0]=4 7368 B11R1.36 CC(C)C(=O)C1=CCCCO1 1458a_100000764163_100000210206 [0,1,0,1,0,0|1,0,1]=4 7369 B11R1.36 CC(C)C(=O)C1CCCCC1 1458a_100000210198_100000210327 [0,1,0,1,0,0|2,0,0]=4 7370 B11R1.36 CC(C)C(=O)C1CCCCC1 1458a_100000210647_100000210206 [0,1,0,1,0,0|2,0,0]=4 7371 B11R1.36 CC(C)C(=O)C1CCCCO1 1458a_100000748299_100000210206 [0,1,0,1,0,0|1,0,0]=3 7372 B11R1.36 CC(C)C(=O)C1CCCOC1 1458a_100000210198_100000693364 [0,1,0,1,0,0|2,0,0]=4 7373 B11R1.36 CC(C)C(=O)C1CCCOC1 1458a_100000741522_100000210206 [0,1,0,1,0,0|2,0,0]=4 7374 B11R1.36 CC(C)C(=O)C1CCOCC1 1458a_100000195482_100000210206 [0,1,0,1,0,0|2,0,0]=4 7375 B11R1.36 CC(C)C(=O)C1CCOCC1 1458a_100000210198_100011324220 [0,1,0,1,0,0|2,0,0]=4 7376 B11R1.36 CC(C)C(=O)C1CCSCC1 1458a_100000755232_100000210206 [0,1,0,1,0,0|2,0,0]=4 7377 B11R1.36 CC(C)C(=O)C1COCCO1 1458a_100000045528_100000210206 [0,1,0,1,0,0|2,0,0]=4 7378 B11R1.36 CC(C)C(=O)N1CCCOC1 11a_100000131196_100000210198 [0,1,0,1,0,0|2,0,0]=4 7379 B11R1.36 CC(C)C(=O)N1CCCOC1 240690a_100000131196_100000210198 [0,1,0,1,0,0|2,0,0]=4 7380 B11R1.36 CC(C)C(=O)N1CCOCC1 11a_100015191051_100000210198 [0,1,0,1,0,0|2,0,0]=4 7381 B11R1.36 CC(C)C(=O)N1CCOCC1 1626a_100015191051_100000210198 [0,1,0,1,0,0|2,0,0]=4 7382 B11R1.36 CC(C)C(=O)N1CCOCC1 240690a_100015191051_100000210198 [0,1,0,1,0,0|2,0,0]=4 7383 B11R1.36 CC(C)C(=O)N1CCOCC1 527a_100015191051_100000210198 [0,1,0,1,0,0|2,0,0]=4 7384 B11R1.36 CC(C)C(=O)N1CCSCC1 11a_100000737611_100000210198 [0,1,0,1,0,0|2,0,0]=4 7385 B11R1.36 CC(C)C(=O)N1CCSCC1 240690a_100000737611_100000210198 [0,1,0,1,0,0|2,0,0]=4 7386 B11R1.36 CC(C)C(=O)N1CCSCC1 527a_100000737611_100000210198 [0,1,0,1,0,0|2,0,0]=4 7387 B11R1.36 CC(F)C(=O)C1CCCCC1 1458a_100000062450_100000210327 [0,1,0,1,0,0|2,0,0]=4 7388 B11R1.36 CC(F)C(=O)C1CCCOC1 1458a_100000062450_100000693364 [0,1,0,1,0,0|2,0,0]=4 7389 B11R1.36 CC(F)C(=O)C1CCOCC1 1458a_100000062450_100011324220 [0,1,0,1,0,0|2,0,0]=4 7390 B11R1.36 CC(F)C(=O)N1CCCOC1 11a_100000131196_100000062450 [0,1,0,1,0,0|2,0,0]=4 7391 B11R1.36 CC(F)C(=O)N1CCCOC1 240690a_100000131196_100000062450 [0,1,0,1,0,0|2,0,0]=4 7392 B11R1.36 CC(F)C(=O)N1CCOCC1 11a_100015191051_100000062450 [0,1,0,1,0,0|2,0,0]=4 7393 B11R1.36 CC(F)C(=O)N1CCOCC1 1626a_100015191051_100000062450 [0,1,0,1,0,0|2,0,0]=4 7394 B11R1.36 CC(F)C(=O)N1CCOCC1 240690a_100015191051_100000062450 [0,1,0,1,0,0|2,0,0]=4 7395 B11R1.36 CC(F)C(=O)N1CCOCC1 527a_100015191051_100000062450 [0,1,0,1,0,0|2,0,0]=4 7396 B11R1.36 CC(F)C(=O)N1CCSCC1 11a_100000737611_100000062450 [0,1,0,1,0,0|2,0,0]=4 7397 B11R1.36 CC(F)C(=O)N1CCSCC1 240690a_100000737611_100000062450 [0,1,0,1,0,0|2,0,0]=4 7398 B11R1.36 CC(F)C(=O)N1CCSCC1 527a_100000737611_100000062450 [0,1,0,1,0,0|2,0,0]=4 7399 B11R1.36 CN(C)C(=O)C1CCCCO1 11a_100102631434_100000748299 [0,1,0,1,0,0|2,0,0]=4 7400 B11R1.36 CN(C)C(=O)C1CCCCO1 1626a_100102631434_100000748299 [0,1,0,1,0,0|2,0,0]=4 7401 B11R1.36 CN(C)C(=O)C1CCCCO1 240690a_100102631434_100000748299 [0,1,0,1,0,0|2,0,0]=4 7402 B11R1.36 CN(C)C(=O)C1CCCCO1 527a_100102631434_100000748299 [0,1,0,1,0,0|2,0,0]=4 7403 B11R1.36 C[C@@H](O)C(=O)C1C=CCCC1 1458a_100000717761_100000751183 [0,1,0,1,0,0|1,0,1]=4 7404 B11R1.36 C[C@@H](O)C(=O)C1CCCCC1 1458a_100000717761_100000210327 [0,1,0,1,0,0|1,0,0]=3 7405 B11R1.36 C[C@@H](O)C(=O)C1CCCOC1 1458a_100000717761_100000693364 [0,1,0,1,0,0|1,0,0]=3 7406 B11R1.36 C[C@@H](O)C(=O)C1CCOCC1 1458a_100000717761_100011324220 [0,1,0,1,0,0|1,0,0]=3 7407 B11R1.36 C[C@@H](O)C(=O)N1CC=CCC1 240690a_100000698166_100000717761 [0,1,0,1,0,0|1,0,1]=4 7408 B11R1.36 C[C@@H](O)C(=O)N1CCCOC1 240690a_100000131196_100000717761 [0,1,0,1,0,0|1,0,0]=3 7409 B11R1.36 C[C@@H](O)C(=O)N1CCOCC1 240690a_100015191051_100000717761 [0,1,0,1,0,0|1,0,0]=3 7410 B11R1.36 C[C@@H](O)C(=O)N1CCSCC1 240690a_100000737611_100000717761 [0,1,0,1,0,0|1,0,0]=3 7411 B11R1.36 C[C@H](O)C(=O)C1C=CCCC1 1458a_217856618621_100000751183 [0,1,0,1,0,0|1,0,1]=4 7412 B11R1.36 C[C@H](O)C(=O)C1CCCCC1 1458a_217856618621_100000210327 [0,1,0,1,0,0|1,0,0]=3 7413 B11R1.36 C[C@H](O)C(=O)C1CCCOC1 1458a_217856618621_100000693364 [0,1,0,1,0,0|1,0,0]=3 7414 B11R1.36 C[C@H](O)C(=O)C1CCOCC1 1458a_217856618621_100011324220 [0,1,0,1,0,0|1,0,0]=3 7415 B11R1.36 C[C@H](O)C(=O)N1CC=CCC1 1626a_100000698166_217856618621 [0,1,0,1,0,0|1,0,1]=4 7416 B11R1.36 C[C@H](O)C(=O)N1CC=CCC1 240690a_100000698166_217856618621 [0,1,0,1,0,0|1,0,1]=4 7417 B11R1.36 C[C@H](O)C(=O)N1CCCOC1 240690a_100000131196_217856618621 [0,1,0,1,0,0|1,0,0]=3 7418 B11R1.36 C[C@H](O)C(=O)N1CCOCC1 1626a_100015191051_217856618621 [0,1,0,1,0,0|1,0,0]=3 7419 B11R1.36 C[C@H](O)C(=O)N1CCOCC1 240690a_100015191051_217856618621 [0,1,0,1,0,0|1,0,0]=3 7420 B11R1.36 C[C@H](O)C(=O)N1CCSCC1 240690a_100000737611_217856618621 [0,1,0,1,0,0|1,0,0]=3 7421 B11R1.36 O=C(C(O)O)C1CCCCC1 1458a_100000233687_100000210327 [0,1,0,1,0,0|2,0,0]=4 7422 B11R1.36 O=C(C(O)O)C1CCCOC1 1458a_100000233687_100000693364 [0,1,0,1,0,0|2,0,0]=4 7423 B11R1.36 O=C(C(O)O)C1CCOCC1 1458a_100000233687_100011324220 [0,1,0,1,0,0|2,0,0]=4 7424 B11R1.36 O=C(C(O)O)N1CCCOC1 240690a_100000131196_100000233687 [0,1,0,1,0,0|2,0,0]=4 7425 B11R1.36 O=C(C(O)O)N1CCOCC1 240690a_100015191051_100000233687 [0,1,0,1,0,0|2,0,0]=4 7426 B11R1.36 O=C(C(O)O)N1CCSCC1 240690a_100000737611_100000233687 [0,1,0,1,0,0|2,0,0]=4 7427 B11R1.142 CC(C)C(=O)CN1CCC1C 269982a_100000755817_100000753385 [0,1,0,1,0,0|2,0,0]=4 7428 B11R1.142 CC(C)C(=O)CN1CCC1C 34a_100000755817_100000753385 [0,1,0,1,0,0|2,0,0]=4 7429 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_100000210303_200009893386 [0,1,0,1,0,0|1,0,1]=4 7430 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210303 [0,1,0,1,0,0|1,0,1]=4 7431 B11R1.268 CCN1CCNC(=O)C1(C)C 2230a_100000751695_100000210202 [0,1,0,1,0,0|2,0,0]=4 7432 B11R1.268 CCN1CCNC(=O)C1(C)C 269982a_100000751695_100000204670 [0,1,0,1,0,0|2,0,0]=4 7433 B11R1.268 CCN1CCNC(=O)C1(C)C 34a_100000751695_100000210202 [0,1,0,1,0,0|2,0,0]=4 7434 B11R1.332 CC(=NNC1CCC1)C(C)O 4a_100000736358_100000212229 [0,1,0,1,0,0|2,0,0]=4 7435 B11R1.332 CC(=O)C(=O)COC1CCC1 34a_100000748187_100011261029 [0,1,0,1,0,0|0,0,2]=4 7436 B11R1.332 CC(C)C(=O)CNC1CCC1 2230a_100000749019_100000753385 [0,1,0,1,0,0|2,0,0]=4 7437 B11R1.332 CC(C)C(=O)CNC1CCC1 34a_100000749019_100000753385 [0,1,0,1,0,0|2,0,0]=4 7438 B11R1.332 CC(C)C(=O)COC1CCC1 34a_100000748187_100000753385 [0,1,0,1,0,0|1,0,0]=3 7439 B11R1.332 CC(C)C(=O)COC1CSC1 7a_100000072292_100000753385 [0,1,0,1,0,0|2,0,0]=4 7440 B11R1.332 CC(C)C(=O)CSC1CCC1 62a_100000753385_100000749161 [0,1,0,1,0,0|1,1,0]=4 7441 B11R1.332 CC(C)C(=O)NCC1CCC1 11a_100000738700_100000210198 [0,1,0,1,0,0|2,0,0]=4 7442 B11R1.332 CC(C)C(=O)NCC1CCC1 1626a_100000738700_100000210198 [0,1,0,1,0,0|2,0,0]=4 7443 B11R1.332 CC(C)C(=O)NCC1CCC1 240690a_100000738700_100000210198 [0,1,0,1,0,0|2,0,0]=4 7444 B11R1.332 CC(C)C(=O)NCC1CCC1 527a_100000738700_100000210198 [0,1,0,1,0,0|2,0,0]=4 7445 B11R1.332 CC(C)C(=O)NCC1COC1 11a_100015281925_100000210198 [0,1,0,1,0,0|2,0,0]=4 7446 B11R1.332 CC(C)C(=O)NCC1COC1 1626a_100015281925_100000210198 [0,1,0,1,0,0|2,0,0]=4 7447 B11R1.332 CC(C)C(=O)NCC1COC1 240690a_100015281925_100000210198 [0,1,0,1,0,0|2,0,0]=4 7448 B11R1.332 CC(C)C(=O)NCC1COC1 527a_100015281925_100000210198 [0,1,0,1,0,0|2,0,0]=4 7449 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 11a_100020831831_100000210198 [0,1,0,1,0,0|2,0,0]=4 7450 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210198 [0,1,0,1,0,0|2,0,0]=4 7451 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210198 [0,1,0,1,0,0|2,0,0]=4 7452 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 527a_100020831831_100000210198 [0,1,0,1,0,0|2,0,0]=4 7453 B11R1.332 CC(C)C(=O)NNC1CCC1 22a_100000736358_100000210198 [0,1,0,1,0,0|2,0,0]=4 7454 B11R1.332 CC(F)C(=O)NCC1CCC1 11a_100000738700_100000062450 [0,1,0,1,0,0|2,0,0]=4 7455 B11R1.332 CC(F)C(=O)NCC1CCC1 1626a_100000738700_100000062450 [0,1,0,1,0,0|2,0,0]=4 7456 B11R1.332 CC(F)C(=O)NCC1CCC1 240690a_100000738700_100000062450 [0,1,0,1,0,0|2,0,0]=4 7457 B11R1.332 CC(F)C(=O)NCC1CCC1 527a_100000738700_100000062450 [0,1,0,1,0,0|2,0,0]=4 7458 B11R1.332 CC(F)C(=O)NCC1COC1 11a_100015281925_100000062450 [0,1,0,1,0,0|2,0,0]=4 7459 B11R1.332 CC(F)C(=O)NCC1COC1 1626a_100015281925_100000062450 [0,1,0,1,0,0|2,0,0]=4 7460 B11R1.332 CC(F)C(=O)NCC1COC1 240690a_100015281925_100000062450 [0,1,0,1,0,0|2,0,0]=4 7461 B11R1.332 CC(F)C(=O)NCC1COC1 527a_100015281925_100000062450 [0,1,0,1,0,0|2,0,0]=4 7462 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 11a_100020831831_100000062450 [0,1,0,1,0,0|2,0,0]=4 7463 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100000062450 [0,1,0,1,0,0|2,0,0]=4 7464 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000062450 [0,1,0,1,0,0|2,0,0]=4 7465 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 527a_100020831831_100000062450 [0,1,0,1,0,0|2,0,0]=4 7466 B11R1.332 CC(F)C(=O)NNC1CCC1 22a_100000736358_100000062450 [0,1,0,1,0,0|2,0,0]=4 7467 B11R1.332 CN(C)C(=O)COC1CCC1 34a_100000748187_100000692301 [0,1,0,1,0,0|2,0,0]=4 7468 B11R1.332 C[C@@H](O)C(=O)NCC1CCC1 240690a_100000738700_100000717761 [0,1,0,1,0,0|1,0,0]=3 7469 B11R1.332 C[C@@H](O)C(=O)NCC1COC1 240690a_100015281925_100000717761 [0,1,0,1,0,0|1,0,0]=3 7470 B11R1.332 C[C@@H](O)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000717761 [0,1,0,1,0,0|1,0,0]=3 7471 B11R1.332 C[C@@H](O)C(=O)NNC1CCC1 22a_100000736358_100000717761 [0,1,0,1,0,0|1,0,0]=3 7472 B11R1.332 C[C@@H](O)C(=O)NNC1COC1 22a_100015188821_100000717761 [0,1,0,1,0,0|2,0,0]=4 7473 B11R1.332 C[C@H](O)C(=O)NCC1CCC1 1626a_100000738700_217856618621 [0,1,0,1,0,0|1,0,0]=3 7474 B11R1.332 C[C@H](O)C(=O)NCC1CCC1 240690a_100000738700_217856618621 [0,1,0,1,0,0|1,0,0]=3 7475 B11R1.332 C[C@H](O)C(=O)NCC1COC1 1626a_100015281925_217856618621 [0,1,0,1,0,0|1,0,0]=3 7476 B11R1.332 C[C@H](O)C(=O)NCC1COC1 240690a_100015281925_217856618621 [0,1,0,1,0,0|1,0,0]=3 7477 B11R1.332 C[C@H](O)C(=O)NC[C@@H]1CCO1 1626a_100020831831_217856618621 [0,1,0,1,0,0|1,0,0]=3 7478 B11R1.332 C[C@H](O)C(=O)NC[C@@H]1CCO1 240690a_100020831831_217856618621 [0,1,0,1,0,0|1,0,0]=3 7479 B11R1.332 C[C@H](O)C(=O)NNC1CCC1 22a_100000736358_217856618621 [0,1,0,1,0,0|1,0,0]=3 7480 B11R1.332 C[C@H](O)C(=O)NNC1COC1 22a_100015188821_217856618621 [0,1,0,1,0,0|2,0,0]=4 7481 B11R1.332 O=C(NCC1CCC1)C(O)O 240690a_100000738700_100000233687 [0,1,0,1,0,0|2,0,0]=4 7482 B11R1.332 O=C(NCC1COC1)C(O)O 240690a_100015281925_100000233687 [0,1,0,1,0,0|2,0,0]=4 7483 B11R1.332 O=C(NC[C@@H]1CCO1)C(O)O 240690a_100020831831_100000233687 [0,1,0,1,0,0|2,0,0]=4 7484 B11R1.332 O=C(NNC1CCC1)C(O)O 22a_100000736358_100000233687 [0,1,0,1,0,0|2,0,0]=4 7485 B11R1.333 CC(=NNCC1CC1)C(C)O 4a_100000736359_100000212229 [0,1,0,1,0,0|2,0,0]=4 7486 B11R1.333 CC(=O)C(=O)COCC1CC1 34a_100000211283_100011261029 [0,1,0,1,0,0|0,0,2]=4 7487 B11R1.333 CC(C)C(=O)CCCC1CO1 1458a_100000210198_100000733510 [0,1,0,1,0,0|2,0,0]=4 7488 B11R1.333 CC(C)C(=O)CNCC1CC1 2230a_100000735609_100000753385 [0,1,0,1,0,0|2,0,0]=4 7489 B11R1.333 CC(C)C(=O)CNCC1CC1 34a_100000735609_100000753385 [0,1,0,1,0,0|2,0,0]=4 7490 B11R1.333 CC(C)C(=O)COCC1CC1 34a_100000211283_100000753385 [0,1,0,1,0,0|1,0,0]=3 7491 B11R1.333 CC(C)C(=O)COC[C@@H]1CO1 34a_100000757423_100000753385 [0,1,0,1,0,0|2,0,0]=4 7492 B11R1.333 CC(C)C(=O)CSCC1CC1 1458a_200011316215_100000210206 [0,1,0,1,0,0|1,1,0]=4 7493 B11R1.333 CC(C)C(=O)CSCC1CC1 62a_100000753385_100000742324 [0,1,0,1,0,0|1,1,0]=4 7494 B11R1.333 CC(C)C(=O)CSCC1CC1 62a_100000756562_100000753385 [0,1,0,1,0,0|1,1,0]=4 7495 B11R1.333 CC(C)C(=O)NCCC1CC1 1626a_100000764129_100000210198 [0,1,0,1,0,0|2,0,0]=4 7496 B11R1.333 CC(C)C(=O)NCCC1CC1 240690a_100000764129_100000210198 [0,1,0,1,0,0|2,0,0]=4 7497 B11R1.333 CC(C)C(=O)NCCC1CC1 527a_100000764129_100000210198 [0,1,0,1,0,0|2,0,0]=4 7498 B11R1.333 CC(C)C(=O)NNCC1CC1 22a_100000736359_100000210198 [0,1,0,1,0,0|2,0,0]=4 7499 B11R1.333 CC(C)C(=O)OCSC1CC1 62a_100000139345_100000211595 [0,1,0,1,0,0|1,0,0]=3 7500 B11R1.333 CC(F)C(=O)CCCC1CO1 1458a_100000062450_100000733510 [0,1,0,1,0,0|2,0,0]=4 7501 B11R1.333 CC(F)C(=O)NCCC1CC1 1626a_100000764129_100000062450 [0,1,0,1,0,0|2,0,0]=4 7502 B11R1.333 CC(F)C(=O)NCCC1CC1 240690a_100000764129_100000062450 [0,1,0,1,0,0|2,0,0]=4 7503 B11R1.333 CC(F)C(=O)NCCC1CC1 527a_100000764129_100000062450 [0,1,0,1,0,0|2,0,0]=4 7504 B11R1.333 CC(F)C(=O)NNCC1CC1 22a_100000736359_100000062450 [0,1,0,1,0,0|2,0,0]=4 7505 B11R1.333 CN(C)C(=O)COCC1CC1 34a_100000211283_100000692301 [0,1,0,1,0,0|2,0,0]=4 7506 B11R1.333 C[C@@H](O)C(=O)CC#CC1CC1 1458a_100000717761_100009895102 [0,1,0,1,0,0|1,0,1]=4 7507 B11R1.333 C[C@@H](O)C(=O)CCCC1CO1 1458a_100000717761_100000733510 [0,1,0,1,0,0|1,0,0]=3 7508 B11R1.333 C[C@@H](O)C(=O)NCCC1CC1 240690a_100000764129_100000717761 [0,1,0,1,0,0|1,0,0]=3 7509 B11R1.333 C[C@@H](O)C(=O)NNCC1CC1 22a_100000736359_100000717761 [0,1,0,1,0,0|1,0,0]=3 7510 B11R1.333 C[C@H](O)C(=O)CC#CC1CC1 1458a_217856618621_100009895102 [0,1,0,1,0,0|1,0,1]=4 7511 B11R1.333 C[C@H](O)C(=O)CCCC1CO1 1458a_217856618621_100000733510 [0,1,0,1,0,0|1,0,0]=3 7512 B11R1.333 C[C@H](O)C(=O)NCCC1CC1 1626a_100000764129_217856618621 [0,1,0,1,0,0|1,0,0]=3 7513 B11R1.333 C[C@H](O)C(=O)NCCC1CC1 240690a_100000764129_217856618621 [0,1,0,1,0,0|1,0,0]=3 7514 B11R1.333 C[C@H](O)C(=O)NNCC1CC1 22a_100000736359_217856618621 [0,1,0,1,0,0|1,0,0]=3 7515 B11R1.333 O=C(CCCC1CO1)C(O)O 1458a_100000233687_100000733510 [0,1,0,1,0,0|2,0,0]=4 7516 B11R1.333 O=C(NCCC1CC1)C(O)O 240690a_100000764129_100000233687 [0,1,0,1,0,0|2,0,0]=4 7517 B11R1.333 O=C(NNCC1CC1)C(O)O 22a_100000736359_100000233687 [0,1,0,1,0,0|2,0,0]=4 7518 B11R1.356 C#CCCCCC(=O)C1CO1 1458a_100000701028_100010269958 [0,1,0,1,0,0|1,0,1]=4 7519 B11R1.356 C#CCCCNC(=O)C1CO1 11a_100000718082_100000701028 [0,1,0,1,0,0|1,0,1]=4 7520 B11R1.356 C#CCCCNC(=O)C1CO1 1626a_100000718082_100000701028 [0,1,0,1,0,0|1,0,1]=4 7521 B11R1.356 C#CCCCNC(=O)C1CO1 240690a_100000718082_100000701028 [0,1,0,1,0,0|1,0,1]=4 7522 B11R1.356 C#CCCCNC(=O)C1CO1 527a_100000718082_100000701028 [0,1,0,1,0,0|1,0,1]=4 7523 B11R1.356 C=CCCCCC(=O)C1CO1 1458a_100000701028_100011215482 [0,1,0,1,0,0|1,0,1]=4 7524 B11R1.356 C=CCCCNC(=O)C1CO1 11a_100000700776_100000701028 [0,1,0,1,0,0|1,0,1]=4 7525 B11R1.356 C=CCCCNC(=O)C1CO1 1626a_100000700776_100000701028 [0,1,0,1,0,0|1,0,1]=4 7526 B11R1.356 C=CCCCNC(=O)C1CO1 240690a_100000700776_100000701028 [0,1,0,1,0,0|1,0,1]=4 7527 B11R1.356 C=CCCCNC(=O)C1CO1 527a_100000700776_100000701028 [0,1,0,1,0,0|1,0,1]=4 7528 B11R1.356 CC/C=C\CCC(=O)C1CO1 1458a_100000701028_100015370543 [0,1,0,1,0,0|1,0,1]=4 7529 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,1,0,1,0,0|2,0,0]=4 7530 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,1,0,1,0,0|1,0,0]=3 7531 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [0,1,0,1,0,0|2,0,0]=4 7532 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [0,1,0,1,0,0|2,0,0]=4 7533 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [0,1,0,1,0,0|2,0,0]=4 7534 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [0,1,0,1,0,0|2,0,0]=4 7535 B11R1.356 CCCCCNC(=O)C1CO1 11a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 7536 B11R1.356 CCCCCNC(=O)C1CO1 1626a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 7537 B11R1.356 CCCCCNC(=O)C1CO1 240690a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 7538 B11R1.356 CCCCCNC(=O)C1CO1 527a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 7539 B11R1.356 CCCCNCC(=O)C1CC1 2230a_100000102301_100000746382 [0,1,0,1,0,0|2,0,0]=4 7540 B11R1.356 CCCCNCC(=O)C1CC1 7a_106832991798_100000746382 [0,1,0,1,0,0|2,0,0]=4 7541 B11R1.356 CCCCNN=C(C)C1CO1 4a_100025702795_100000031964 [0,1,0,1,0,0|2,0,0]=4 7542 B11R1.356 CCCCNNC(=O)C1CC1 22a_100025702795_100000210395 [0,1,0,1,0,0|2,0,0]=4 7543 B11R1.356 CCCCNNC(=O)C1CO1 22a_100025702795_100000701028 [0,1,0,1,0,0|1,0,0]=3 7544 B11R1.356 CCCCOCC(=O)C1CC1 1458a_100000210395_100011995733 [0,1,0,1,0,0|1,0,0]=3 7545 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000210227_100000746382 [0,1,0,1,0,0|1,0,0]=3 7546 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000686663_100000210210 [0,1,0,1,0,0|1,0,0]=3 7547 B11R1.356 CCCCOCC(=O)C1CC1 7a_100000210227_100000746382 [0,1,0,1,0,0|1,0,0]=3 7548 B11R1.356 CCCCOCC(=O)C1CO1 1458a_100000701028_100011995733 [0,1,0,1,0,0|0,0,0]=2 7549 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000210211_100000746382 [0,1,0,1,0,0|1,1,0]=4 7550 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000746382_100000210210 [0,1,0,1,0,0|1,1,0]=4 7551 B11R1.356 CCCOCCC(=O)C1CC1 1458a_100000210395_100011215938 [0,1,0,1,0,0|2,0,0]=4 7552 B11R1.356 CCCOCCC(=O)C1CO1 1458a_100000701028_100011215938 [0,1,0,1,0,0|1,0,0]=3 7553 B11R1.356 CCCOCOC(=O)C1CC1 34a_100000210258_100000140896 [0,1,0,1,0,0|1,0,0]=3 7554 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000140896_100000210303 [0,1,0,1,0,0|1,0,0]=3 7555 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000210303_100000140896 [0,1,0,1,0,0|1,0,0]=3 7556 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [0,1,0,1,0,0|2,0,0]=4 7557 B11R1.356 CCOCCCC(=O)C1CO1 1458a_100000701028_100012232248 [0,1,0,1,0,0|1,0,0]=3 7558 B11R1.356 CCOCCNC(=O)C1CC1 11a_100011200944_100000210395 [0,1,0,1,0,0|2,0,0]=4 7559 B11R1.356 CCOCCNC(=O)C1CC1 1626a_102516460346_100000210395 [0,1,0,1,0,0|2,0,0]=4 7560 B11R1.356 CCOCCNC(=O)C1CC1 240690a_100011200944_100000210395 [0,1,0,1,0,0|2,0,0]=4 7561 B11R1.356 CCOCCNC(=O)C1CC1 527a_100011200944_100000210395 [0,1,0,1,0,0|2,0,0]=4 7562 B11R1.356 CCOCCNC(=O)C1CO1 11a_100011200944_100000701028 [0,1,0,1,0,0|1,0,0]=3 7563 B11R1.356 CCOCCNC(=O)C1CO1 1626a_102516460346_100000701028 [0,1,0,1,0,0|1,0,0]=3 7564 B11R1.356 CCOCCNC(=O)C1CO1 240690a_100011200944_100000701028 [0,1,0,1,0,0|1,0,0]=3 7565 B11R1.356 CCOCCNC(=O)C1CO1 527a_100011200944_100000701028 [0,1,0,1,0,0|1,0,0]=3 7566 B11R1.356 CCSCCNC(=O)C1CC1 11a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 7567 B11R1.356 CCSCCNC(=O)C1CC1 1626a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 7568 B11R1.356 CCSCCNC(=O)C1CC1 240690a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 7569 B11R1.356 CCSCCNC(=O)C1CC1 527a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 7570 B11R1.356 CCSCCNC(=O)C1CO1 11a_100000106463_100000701028 [0,1,0,1,0,0|1,0,0]=3 7571 B11R1.356 CCSCCNC(=O)C1CO1 1626a_100000106463_100000701028 [0,1,0,1,0,0|1,0,0]=3 7572 B11R1.356 CCSCCNC(=O)C1CO1 240690a_100000106463_100000701028 [0,1,0,1,0,0|1,0,0]=3 7573 B11R1.356 CCSCCNC(=O)C1CO1 527a_100000106463_100000701028 [0,1,0,1,0,0|1,0,0]=3 7574 B11R1.356 COCCCCC(=O)C1CC1 1458a_100000210395_100000755781 [0,1,0,1,0,0|2,0,0]=4 7575 B11R1.356 COCCCCC(=O)C1CO1 1458a_100000701028_100000755781 [0,1,0,1,0,0|1,0,0]=3 7576 B11R1.356 COCCCNC(=O)C1CC1 1626a_100150723488_100000210395 [0,1,0,1,0,0|2,0,0]=4 7577 B11R1.356 COCCCNC(=O)C1CC1 240690a_100150723488_100000210395 [0,1,0,1,0,0|2,0,0]=4 7578 B11R1.356 COCCCNC(=O)C1CC1 527a_100150723488_100000210395 [0,1,0,1,0,0|2,0,0]=4 7579 B11R1.356 COCCCNC(=O)C1CO1 1626a_100150723488_100000701028 [0,1,0,1,0,0|1,0,0]=3 7580 B11R1.356 COCCCNC(=O)C1CO1 240690a_100150723488_100000701028 [0,1,0,1,0,0|1,0,0]=3 7581 B11R1.356 COCCCNC(=O)C1CO1 527a_100150723488_100000701028 [0,1,0,1,0,0|1,0,0]=3 7582 B11R1.356 COCCNNC(=O)C1CO1 22a_100000741390_100000701028 [0,1,0,1,0,0|2,0,0]=4 7583 B11R1.356 COCCOCC(=O)C1CC1 34a_100000210237_100000746382 [0,1,0,1,0,0|2,0,0]=4 7584 B11R1.356 COCCOCC(=O)C1CC1 34a_100000686663_100011201679 [0,1,0,1,0,0|2,0,0]=4 7585 B11R1.356 COCSCOC(=O)C1CC1 62a_100000140896_100000766300 [0,1,0,1,0,0|2,0,0]=4 7586 B11R1.356 COCSCOC(=O)C1CC1 62a_100000766300_100000140896 [0,1,0,1,0,0|2,0,0]=4 7587 B11R1.356 CSCCCNC(=O)C1CC1 11a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 7588 B11R1.356 CSCCCNC(=O)C1CC1 1626a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 7589 B11R1.356 CSCCCNC(=O)C1CC1 240690a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 7590 B11R1.356 CSCCCNC(=O)C1CC1 527a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 7591 B11R1.356 CSCCCNC(=O)C1CO1 11a_100000749238_100000701028 [0,1,0,1,0,0|1,0,0]=3 7592 B11R1.356 CSCCCNC(=O)C1CO1 1626a_100000749238_100000701028 [0,1,0,1,0,0|1,0,0]=3 7593 B11R1.356 CSCCCNC(=O)C1CO1 240690a_100000749238_100000701028 [0,1,0,1,0,0|1,0,0]=3 7594 B11R1.356 CSCCCNC(=O)C1CO1 527a_100000749238_100000701028 [0,1,0,1,0,0|1,0,0]=3 7595 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000230434_100000746382 [0,1,0,1,0,0|2,0,0]=4 7596 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000686663_100000212216 [0,1,0,1,0,0|2,0,0]=4 7597 B11R1.356 CSCCOCC(=O)C1CC1 7a_100000230434_100000746382 [0,1,0,1,0,0|2,0,0]=4 7598 B11R1.356 CSCSCOC(=O)C1CC1 62a_100000140896_100011218213 [0,1,0,1,0,0|2,0,0]=4 7599 B11R1.356 CSCSCOC(=O)C1CC1 62a_100011218213_100000140896 [0,1,0,1,0,0|2,0,0]=4 7600 B11R1.356 N#CCCCCC(=O)C1CO1 1458a_100000701028_100000211819 [0,1,0,1,0,0|1,0,1]=4 7601 B11R1.356 NCCCOCC(=O)C1CC1 34a_100000182051_100000746382 [0,1,0,1,0,0|2,0,0]=4 7602 B11R1.356 NCCOCOC(=O)C1CC1 34a_100000210304_100000140896 [0,1,0,1,0,0|2,0,0]=4 7603 B11R1.356 O=C(CCCCCF)C1CC1 1458a_100000210395_100000729378 [0,1,0,1,0,0|2,0,0]=4 7604 B11R1.356 O=C(CCCCCF)C1CO1 1458a_100000701028_100000729378 [0,1,0,1,0,0|1,0,0]=3 7605 B11R1.356 O=C(CCCCCO)C1CC1 1458a_100000210395_100000746330 [0,1,0,1,0,0|2,0,0]=4 7606 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,1,0,1,0,0|1,0,0]=3 7607 B11R1.356 O=C(CCOCCO)C1CO1 1458a_100000701028_100011215305 [0,1,0,1,0,0|2,0,0]=4 7608 B11R1.356 O=C(COCCCBr)C1CC1 34a_100011217188_100000746382 [0,1,0,1,0,0|2,0,0]=4 7609 B11R1.356 O=C(COCCCCl)C1CC1 34a_100000230001_100000746382 [0,1,0,1,0,0|2,0,0]=4 7610 B11R1.356 O=C(COCCCF)C1CC1 34a_100000686663_100011934791 [0,1,0,1,0,0|2,0,0]=4 7611 B11R1.356 O=C(COCCCF)C1CC1 34a_100000759539_100000746382 [0,1,0,1,0,0|2,0,0]=4 7612 B11R1.356 O=C(COCCCO)C1CC1 34a_100000686663_100000230001 [0,1,0,1,0,0|2,0,0]=4 7613 B11R1.356 O=C(NCCCCO)C1CC1 240690a_100000750430_100000210395 [0,1,0,1,0,0|2,0,0]=4 7614 B11R1.356 O=C(NCCCCO)C1CC1 527a_100000750430_100000210395 [0,1,0,1,0,0|2,0,0]=4 7615 B11R1.356 O=C(NCCCCO)C1CO1 240690a_100000750430_100000701028 [0,1,0,1,0,0|1,0,0]=3 7616 B11R1.356 O=C(NCCCCO)C1CO1 527a_100000750430_100000701028 [0,1,0,1,0,0|1,0,0]=3 7617 B11R1.356 O=C(OCNCCF)C1CC1 34a_100000724931_100000140896 [0,1,0,1,0,0|2,0,0]=4 7618 B11R1.356 O=C(OCNCCO)C1CC1 2230a_100016997473_100000140896 [0,1,0,1,0,0|2,0,0]=4 7619 B11R1.356 O=C(OCNCCO)C1CC1 34a_100016990907_100000140896 [0,1,0,1,0,0|2,0,0]=4 7620 B11R1.356 O=C(OCOCCBr)C1CC1 34a_100000211926_100000140896 [0,1,0,1,0,0|2,0,0]=4 7621 B11R1.356 O=C(OCSCCF)C1CC1 62a_100000140896_100011217306 [0,1,0,1,0,0|2,0,0]=4 7622 B11R1.356 O=C(OCSCCF)C1CC1 62a_100011217306_100000140896 [0,1,0,1,0,0|2,0,0]=4 7623 B11R1.356 O=C(OCSCCO)C1CC1 62a_100000140896_100000211926 [0,1,0,1,0,0|2,0,0]=4 7624 B11R1.356 O=C(OCSCCO)C1CC1 62a_100000211926_100000140896 [0,1,0,1,0,0|2,0,0]=4 7625 B11R1.314 CC(C)C(=O)C1CCC(C1)O 1458a_100000688591_100000210206 [0,1,0,1,0,0|2,0,0]=4 7626 B11R1.314 CC(C)C(=O)N1CCC(C1)O 240690a_100011215560_100000210198 [0,1,0,1,0,0|2,0,0]=4 7627 B11R1.314 CC(C)C(=O)N1CCC(C1)O 527a_100011215560_100000210198 [0,1,0,1,0,0|2,0,0]=4 7628 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210198 [0,1,0,1,0,0|2,0,0]=4 7629 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210198 [0,1,0,1,0,0|2,0,0]=4 7630 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210198 [0,1,0,1,0,0|2,0,0]=4 7631 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210198 [0,1,0,1,0,0|2,0,0]=4 7632 B11R1.314 CC(C)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000210198 [0,1,0,1,0,0|2,0,0]=4 7633 B11R1.314 CC(C)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210198 [0,1,0,1,0,0|2,0,0]=4 7634 B11R1.314 CC(C)C(=O)N1CC[C@H](C1)C 527a_100016987628_100000210198 [0,1,0,1,0,0|2,0,0]=4 7635 B11R1.314 CC(F)C(=O)N1CCC(C1)O 240690a_100011215560_100000062450 [0,1,0,1,0,0|2,0,0]=4 7636 B11R1.314 CC(F)C(=O)N1CCC(C1)O 527a_100011215560_100000062450 [0,1,0,1,0,0|2,0,0]=4 7637 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 11a_100015203821_100000062450 [0,1,0,1,0,0|2,0,0]=4 7638 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000062450 [0,1,0,1,0,0|2,0,0]=4 7639 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000062450 [0,1,0,1,0,0|2,0,0]=4 7640 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 527a_100015203821_100000062450 [0,1,0,1,0,0|2,0,0]=4 7641 B11R1.314 CC(F)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000062450 [0,1,0,1,0,0|2,0,0]=4 7642 B11R1.314 CC(F)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100000062450 [0,1,0,1,0,0|2,0,0]=4 7643 B11R1.314 CC(F)C(=O)N1CC[C@H](C1)C 527a_100016987628_100000062450 [0,1,0,1,0,0|2,0,0]=4 7644 B11R1.314 C[C@@H](O)C(=O)N1CCC(C1)O 240690a_100011215560_100000717761 [0,1,0,1,0,0|1,0,0]=3 7645 B11R1.314 C[C@@H](O)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000717761 [0,1,0,1,0,0|1,0,0]=3 7646 B11R1.314 C[C@@H]1CCN(C1)C(=O)C(O)O 240690a_100016987628_100000233687 [0,1,0,1,0,0|2,0,0]=4 7647 B11R1.314 C[C@@H]1CCN(C1)C(=O)[C@@H](C)O 240690a_100016987628_100000717761 [0,1,0,1,0,0|1,0,0]=3 7648 B11R1.314 C[C@@H]1CCN(C1)C(=O)[C@H](C)O 240690a_100016987628_217856618621 [0,1,0,1,0,0|1,0,0]=3 7649 B11R1.314 C[C@H](O)C(=O)N1CCC(C1)O 240690a_100011215560_217856618621 [0,1,0,1,0,0|1,0,0]=3 7650 B11R1.314 C[C@H](O)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_217856618621 [0,1,0,1,0,0|1,0,0]=3 7651 B11R1.314 C[C@H](O)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_217856618621 [0,1,0,1,0,0|1,0,0]=3 7652 B11R1.314 O=C(C(O)O)N1CCC(C1)O 240690a_100011215560_100000233687 [0,1,0,1,0,0|2,0,0]=4 7653 B11R1.314 O=C(C(O)O)N1CC[C@@H](C1)F 240690a_100015203821_100000233687 [0,1,0,1,0,0|2,0,0]=4 7654 B11R1.321 CCC1CN(C1)C(=O)C(C)C 11a_100015205115_100000210198 [0,1,0,1,0,0|2,0,0]=4 7655 B11R1.321 CCC1CN(C1)C(=O)C(C)C 1626a_100015205115_100000210198 [0,1,0,1,0,0|2,0,0]=4 7656 B11R1.321 CCC1CN(C1)C(=O)C(C)C 240690a_100015205115_100000210198 [0,1,0,1,0,0|2,0,0]=4 7657 B11R1.321 CCC1CN(C1)C(=O)C(C)C 527a_100015205115_100000210198 [0,1,0,1,0,0|2,0,0]=4 7658 B11R1.321 CCC1CN(C1)C(=O)C(C)F 11a_100015205115_100000062450 [0,1,0,1,0,0|2,0,0]=4 7659 B11R1.321 CCC1CN(C1)C(=O)C(C)F 1626a_100015205115_100000062450 [0,1,0,1,0,0|2,0,0]=4 7660 B11R1.321 CCC1CN(C1)C(=O)C(C)F 240690a_100015205115_100000062450 [0,1,0,1,0,0|2,0,0]=4 7661 B11R1.321 CCC1CN(C1)C(=O)C(C)F 527a_100015205115_100000062450 [0,1,0,1,0,0|2,0,0]=4 7662 B11R1.321 CCC1CN(C1)C(=O)C(O)O 240690a_100015205115_100000233687 [0,1,0,1,0,0|2,0,0]=4 7663 B11R1.321 CCC1CN(C1)C(=O)[C@@H](C)O 240690a_100015205115_100000717761 [0,1,0,1,0,0|1,0,0]=3 7664 B11R1.321 CCC1CN(C1)C(=O)[C@H](C)O 1626a_100015205115_217856618621 [0,1,0,1,0,0|1,0,0]=3 7665 B11R1.321 CCC1CN(C1)C(=O)[C@H](C)O 240690a_100015205115_217856618621 [0,1,0,1,0,0|1,0,0]=3 7666 B11R1.321 COC1CN(C1)C(=O)[C@@H](C)O 240690a_100000755009_100000717761 [0,1,0,1,0,0|2,0,0]=4 7667 B11R1.321 COC1CN(C1)C(=O)[C@H](C)O 1626a_100000755009_217856618621 [0,1,0,1,0,0|2,0,0]=4 7668 B11R1.321 COC1CN(C1)C(=O)[C@H](C)O 240690a_100000755009_217856618621 [0,1,0,1,0,0|2,0,0]=4 7669 B11R1.321 CSC1CN(C1)C(=O)[C@@H](C)O 240690a_100016990038_100000717761 [0,1,0,1,0,0|2,0,0]=4 7670 B11R1.321 CSC1CN(C1)C(=O)[C@H](C)O 1626a_100016990038_217856618621 [0,1,0,1,0,0|2,0,0]=4 7671 B11R1.321 CSC1CN(C1)C(=O)[C@H](C)O 240690a_100016990038_217856618621 [0,1,0,1,0,0|2,0,0]=4 7672 B11R1.321 C[C@@H](O)C(=O)N1CC(C1)CF 240690a_100010363649_100000717761 [0,1,0,1,0,0|2,0,0]=4 7673 B11R1.321 C[C@@H](O)C(=O)N1CC(C1)CO 240690a_100016987283_100000717761 [0,1,0,1,0,0|2,0,0]=4 7674 B11R1.321 C[C@H](O)C(=O)N1CC(C1)CF 240690a_100010363649_217856618621 [0,1,0,1,0,0|2,0,0]=4 7675 B11R1.321 C[C@H](O)C(=O)N1CC(C1)CO 240690a_100016987283_217856618621 [0,1,0,1,0,0|2,0,0]=4 7676 B11R1.501 CC(C)C(=O)N(C)C1CCC1 11a_100000758072_100000210198 [0,1,0,1,0,0|2,0,0]=4 7677 B11R1.501 CC(C)C(=O)N(C)C1CCC1 1626a_100000758072_100000210198 [0,1,0,1,0,0|2,0,0]=4 7678 B11R1.501 CC(C)C(=O)N(C)C1CCC1 240690a_100000758072_100000210198 [0,1,0,1,0,0|2,0,0]=4 7679 B11R1.501 CC(C)C(=O)N(C)C1CCC1 527a_100000758072_100000210198 [0,1,0,1,0,0|2,0,0]=4 7680 B11R1.501 CC(F)C(=O)N(C)C1CCC1 11a_100000758072_100000062450 [0,1,0,1,0,0|2,0,0]=4 7681 B11R1.501 CC(F)C(=O)N(C)C1CCC1 1626a_100000758072_100000062450 [0,1,0,1,0,0|2,0,0]=4 7682 B11R1.501 CC(F)C(=O)N(C)C1CCC1 240690a_100000758072_100000062450 [0,1,0,1,0,0|2,0,0]=4 7683 B11R1.501 CC(F)C(=O)N(C)C1CCC1 527a_100000758072_100000062450 [0,1,0,1,0,0|2,0,0]=4 7684 B11R1.501 CN(C(=O)C(O)O)C1CCC1 240690a_100000758072_100000233687 [0,1,0,1,0,0|2,0,0]=4 7685 B11R1.501 C[C@@H](O)C(=O)N(C)C1CCC1 240690a_100000758072_100000717761 [0,1,0,1,0,0|1,0,0]=3 7686 B11R1.501 C[C@@H](O)C(=O)N(C)C1COC1 240690a_100102693430_100000717761 [0,1,0,1,0,0|2,0,0]=4 7687 B11R1.501 C[C@H](O)C(=O)N(C)C1CCC1 1626a_100000758072_217856618621 [0,1,0,1,0,0|1,0,0]=3 7688 B11R1.501 C[C@H](O)C(=O)N(C)C1CCC1 240690a_100000758072_217856618621 [0,1,0,1,0,0|1,0,0]=3 7689 B11R1.501 C[C@H](O)C(=O)N(C)C1COC1 1626a_100102693430_217856618621 [0,1,0,1,0,0|2,0,0]=4 7690 B11R1.501 C[C@H](O)C(=O)N(C)C1COC1 240690a_100102693430_217856618621 [0,1,0,1,0,0|2,0,0]=4 7691 B11R1.503 CC(C)C(=O)N(C)CC1CC1 11a_100000741881_100000210198 [0,1,0,1,0,0|2,0,0]=4 7692 B11R1.503 CC(C)C(=O)N(C)CC1CC1 1626a_100000741881_100000210198 [0,1,0,1,0,0|2,0,0]=4 7693 B11R1.503 CC(C)C(=O)N(C)CC1CC1 240690a_100000741881_100000210198 [0,1,0,1,0,0|2,0,0]=4 7694 B11R1.503 CC(C)C(=O)N(C)CC1CC1 527a_100000741881_100000210198 [0,1,0,1,0,0|2,0,0]=4 7695 B11R1.503 CC(F)C(=O)N(C)CC1CC1 11a_100000741881_100000062450 [0,1,0,1,0,0|2,0,0]=4 7696 B11R1.503 CC(F)C(=O)N(C)CC1CC1 1626a_100000741881_100000062450 [0,1,0,1,0,0|2,0,0]=4 7697 B11R1.503 CC(F)C(=O)N(C)CC1CC1 240690a_100000741881_100000062450 [0,1,0,1,0,0|2,0,0]=4 7698 B11R1.503 CC(F)C(=O)N(C)CC1CC1 527a_100000741881_100000062450 [0,1,0,1,0,0|2,0,0]=4 7699 B11R1.503 CN(CC1CC1)C(=O)C(O)O 240690a_100000741881_100000233687 [0,1,0,1,0,0|2,0,0]=4 7700 B11R1.503 C[C@@H](O)C(=O)N(C)CC1CC1 240690a_100000741881_100000717761 [0,1,0,1,0,0|1,0,0]=3 7701 B11R1.503 C[C@H](O)C(=O)N(C)CC1CC1 1626a_100000741881_217856618621 [0,1,0,1,0,0|1,0,0]=3 7702 B11R1.503 C[C@H](O)C(=O)N(C)CC1CC1 240690a_100000741881_217856618621 [0,1,0,1,0,0|1,0,0]=3 7703 B11R1.526 CCCCC(C)C(=O)C1CC1 1458a_100000210395_200011215066 [0,1,0,1,0,0|2,0,0]=4 7704 B11R1.526 CCCCC(C)C(=O)C1CO1 1458a_100000701028_200011215066 [0,1,0,1,0,0|1,0,0]=3 7705 B11R1.526 CCCCN(C)C(=O)C1CC1 11a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 7706 B11R1.526 CCCCN(C)C(=O)C1CC1 1626a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 7707 B11R1.526 CCCCN(C)C(=O)C1CC1 240690a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 7708 B11R1.526 CCCCN(C)C(=O)C1CC1 527a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 7709 B11R1.526 CCCCN(C)C(=O)C1CO1 11a_100000207549_100000701028 [0,1,0,1,0,0|1,0,0]=3 7710 B11R1.526 CCCCN(C)C(=O)C1CO1 1626a_100000207549_100000701028 [0,1,0,1,0,0|1,0,0]=3 7711 B11R1.526 CCCCN(C)C(=O)C1CO1 240690a_100000207549_100000701028 [0,1,0,1,0,0|1,0,0]=3 7712 B11R1.526 CCCCN(C)C(=O)C1CO1 527a_100000207549_100000701028 [0,1,0,1,0,0|1,0,0]=3 7713 B11R1.526 CN(CCCO)C(=O)C1CO1 240690a_100000213112_100000701028 [0,1,0,1,0,0|2,0,0]=4 7714 B11R1.526 CN(CCCO)C(=O)C1CO1 527a_100000213112_100000701028 [0,1,0,1,0,0|2,0,0]=4 7715 B11R1.526 COCCN(C)C(=O)C1CO1 11a_100000743101_100000701028 [0,1,0,1,0,0|2,0,0]=4 7716 B11R1.526 COCCN(C)C(=O)C1CO1 1626a_100000743101_100000701028 [0,1,0,1,0,0|2,0,0]=4 7717 B11R1.526 COCCN(C)C(=O)C1CO1 240690a_100000743101_100000701028 [0,1,0,1,0,0|2,0,0]=4 7718 B11R1.526 COCCN(C)C(=O)C1CO1 527a_100000743101_100000701028 [0,1,0,1,0,0|2,0,0]=4 7719 B11R1.526 CSCCN(C)C(=O)C1CO1 11a_100000686725_100000701028 [0,1,0,1,0,0|2,0,0]=4 7720 B11R1.526 CSCCN(C)C(=O)C1CO1 1626a_100000686725_100000701028 [0,1,0,1,0,0|2,0,0]=4 7721 B11R1.526 CSCCN(C)C(=O)C1CO1 240690a_100000686725_100000701028 [0,1,0,1,0,0|2,0,0]=4 7722 B11R1.526 CSCCN(C)C(=O)C1CO1 527a_100000686725_100000701028 [0,1,0,1,0,0|2,0,0]=4 7723 B11R1.1105 CC(C)C(=O)C1(CCCC1)C 1458a_100000239728_100000210206 [0,1,0,1,0,0|2,0,0]=4 7724 B11R1.1105 CC(C)C(=O)C1(CCCC1)O 1458a_100000242637_100000210206 [0,1,0,1,0,0|2,0,0]=4 7725 B11R1.146 CC(C)C(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210198 [0,1,0,1,0,0|2,0,0]=4 7726 B11R1.146 CC(C)C(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210198 [0,1,0,1,0,0|2,0,0]=4 7727 B11R1.146 CC(C)C(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210198 [0,1,0,1,0,0|2,0,0]=4 7728 B11R1.146 CC(F)C(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000062450 [0,1,0,1,0,0|2,0,0]=4 7729 B11R1.146 CC(F)C(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000062450 [0,1,0,1,0,0|2,0,0]=4 7730 B11R1.146 CC(F)C(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000062450 [0,1,0,1,0,0|2,0,0]=4 7731 B11R1.146 C[C@@H](O)C(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000717761 [0,1,0,1,0,0|1,0,0]=3 7732 B11R1.146 C[C@H](O)C(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_217856618621 [0,1,0,1,0,0|1,0,0]=3 7733 B11R1.146 C[C@H]1[C@H](CN1C(=O)C(O)O)O 240690a_206633788156_100000233687 [0,1,0,1,0,0|2,0,0]=4 7734 B11R1.524 CC(CO)CNC(=O)C1CO1 240690a_100000744482_100000701028 [0,1,0,1,0,0|2,0,0]=4 7735 B11R1.524 CC(CO)CNC(=O)C1CO1 527a_100000744482_100000701028 [0,1,0,1,0,0|2,0,0]=4 7736 B11R1.524 CCC(=O)COC(=O)C1CC1 1458a_100000210414_100000140896 [0,1,0,1,0,0|1,0,1]=4 7737 B11R1.524 CCC(C)CNC(=O)C1CC1 11a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 7738 B11R1.524 CCC(C)CNC(=O)C1CC1 1626a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 7739 B11R1.524 CCC(C)CNC(=O)C1CC1 240690a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 7740 B11R1.524 CCC(C)CNC(=O)C1CC1 527a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 7741 B11R1.524 CCC(C)CNC(=O)C1CO1 11a_100020588543_100000701028 [0,1,0,1,0,0|1,0,0]=3 7742 B11R1.524 CCC(C)CNC(=O)C1CO1 1626a_100020588543_100000701028 [0,1,0,1,0,0|1,0,0]=3 7743 B11R1.524 CCC(C)CNC(=O)C1CO1 240690a_100020588543_100000701028 [0,1,0,1,0,0|1,0,0]=3 7744 B11R1.524 CCC(C)CNC(=O)C1CO1 527a_100020588543_100000701028 [0,1,0,1,0,0|1,0,0]=3 7745 B11R1.524 CCC(C)NNC(=O)C1CO1 22a_100000718999_100000701028 [0,1,0,1,0,0|2,0,0]=4 7746 B11R1.524 CCC(O)CNC(=O)C1CC1 11a_100011218483_100000210395 [0,1,0,1,0,0|2,0,0]=4 7747 B11R1.524 CCC(O)CNC(=O)C1CC1 240690a_100011218483_100000210395 [0,1,0,1,0,0|2,0,0]=4 7748 B11R1.524 CCC(O)CNC(=O)C1CC1 527a_100011218483_100000210395 [0,1,0,1,0,0|2,0,0]=4 7749 B11R1.524 CCC(O)CNC(=O)C1CO1 11a_100011218483_100000701028 [0,1,0,1,0,0|1,0,0]=3 7750 B11R1.524 CCC(O)CNC(=O)C1CO1 240690a_100011218483_100000701028 [0,1,0,1,0,0|1,0,0]=3 7751 B11R1.524 CCC(O)CNC(=O)C1CO1 527a_100011218483_100000701028 [0,1,0,1,0,0|1,0,0]=3 7752 B11R1.524 CCN(C)COC(=O)C1CC1 2230a_100000225621_100000140896 [0,1,0,1,0,0|2,0,0]=4 7753 B11R1.524 CCN(C)COC(=O)C1CC1 269982a_100000225621_100000140896 [0,1,0,1,0,0|2,0,0]=4 7754 B11R1.524 CO[C@H](C)CNC(=O)C1CO1 11a_100020591295_100000701028 [0,1,0,1,0,0|2,0,0]=4 7755 B11R1.524 CO[C@H](C)CNC(=O)C1CO1 1626a_100020591295_100000701028 [0,1,0,1,0,0|2,0,0]=4 7756 B11R1.524 CO[C@H](C)CNC(=O)C1CO1 240690a_100020591295_100000701028 [0,1,0,1,0,0|2,0,0]=4 7757 B11R1.524 CO[C@H](C)CNC(=O)C1CO1 527a_100020591295_100000701028 [0,1,0,1,0,0|2,0,0]=4 7758 B11R1.524 O=C(NC[C@@H](F)CO)C1CO1 240690a_100015665980_100000701028 [0,1,0,1,0,0|2,0,0]=4 7759 B11R1.524 O=C(NC[C@@H](F)CO)C1CO1 527a_100015665980_100000701028 [0,1,0,1,0,0|2,0,0]=4 7760 B11R1.524 O=C(NC[C@H](O)CO)C1CO1 240690a_100020644852_100000701028 [0,1,0,1,0,0|2,0,0]=4 7761 B11R1.524 O=C(NC[C@H](O)CO)C1CO1 527a_100020644852_100000701028 [0,1,0,1,0,0|2,0,0]=4 7762 B11R1.744 CC(C)C(=O)NCC1(CC1)C 11a_100000766693_100000210198 [0,1,0,1,0,0|2,0,0]=4 7763 B11R1.744 CC(C)C(=O)NCC1(CC1)C 1626a_100000766693_100000210198 [0,1,0,1,0,0|2,0,0]=4 7764 B11R1.744 CC(C)C(=O)NCC1(CC1)C 240690a_100000766693_100000210198 [0,1,0,1,0,0|2,0,0]=4 7765 B11R1.744 CC(C)C(=O)NCC1(CC1)C 527a_100000766693_100000210198 [0,1,0,1,0,0|2,0,0]=4 7766 B11R1.744 CC(C)C(=O)NCC1(CC1)O 11a_100011936951_100000210198 [0,1,0,1,0,0|2,0,0]=4 7767 B11R1.744 CC(C)C(=O)NCC1(CC1)O 240690a_100011936951_100000210198 [0,1,0,1,0,0|2,0,0]=4 7768 B11R1.744 CC(C)C(=O)NCC1(CC1)O 527a_100011936951_100000210198 [0,1,0,1,0,0|2,0,0]=4 7769 B11R1.744 CC(F)C(=O)NCC1(CC1)C 11a_100000766693_100000062450 [0,1,0,1,0,0|2,0,0]=4 7770 B11R1.744 CC(F)C(=O)NCC1(CC1)C 1626a_100000766693_100000062450 [0,1,0,1,0,0|2,0,0]=4 7771 B11R1.744 CC(F)C(=O)NCC1(CC1)C 240690a_100000766693_100000062450 [0,1,0,1,0,0|2,0,0]=4 7772 B11R1.744 CC(F)C(=O)NCC1(CC1)C 527a_100000766693_100000062450 [0,1,0,1,0,0|2,0,0]=4 7773 B11R1.744 CC(F)C(=O)NCC1(CC1)O 11a_100011936951_100000062450 [0,1,0,1,0,0|2,0,0]=4 7774 B11R1.744 CC(F)C(=O)NCC1(CC1)O 240690a_100011936951_100000062450 [0,1,0,1,0,0|2,0,0]=4 7775 B11R1.744 CC(F)C(=O)NCC1(CC1)O 527a_100011936951_100000062450 [0,1,0,1,0,0|2,0,0]=4 7776 B11R1.744 CC1(CC1)CNC(=O)C(O)O 240690a_100000766693_100000233687 [0,1,0,1,0,0|2,0,0]=4 7777 B11R1.744 C[C@@H](O)C(=O)NCC1(CC1)C 240690a_100000766693_100000717761 [0,1,0,1,0,0|1,0,0]=3 7778 B11R1.744 C[C@@H](O)C(=O)NCC1(CC1)O 240690a_100011936951_100000717761 [0,1,0,1,0,0|1,0,0]=3 7779 B11R1.744 C[C@H](O)C(=O)NCC1(CC1)C 1626a_100000766693_217856618621 [0,1,0,1,0,0|1,0,0]=3 7780 B11R1.744 C[C@H](O)C(=O)NCC1(CC1)C 240690a_100000766693_217856618621 [0,1,0,1,0,0|1,0,0]=3 7781 B11R1.744 C[C@H](O)C(=O)NCC1(CC1)O 240690a_100011936951_217856618621 [0,1,0,1,0,0|1,0,0]=3 7782 B11R1.744 O=C(NCC1(CC1)O)C(O)O 240690a_100011936951_100000233687 [0,1,0,1,0,0|2,0,0]=4 7783 B11R1.31 C#CC(C)C(=O)C1CCCC1 1458a_100000210718_200000035995 [0,1,0,1,0,0|2,0,0]=4 7784 B11R1.31 C=CC(C)C(=O)C1CCCC1 1458a_100011216780_100000179811 [0,1,0,1,0,0|2,0,0]=4 7785 B11R1.31 C=CC(C)C(=O)N1CCCC1 240690a_100000188435_100011216780 [0,1,0,1,0,0|2,0,0]=4 7786 B11R1.31 C=CC(C)C(=O)N1CCCC1 527a_100000188435_100011216780 [0,1,0,1,0,0|2,0,0]=4 7787 B11R1.31 CC(C#N)C(=O)C1CCCC1 1458a_100000210718_100000703298 [0,1,0,1,0,0|2,0,0]=4 7788 B11R1.31 CC(C#N)C(=O)C1CCCC1 1458a_100000753662_100000179811 [0,1,0,1,0,0|2,0,0]=4 7789 B11R1.31 CC(C#N)C(=O)N1CCCC1 240690a_100000188435_100000753662 [0,1,0,1,0,0|2,0,0]=4 7790 B11R1.31 CC(C#N)C(=O)N1CCCC1 527a_100000188435_100000753662 [0,1,0,1,0,0|2,0,0]=4 7791 B11R1.31 CC(N[13CH3])C(=O)N1CCCC1 2230a_100000747167_200025704644 [0,1,0,1,0,0|2,0,0]=4 7792 B11R1.31 CC(S[13CH3])C(=O)N1CCCC1 62a_100000183899_200025704644 [0,1,0,1,0,0|1,1,0]=4 7793 B11R1.31 CC(S[13CH3])C(=O)N1CCCC1 62a_200025704644_100000183899 [0,1,0,1,0,0|1,1,0]=4 7794 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100000210718_100000758301 [0,1,0,1,0,0|2,0,0]=4 7795 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100011192722_100000179811 [0,1,0,1,0,0|2,0,0]=4 7796 B11R1.31 CCC(C)C(=O)N1CCCC1 240690a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 7797 B11R1.31 CCC(C)C(=O)N1CCCC1 527a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 7798 B11R1.31 CCC(O)C(=O)C1CCCC1 1458a_100011196387_100000179811 [0,1,0,1,0,0|1,0,0]=3 7799 B11R1.31 CCC(O)C(=O)C1CCOC1 1458a_100011196387_100000690089 [0,1,0,1,0,0|2,0,0]=4 7800 B11R1.31 CCC(O)C(=O)N1CCCC1 240690a_100000188435_100011196387 [0,1,0,1,0,0|1,0,0]=3 7801 B11R1.31 CCC(O)C(=O)N1CCSC1 240690a_100011215254_100011196387 [0,1,0,1,0,0|2,0,0]=4 7802 B11R1.31 CNC(C)C(=O)N1CCCC1 2230a_100000747167_200000210301 [0,1,0,1,0,0|2,0,0]=4 7803 B11R1.31 CNC(C)C(=O)N1CCCC1 2230a_106832991635_100000183899 [0,1,0,1,0,0|2,0,0]=4 7804 B11R1.31 CNC(C)C(=O)N1CCCC1 7a_106832991635_100000183899 [0,1,0,1,0,0|2,0,0]=4 7805 B11R1.31 COC(C)C(=O)C1CCCC1 1458a_100000743197_100000179811 [0,1,0,1,0,0|1,0,0]=3 7806 B11R1.31 COC(C)C(=O)C1CCOC1 1458a_100000743197_100000690089 [0,1,0,1,0,0|2,0,0]=4 7807 B11R1.31 COC(C)C(=O)N1CCCC1 240690a_100000188435_100000743197 [0,1,0,1,0,0|1,0,0]=3 7808 B11R1.31 COC(C)C(=O)N1CCCC1 527a_100000188435_100000743197 [0,1,0,1,0,0|1,0,0]=3 7809 B11R1.31 COC(C)C(=O)N1CCSC1 11a_100011215254_100000743197 [0,1,0,1,0,0|2,0,0]=4 7810 B11R1.31 COC(C)C(=O)N1CCSC1 240690a_100011215254_100000743197 [0,1,0,1,0,0|2,0,0]=4 7811 B11R1.31 COC(C)C(=O)N1CCSC1 527a_100011215254_100000743197 [0,1,0,1,0,0|2,0,0]=4 7812 B11R1.31 CO[C@@H](C)C(=O)N1CCCC1 34a_100009854435_200000210301 [0,1,0,1,0,0|1,0,0]=3 7813 B11R1.31 CO[C@@H](C)C(=O)N1CCCC1 7a_100009854435_200000210301 [0,1,0,1,0,0|1,0,0]=3 7814 B11R1.31 CSC(C)C(=O)C1CCCC1 1458a_100000149566_100000179811 [0,1,0,1,0,0|1,1,0]=4 7815 B11R1.31 CSC(C)C(=O)N1CCCC1 240690a_100000188435_100000149566 [0,1,0,1,0,0|1,1,0]=4 7816 B11R1.31 CSC(C)C(=O)N1CCCC1 527a_100000188435_100000149566 [0,1,0,1,0,0|1,1,0]=4 7817 B11R1.31 CSC(C)C(=O)N1CCCC1 62a_100000183899_200000210301 [0,1,0,1,0,0|1,1,0]=4 7818 B11R1.31 CSC(C)C(=O)N1CCCC1 62a_200000210301_100000183899 [0,1,0,1,0,0|1,1,0]=4 7819 B11R1.31 C[C@H](O[13CH3])C(=O)N1CCCC1 34a_100009854435_200025704644 [0,1,0,1,0,0|1,0,0]=3 7820 B11R1.31 C[C@H](O[13CH3])C(=O)N1CCCC1 7a_100009854435_200025704644 [0,1,0,1,0,0|1,0,0]=3 7821 B11R1.31 O=C(C(O)CO)C1CCCC1 1458a_100011215603_100000179811 [0,1,0,1,0,0|1,0,0]=3 7822 B11R1.31 O=C(C(O)CO)C1CCOC1 1458a_100011215603_100000690089 [0,1,0,1,0,0|2,0,0]=4 7823 B11R1.31 O=C(C(O)CO)N1CCCC1 240690a_100000188435_100011215603 [0,1,0,1,0,0|1,0,0]=3 7824 B11R1.31 O=C(C(O)CO)N1CCSC1 240690a_100011215254_100011215603 [0,1,0,1,0,0|2,0,0]=4 7825 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [0,1,0,1,0,0|0,0,2]=4 7826 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [0,1,0,1,0,0|0,0,2]=4 7827 B11R1.240 C#CC(C)C(=O)C1CC1CC 1458a_200011661523_200000035995 [0,1,0,1,0,0|2,0,0]=4 7828 B11R1.240 CCC(C)C(=O)C1CC1CC 1458a_200011661523_100000758301 [0,1,0,1,0,0|2,0,0]=4 7829 B11R1.240 CCC1CC1C(=O)C(C)C#N 1458a_200011661523_100000703298 [0,1,0,1,0,0|2,0,0]=4 7830 B11R1.292 CCC(O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011196387 [0,1,0,1,0,0|2,0,0]=4 7831 B11R1.292 CCC(O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011196387 [0,1,0,1,0,0|2,0,0]=4 7832 B11R1.292 COC(C)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000743197 [0,1,0,1,0,0|2,0,0]=4 7833 B11R1.292 COC(C)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000743197 [0,1,0,1,0,0|2,0,0]=4 7834 B11R1.292 COC(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000743197 [0,1,0,1,0,0|2,0,0]=4 7835 B11R1.292 COC(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000743197 [0,1,0,1,0,0|2,0,0]=4 7836 B11R1.292 COC(C)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000743197 [0,1,0,1,0,0|2,0,0]=4 7837 B11R1.292 COC(C)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000743197 [0,1,0,1,0,0|2,0,0]=4 7838 B11R1.292 O=C(N[C@@H]1C[C@@H]1F)C(O)CO 240690a_100015190264_100011215603 [0,1,0,1,0,0|2,0,0]=4 7839 B11R1.292 O=C(N[C@@H]1C[C@H]1F)C(O)CO 240690a_100025746932_100011215603 [0,1,0,1,0,0|2,0,0]=4 7840 B11R1.293 C#CC(C)C(=O)CC1CCC1 1458a_100000763092_200000035995 [0,1,0,1,0,0|2,0,0]=4 7841 B11R1.293 C=CC(C)C(=O)CC1CCC1 1458a_100011216780_100000763275 [0,1,0,1,0,0|2,0,0]=4 7842 B11R1.293 C=CC(C)C(=O)NC1CCC1 11a_100000749019_100011216780 [0,1,0,1,0,0|2,0,0]=4 7843 B11R1.293 C=CC(C)C(=O)NC1CCC1 1626a_100000749019_100011216780 [0,1,0,1,0,0|2,0,0]=4 7844 B11R1.293 C=CC(C)C(=O)NC1CCC1 240690a_100000749019_100011216780 [0,1,0,1,0,0|2,0,0]=4 7845 B11R1.293 C=CC(C)C(=O)NC1CCC1 527a_100000749019_100011216780 [0,1,0,1,0,0|2,0,0]=4 7846 B11R1.293 CC(C#N)C(=O)CC1CCC1 1458a_100000753662_100000763275 [0,1,0,1,0,0|2,0,0]=4 7847 B11R1.293 CC(C#N)C(=O)CC1CCC1 1458a_100000763092_100000703298 [0,1,0,1,0,0|2,0,0]=4 7848 B11R1.293 CC(C#N)C(=O)NC1CCC1 11a_100000749019_100000753662 [0,1,0,1,0,0|2,0,0]=4 7849 B11R1.293 CC(C#N)C(=O)NC1CCC1 1626a_100000749019_100000753662 [0,1,0,1,0,0|2,0,0]=4 7850 B11R1.293 CC(C#N)C(=O)NC1CCC1 240690a_100000749019_100000753662 [0,1,0,1,0,0|2,0,0]=4 7851 B11R1.293 CC(C#N)C(=O)NC1CCC1 527a_100000749019_100000753662 [0,1,0,1,0,0|2,0,0]=4 7852 B11R1.293 CCC(C)C(=O)CC1CCC1 1458a_100000763092_100000758301 [0,1,0,1,0,0|2,0,0]=4 7853 B11R1.293 CCC(C)C(=O)CC1CCC1 1458a_100011192722_100000763275 [0,1,0,1,0,0|2,0,0]=4 7854 B11R1.293 CCC(C)C(=O)NC1CCC1 11a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 7855 B11R1.293 CCC(C)C(=O)NC1CCC1 1626a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 7856 B11R1.293 CCC(C)C(=O)NC1CCC1 240690a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 7857 B11R1.293 CCC(C)C(=O)NC1CCC1 527a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 7858 B11R1.293 CCC(O)C(=O)CC1CCC1 1458a_100011196387_100000763275 [0,1,0,1,0,0|1,0,0]=3 7859 B11R1.293 CCC(O)C(=O)CC1CCO1 1458a_100011196387_100000103362 [0,1,0,1,0,0|2,0,0]=4 7860 B11R1.293 CCC(O)C(=O)CC1COC1 1458a_100011196387_100010264016 [0,1,0,1,0,0|2,0,0]=4 7861 B11R1.293 CCC(O)C(=O)NC1CCC1 240690a_100000749019_100011196387 [0,1,0,1,0,0|1,0,0]=3 7862 B11R1.293 CCC(O)C(=O)NC1COC1 240690a_100016991112_100011196387 [0,1,0,1,0,0|2,0,0]=4 7863 B11R1.293 CCC(O)C(=O)NC1CSC1 240690a_100016994217_100011196387 [0,1,0,1,0,0|2,0,0]=4 7864 B11R1.293 COC(C)C(=O)CC1CCC1 1458a_100000743197_100000763275 [0,1,0,1,0,0|1,0,0]=3 7865 B11R1.293 COC(C)C(=O)CC1CCO1 1458a_100000743197_100000103362 [0,1,0,1,0,0|2,0,0]=4 7866 B11R1.293 COC(C)C(=O)CC1COC1 1458a_100000743197_100010264016 [0,1,0,1,0,0|2,0,0]=4 7867 B11R1.293 COC(C)C(=O)NC1CCC1 11a_100000749019_100000743197 [0,1,0,1,0,0|1,0,0]=3 7868 B11R1.293 COC(C)C(=O)NC1CCC1 1626a_100000749019_100000743197 [0,1,0,1,0,0|1,0,0]=3 7869 B11R1.293 COC(C)C(=O)NC1CCC1 240690a_100000749019_100000743197 [0,1,0,1,0,0|1,0,0]=3 7870 B11R1.293 COC(C)C(=O)NC1CCC1 527a_100000749019_100000743197 [0,1,0,1,0,0|1,0,0]=3 7871 B11R1.293 COC(C)C(=O)NC1COC1 11a_100016991112_100000743197 [0,1,0,1,0,0|2,0,0]=4 7872 B11R1.293 COC(C)C(=O)NC1COC1 1626a_100016991112_100000743197 [0,1,0,1,0,0|2,0,0]=4 7873 B11R1.293 COC(C)C(=O)NC1COC1 240690a_100016991112_100000743197 [0,1,0,1,0,0|2,0,0]=4 7874 B11R1.293 COC(C)C(=O)NC1COC1 527a_100016991112_100000743197 [0,1,0,1,0,0|2,0,0]=4 7875 B11R1.293 COC(C)C(=O)NC1CSC1 11a_100016994217_100000743197 [0,1,0,1,0,0|2,0,0]=4 7876 B11R1.293 COC(C)C(=O)NC1CSC1 1626a_100016994217_100000743197 [0,1,0,1,0,0|2,0,0]=4 7877 B11R1.293 COC(C)C(=O)NC1CSC1 240690a_100016994217_100000743197 [0,1,0,1,0,0|2,0,0]=4 7878 B11R1.293 COC(C)C(=O)NC1CSC1 527a_100016994217_100000743197 [0,1,0,1,0,0|2,0,0]=4 7879 B11R1.293 CSC(C)C(=O)CC1CCC1 1458a_100000149566_100000763275 [0,1,0,1,0,0|1,1,0]=4 7880 B11R1.293 CSC(C)C(=O)NC1CCC1 11a_100000749019_100000149566 [0,1,0,1,0,0|1,1,0]=4 7881 B11R1.293 CSC(C)C(=O)NC1CCC1 1626a_100000749019_100000149566 [0,1,0,1,0,0|1,1,0]=4 7882 B11R1.293 CSC(C)C(=O)NC1CCC1 240690a_100000749019_100000149566 [0,1,0,1,0,0|1,1,0]=4 7883 B11R1.293 CSC(C)C(=O)NC1CCC1 527a_100000749019_100000149566 [0,1,0,1,0,0|1,1,0]=4 7884 B11R1.293 O=C(CC1CCC1)C(O)CO 1458a_100011215603_100000763275 [0,1,0,1,0,0|1,0,0]=3 7885 B11R1.293 O=C(CC1CCO1)C(O)CO 1458a_100011215603_100000103362 [0,1,0,1,0,0|2,0,0]=4 7886 B11R1.293 O=C(CC1COC1)C(O)CO 1458a_100011215603_100010264016 [0,1,0,1,0,0|2,0,0]=4 7887 B11R1.293 O=C(NC1CCC1)C(O)CO 240690a_100000749019_100011215603 [0,1,0,1,0,0|1,0,0]=3 7888 B11R1.293 O=C(NC1COC1)C(O)CO 240690a_100016991112_100011215603 [0,1,0,1,0,0|2,0,0]=4 7889 B11R1.293 O=C(NC1CSC1)C(O)CO 240690a_100016994217_100011215603 [0,1,0,1,0,0|2,0,0]=4 7890 B11R1.294 C#CC(C)C(=O)CCC1CC1 1458a_100000756386_200000035995 [0,1,0,1,0,0|2,0,0]=4 7891 B11R1.294 C=CC(C)C(=O)CCC1CC1 1458a_100011216780_100000694398 [0,1,0,1,0,0|2,0,0]=4 7892 B11R1.294 C=CC(C)C(=O)NCC1CC1 11a_100000735609_100011216780 [0,1,0,1,0,0|2,0,0]=4 7893 B11R1.294 C=CC(C)C(=O)NCC1CC1 1626a_100000735609_100011216780 [0,1,0,1,0,0|2,0,0]=4 7894 B11R1.294 C=CC(C)C(=O)NCC1CC1 240690a_100000735609_100011216780 [0,1,0,1,0,0|2,0,0]=4 7895 B11R1.294 C=CC(C)C(=O)NCC1CC1 527a_100000735609_100011216780 [0,1,0,1,0,0|2,0,0]=4 7896 B11R1.294 CC(C#N)C(=O)CCC1CC1 1458a_100000753662_100000694398 [0,1,0,1,0,0|2,0,0]=4 7897 B11R1.294 CC(C#N)C(=O)CCC1CC1 1458a_100000756386_100000703298 [0,1,0,1,0,0|2,0,0]=4 7898 B11R1.294 CC(C#N)C(=O)NCC1CC1 11a_100000735609_100000753662 [0,1,0,1,0,0|2,0,0]=4 7899 B11R1.294 CC(C#N)C(=O)NCC1CC1 1626a_100000735609_100000753662 [0,1,0,1,0,0|2,0,0]=4 7900 B11R1.294 CC(C#N)C(=O)NCC1CC1 240690a_100000735609_100000753662 [0,1,0,1,0,0|2,0,0]=4 7901 B11R1.294 CC(C#N)C(=O)NCC1CC1 527a_100000735609_100000753662 [0,1,0,1,0,0|2,0,0]=4 7902 B11R1.294 CCC(C)C(=O)CCC1CC1 1458a_100000756386_100000758301 [0,1,0,1,0,0|2,0,0]=4 7903 B11R1.294 CCC(C)C(=O)CCC1CC1 1458a_100011192722_100000694398 [0,1,0,1,0,0|2,0,0]=4 7904 B11R1.294 CCC(C)C(=O)NCC1CC1 11a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 7905 B11R1.294 CCC(C)C(=O)NCC1CC1 1626a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 7906 B11R1.294 CCC(C)C(=O)NCC1CC1 240690a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 7907 B11R1.294 CCC(C)C(=O)NCC1CC1 527a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 7908 B11R1.294 CCC(O)C(=O)CCC1CC1 1458a_100011196387_100000694398 [0,1,0,1,0,0|1,0,0]=3 7909 B11R1.294 CCC(O)C(=O)CCC1CO1 1458a_100011196387_100000732470 [0,1,0,1,0,0|2,0,0]=4 7910 B11R1.294 CCC(O)C(=O)NCC1CC1 240690a_100000735609_100011196387 [0,1,0,1,0,0|1,0,0]=3 7911 B11R1.294 CCC(O)C(=O)NNC1CC1 22a_100000701032_100011196387 [0,1,0,1,0,0|2,0,0]=4 7912 B11R1.294 COC(C)C(=O)CCC1CC1 1458a_100000743197_100000694398 [0,1,0,1,0,0|1,0,0]=3 7913 B11R1.294 COC(C)C(=O)CCC1CO1 1458a_100000743197_100000732470 [0,1,0,1,0,0|2,0,0]=4 7914 B11R1.294 COC(C)C(=O)NCC1CC1 11a_100000735609_100000743197 [0,1,0,1,0,0|1,0,0]=3 7915 B11R1.294 COC(C)C(=O)NCC1CC1 1626a_100000735609_100000743197 [0,1,0,1,0,0|1,0,0]=3 7916 B11R1.294 COC(C)C(=O)NCC1CC1 240690a_100000735609_100000743197 [0,1,0,1,0,0|1,0,0]=3 7917 B11R1.294 COC(C)C(=O)NCC1CC1 527a_100000735609_100000743197 [0,1,0,1,0,0|1,0,0]=3 7918 B11R1.294 COC(C)C(=O)NNC1CC1 22a_100000701032_100000743197 [0,1,0,1,0,0|2,0,0]=4 7919 B11R1.294 CSC(C)C(=O)CCC1CC1 1458a_100000149566_100000694398 [0,1,0,1,0,0|1,1,0]=4 7920 B11R1.294 CSC(C)C(=O)NCC1CC1 11a_100000735609_100000149566 [0,1,0,1,0,0|1,1,0]=4 7921 B11R1.294 CSC(C)C(=O)NCC1CC1 1626a_100000735609_100000149566 [0,1,0,1,0,0|1,1,0]=4 7922 B11R1.294 CSC(C)C(=O)NCC1CC1 240690a_100000735609_100000149566 [0,1,0,1,0,0|1,1,0]=4 7923 B11R1.294 CSC(C)C(=O)NCC1CC1 527a_100000735609_100000149566 [0,1,0,1,0,0|1,1,0]=4 7924 B11R1.294 O=C(CCC1CC1)C(O)CO 1458a_100011215603_100000694398 [0,1,0,1,0,0|1,0,0]=3 7925 B11R1.294 O=C(CCC1CO1)C(O)CO 1458a_100011215603_100000732470 [0,1,0,1,0,0|2,0,0]=4 7926 B11R1.294 O=C(NCC1CC1)C(O)CO 240690a_100000735609_100011215603 [0,1,0,1,0,0|1,0,0]=3 7927 B11R1.294 O=C(NNC1CC1)C(O)CO 22a_100000701032_100011215603 [0,1,0,1,0,0|2,0,0]=4 7928 B11R1.295 C=CC(C)C(=O)N1CCC1C 11a_100000755817_100011216780 [0,1,0,1,0,0|2,0,0]=4 7929 B11R1.295 C=CC(C)C(=O)N1CCC1C 240690a_100000755817_100011216780 [0,1,0,1,0,0|2,0,0]=4 7930 B11R1.295 C=CC(C)C(=O)N1CCC1C 527a_100000755817_100011216780 [0,1,0,1,0,0|2,0,0]=4 7931 B11R1.295 CC(C#N)C(=O)N1CCC1C 11a_100000755817_100000753662 [0,1,0,1,0,0|2,0,0]=4 7932 B11R1.295 CC(C#N)C(=O)N1CCC1C 240690a_100000755817_100000753662 [0,1,0,1,0,0|2,0,0]=4 7933 B11R1.295 CC(C#N)C(=O)N1CCC1C 527a_100000755817_100000753662 [0,1,0,1,0,0|2,0,0]=4 7934 B11R1.295 CC1CCN1C(=O)C(O)CO 240690a_100000755817_100011215603 [0,1,0,1,0,0|1,0,0]=3 7935 B11R1.295 CCC(C)C(=O)N1CCC1C 11a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 7936 B11R1.295 CCC(C)C(=O)N1CCC1C 240690a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 7937 B11R1.295 CCC(C)C(=O)N1CCC1C 527a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 7938 B11R1.295 CCC(O)C(=O)N1CCC1C 240690a_100000755817_100011196387 [0,1,0,1,0,0|1,0,0]=3 7939 B11R1.295 COC(C)C(=O)N1CCC1C 11a_100000755817_100000743197 [0,1,0,1,0,0|1,0,0]=3 7940 B11R1.295 COC(C)C(=O)N1CCC1C 240690a_100000755817_100000743197 [0,1,0,1,0,0|1,0,0]=3 7941 B11R1.295 COC(C)C(=O)N1CCC1C 527a_100000755817_100000743197 [0,1,0,1,0,0|1,0,0]=3 7942 B11R1.295 CSC(C)C(=O)N1CCC1C 11a_100000755817_100000149566 [0,1,0,1,0,0|1,1,0]=4 7943 B11R1.295 CSC(C)C(=O)N1CCC1C 240690a_100000755817_100000149566 [0,1,0,1,0,0|1,1,0]=4 7944 B11R1.295 CSC(C)C(=O)N1CCC1C 527a_100000755817_100000149566 [0,1,0,1,0,0|1,1,0]=4 7945 B11R1.299 CCCC#CC(=O)C1COC1 1458a_200011218047_100000687716 [0,1,0,1,0,0|1,0,1]=4 7946 B11R1.299 CCCC=CC(=O)C1COC1 1458a_100000212230_100000687716 [0,1,0,1,0,0|1,0,1]=4 7947 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000209988_100000210326 [0,1,0,1,0,0|2,0,0]=4 7948 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000212188_100000749161 [0,1,0,1,0,0|2,0,0]=4 7949 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,1,0,1,0,0|1,0,0]=3 7950 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000212188_100000687716 [0,1,0,1,0,0|1,0,0]=3 7951 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000758290_100000210326 [0,1,0,1,0,0|1,0,0]=3 7952 B11R1.299 CCCCNC(=O)C1CCC1 11a_100000102301_100000209988 [0,1,0,1,0,0|2,0,0]=4 7953 B11R1.299 CCCCNC(=O)C1CCC1 1626a_100000102301_100000209988 [0,1,0,1,0,0|2,0,0]=4 7954 B11R1.299 CCCCNC(=O)C1CCC1 240690a_100000102301_100000209988 [0,1,0,1,0,0|2,0,0]=4 7955 B11R1.299 CCCCNC(=O)C1CCC1 527a_100000102301_100000209988 [0,1,0,1,0,0|2,0,0]=4 7956 B11R1.299 CCCCNC(=O)C1CCO1 11a_100000102301_100000089072 [0,1,0,1,0,0|1,0,0]=3 7957 B11R1.299 CCCCNC(=O)C1CCO1 1626a_100000102301_100000089072 [0,1,0,1,0,0|1,0,0]=3 7958 B11R1.299 CCCCNC(=O)C1CCO1 240690a_100000102301_100000089072 [0,1,0,1,0,0|1,0,0]=3 7959 B11R1.299 CCCCNC(=O)C1CCO1 527a_100000102301_100000089072 [0,1,0,1,0,0|1,0,0]=3 7960 B11R1.299 CCCCNC(=O)C1COC1 11a_100000102301_100000758290 [0,1,0,1,0,0|1,0,0]=3 7961 B11R1.299 CCCCNC(=O)C1COC1 1626a_100000102301_100000758290 [0,1,0,1,0,0|1,0,0]=3 7962 B11R1.299 CCCCNC(=O)C1COC1 240690a_100000102301_100000758290 [0,1,0,1,0,0|1,0,0]=3 7963 B11R1.299 CCCCNC(=O)C1COC1 527a_100000102301_100000758290 [0,1,0,1,0,0|1,0,0]=3 7964 B11R1.299 CCCNNC(=O)C1CCO1 22a_100000740057_100000089072 [0,1,0,1,0,0|2,0,0]=4 7965 B11R1.299 CCCNNC(=O)C1COC1 22a_100000740057_100000758290 [0,1,0,1,0,0|2,0,0]=4 7966 B11R1.299 CCCOCC(=O)C1COC1 1458a_100000745993_100000687716 [0,1,0,1,0,0|2,0,0]=4 7967 B11R1.299 CCCSCC(=O)C1COC1 1458a_100000217233_100000687716 [0,1,0,1,0,0|2,0,0]=4 7968 B11R1.299 CCOCCC(=O)C1CCO1 1458a_100000089072_100011215890 [0,1,0,1,0,0|2,0,0]=4 7969 B11R1.299 CCOCCC(=O)C1COC1 1458a_100000749530_100000687716 [0,1,0,1,0,0|2,0,0]=4 7970 B11R1.299 CCOCCC(=O)C1COC1 1458a_100000758290_100011215890 [0,1,0,1,0,0|2,0,0]=4 7971 B11R1.299 CCSCCC(=O)C1CCO1 1458a_100000089072_100000757381 [0,1,0,1,0,0|2,0,0]=4 7972 B11R1.299 CCSCCC(=O)C1COC1 1458a_100000230768_100000687716 [0,1,0,1,0,0|2,0,0]=4 7973 B11R1.299 CCSCCC(=O)C1COC1 1458a_100000758290_100000757381 [0,1,0,1,0,0|2,0,0]=4 7974 B11R1.299 COCCCC(=O)C1CCO1 1458a_100000089072_100000740836 [0,1,0,1,0,0|2,0,0]=4 7975 B11R1.299 COCCCC(=O)C1COC1 1458a_100000741012_100000687716 [0,1,0,1,0,0|2,0,0]=4 7976 B11R1.299 COCCCC(=O)C1COC1 1458a_100000758290_100000740836 [0,1,0,1,0,0|2,0,0]=4 7977 B11R1.299 COCCNC(=O)C1CCO1 1626a_100000209980_100000089072 [0,1,0,1,0,0|2,0,0]=4 7978 B11R1.299 COCCNC(=O)C1CCO1 240690a_100000209980_100000089072 [0,1,0,1,0,0|2,0,0]=4 7979 B11R1.299 COCCNC(=O)C1CCO1 527a_100000209980_100000089072 [0,1,0,1,0,0|2,0,0]=4 7980 B11R1.299 COCCNC(=O)C1COC1 1626a_100000209980_100000758290 [0,1,0,1,0,0|2,0,0]=4 7981 B11R1.299 COCCNC(=O)C1COC1 240690a_100000209980_100000758290 [0,1,0,1,0,0|2,0,0]=4 7982 B11R1.299 COCCNC(=O)C1COC1 527a_100000209980_100000758290 [0,1,0,1,0,0|2,0,0]=4 7983 B11R1.299 CSCCCC(=O)C1COC1 1458a_100000173376_100000687716 [0,1,0,1,0,0|2,0,0]=4 7984 B11R1.299 CSCCNC(=O)C1CCO1 11a_100020590264_100000089072 [0,1,0,1,0,0|2,0,0]=4 7985 B11R1.299 CSCCNC(=O)C1CCO1 1626a_100020590264_100000089072 [0,1,0,1,0,0|2,0,0]=4 7986 B11R1.299 CSCCNC(=O)C1CCO1 240690a_100020590264_100000089072 [0,1,0,1,0,0|2,0,0]=4 7987 B11R1.299 CSCCNC(=O)C1CCO1 527a_100020590264_100000089072 [0,1,0,1,0,0|2,0,0]=4 7988 B11R1.299 CSCCNC(=O)C1COC1 11a_100020590264_100000758290 [0,1,0,1,0,0|2,0,0]=4 7989 B11R1.299 CSCCNC(=O)C1COC1 1626a_100020590264_100000758290 [0,1,0,1,0,0|2,0,0]=4 7990 B11R1.299 CSCCNC(=O)C1COC1 240690a_100020590264_100000758290 [0,1,0,1,0,0|2,0,0]=4 7991 B11R1.299 CSCCNC(=O)C1COC1 527a_100020590264_100000758290 [0,1,0,1,0,0|2,0,0]=4 7992 B11R1.299 O=C(CCCCF)C1CCO1 1458a_100000089072_100000729493 [0,1,0,1,0,0|2,0,0]=4 7993 B11R1.299 O=C(CCCCF)C1COC1 1458a_100000758290_100000729493 [0,1,0,1,0,0|2,0,0]=4 7994 B11R1.299 O=C(CCCCO)C1CCO1 1458a_100000089072_100000210776 [0,1,0,1,0,0|2,0,0]=4 7995 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000695505_100000687716 [0,1,0,1,0,0|2,0,0]=4 7996 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000758290_100000210776 [0,1,0,1,0,0|2,0,0]=4 7997 B11R1.299 O=C(NCCCF)C1CCO1 11a_100015189416_100000089072 [0,1,0,1,0,0|2,0,0]=4 7998 B11R1.299 O=C(NCCCF)C1CCO1 1626a_100015189416_100000089072 [0,1,0,1,0,0|2,0,0]=4 7999 B11R1.299 O=C(NCCCF)C1CCO1 240690a_100015189416_100000089072 [0,1,0,1,0,0|2,0,0]=4 8000 B11R1.299 O=C(NCCCF)C1CCO1 527a_100015189416_100000089072 [0,1,0,1,0,0|2,0,0]=4 8001 B11R1.299 O=C(NCCCF)C1COC1 11a_100015189416_100000758290 [0,1,0,1,0,0|2,0,0]=4 8002 B11R1.299 O=C(NCCCF)C1COC1 1626a_100015189416_100000758290 [0,1,0,1,0,0|2,0,0]=4 8003 B11R1.299 O=C(NCCCF)C1COC1 240690a_100015189416_100000758290 [0,1,0,1,0,0|2,0,0]=4 8004 B11R1.299 O=C(NCCCF)C1COC1 527a_100015189416_100000758290 [0,1,0,1,0,0|2,0,0]=4 8005 B11R1.299 O=C(NCCCO)C1CCO1 240690a_100000182051_100000089072 [0,1,0,1,0,0|2,0,0]=4 8006 B11R1.299 O=C(NCCCO)C1CCO1 527a_100000182051_100000089072 [0,1,0,1,0,0|2,0,0]=4 8007 B11R1.299 O=C(NCCCO)C1COC1 240690a_100000182051_100000758290 [0,1,0,1,0,0|2,0,0]=4 8008 B11R1.299 O=C(NCCCO)C1COC1 527a_100000182051_100000758290 [0,1,0,1,0,0|2,0,0]=4 8009 B11R1.720 CC(=O)CCCC(=O)C1CO1 1458a_100000701028_100011215641 [0,1,0,1,0,0|1,0,1]=4 8010 B11R1.720 CC(C)CCCC(=O)C1CC1 1458a_100000210395_100011214892 [0,1,0,1,0,0|2,0,0]=4 8011 B11R1.720 CC(C)CCCC(=O)C1CO1 1458a_100000701028_100011214892 [0,1,0,1,0,0|1,0,0]=3 8012 B11R1.720 CC(C)CCNC(=O)C1CC1 11a_100000210545_100000210395 [0,1,0,1,0,0|2,0,0]=4 8013 B11R1.720 CC(C)CCNC(=O)C1CC1 1626a_100000210545_100000210395 [0,1,0,1,0,0|2,0,0]=4 8014 B11R1.720 CC(C)CCNC(=O)C1CC1 240690a_100000210545_100000210395 [0,1,0,1,0,0|2,0,0]=4 8015 B11R1.720 CC(C)CCNC(=O)C1CC1 527a_100000210545_100000210395 [0,1,0,1,0,0|2,0,0]=4 8016 B11R1.720 CC(C)CCNC(=O)C1CO1 11a_100000210545_100000701028 [0,1,0,1,0,0|1,0,0]=3 8017 B11R1.720 CC(C)CCNC(=O)C1CO1 1626a_100000210545_100000701028 [0,1,0,1,0,0|1,0,0]=3 8018 B11R1.720 CC(C)CCNC(=O)C1CO1 240690a_100000210545_100000701028 [0,1,0,1,0,0|1,0,0]=3 8019 B11R1.720 CC(C)CCNC(=O)C1CO1 527a_100000210545_100000701028 [0,1,0,1,0,0|1,0,0]=3 8020 B11R1.720 CC(C)CNNC(=O)C1CO1 22a_100000696102_100000701028 [0,1,0,1,0,0|2,0,0]=4 8021 B11R1.720 CC(C)NCOC(=O)C1CC1 2230a_100138425928_100000140896 [0,1,0,1,0,0|2,0,0]=4 8022 B11R1.720 CC(C)NCOC(=O)C1CC1 34a_100138425928_100000140896 [0,1,0,1,0,0|2,0,0]=4 8023 B11R1.720 CC(C)OCCC(=O)C1CO1 1458a_100000701028_100000211751 [0,1,0,1,0,0|2,0,0]=4 8024 B11R1.720 CC(C)OCOC(=O)C1CC1 34a_100000212225_100000140896 [0,1,0,1,0,0|2,0,0]=4 8025 B11R1.720 CC(C)SCCC(=O)C1CO1 1458a_100000701028_100000730970 [0,1,0,1,0,0|2,0,0]=4 8026 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000140896_100000210206 [0,1,0,1,0,0|2,0,0]=4 8027 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000210206_100000140896 [0,1,0,1,0,0|2,0,0]=4 8028 B11R1.720 CC(O)CCCC(=O)C1CC1 1458a_100000210395_200000718107 [0,1,0,1,0,0|2,0,0]=4 8029 B11R1.720 CC(O)CCCC(=O)C1CO1 1458a_100000701028_200000718107 [0,1,0,1,0,0|1,0,0]=3 8030 B11R1.720 CC(O)CCNC(=O)C1CC1 240690a_200000755665_100000210395 [0,1,0,1,0,0|2,0,0]=4 8031 B11R1.720 CC(O)CCNC(=O)C1CC1 527a_200000755665_100000210395 [0,1,0,1,0,0|2,0,0]=4 8032 B11R1.720 CC(O)CCNC(=O)C1CO1 240690a_200000755665_100000701028 [0,1,0,1,0,0|1,0,0]=3 8033 B11R1.720 CC(O)CCNC(=O)C1CO1 527a_200000755665_100000701028 [0,1,0,1,0,0|1,0,0]=3 8034 B11R1.720 CC(O)CNNC(=O)C1CO1 22a_200000730056_100000701028 [0,1,0,1,0,0|2,0,0]=4 8035 B11R1.720 CN(C)CCCC(=O)C1CO1 1458a_100000701028_100000695564 [0,1,0,1,0,0|2,0,0]=4 8036 B11R1.720 CN(C)CCNC(=O)C1CO1 240690a_100000210585_100000701028 [0,1,0,1,0,0|2,0,0]=4 8037 B11R1.720 CN(C)CCNC(=O)C1CO1 527a_100000210585_100000701028 [0,1,0,1,0,0|2,0,0]=4 8038 B11R1.1111 C[C@@H](O)C(=O)CC1CC1(F)F 1458a_100000717761_100009817841 [0,1,0,1,0,0|2,0,0]=4 8039 B11R1.1111 C[C@@H](O)C(=O)NC1CC1(F)F 240690a_100020610826_100000717761 [0,1,0,1,0,0|2,0,0]=4 8040 B11R1.1111 C[C@H](O)C(=O)CC1CC1(F)F 1458a_217856618621_100009817841 [0,1,0,1,0,0|2,0,0]=4 8041 B11R1.1111 C[C@H](O)C(=O)NC1CC1(F)F 1626a_100020610826_217856618621 [0,1,0,1,0,0|2,0,0]=4 8042 B11R1.1111 C[C@H](O)C(=O)NC1CC1(F)F 240690a_100020610826_217856618621 [0,1,0,1,0,0|2,0,0]=4 8043 B11R2.1031 O=C(C1CC1)N2CCCC2 240690a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 8044 B11R2.1031 O=C(C1CC1)N2CCCC2 527a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 8045 B11R2.1031 O=C(C1CCCC1)C2CC2 1458a_100000210395_100000179811 [0,0,0,2,0,0|2,0,0]=4 8046 B11R2.1031 O=C(C1CCCC1)C2CO2 1458a_100000701028_100000179811 [0,0,0,2,0,0|1,0,0]=3 8047 B11R2.1031 O=C(C1CCOC1)C2CO2 1458a_100000701028_100000690089 [0,0,0,2,0,0|2,0,0]=4 8048 B11R2.1031 O=C(C1CO1)N2CCCC2 240690a_100000188435_100000701028 [0,0,0,2,0,0|1,0,0]=3 8049 B11R2.1031 O=C(C1CO1)N2CCCC2 527a_100000188435_100000701028 [0,0,0,2,0,0|1,0,0]=3 8050 B11R2.1031 O=C(C1CO1)N2CCSC2 11a_100011215254_100000701028 [0,0,0,2,0,0|2,0,0]=4 8051 B11R2.1031 O=C(C1CO1)N2CCSC2 240690a_100011215254_100000701028 [0,0,0,2,0,0|2,0,0]=4 8052 B11R2.1031 O=C(C1CO1)N2CCSC2 527a_100011215254_100000701028 [0,0,0,2,0,0|2,0,0]=4 8053 B11R2.792 CC1CCN1C(=O)C2CC2 11a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 8054 B11R2.792 CC1CCN1C(=O)C2CC2 240690a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 8055 B11R2.792 CC1CCN1C(=O)C2CC2 527a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 8056 B11R2.792 CC1CCN1C(=O)C2CO2 11a_100000755817_100000701028 [0,0,0,2,0,0|1,0,0]=3 8057 B11R2.792 CC1CCN1C(=O)C2CO2 240690a_100000755817_100000701028 [0,0,0,2,0,0|1,0,0]=3 8058 B11R2.792 CC1CCN1C(=O)C2CO2 527a_100000755817_100000701028 [0,0,0,2,0,0|1,0,0]=3 8059 B11R2.443 O=C(N[C@@H]1C[C@@H]1F)C2CO2 240690a_100015190264_100000701028 [0,0,0,2,0,0|2,0,0]=4 8060 B11R2.443 O=C(N[C@@H]1C[C@@H]1F)C2CO2 527a_100015190264_100000701028 [0,0,0,2,0,0|2,0,0]=4 8061 B11R2.443 O=C(N[C@@H]1C[C@H]1F)C2CO2 11a_100025746932_100000701028 [0,0,0,2,0,0|2,0,0]=4 8062 B11R2.443 O=C(N[C@@H]1C[C@H]1F)C2CO2 1626a_100025746932_100000701028 [0,0,0,2,0,0|2,0,0]=4 8063 B11R2.443 O=C(N[C@@H]1C[C@H]1F)C2CO2 240690a_100025746932_100000701028 [0,0,0,2,0,0|2,0,0]=4 8064 B11R2.443 O=C(N[C@@H]1C[C@H]1F)C2CO2 527a_100025746932_100000701028 [0,0,0,2,0,0|2,0,0]=4 8065 B11R2.862 O=C(CCC1CC1)C2CC2 1458a_100000210395_100000694398 [0,0,0,2,0,0|2,0,0]=4 8066 B11R2.862 O=C(CCC1CC1)C2CO2 1458a_100000701028_100000694398 [0,0,0,2,0,0|1,0,0]=3 8067 B11R2.862 O=C(CCC1CO1)C2CO2 1458a_100000701028_100000732470 [0,0,0,2,0,0|2,0,0]=4 8068 B11R2.862 O=C(NCC1CC1)C2CC2 11a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 8069 B11R2.862 O=C(NCC1CC1)C2CC2 1626a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 8070 B11R2.862 O=C(NCC1CC1)C2CC2 240690a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 8071 B11R2.862 O=C(NCC1CC1)C2CC2 527a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 8072 B11R2.862 O=C(NCC1CC1)C2CO2 11a_100000735609_100000701028 [0,0,0,2,0,0|1,0,0]=3 8073 B11R2.862 O=C(NCC1CC1)C2CO2 1626a_100000735609_100000701028 [0,0,0,2,0,0|1,0,0]=3 8074 B11R2.862 O=C(NCC1CC1)C2CO2 240690a_100000735609_100000701028 [0,0,0,2,0,0|1,0,0]=3 8075 B11R2.862 O=C(NCC1CC1)C2CO2 527a_100000735609_100000701028 [0,0,0,2,0,0|1,0,0]=3 8076 B11R2.862 O=C(NNC1CC1)C2CO2 22a_100000701032_100000701028 [0,0,0,2,0,0|2,0,0]=4 8077 B11R2.863 O=C(CC1CCC1)C2CC2 1458a_100000210395_100000763275 [0,0,0,2,0,0|2,0,0]=4 8078 B11R2.863 O=C(CC1CCC1)C2CO2 1458a_100000701028_100000763275 [0,0,0,2,0,0|1,0,0]=3 8079 B11R2.863 O=C(CC1CCO1)C2CO2 1458a_100000701028_100000103362 [0,0,0,2,0,0|2,0,0]=4 8080 B11R2.863 O=C(CC1COC1)C2CO2 1458a_100000701028_100010264016 [0,0,0,2,0,0|2,0,0]=4 8081 B11R2.863 O=C(NC1CCC1)C2CC2 11a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 8082 B11R2.863 O=C(NC1CCC1)C2CC2 1626a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 8083 B11R2.863 O=C(NC1CCC1)C2CC2 240690a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 8084 B11R2.863 O=C(NC1CCC1)C2CC2 527a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 8085 B11R2.863 O=C(NC1CCC1)C2CO2 11a_100000749019_100000701028 [0,0,0,2,0,0|1,0,0]=3 8086 B11R2.863 O=C(NC1CCC1)C2CO2 1626a_100000749019_100000701028 [0,0,0,2,0,0|1,0,0]=3 8087 B11R2.863 O=C(NC1CCC1)C2CO2 240690a_100000749019_100000701028 [0,0,0,2,0,0|1,0,0]=3 8088 B11R2.863 O=C(NC1CCC1)C2CO2 527a_100000749019_100000701028 [0,0,0,2,0,0|1,0,0]=3 8089 B11R2.863 O=C(NC1COC1)C2CO2 11a_100016991112_100000701028 [0,0,0,2,0,0|2,0,0]=4 8090 B11R2.863 O=C(NC1COC1)C2CO2 1626a_100016991112_100000701028 [0,0,0,2,0,0|2,0,0]=4 8091 B11R2.863 O=C(NC1COC1)C2CO2 240690a_100016991112_100000701028 [0,0,0,2,0,0|2,0,0]=4 8092 B11R2.863 O=C(NC1COC1)C2CO2 527a_100016991112_100000701028 [0,0,0,2,0,0|2,0,0]=4 8093 B11R2.863 O=C(NC1CSC1)C2CO2 11a_100016994217_100000701028 [0,0,0,2,0,0|2,0,0]=4 8094 B11R2.863 O=C(NC1CSC1)C2CO2 1626a_100016994217_100000701028 [0,0,0,2,0,0|2,0,0]=4 8095 B11R2.863 O=C(NC1CSC1)C2CO2 240690a_100016994217_100000701028 [0,0,0,2,0,0|2,0,0]=4 8096 B11R2.863 O=C(NC1CSC1)C2CO2 527a_100016994217_100000701028 [0,0,0,2,0,0|2,0,0]=4 8097 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,0,0,0,0,2|2,0,0]=4 8098 B11R0.46 CC(O)CCC(=O)NCCCF 1626a_100015189416_100000718519 [0,0,0,0,0,2|2,0,0]=4 8099 B11R0.46 CC(O)CNC(=O)NCCCF 2708a_100015189416_100000210904 [0,0,0,0,0,2|2,0,0]=4 8100 B11R0.46 CC(O)CNC(=O)NCCCF 273464a_100000210904_100015189416 [0,0,0,0,0,2|2,0,0]=4 8101 B11R0.46 CC(O)CNC(=O)NCCCF 273464a_100015189416_100000210904 [0,0,0,0,0,2|2,0,0]=4 8102 B11R0.46 CC(O)CNC(=O)NCCCF 512a_100000210904_100015189416 [0,0,0,0,0,2|2,0,0]=4 8103 B11R0.46 CC(O)CNC(=O)NCCCF 512a_100015189416_100000210904 [0,0,0,0,0,2|2,0,0]=4 8104 B11R0.46 CC(O)CNC(=O)NCCCO 273464a_100000182051_100000210904 [0,0,0,0,0,2|2,0,0]=4 8105 B11R0.46 CC(O)CNC(=O)NCCCO 273464a_100000210904_100000182051 [0,0,0,0,0,2|2,0,0]=4 8106 B11R0.46 CC(O)CNC(=O)NCCCO 512a_100000210904_100000182051 [0,0,0,0,0,2|2,0,0]=4 8107 B11R0.46 CCCC#CC(=O)CCC(C)O 1458a_200011218047_100012276601 [0,0,0,0,0,2|1,0,1]=4 8108 B11R0.46 CCCC#CC(=O)NCC(C)O 240690a_100000210904_200011218047 [0,0,0,0,0,2|1,0,1]=4 8109 B11R0.46 CCCC=CC(=O)CCC(C)O 1458a_100000212230_100012276601 [0,0,0,0,0,2|1,0,1]=4 8110 B11R0.46 CCCC=CC(=O)NCC(C)O 11a_100000210904_100000212230 [0,0,0,0,0,2|1,0,1]=4 8111 B11R0.46 CCCC=CC(=O)NCC(C)O 240690a_100000210904_100000212230 [0,0,0,0,0,2|1,0,1]=4 8112 B11R0.46 CCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210326 [0,0,0,0,0,2|2,0,0]=4 8113 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,0,0,0,0,2|2,0,0]=4 8114 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,0,0,0,0,2|2,0,0]=4 8115 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,0,0,0,0,2|1,0,0]=3 8116 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [0,0,0,0,0,2|2,0,0]=4 8117 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [0,0,0,0,0,2|2,0,0]=4 8118 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,0,0,0,0,2|2,0,0]=4 8119 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,0,0,0,0,2|2,0,0]=4 8120 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [0,0,0,0,0,2|2,0,0]=4 8121 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [0,0,0,0,0,2|2,0,0]=4 8122 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [0,0,0,0,0,2|2,0,0]=4 8123 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,0,0,0,0,2|2,0,0]=4 8124 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,0,0,0,0,2|2,0,0]=4 8125 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,0,0,0,0,2|2,0,0]=4 8126 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,0,0,0,0,2|2,0,0]=4 8127 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,0,0,0,0,2|1,0,0]=3 8128 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,0,0,0,0,2|1,0,0]=3 8129 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,0,0,0,0,2|1,0,0]=3 8130 B11R0.46 CCCCCC(=O)NNC(C)C 22a_100000741168_100000212188 [0,0,0,0,0,2|2,0,0]=4 8131 B11R0.46 CCCCNC(=O)C=CC(C)C 11a_100000102301_100016268746 [0,0,0,0,0,2|2,0,0]=4 8132 B11R0.46 CCCCNC(=O)C=CC(C)C 1626a_100000102301_100016268746 [0,0,0,0,0,2|2,0,0]=4 8133 B11R0.46 CCCCNC(=O)C=CC(C)C 240690a_100000102301_100016268746 [0,0,0,0,0,2|2,0,0]=4 8134 B11R0.46 CCCCNC(=O)CCC(C)C 11a_100000102301_100000181311 [0,0,0,0,0,2|2,0,0]=4 8135 B11R0.46 CCCCNC(=O)CCC(C)C 1626a_100000102301_100000181311 [0,0,0,0,0,2|2,0,0]=4 8136 B11R0.46 CCCCNC(=O)CCC(C)C 240690a_100000102301_100000181311 [0,0,0,0,0,2|2,0,0]=4 8137 B11R0.46 CCCCNC(=O)CCC(C)C 527a_100000102301_100000181311 [0,0,0,0,0,2|2,0,0]=4 8138 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,0,0,0,0,2|1,0,0]=3 8139 B11R0.46 CCCCNC(=O)CNC(C)C 2230a_100138425928_100000182744 [0,0,0,0,0,2|2,0,0]=4 8140 B11R0.46 CCCCNC(=O)CNC(C)C 34a_100138425928_100000182744 [0,0,0,0,0,2|2,0,0]=4 8141 B11R0.46 CCCCNC(=O)COC(C)C 11a_100000102301_100000745533 [0,0,0,0,0,2|2,0,0]=4 8142 B11R0.46 CCCCNC(=O)COC(C)C 1626a_100000102301_100000745533 [0,0,0,0,0,2|2,0,0]=4 8143 B11R0.46 CCCCNC(=O)COC(C)C 240690a_100000102301_100000745533 [0,0,0,0,0,2|2,0,0]=4 8144 B11R0.46 CCCCNC(=O)COC(C)C 34a_100000212225_100000182744 [0,0,0,0,0,2|2,0,0]=4 8145 B11R0.46 CCCCNC(=O)COC(C)C 527a_100000102301_100000745533 [0,0,0,0,0,2|2,0,0]=4 8146 B11R0.46 CCCCNC(=O)CSC(C)C 11a_100000102301_100000241585 [0,0,0,0,0,2|2,0,0]=4 8147 B11R0.46 CCCCNC(=O)CSC(C)C 1626a_100000102301_100000241585 [0,0,0,0,0,2|2,0,0]=4 8148 B11R0.46 CCCCNC(=O)CSC(C)C 240690a_100000102301_100000241585 [0,0,0,0,0,2|2,0,0]=4 8149 B11R0.46 CCCCNC(=O)CSC(C)C 527a_100000102301_100000241585 [0,0,0,0,0,2|2,0,0]=4 8150 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000182744_100000210206 [0,0,0,0,0,2|2,0,0]=4 8151 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000210206_100000182744 [0,0,0,0,0,2|2,0,0]=4 8152 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000102301_100000210953 [0,0,0,0,0,2|2,0,0]=4 8153 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000210953_100000102301 [0,0,0,0,0,2|2,0,0]=4 8154 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000102301_100000210953 [0,0,0,0,0,2|2,0,0]=4 8155 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000210953_100000102301 [0,0,0,0,0,2|2,0,0]=4 8156 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000102301_100000210953 [0,0,0,0,0,2|2,0,0]=4 8157 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000210953_100000102301 [0,0,0,0,0,2|2,0,0]=4 8158 B11R0.46 CCCCNC(=O)NCC(C)O 2708a_100000102301_100000210904 [0,0,0,0,0,2|1,0,0]=3 8159 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000102301_100000210904 [0,0,0,0,0,2|1,0,0]=3 8160 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000210904_100000102301 [0,0,0,0,0,2|1,0,0]=3 8161 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000102301_100000210904 [0,0,0,0,0,2|1,0,0]=3 8162 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000210904_100000102301 [0,0,0,0,0,2|1,0,0]=3 8163 B11R0.46 CCCCNC(=O)NNC(C)C 273464a_100000102301_100000741168 [0,0,0,0,0,2|2,0,0]=4 8164 B11R0.46 CCCCNC(=O)NNC(C)C 512a_100000102301_100000741168 [0,0,0,0,0,2|2,0,0]=4 8165 B11R0.46 CCCCNC(=O)NNC(C)C 512a_100000741168_100000102301 [0,0,0,0,0,2|2,0,0]=4 8166 B11R0.46 CCCCOC(=O)CNC(C)C 2230a_100138425928_100000211628 [0,0,0,0,0,2|1,0,0]=3 8167 B11R0.46 CCCCOC(=O)CNC(C)C 34a_100138425928_100000211628 [0,0,0,0,0,2|1,0,0]=3 8168 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [0,0,0,0,0,2|1,0,0]=3 8169 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000210206_100000211628 [0,0,0,0,0,2|1,0,0]=3 8170 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000211628_100000210206 [0,0,0,0,0,2|1,0,0]=3 8171 B11R0.46 CCCNNC(=O)NCC(C)O 273464a_100000210904_100000740057 [0,0,0,0,0,2|2,0,0]=4 8172 B11R0.46 CCCNNC(=O)NCC(C)O 512a_100000210904_100000740057 [0,0,0,0,0,2|2,0,0]=4 8173 B11R0.46 CCCNNC(=O)NCC(C)O 512a_100000740057_100000210904 [0,0,0,0,0,2|2,0,0]=4 8174 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,0,0,0,0,2|2,0,0]=4 8175 B11R0.46 CCCOCC(=O)NCC(C)O 11a_100000210904_100000745993 [0,0,0,0,0,2|2,0,0]=4 8176 B11R0.46 CCCOCC(=O)NCC(C)O 240690a_100000210904_100000745993 [0,0,0,0,0,2|2,0,0]=4 8177 B11R0.46 CCCOCC(=O)NCC(C)O 527a_100000210904_100000745993 [0,0,0,0,0,2|2,0,0]=4 8178 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,0,0,0,0,2|2,0,0]=4 8179 B11R0.46 CCCSCC(=O)NCC(C)O 11a_100000210904_100000217233 [0,0,0,0,0,2|2,0,0]=4 8180 B11R0.46 CCCSCC(=O)NCC(C)O 240690a_100000210904_100000217233 [0,0,0,0,0,2|2,0,0]=4 8181 B11R0.46 CCCSCC(=O)NCC(C)O 527a_100000210904_100000217233 [0,0,0,0,0,2|2,0,0]=4 8182 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,0,0,0,0,2|2,0,0]=4 8183 B11R0.46 CCOCCC(=O)NCC(C)O 11a_100000210904_100000749530 [0,0,0,0,0,2|2,0,0]=4 8184 B11R0.46 CCOCCC(=O)NCC(C)O 240690a_100000210904_100000749530 [0,0,0,0,0,2|2,0,0]=4 8185 B11R0.46 CCOCCC(=O)NCC(C)O 527a_100000210904_100000749530 [0,0,0,0,0,2|2,0,0]=4 8186 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,0,0,0,0,2|2,0,0]=4 8187 B11R0.46 CCSCCC(=O)NCC(C)O 11a_100000210904_100000230768 [0,0,0,0,0,2|2,0,0]=4 8188 B11R0.46 CCSCCC(=O)NCC(C)O 240690a_100000210904_100000230768 [0,0,0,0,0,2|2,0,0]=4 8189 B11R0.46 CCSCCC(=O)NCC(C)O 527a_100000210904_100000230768 [0,0,0,0,0,2|2,0,0]=4 8190 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,0,0,0,0,2|2,0,0]=4 8191 B11R0.46 COCCCC(=O)NCC(C)O 11a_100000210904_100000741012 [0,0,0,0,0,2|2,0,0]=4 8192 B11R0.46 COCCCC(=O)NCC(C)O 240690a_100000210904_100000741012 [0,0,0,0,0,2|2,0,0]=4 8193 B11R0.46 COCCCC(=O)NCC(C)O 527a_100000210904_100000741012 [0,0,0,0,0,2|2,0,0]=4 8194 B11R0.46 COCCNC(=O)CCC(C)O 1626a_100000209980_100000718519 [0,0,0,0,0,2|2,0,0]=4 8195 B11R0.46 COCCNC(=O)NCC(C)O 273464a_100000209980_100000210904 [0,0,0,0,0,2|2,0,0]=4 8196 B11R0.46 COCCNC(=O)NCC(C)O 273464a_100000210904_100000209980 [0,0,0,0,0,2|2,0,0]=4 8197 B11R0.46 COCCOC(=O)CNC(C)C 2230a_100138425928_200000040189 [0,0,0,0,0,2|2,0,0]=4 8198 B11R0.46 COCCOC(=O)CNC(C)C 34a_100138425928_200000040189 [0,0,0,0,0,2|2,0,0]=4 8199 B11R0.46 COCCOC(=O)COC(C)C 34a_100000212225_200000040189 [0,0,0,0,0,2|2,0,0]=4 8200 B11R0.46 COCCOC(=O)CSC(C)C 62a_100000210206_200000040189 [0,0,0,0,0,2|2,0,0]=4 8201 B11R0.46 COCCOC(=O)CSC(C)C 62a_200000040189_100000210206 [0,0,0,0,0,2|2,0,0]=4 8202 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,0,0,0,0,2|2,0,0]=4 8203 B11R0.46 CSCCCC(=O)NCC(C)O 11a_100000210904_100000173376 [0,0,0,0,0,2|2,0,0]=4 8204 B11R0.46 CSCCCC(=O)NCC(C)O 240690a_100000210904_100000173376 [0,0,0,0,0,2|2,0,0]=4 8205 B11R0.46 CSCCCC(=O)NCC(C)O 527a_100000210904_100000173376 [0,0,0,0,0,2|2,0,0]=4 8206 B11R0.46 CSCCNC(=O)CCC(C)O 1626a_100020590264_100000718519 [0,0,0,0,0,2|2,0,0]=4 8207 B11R0.46 CSCCNC(=O)NCC(C)O 2708a_100020590264_100000210904 [0,0,0,0,0,2|2,0,0]=4 8208 B11R0.46 CSCCNC(=O)NCC(C)O 273464a_100000210904_100020590264 [0,0,0,0,0,2|2,0,0]=4 8209 B11R0.46 CSCCNC(=O)NCC(C)O 273464a_100020590264_100000210904 [0,0,0,0,0,2|2,0,0]=4 8210 B11R0.46 CSCCNC(=O)NCC(C)O 512a_100000210904_100020590264 [0,0,0,0,0,2|2,0,0]=4 8211 B11R0.46 CSCCNC(=O)NCC(C)O 512a_100020590264_100000210904 [0,0,0,0,0,2|2,0,0]=4